smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(C)c(NC(=O)COc2ccc([N+](=O)[O-])cc2Cl)c(Cl)c1 ZINC000005118541 210082548 /nfs/dbraw/zinc/08/25/48/210082548.db2.gz QFFDLELYYWANDD-UHFFFAOYSA-N 0 0 369.204 4.536 20 5 FJBDRN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(Nc2ccccc2)cc1 ZINC000005338446 204202845 /nfs/dbraw/zinc/20/28/45/204202845.db2.gz QPFYASOVHPEIHC-OVCLIPMQSA-N 0 0 359.385 4.990 20 5 FJBDRN O=[N+]([O-])c1c(Oc2ccc(OCc3ccccc3)cc2)nc2sccn21 ZINC000008308943 204325455 /nfs/dbraw/zinc/32/54/55/204325455.db2.gz WHZLPXWVJCKPCM-UHFFFAOYSA-N 0 0 367.386 4.675 20 5 FJBDRN Cc1ccc(NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000014426884 204580795 /nfs/dbraw/zinc/58/07/95/204580795.db2.gz PHPYYMXYQKOBMI-UHFFFAOYSA-N 0 0 370.352 4.653 20 5 FJBDRN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]1c1cccc2ccccc21 ZINC000056362862 211963326 /nfs/dbraw/zinc/96/33/26/211963326.db2.gz AROOTKYMYRTNHL-NRFANRHFSA-N 0 0 360.413 4.654 20 5 FJBDRN O=C(c1ccccc1)c1ccc(N2CCC[C@@H]2c2cccnc2)c([N+](=O)[O-])c1 ZINC000021760116 204760510 /nfs/dbraw/zinc/76/05/10/204760510.db2.gz CAQBQFRSXWTLAY-LJQANCHMSA-N 0 0 373.412 4.562 20 5 FJBDRN C[C@H](NC(=O)c1cc(F)c(Cl)cc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000055465730 205220053 /nfs/dbraw/zinc/22/00/53/205220053.db2.gz FZJSDAZNJICTLA-QMMMGPOBSA-N 0 0 357.168 4.532 20 5 FJBDRN O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(Oc2cccc(F)c2)cc1 ZINC000059814470 205284145 /nfs/dbraw/zinc/28/41/45/205284145.db2.gz YABBXAKZXHXEOY-UHFFFAOYSA-N 0 0 366.348 4.707 20 5 FJBDRN CCCn1ccc2cc(NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])ccc21 ZINC000072053677 205463021 /nfs/dbraw/zinc/46/30/21/205463021.db2.gz SNCKZVJWFNKBKV-UHFFFAOYSA-N 0 0 357.797 4.865 20 5 FJBDRN CCOC(=O)c1c(C)[nH]c(-c2csc(-c3ccc([N+](=O)[O-])cc3)n2)c1C ZINC000071971775 205458050 /nfs/dbraw/zinc/45/80/50/205458050.db2.gz QTLWIFHUBSZNEZ-UHFFFAOYSA-N 0 0 371.418 4.507 20 5 FJBDRN O=[N+]([O-])c1cc(Cl)ccc1OCc1nnc(-c2ccccc2Cl)o1 ZINC000105738449 206008792 /nfs/dbraw/zinc/00/87/92/206008792.db2.gz PLLVINDQBXAGDG-UHFFFAOYSA-N 0 0 366.160 4.531 20 5 FJBDRN C[C@@H]1C[C@@H](C)CN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C1 ZINC000107754642 206022817 /nfs/dbraw/zinc/02/28/17/206022817.db2.gz WVPDKIGCZQXBAL-HUUCEWRRSA-N 0 0 354.406 4.505 20 5 FJBDRN C[C@H](NC(=O)N[C@@H](c1ccccc1)C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000108465237 206032694 /nfs/dbraw/zinc/03/26/94/206032694.db2.gz GLBOJOFPKNQYLR-KSSFIOAISA-N 0 0 355.438 4.742 20 5 FJBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(F)cc1Cl ZINC000023131246 211378531 /nfs/dbraw/zinc/37/85/31/211378531.db2.gz GJTQFZZBZCXGDG-SECBINFHSA-N 0 0 354.790 4.507 20 5 FJBDRN CCc1cccc(CC)c1NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000023116243 211375515 /nfs/dbraw/zinc/37/55/15/211375515.db2.gz DVKGPORROJQIKD-CYBMUJFWSA-N 0 0 358.463 4.839 20 5 FJBDRN COc1cccc(-c2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)c1OC ZINC000021474188 211314922 /nfs/dbraw/zinc/31/49/22/211314922.db2.gz QXHGRCWAKKPVJM-UHFFFAOYSA-N 0 0 356.403 4.711 20 5 FJBDRN C[C@@H]1CCCN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 ZINC000014064348 211070582 /nfs/dbraw/zinc/07/05/82/211070582.db2.gz ZYYWQFDSYBMLFV-CYBMUJFWSA-N 0 0 374.824 4.913 20 5 FJBDRN C[C@H]1CCCN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 ZINC000014064350 211070594 /nfs/dbraw/zinc/07/05/94/211070594.db2.gz ZYYWQFDSYBMLFV-ZDUSSCGKSA-N 0 0 374.824 4.913 20 5 FJBDRN COc1cc(/C=C/c2ccc3cccc([N+](=O)[O-])c3n2)ccc1OC(F)F ZINC000006320048 210666655 /nfs/dbraw/zinc/66/66/55/210666655.db2.gz WWIPSKAHWNWGAF-VMPITWQZSA-N 0 0 372.327 4.923 20 5 FJBDRN Cc1ccc(C(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)s1 ZINC000071814875 221379501 /nfs/dbraw/zinc/37/95/01/221379501.db2.gz FGLQZECSTXDVLB-UHFFFAOYSA-N 0 0 359.432 4.649 20 5 FJBDRN Cc1ccc(O)c(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)c1 ZINC000072015676 221396136 /nfs/dbraw/zinc/39/61/36/221396136.db2.gz GWDGQDDVXXDXRI-UHFFFAOYSA-N 0 0 364.357 4.653 20 5 FJBDRN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H]1CCc1ccccc1 ZINC000097444913 222181575 /nfs/dbraw/zinc/18/15/75/222181575.db2.gz CGEHMCUNWSNYOV-HNNXBMFYSA-N 0 0 373.840 4.877 20 5 FJBDRN Cc1c2cc(Cl)ccc2oc1C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000108291382 222412667 /nfs/dbraw/zinc/41/26/67/222412667.db2.gz KXBNKSOIVFDGNP-NSHDSACASA-N 0 0 358.781 4.794 20 5 FJBDRN CC(C)(C)c1ncc(NC(=O)c2cc3ccccc3c3cccnc23)cn1 ZINC000109136351 222443534 /nfs/dbraw/zinc/44/35/34/222443534.db2.gz ULKBBQFRRJEPCB-UHFFFAOYSA-N 0 0 356.429 4.728 20 5 FJBDRN CC[C@@H](Nc1cc(C)c([N+](=O)[O-])cc1Br)c1c(C)noc1C ZINC000302695028 567822439 /nfs/dbraw/zinc/82/24/39/567822439.db2.gz SMHILEAYDVXTMG-GFCCVEGCSA-N 0 0 368.231 4.834 20 5 FJBDRN CN(CCc1cccc([N+](=O)[O-])c1)Cc1coc(-c2cccc(Cl)c2)n1 ZINC000568056968 567823321 /nfs/dbraw/zinc/82/33/21/567823321.db2.gz JQEQEHNFICXAMA-UHFFFAOYSA-N 0 0 371.824 4.578 20 5 FJBDRN CC(F)(F)c1ccc(C(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000452860878 567839190 /nfs/dbraw/zinc/83/91/90/567839190.db2.gz SUQWGOFTLJNVBD-MRXNPFEDSA-N 0 0 374.387 4.726 20 5 FJBDRN Cc1oc2ccc(NC(=O)N(C)CCc3ccccc3[N+](=O)[O-])cc2c1C ZINC000481403013 567891076 /nfs/dbraw/zinc/89/10/76/567891076.db2.gz FTPIWLBOZWBNIM-UHFFFAOYSA-N 0 0 367.405 4.664 20 5 FJBDRN CCCCN(Cc1ccccc1F)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000541833709 567930482 /nfs/dbraw/zinc/93/04/82/567930482.db2.gz LAGQCGAWUAVBEJ-UHFFFAOYSA-N 0 0 363.364 4.707 20 5 FJBDRN Cc1c(CNC(=O)[C@@H](C)c2ccc(Cl)c(Cl)c2)cccc1[N+](=O)[O-] ZINC000481468958 567967804 /nfs/dbraw/zinc/96/78/04/567967804.db2.gz XOLZNWWADIMVAS-NSHDSACASA-N 0 0 367.232 4.630 20 5 FJBDRN COc1ccc(CN(C)Cc2c(Cl)cccc2Cl)cc1[N+](=O)[O-] ZINC000063750301 567983471 /nfs/dbraw/zinc/98/34/71/567983471.db2.gz KFTLXGBSDVNXMY-UHFFFAOYSA-N 0 0 355.221 4.542 20 5 FJBDRN CCc1cc(NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)ccc1C ZINC000481519622 568004609 /nfs/dbraw/zinc/00/46/09/568004609.db2.gz UCAIPURNWCRIFU-UHFFFAOYSA-N 0 0 353.422 4.662 20 5 FJBDRN Cc1c(NC(=O)N2CCC[C@H](c3ccc(F)cc3)CC2)cccc1[N+](=O)[O-] ZINC000481602411 568061451 /nfs/dbraw/zinc/06/14/51/568061451.db2.gz WYRJDTRTOOXZHJ-HNNXBMFYSA-N 0 0 371.412 4.844 20 5 FJBDRN Cc1c2ccccc2oc1[C@@H](C)NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000481658240 568082114 /nfs/dbraw/zinc/08/21/14/568082114.db2.gz HHSDRCOHYZTMBM-CYBMUJFWSA-N 0 0 370.430 4.619 20 5 FJBDRN Cc1ccc([N+](=O)[O-])c(NCc2ccccc2COCc2ccccc2)n1 ZINC000481698140 568092193 /nfs/dbraw/zinc/09/21/93/568092193.db2.gz TVMVPCPILXFELU-UHFFFAOYSA-N 0 0 363.417 4.627 20 5 FJBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)C[C@H]2c2ccccc2)c1 ZINC000568679246 568120311 /nfs/dbraw/zinc/12/03/11/568120311.db2.gz WXFKYYNPCQMGSG-UGSOOPFHSA-N 0 0 356.447 4.540 20 5 FJBDRN Cc1ccccc1[C@@H](NC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000481828015 568136452 /nfs/dbraw/zinc/13/64/52/568136452.db2.gz FAYCWJUUSQCHEF-BEFAXECRSA-N 0 0 355.438 4.661 20 5 FJBDRN Cc1ccccc1[C@H](NC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000481828016 568138610 /nfs/dbraw/zinc/13/86/10/568138610.db2.gz FAYCWJUUSQCHEF-DNVCBOLYSA-N 0 0 355.438 4.661 20 5 FJBDRN CC(C)c1nn(C)cc1NCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000481835824 568147831 /nfs/dbraw/zinc/14/78/31/568147831.db2.gz MDCYTUMDHNYMQI-UHFFFAOYSA-N 0 0 374.828 4.977 20 5 FJBDRN O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000481927981 568189274 /nfs/dbraw/zinc/18/92/74/568189274.db2.gz ZZFCTQKVDINYKM-AWEZNQCLSA-N 0 0 357.385 4.536 20 5 FJBDRN Cc1ccc([C@@H](NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000024869471 568202848 /nfs/dbraw/zinc/20/28/48/568202848.db2.gz KDMAWCANXWSGPH-AUUYWEPGSA-N 0 0 370.474 4.651 20 5 FJBDRN Cc1ccc([N+](=O)[O-])c(Nc2cccc(C[S@@](=O)C3CCCCC3)c2)n1 ZINC000481985923 568215685 /nfs/dbraw/zinc/21/56/85/568215685.db2.gz ZNKGRHDTHNHVIB-AREMUKBSSA-N 0 0 373.478 4.623 20 5 FJBDRN C[C@@H]1[C@@H](C(F)(F)F)CCCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000482011399 568226801 /nfs/dbraw/zinc/22/68/01/568226801.db2.gz UJBFHOCTRLZOJZ-SKDRFNHKSA-N 0 0 372.368 4.613 20 5 FJBDRN C[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000482011396 568226815 /nfs/dbraw/zinc/22/68/15/568226815.db2.gz UJBFHOCTRLZOJZ-CABZTGNLSA-N 0 0 372.368 4.613 20 5 FJBDRN C[C@@H](Nc1ccc(-c2ccccc2)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000007224851 568227798 /nfs/dbraw/zinc/22/77/98/568227798.db2.gz SADAFMLXACWGRL-OAHLLOKOSA-N 0 0 361.401 4.701 20 5 FJBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@H](C)c1cc2ccccc2o1 ZINC000482045068 568238228 /nfs/dbraw/zinc/23/82/28/568238228.db2.gz RDTQSRLMNNIGCA-OAHLLOKOSA-N 0 0 366.417 4.882 20 5 FJBDRN C[C@@H](Sc1ccc2ccccc2c1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000005776067 568246559 /nfs/dbraw/zinc/24/65/59/568246559.db2.gz RHWHCIVAYPVHCK-CYBMUJFWSA-N 0 0 352.415 4.867 20 5 FJBDRN Cc1ccc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000007889460 568260868 /nfs/dbraw/zinc/26/08/68/568260868.db2.gz DGNSZUMQXAUZKT-OAQYLSRUSA-N 0 0 373.412 4.670 20 5 FJBDRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1OCc1ccc(C(F)(F)F)cn1 ZINC000568994109 568265398 /nfs/dbraw/zinc/26/53/98/568265398.db2.gz XIOPUUGGEXLWNG-UHFFFAOYSA-N 0 0 366.217 4.606 20 5 FJBDRN CCc1ccc([C@@H]2CCCCCN2C(=O)c2ccc([N+](=O)[O-])cc2F)o1 ZINC000303803677 568277192 /nfs/dbraw/zinc/27/71/92/568277192.db2.gz MBPWMHHVDMYCDC-KRWDZBQOSA-N 0 0 360.385 4.647 20 5 FJBDRN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N([C@H](C)c1ccccc1)C1CC1 ZINC000482115842 568280290 /nfs/dbraw/zinc/28/02/90/568280290.db2.gz WAMQTTGETQXNES-OAHLLOKOSA-N 0 0 353.422 4.969 20 5 FJBDRN O=C(Nc1ccc(SCc2cccnc2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000027120618 568293214 /nfs/dbraw/zinc/29/32/14/568293214.db2.gz QHHRBFBDSOMAQO-UHFFFAOYSA-N 0 0 365.414 4.534 20 5 FJBDRN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1C[C@@H](C)C[C@@H]1c1ccccc1 ZINC000482160020 568297404 /nfs/dbraw/zinc/29/74/04/568297404.db2.gz QTTVKKSSZQTRPN-ORAYPTAESA-N 0 0 353.422 4.827 20 5 FJBDRN COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(Cl)cc2C)cc1SC ZINC000482164165 568299556 /nfs/dbraw/zinc/29/95/56/568299556.db2.gz OVLQGOUVHNPUNS-UHFFFAOYSA-N 0 0 366.826 4.539 20 5 FJBDRN COc1cc(/C=C/c2nc3cc(Cl)ccc3o2)c([N+](=O)[O-])cc1OC ZINC000008321242 568300731 /nfs/dbraw/zinc/30/07/31/568300731.db2.gz ZUFBRHCBBRQBHR-ZZXKWVIFSA-N 0 0 360.753 4.577 20 5 FJBDRN O=C(Nc1cccc(COc2cccc(F)c2)c1)c1ccc([N+](=O)[O-])s1 ZINC000031398432 568331682 /nfs/dbraw/zinc/33/16/82/568331682.db2.gz HLRMOKRGVCCIPQ-UHFFFAOYSA-N 0 0 372.377 4.627 20 5 FJBDRN O=C([C@@H]1Cc2ccccc2S1)N(c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000609483037 568340299 /nfs/dbraw/zinc/34/02/99/568340299.db2.gz RRFCIXIMVJXNGK-IBGZPJMESA-N 0 0 368.458 4.587 20 5 FJBDRN C[C@@H](SCc1csc(-c2ncccn2)n1)c1cccc([N+](=O)[O-])c1 ZINC000517940625 568345692 /nfs/dbraw/zinc/34/56/92/568345692.db2.gz YXUBZXJRJHFPFF-LLVKDONJSA-N 0 0 358.448 4.503 20 5 FJBDRN Cc1cccc([N+](=O)[O-])c1NC(=O)CSc1ccc2ccccc2c1 ZINC000004886380 568375651 /nfs/dbraw/zinc/37/56/51/568375651.db2.gz VTJQUMOAAWJXPV-UHFFFAOYSA-N 0 0 352.415 4.787 20 5 FJBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC(Cc2ccccc2Cl)C1 ZINC000569860728 568431158 /nfs/dbraw/zinc/43/11/58/568431158.db2.gz BPUYUBLBXJPOLY-UHFFFAOYSA-N 0 0 373.840 4.517 20 5 FJBDRN CCOc1ccccc1-c1noc([C@H](CC)Cc2ccc([N+](=O)[O-])cc2)n1 ZINC000569886301 568433848 /nfs/dbraw/zinc/43/38/48/568433848.db2.gz YNXXTEWWCKEMQF-OAHLLOKOSA-N 0 0 367.405 4.780 20 5 FJBDRN CCOc1ccccc1-c1noc([C@@H](CC)Cc2ccc([N+](=O)[O-])cc2)n1 ZINC000569886300 568433867 /nfs/dbraw/zinc/43/38/67/568433867.db2.gz YNXXTEWWCKEMQF-HNNXBMFYSA-N 0 0 367.405 4.780 20 5 FJBDRN CC[C@H](N[C@@H]1CCc2c1cccc2[N+](=O)[O-])c1nc(C(F)(F)F)cs1 ZINC000570176104 568459353 /nfs/dbraw/zinc/45/93/53/568459353.db2.gz ORIGRJGLIIBMAO-NWDGAFQWSA-N 0 0 371.384 4.798 20 5 FJBDRN C[C@H](C(=O)N1CCCC[C@@H]1c1ccc(F)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000570232816 568463860 /nfs/dbraw/zinc/46/38/60/568463860.db2.gz FOFJCDJEHFJQOI-ORAYPTAESA-N 0 0 374.387 4.730 20 5 FJBDRN Cc1cc2nnc(S[C@H](C)c3cccc([N+](=O)[O-])c3)n2c2ccccc12 ZINC000007199926 568472672 /nfs/dbraw/zinc/47/26/72/568472672.db2.gz VNDLRLLCCACLDW-CYBMUJFWSA-N 0 0 364.430 4.952 20 5 FJBDRN Cc1sc(C(=O)Nc2ccccc2O[C@H](C)C(F)(F)F)cc1[N+](=O)[O-] ZINC000570364119 568480833 /nfs/dbraw/zinc/48/08/33/568480833.db2.gz WLTHGDFLEFODJJ-SECBINFHSA-N 0 0 374.340 4.547 20 5 FJBDRN Cc1cc(Cl)ccc1NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000007471208 568520979 /nfs/dbraw/zinc/52/09/79/568520979.db2.gz OTRLKACSZYAAMJ-NSHDSACASA-N 0 0 350.827 4.676 20 5 FJBDRN C[C@@H](SCc1ccc(Cl)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000007483552 568526831 /nfs/dbraw/zinc/52/68/31/568526831.db2.gz GZFORQGPNKOLHY-LLVKDONJSA-N 0 0 350.827 4.509 20 5 FJBDRN CC[C@H](CN(CC)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)c1ccccc1 ZINC000482252758 568529556 /nfs/dbraw/zinc/52/95/56/568529556.db2.gz MQULNYJWDFULOE-OAHLLOKOSA-N 0 0 365.433 4.732 20 5 FJBDRN COc1cc(/C=C\c2ccc3c(cccc3[N+](=O)[O-])n2)cc(Cl)c1OC ZINC000033658687 568530353 /nfs/dbraw/zinc/53/03/53/568530353.db2.gz MLMCIOYEEMTVSB-SREVYHEPSA-N 0 0 370.792 4.984 20 5 FJBDRN CCn1c(S[C@H](C)c2ccncc2)nc2cc3ccccc3cc2c1=O ZINC000605076743 568554576 /nfs/dbraw/zinc/55/45/76/568554576.db2.gz YQZPXKKWVGDQRI-CQSZACIVSA-N 0 0 361.470 4.818 20 5 FJBDRN C[C@@H](Nc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)c1ccccc1Cl ZINC000108313068 210166235 /nfs/dbraw/zinc/16/62/35/210166235.db2.gz XWYCTVYMOYULNO-CYBMUJFWSA-N 0 0 373.840 4.657 20 5 FJBDRN Cc1c(C(=O)Nc2nc(-c3ccccc3Cl)cs2)cccc1[N+](=O)[O-] ZINC000001791471 210150786 /nfs/dbraw/zinc/15/07/86/210150786.db2.gz UCHQUBBSODBZET-UHFFFAOYSA-N 0 0 373.821 4.932 20 5 FJBDRN Cc1ccc(-c2csc(NC(=O)c3cccc(C)c3[N+](=O)[O-])n2)cc1 ZINC000006341705 210088432 /nfs/dbraw/zinc/08/84/32/210088432.db2.gz JSFGXCIPFGZSPR-UHFFFAOYSA-N 0 0 353.403 4.587 20 5 FJBDRN O=C(CSc1c(Cl)cccc1Cl)Nc1ccccc1[N+](=O)[O-] ZINC000006000524 203813288 /nfs/dbraw/zinc/81/32/88/203813288.db2.gz QFXODQUIOKUQDJ-UHFFFAOYSA-N 0 0 357.218 4.632 20 5 FJBDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2ccccc2)cc1 ZINC000058773645 212014288 /nfs/dbraw/zinc/01/42/88/212014288.db2.gz XBRPXSRBKKKDMK-UHFFFAOYSA-N 0 0 364.357 4.648 20 5 FJBDRN CN(Cc1ccc(Br)cc1)c1ccc([N+](=O)[O-])c2cnccc21 ZINC000023381143 204802835 /nfs/dbraw/zinc/80/28/35/204802835.db2.gz FGXUARNVQALQOT-UHFFFAOYSA-N 0 0 372.222 4.542 20 5 FJBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)c1ccccc1Cl ZINC000023117860 204794913 /nfs/dbraw/zinc/79/49/13/204794913.db2.gz FKSIPZABJRFYKQ-NWDGAFQWSA-N 0 0 364.854 4.606 20 5 FJBDRN COc1ccccc1-c1nc(COc2ccc(C)cc2[N+](=O)[O-])cs1 ZINC000030909909 204914126 /nfs/dbraw/zinc/91/41/26/204914126.db2.gz GNQPYJDSQDTHKB-UHFFFAOYSA-N 0 0 356.403 4.614 20 5 FJBDRN CCOc1cc(CNc2ccc([N+](=O)[O-])cc2Cl)ccc1OC(F)F ZINC000071919645 205030579 /nfs/dbraw/zinc/03/05/79/205030579.db2.gz MKEXXLZLEGKBQE-UHFFFAOYSA-N 0 0 372.755 4.860 20 5 FJBDRN O=C(Nc1ccc(Oc2cccc(F)c2)cc1)c1ccccc1[N+](=O)[O-] ZINC000055949714 205225690 /nfs/dbraw/zinc/22/56/90/205225690.db2.gz OUIPIKFOFVASFA-UHFFFAOYSA-N 0 0 352.321 4.779 20 5 FJBDRN Cc1sc(NC(=O)c2ccccc2[N+](=O)[O-])nc1-c1cccc(Cl)c1 ZINC000040926551 211764286 /nfs/dbraw/zinc/76/42/86/211764286.db2.gz KMRJSPQHMOEOFR-UHFFFAOYSA-N 0 0 373.821 4.932 20 5 FJBDRN O=C(Nc1ccc([N+](=O)[O-])cc1)c1csc(-c2ccc(Cl)cc2)n1 ZINC000105148123 206004447 /nfs/dbraw/zinc/00/44/47/206004447.db2.gz WCPGUWUQFYABIT-UHFFFAOYSA-N 0 0 359.794 4.624 20 5 FJBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(Sc2ccccn2)cc1 ZINC000109685541 206060861 /nfs/dbraw/zinc/06/08/61/206060861.db2.gz ZEENZSGJIUZVBD-UHFFFAOYSA-N 0 0 365.414 4.702 20 5 FJBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Sc1ccc(C(C)C)cc1 ZINC000027681753 211471930 /nfs/dbraw/zinc/47/19/30/211471930.db2.gz RQMRIFSUYRTMJZ-ZDUSSCGKSA-N 0 0 374.462 4.846 20 5 FJBDRN CCOc1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1[N+](=O)[O-] ZINC000019005870 211199322 /nfs/dbraw/zinc/19/93/22/211199322.db2.gz IOQUQJRENMAYCZ-UHFFFAOYSA-N 0 0 355.177 4.553 20 5 FJBDRN C[C@@H](Sc1ccc(F)c(F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000017982506 211188545 /nfs/dbraw/zinc/18/85/45/211188545.db2.gz HLXRGLCFJGFOOX-MRVPVSSYSA-N 0 0 372.780 4.646 20 5 FJBDRN CCCOc1cc(NC(=O)c2cccc(C)c2)c([N+](=O)[O-])cc1OCCC ZINC000017741879 211186092 /nfs/dbraw/zinc/18/60/92/211186092.db2.gz LXYOAPIANHFUHI-UHFFFAOYSA-N 0 0 372.421 4.733 20 5 FJBDRN Cc1nc(-c2cccs2)sc1C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000017335377 211184743 /nfs/dbraw/zinc/18/47/43/211184743.db2.gz TYSFNEQGFWGLEO-UHFFFAOYSA-N 0 0 359.432 4.649 20 5 FJBDRN CCc1cccc(CC)c1NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000015960752 211150481 /nfs/dbraw/zinc/15/04/81/211150481.db2.gz JLEASRXUNVAVIB-UHFFFAOYSA-N 0 0 353.422 4.546 20 5 FJBDRN O=C(Nc1nc(-c2ccccc2Cl)cs1)c1ccccc1[N+](=O)[O-] ZINC000014375624 211090889 /nfs/dbraw/zinc/09/08/89/211090889.db2.gz UCVAKIHVSPRLIQ-UHFFFAOYSA-N 0 0 359.794 4.624 20 5 FJBDRN CC(C)c1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)c2ccccc2n1 ZINC000104906327 222362885 /nfs/dbraw/zinc/36/28/85/222362885.db2.gz OBODDVGEFLESHY-UHFFFAOYSA-N 0 0 353.353 4.658 20 5 FJBDRN CCCN(C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CCc2ccccc2C1 ZINC000108952098 222433288 /nfs/dbraw/zinc/43/32/88/222433288.db2.gz LYDHHTYUPSZENO-KRWDZBQOSA-N 0 0 372.852 4.658 20 5 FJBDRN Cc1cccc(C(=O)Nc2ccc(NC3CCCCC3)cc2)c1[N+](=O)[O-] ZINC000109895152 222475060 /nfs/dbraw/zinc/47/50/60/222475060.db2.gz YEKPLGBLJIVGQQ-UHFFFAOYSA-N 0 0 353.422 4.900 20 5 FJBDRN O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000541786151 567832806 /nfs/dbraw/zinc/83/28/06/567832806.db2.gz ZDFBESBTMZOZTR-MRXNPFEDSA-N 0 0 363.776 4.756 20 5 FJBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000481388604 567881776 /nfs/dbraw/zinc/88/17/76/567881776.db2.gz FMIDDAHZAZAFFZ-NSHGMRRFSA-N 0 0 365.433 4.703 20 5 FJBDRN O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)c2cccnc12 ZINC000602246378 567959298 /nfs/dbraw/zinc/95/92/98/567959298.db2.gz QQMZXTPYTTZQSX-UHFFFAOYSA-N 0 0 373.821 4.527 20 5 FJBDRN C/C=C/c1ccc(NC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)cc1 ZINC000568560307 568051553 /nfs/dbraw/zinc/05/15/53/568051553.db2.gz SFQYPZAIHGVMHM-DUXPYHPUSA-N 0 0 350.296 4.899 20 5 FJBDRN Cc1sc(C(=O)N[C@@H](c2ccccc2)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000481658870 568081550 /nfs/dbraw/zinc/08/15/50/568081550.db2.gz PBAAMTPMKJIKQB-SFHVURJKSA-N 0 0 370.405 4.623 20 5 FJBDRN Cc1c(C(=O)N[C@@H](c2ccccc2)c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000481739694 568099776 /nfs/dbraw/zinc/09/97/76/568099776.db2.gz IZCOHPDEXDEEEI-FQEVSTJZSA-N 0 0 364.376 4.562 20 5 FJBDRN O=C(c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)N1CC[C@@H](C2CC2)C1 ZINC000481804309 568131886 /nfs/dbraw/zinc/13/18/86/568131886.db2.gz DLOBLIBKAJANQX-MRXNPFEDSA-N 0 0 368.458 4.618 20 5 FJBDRN Cc1ccccc1[C@@H](NC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000481828018 568138633 /nfs/dbraw/zinc/13/86/33/568138633.db2.gz FAYCWJUUSQCHEF-KXBFYZLASA-N 0 0 355.438 4.661 20 5 FJBDRN O=C(Nc1ccc(Cl)cc1Cl)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000603726234 568143255 /nfs/dbraw/zinc/14/32/55/568143255.db2.gz KADYUHKOGSHHGJ-UHFFFAOYSA-N 0 0 351.145 4.900 20 5 FJBDRN Cc1ccc(NC(=O)COc2ccc(-c3ccccc3)cc2[N+](=O)[O-])cc1 ZINC000517912411 568144806 /nfs/dbraw/zinc/14/48/06/568144806.db2.gz GTORRFXXXRDIIZ-UHFFFAOYSA-N 0 0 362.385 4.588 20 5 FJBDRN Cc1cc(N2CCCC2)ccc1NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000603730621 568144821 /nfs/dbraw/zinc/14/48/21/568144821.db2.gz VJWTULIOPDUBDL-UHFFFAOYSA-N 0 0 365.389 4.502 20 5 FJBDRN O=[N+]([O-])c1ccc2sc(/C=C\c3csc(-c4ccccn4)n3)nc2c1 ZINC000603748382 568150071 /nfs/dbraw/zinc/15/00/71/568150071.db2.gz NOIBRUDTDZUGIQ-DAXSKMNVSA-N 0 0 366.427 4.893 20 5 FJBDRN Cc1ccc(-n2ncc(NC(=O)c3ccc([N+](=O)[O-])s3)c2C(C)C)cc1 ZINC000481855420 568162981 /nfs/dbraw/zinc/16/29/81/568162981.db2.gz DRXBDZXYZNILKD-UHFFFAOYSA-N 0 0 370.434 4.526 20 5 FJBDRN O=[N+]([O-])c1cc(-c2ccccc2)ccc1OCc1nc(-c2ccccc2)no1 ZINC000517912569 568165955 /nfs/dbraw/zinc/16/59/55/568165955.db2.gz VTVNSFWCWJARPF-UHFFFAOYSA-N 0 0 373.368 4.891 20 5 FJBDRN Cc1nc([C@@H](C)Oc2cccnc2[N+](=O)[O-])oc1-c1ccc(Cl)cc1 ZINC000128698133 568175010 /nfs/dbraw/zinc/17/50/10/568175010.db2.gz HNJJCTSSDDFLMJ-LLVKDONJSA-N 0 0 359.769 4.747 20 5 FJBDRN Cc1cc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)c(Cl)cc1F ZINC000584679010 568197609 /nfs/dbraw/zinc/19/76/09/568197609.db2.gz OYTXLUKDHUPCLT-UHFFFAOYSA-N 0 0 368.767 4.751 20 5 FJBDRN Cc1ccc(Cl)cc1NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000007399002 568231429 /nfs/dbraw/zinc/23/14/29/568231429.db2.gz IPEHGWUHNAFFRL-LLVKDONJSA-N 0 0 350.827 4.676 20 5 FJBDRN Cc1cccc2sc(NC(=O)[C@H](C)Sc3ccc([N+](=O)[O-])cc3)nc21 ZINC000007472655 568234706 /nfs/dbraw/zinc/23/47/06/568234706.db2.gz JKYHDUSHWWFAFW-NSHDSACASA-N 0 0 373.459 4.632 20 5 FJBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Cl)cc1F ZINC000007474755 568234837 /nfs/dbraw/zinc/23/48/37/568234837.db2.gz WSXIBXZNSSMNEJ-SECBINFHSA-N 0 0 354.790 4.507 20 5 FJBDRN COc1ccc([C@@H](C)Nc2ccc([N+](=O)[O-])c3cnccc23)c(C)c1OC ZINC000568863420 568237707 /nfs/dbraw/zinc/23/77/07/568237707.db2.gz XPCYICUUJIINLR-CYBMUJFWSA-N 0 0 367.405 4.642 20 5 FJBDRN COc1cc([C@@H](C)Nc2nc(C)cc(C)c2[N+](=O)[O-])ccc1OC(C)C ZINC000541936546 568257396 /nfs/dbraw/zinc/25/73/96/568257396.db2.gz ONICTTMIPWWUNR-CQSZACIVSA-N 0 0 359.426 4.576 20 5 FJBDRN Cc1cc(C)c([N+](=O)[O-])c(N[C@H](c2cccc(Cl)c2)c2ccccn2)n1 ZINC000541936419 568258334 /nfs/dbraw/zinc/25/83/34/568258334.db2.gz WUBKPCATWSBDBF-QGZVFWFLSA-N 0 0 368.824 4.857 20 5 FJBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2nc(C(F)F)sc2c1 ZINC000568968438 568258548 /nfs/dbraw/zinc/25/85/48/568258548.db2.gz KSDXCTGUUUUZFC-UHFFFAOYSA-N 0 0 363.345 4.703 20 5 FJBDRN CSc1ccc(-c2nc(CCCc3ccccc3)no2)cc1[N+](=O)[O-] ZINC000609475392 568324909 /nfs/dbraw/zinc/32/49/09/568324909.db2.gz XIVIRFGSUYXDPU-UHFFFAOYSA-N 0 0 355.419 4.542 20 5 FJBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc(-c2cccc3[nH]ccc32)no1 ZINC000569288644 568334719 /nfs/dbraw/zinc/33/47/19/568334719.db2.gz VPUSYPOPBVVWKD-AWEZNQCLSA-N 0 0 362.389 4.862 20 5 FJBDRN Cc1ccc(-c2nc(COc3ccc([N+](=O)[O-])cc3Cl)cs2)o1 ZINC000032322207 568386471 /nfs/dbraw/zinc/38/64/71/568386471.db2.gz MAPIHIOYFWJLMU-UHFFFAOYSA-N 0 0 350.783 4.852 20 5 FJBDRN Cc1ccc(NC(=O)c2cccnc2Sc2ccccc2)cc1[N+](=O)[O-] ZINC000032517048 568393713 /nfs/dbraw/zinc/39/37/13/568393713.db2.gz CXFTVQJKLZPIHJ-UHFFFAOYSA-N 0 0 365.414 4.702 20 5 FJBDRN Cc1ccc(NC(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)c(C)c1 ZINC000006124979 568395990 /nfs/dbraw/zinc/39/59/90/568395990.db2.gz PJZKTNZHAHDZLM-HNNXBMFYSA-N 0 0 367.449 4.700 20 5 FJBDRN CSc1ccc(-c2nc(Cc3cc4ccccc4o3)no2)cc1[N+](=O)[O-] ZINC000569387743 568400107 /nfs/dbraw/zinc/40/01/07/568400107.db2.gz CVTPPZUSEORZFE-UHFFFAOYSA-N 0 0 367.386 4.704 20 5 FJBDRN C[C@@H](C(=O)N1CCC(c2ccc(Cl)cc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000569547547 568404409 /nfs/dbraw/zinc/40/44/09/568404409.db2.gz OCUQCRCWJYDUKO-CQSZACIVSA-N 0 0 372.852 4.758 20 5 FJBDRN CCc1nn(C)c(Nc2ccc(N[C@H](C)c3ccccc3)cc2)c1[N+](=O)[O-] ZINC000569881585 568433185 /nfs/dbraw/zinc/43/31/85/568433185.db2.gz HTWZYOJMWDMUDL-CQSZACIVSA-N 0 0 365.437 4.807 20 5 FJBDRN CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1sccc1-c1ccccc1 ZINC000569914989 568436372 /nfs/dbraw/zinc/43/63/72/568436372.db2.gz SRKDYRBPLTUEKB-UHFFFAOYSA-N 0 0 366.442 4.638 20 5 FJBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@H](C)C[C@@H]1c1ccccc1 ZINC000570012474 568449613 /nfs/dbraw/zinc/44/96/13/568449613.db2.gz LMFBWIYDCVZOBU-AUUYWEPGSA-N 0 0 353.422 4.772 20 5 FJBDRN CSc1ccc(CN[C@@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)cc1 ZINC000570169435 568455377 /nfs/dbraw/zinc/45/53/77/568455377.db2.gz VFSJIFQTAHMNHO-HNNXBMFYSA-N 0 0 356.369 4.710 20 5 FJBDRN CC(C)c1ccc(CN[C@@H](C)c2nccn2-c2ccccc2)cc1[N+](=O)[O-] ZINC000570313264 568466628 /nfs/dbraw/zinc/46/66/28/568466628.db2.gz LKHCEPQNDIHLRX-INIZCTEOSA-N 0 0 364.449 4.755 20 5 FJBDRN CCOc1ccc(C(=O)Nc2ccc3oc(C(C)C)nc3c2)cc1[N+](=O)[O-] ZINC000033216796 568470849 /nfs/dbraw/zinc/47/08/49/568470849.db2.gz ZZMPKZXCBOPPTA-UHFFFAOYSA-N 0 0 369.377 4.510 20 5 FJBDRN COc1ccc(-c2nnc(S[C@H](C)c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000007220766 568478548 /nfs/dbraw/zinc/47/85/48/568478548.db2.gz LOPSCLCSMFVREX-LLVKDONJSA-N 0 0 357.391 4.507 20 5 FJBDRN Cc1ccc(OCc2ccc(C(=O)Nc3ccccc3)cc2)c([N+](=O)[O-])c1 ZINC000007465577 568519641 /nfs/dbraw/zinc/51/96/41/568519641.db2.gz NXVGXKBKARYNAT-UHFFFAOYSA-N 0 0 362.385 4.735 20 5 FJBDRN O=[N+]([O-])c1ccc(OCc2nc(-c3ccc(Cl)cc3)no2)c(Cl)c1 ZINC000007511126 568525528 /nfs/dbraw/zinc/52/55/28/568525528.db2.gz BEJROQGDHMGBIH-UHFFFAOYSA-N 0 0 366.160 4.531 20 5 FJBDRN C[C@@H](NC(=O)N1CC(C)(C)[C@H]1c1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000482247717 568532966 /nfs/dbraw/zinc/53/29/66/568532966.db2.gz XDUCGRIIEVNCEO-MLGOLLRUSA-N 0 0 359.451 4.510 20 5 FJBDRN C[C@H](Sc1ccc(F)c(Cl)c1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000007582863 568534376 /nfs/dbraw/zinc/53/43/76/568534376.db2.gz YQBRCGWIVNPEQR-VIFPVBQESA-N 0 0 354.790 4.507 20 5 FJBDRN CC(C)c1cccc(C(C)C)c1NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000006061024 210088277 /nfs/dbraw/zinc/08/82/77/210088277.db2.gz QGTLHEYPQHXLKP-UHFFFAOYSA-N 0 0 356.422 4.859 20 5 FJBDRN O=[N+]([O-])c1ncccc1Oc1nc(C2CC2)nc2sc3c(c21)CCCC3 ZINC000057825165 210070619 /nfs/dbraw/zinc/07/06/19/210070619.db2.gz WYSPRBLXTQCZIT-UHFFFAOYSA-N 0 0 368.418 4.543 20 5 FJBDRN CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000059811908 212018908 /nfs/dbraw/zinc/01/89/08/212018908.db2.gz BSJUQBCLDXYOMA-UHFFFAOYSA-N 0 0 353.205 4.564 20 5 FJBDRN CSc1ccc(Cl)c(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000047220963 211848768 /nfs/dbraw/zinc/84/87/68/211848768.db2.gz ASYTWGYPIUXBLD-UHFFFAOYSA-N 0 0 357.218 4.876 20 5 FJBDRN CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000059781878 205282081 /nfs/dbraw/zinc/28/20/81/205282081.db2.gz MTMGNJICAPACTA-UHFFFAOYSA-N 0 0 367.232 4.952 20 5 FJBDRN COc1ccc2cc([C@H](C)C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)ccc2c1 ZINC000060526174 205285614 /nfs/dbraw/zinc/28/56/14/205285614.db2.gz RGGDFPYQDPQEIK-AWEZNQCLSA-N 0 0 364.401 4.807 20 5 FJBDRN Cn1ccnc1C(=O)c1ccc(Oc2ccc3ccccc3c2)c([N+](=O)[O-])c1 ZINC000078987750 205635255 /nfs/dbraw/zinc/63/52/55/205635255.db2.gz FBMCZBKZCRASND-UHFFFAOYSA-N 0 0 373.368 4.505 20 5 FJBDRN C[C@H](NC(=O)C1(c2ccc(Cl)cc2)CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000108455113 206033007 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Cc1cccc(C(C)C)c1NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000014739404 211100574 /nfs/dbraw/zinc/10/05/74/211100574.db2.gz RYCGWJCVAKLJJJ-UHFFFAOYSA-N 0 0 353.422 4.853 20 5 FJBDRN Cc1cc(C)c(-c2csc(NC(=O)c3ccc([N+](=O)[O-])cc3)n2)cc1C ZINC000006260858 210664605 /nfs/dbraw/zinc/66/46/05/210664605.db2.gz XMJCJLGLDUAPHS-UHFFFAOYSA-N 0 0 367.430 4.896 20 5 FJBDRN Cc1ccc(NC(=O)N2CCC[C@H]2c2ccccc2Cl)cc1[N+](=O)[O-] ZINC000071943358 221388807 /nfs/dbraw/zinc/38/88/07/221388807.db2.gz YLDBLOWOFRRBKX-INIZCTEOSA-N 0 0 359.813 4.926 20 5 FJBDRN O=C(Nc1ccc(Oc2ccc(Cl)cc2)nc1)c1ccc([N+](=O)[O-])cc1 ZINC000072028556 221396842 /nfs/dbraw/zinc/39/68/42/221396842.db2.gz CPEHSYUQGPGKCR-UHFFFAOYSA-N 0 0 369.764 4.688 20 5 FJBDRN Cc1cc(N2CCC([C@H](O)c3ccc(Cl)cc3)CC2)ccc1[N+](=O)[O-] ZINC000078582962 132377251 /nfs/dbraw/zinc/37/72/51/132377251.db2.gz FKYFKASBBGODSW-LJQANCHMSA-N 0 0 360.841 4.507 20 5 FJBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H](C)c2ccccc21 ZINC000031782851 132923323 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CC(C)c1cccc(N(C)C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)c1 ZINC000517903596 567896671 /nfs/dbraw/zinc/89/66/71/567896671.db2.gz GSPOABIXZHTSHO-UHFFFAOYSA-N 0 0 353.422 4.569 20 5 FJBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)N(CC)Cc1ccc(Cl)s1 ZINC000568145938 567941434 /nfs/dbraw/zinc/94/14/34/567941434.db2.gz VENWGNUTKFHHAO-UHFFFAOYSA-N 0 0 367.858 4.926 20 5 FJBDRN Cc1c(CNC(=O)c2sccc2-c2ccccc2)cccc1[N+](=O)[O-] ZINC000481465906 567966295 /nfs/dbraw/zinc/96/62/95/567966295.db2.gz KUXLIJAQXVDLIL-UHFFFAOYSA-N 0 0 352.415 4.562 20 5 FJBDRN Cc1c(CNC(=O)c2ccc(C(F)(F)F)cc2Cl)cccc1[N+](=O)[O-] ZINC000481475182 567977480 /nfs/dbraw/zinc/97/74/80/567977480.db2.gz RMUXSEQMOMPHCC-UHFFFAOYSA-N 0 0 372.730 4.505 20 5 FJBDRN Cc1ccc(C[C@H]2CCCN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3)C2)cc1 ZINC000568442220 568038334 /nfs/dbraw/zinc/03/83/34/568038334.db2.gz ZBBGMKVGPCQRHE-MRXNPFEDSA-N 0 0 372.852 4.652 20 5 FJBDRN O=[N+]([O-])c1ccccc1-c1ccc(CN[C@H]2CSc3ccccc32)o1 ZINC000522756130 568038470 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C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc2sccc2c1 ZINC000568689654 568123324 /nfs/dbraw/zinc/12/33/24/568123324.db2.gz WTXLKICGLSHDMF-GFCCVEGCSA-N 0 0 372.471 4.607 20 5 FJBDRN CC(C)(C)c1ccc(NC(=O)c2ccncc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000568733108 568145008 /nfs/dbraw/zinc/14/50/08/568145008.db2.gz FHBZEPKXWKDKPC-UHFFFAOYSA-N 0 0 367.327 4.558 20 5 FJBDRN Cc1c2ccccc2oc1[C@@H](C)NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000481839905 568145511 /nfs/dbraw/zinc/14/55/11/568145511.db2.gz MXDMHOHOQABRES-GFCCVEGCSA-N 0 0 372.808 4.723 20 5 FJBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(C2CC2)cc1 ZINC000481859961 568162840 /nfs/dbraw/zinc/16/28/40/568162840.db2.gz XZEIVXLYXHKMBP-UHFFFAOYSA-N 0 0 356.447 4.514 20 5 FJBDRN Cc1nc([C@H](C)Oc2cccnc2[N+](=O)[O-])oc1-c1ccc(Cl)cc1 ZINC000128698327 568174998 /nfs/dbraw/zinc/17/49/98/568174998.db2.gz HNJJCTSSDDFLMJ-NSHDSACASA-N 0 0 359.769 4.747 20 5 FJBDRN Cc1cc(OCc2cccc(C(=O)Nc3ccccc3)c2)ccc1[N+](=O)[O-] ZINC000603938382 568184428 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4.724 20 5 FJBDRN O=[N+]([O-])c1ccccc1-c1ccc(CNc2cccc(CCCO)c2)s1 ZINC000541923030 568231164 /nfs/dbraw/zinc/23/11/64/568231164.db2.gz XCMSRDYAFXEDGF-UHFFFAOYSA-N 0 0 368.458 4.860 20 5 FJBDRN CCOc1ccc(C(=O)N[C@H](C)c2cccc3ccccc32)cc1[N+](=O)[O-] ZINC000019006019 568261462 /nfs/dbraw/zinc/26/14/62/568261462.db2.gz VNUHTCUPTITBGC-CQSZACIVSA-N 0 0 364.401 4.638 20 5 FJBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(COc2ccccc2)cc1 ZINC000019160904 568261643 /nfs/dbraw/zinc/26/16/43/568261643.db2.gz ODCMONKOKMYGBX-UHFFFAOYSA-N 0 0 362.385 4.735 20 5 FJBDRN O=C(c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)N1CCCCC1 ZINC000008181020 568279936 /nfs/dbraw/zinc/27/99/36/568279936.db2.gz FFXIGCHOYWZOCM-UHFFFAOYSA-N 0 0 360.797 4.667 20 5 FJBDRN Cc1c(NC(=O)c2ccc(OCc3ccccc3)cc2)cccc1[N+](=O)[O-] ZINC000008267718 568285521 /nfs/dbraw/zinc/28/55/21/568285521.db2.gz CRBDBXBFULLJSI-UHFFFAOYSA-N 0 0 362.385 4.735 20 5 FJBDRN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1C[C@H](C)C[C@H]1c1ccccc1 ZINC000482160021 568297384 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Cc1ccc(C(=O)C2CCN(Cc3ccc([N+](=O)[O-])cc3Cl)CC2)cc1 ZINC000542000084 568377930 /nfs/dbraw/zinc/37/79/30/568377930.db2.gz BQFFUPKFZPQHAW-UHFFFAOYSA-N 0 0 372.852 4.652 20 5 FJBDRN COc1ccc(NC(=O)c2sccc2-c2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000542001011 568394100 /nfs/dbraw/zinc/39/41/00/568394100.db2.gz UUOHROUPNOJNNT-UHFFFAOYSA-N 0 0 368.414 4.893 20 5 FJBDRN O=[N+]([O-])c1ccc(CSCc2nc(-c3cccs3)no2)c(Cl)c1 ZINC000542003661 568398129 /nfs/dbraw/zinc/39/81/29/568398129.db2.gz CJLNXSDPBACJOJ-UHFFFAOYSA-N 0 0 367.839 4.793 20 5 FJBDRN C[C@H](C(=O)N(C)Cc1cccc(Cl)c1Cl)c1cccc([N+](=O)[O-])c1 ZINC000569537350 568406596 /nfs/dbraw/zinc/40/65/96/568406596.db2.gz KZKRJGWGMZOGPC-NSHDSACASA-N 0 0 367.232 4.664 20 5 FJBDRN COc1cc(Cl)ccc1CN[C@@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000569816931 568427191 /nfs/dbraw/zinc/42/71/91/568427191.db2.gz DOFXEQVSGNGVMB-HNNXBMFYSA-N 0 0 374.746 4.650 20 5 FJBDRN Cc1c2ccccc2oc1[C@@H](C)Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000302731103 568428293 /nfs/dbraw/zinc/42/82/93/568428293.db2.gz SOOOECPXPQIYTF-GFCCVEGCSA-N 0 0 365.389 4.707 20 5 FJBDRN CCCC1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000570228905 568463758 /nfs/dbraw/zinc/46/37/58/568463758.db2.gz TWRIVOUUBFVRGM-UHFFFAOYSA-N 0 0 358.360 4.702 20 5 FJBDRN O=C(N[C@H]1CC=C(c2ccc(F)cc2)CC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000482233491 568487022 /nfs/dbraw/zinc/48/70/22/568487022.db2.gz RXFFPVLDRWZRHX-INIZCTEOSA-N 0 0 374.799 4.753 20 5 FJBDRN CN(CCc1ccccc1[N+](=O)[O-])C(=O)[C@H]1C[C@H]1c1cccc2ccccc21 ZINC000570747027 568515619 /nfs/dbraw/zinc/51/56/19/568515619.db2.gz CMFNKUHGPXJBQV-SFTDATJTSA-N 0 0 374.440 4.553 20 5 FJBDRN C[C@H](SCc1ccc(Cl)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000007483551 568526789 /nfs/dbraw/zinc/52/67/89/568526789.db2.gz GZFORQGPNKOLHY-NSHDSACASA-N 0 0 350.827 4.509 20 5 FJBDRN O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000008286732 210096616 /nfs/dbraw/zinc/09/66/16/210096616.db2.gz ACPFTVPWTIFOJP-UHFFFAOYSA-N 0 0 366.204 4.728 20 5 FJBDRN Cc1ccc(-c2csc(NC(=O)c3cccc([N+](=O)[O-])c3C)n2)cc1C ZINC000006967566 203815069 /nfs/dbraw/zinc/81/50/69/203815069.db2.gz SXTUYWYCWLLOLW-UHFFFAOYSA-N 0 0 367.430 4.896 20 5 FJBDRN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H]1C1CCCCC1 ZINC000071939853 205454160 /nfs/dbraw/zinc/45/41/60/205454160.db2.gz UFNRTQZQLQYSDK-MRXNPFEDSA-N 0 0 351.834 4.825 20 5 FJBDRN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H]1C1CCCCC1 ZINC000071939854 205454165 /nfs/dbraw/zinc/45/41/65/205454165.db2.gz UFNRTQZQLQYSDK-INIZCTEOSA-N 0 0 351.834 4.825 20 5 FJBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)CC(C)(C)c2ccccc2)c1 ZINC000109208870 206049765 /nfs/dbraw/zinc/04/97/65/206049765.db2.gz SQWQNPKKQONIRH-AWEZNQCLSA-N 0 0 372.490 4.803 20 5 FJBDRN O=C(N[C@@H](c1ccccc1)c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])s1 ZINC000021840639 211327874 /nfs/dbraw/zinc/32/78/74/211327874.db2.gz GNHXXIILLUENSY-KRWDZBQOSA-N 0 0 372.833 4.829 20 5 FJBDRN Cc1ccc(S[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1C ZINC000016552216 211163350 /nfs/dbraw/zinc/16/33/50/211163350.db2.gz UMCQZECKSBIEEI-GFCCVEGCSA-N 0 0 364.854 4.984 20 5 FJBDRN Cc1ccc(-c2nc(C(=O)Nc3cccc([N+](=O)[O-])c3C)cs2)cc1 ZINC000015661248 211135614 /nfs/dbraw/zinc/13/56/14/211135614.db2.gz MTOZSHXWMFBNAS-UHFFFAOYSA-N 0 0 353.403 4.587 20 5 FJBDRN O=[N+]([O-])c1cc(NC(=S)Nc2ccc(F)c(Cl)c2)ccc1Cl ZINC000013812087 211061020 /nfs/dbraw/zinc/06/10/20/211061020.db2.gz VXTRHHIXBVONCK-UHFFFAOYSA-N 0 0 360.197 4.850 20 5 FJBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000072042902 221399156 /nfs/dbraw/zinc/39/91/56/221399156.db2.gz ZWPRWQNRJNMDMK-UHFFFAOYSA-N 0 0 368.389 4.587 20 5 FJBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Cl)c(F)c1 ZINC000071930701 221388133 /nfs/dbraw/zinc/38/81/33/221388133.db2.gz FLXJLKDBHZALCZ-VIFPVBQESA-N 0 0 354.790 4.507 20 5 FJBDRN CC(=O)Nc1ccc(NC(=O)c2cc3ccccc3c3cccnc23)cc1 ZINC000107512340 222396180 /nfs/dbraw/zinc/39/61/80/222396180.db2.gz JVTFAOADSGTJRW-UHFFFAOYSA-N 0 0 355.397 4.599 20 5 FJBDRN CCCn1ccc2cc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)ccc21 ZINC000109847874 222472585 /nfs/dbraw/zinc/47/25/85/222472585.db2.gz NRXGYHMUJHVGQR-UHFFFAOYSA-N 0 0 357.797 4.865 20 5 FJBDRN C[C@H](S[C@H]1CCCc2ccccc21)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000110307984 222482140 /nfs/dbraw/zinc/48/21/40/222482140.db2.gz CETNUXHQURZQCS-UGSOOPFHSA-N 0 0 356.447 4.733 20 5 FJBDRN O=C(CC/C=C\c1ccccc1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000452859185 567818913 /nfs/dbraw/zinc/81/89/13/567818913.db2.gz SIBHPMDKANPESL-BUSNORKWSA-N 0 0 364.445 4.794 20 5 FJBDRN O=[N+]([O-])c1cc(CS[C@@H]2CCc3ccc(F)cc32)c2c(c1)COCO2 ZINC000481371328 567822848 /nfs/dbraw/zinc/82/28/48/567822848.db2.gz JIKINVZRALHNDA-QGZVFWFLSA-N 0 0 361.394 4.521 20 5 FJBDRN C[C@H](Sc1nnc(-c2cccc(Cl)c2)n1C)c1ccccc1[N+](=O)[O-] ZINC000481368352 567824145 /nfs/dbraw/zinc/82/41/45/567824145.db2.gz FRSYSTHGVGULDL-NSHDSACASA-N 0 0 374.853 4.897 20 5 FJBDRN COc1ccc([N+](=O)[O-])c(C(=O)N([C@H](C)c2ccc(Cl)cc2)C2CC2)c1 ZINC000517899735 567833510 /nfs/dbraw/zinc/83/35/10/567833510.db2.gz PFPOLLWIPFXTMN-GFCCVEGCSA-N 0 0 374.824 4.623 20 5 FJBDRN C[C@@H](c1cccc(Cl)c1)N(C)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000541787853 567833824 /nfs/dbraw/zinc/83/38/24/567833824.db2.gz YHNIAUNPWORTMB-JTQLQIEISA-N 0 0 351.765 4.612 20 5 FJBDRN Cc1c(NC(=O)N2C[C@H](c3ccccc3)[C@H]3CCC[C@@H]32)cccc1[N+](=O)[O-] ZINC000568076789 567850425 /nfs/dbraw/zinc/85/04/25/567850425.db2.gz XXRBHUKMACKKKD-HLIPFELVSA-N 0 0 365.433 4.703 20 5 FJBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CNc1cccc(C(F)F)c1Cl ZINC000541798057 567856949 /nfs/dbraw/zinc/85/69/49/567856949.db2.gz YNWGPTUTYDMLJY-UHFFFAOYSA-N 0 0 369.755 4.545 20 5 FJBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)c1nc([C@@H](C)Oc2ccccc2)no1 ZINC000568077870 567860158 /nfs/dbraw/zinc/86/01/58/567860158.db2.gz UNJPYHSRHHMPRJ-GDBMZVCRSA-N 0 0 367.405 4.854 20 5 FJBDRN O=C(Nc1nccc2sccc21)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000461102801 567944584 /nfs/dbraw/zinc/94/45/84/567944584.db2.gz PZCMZYRQHAKJBD-UHFFFAOYSA-N 0 0 355.400 4.672 20 5 FJBDRN Cc1ccc([N+](=O)[O-])cc1[C@H](C)Nc1cnn(CC(C)C)c1C(F)F ZINC000541847677 567959287 /nfs/dbraw/zinc/95/92/87/567959287.db2.gz MAPZEZSBDCLECZ-LBPRGKRZSA-N 0 0 352.385 4.866 20 5 FJBDRN CC(F)(F)c1ccc(C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000481553100 568050131 /nfs/dbraw/zinc/05/01/31/568050131.db2.gz YFFKPDKXRVAIKV-UHFFFAOYSA-N 0 0 360.360 4.511 20 5 FJBDRN C/C=C\c1ccc(NC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)cc1 ZINC000568560308 568051512 /nfs/dbraw/zinc/05/15/12/568051512.db2.gz SFQYPZAIHGVMHM-RQOWECAXSA-N 0 0 350.296 4.899 20 5 FJBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000481588623 568063568 /nfs/dbraw/zinc/06/35/68/568063568.db2.gz YLVAWOIXEVJXNQ-OAHLLOKOSA-N 0 0 371.412 4.844 20 5 FJBDRN Cc1ccc(NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c(Cl)c1 ZINC000120377368 568070773 /nfs/dbraw/zinc/07/07/73/568070773.db2.gz NIGPMXZUOSIQMI-UHFFFAOYSA-N 0 0 359.813 4.753 20 5 FJBDRN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC000481626861 568072121 /nfs/dbraw/zinc/07/21/21/568072121.db2.gz YHKNXYYVAMDLOJ-KPZWWZAWSA-N 0 0 364.804 4.522 20 5 FJBDRN Cc1cccc(C(=O)Nc2cccc(Br)c2Cl)c1[N+](=O)[O-] ZINC000568652403 568107027 /nfs/dbraw/zinc/10/70/27/568107027.db2.gz IPSVUTGOYDSAKU-UHFFFAOYSA-N 0 0 369.602 4.571 20 5 FJBDRN CCOc1ccc2c(c1)[C@@H](C)CC(C)(C)N2C(=O)c1ccc([N+](=O)[O-])o1 ZINC000603495087 568108225 /nfs/dbraw/zinc/10/82/25/568108225.db2.gz MCXLBJMMILLVBZ-LBPRGKRZSA-N 0 0 358.394 4.519 20 5 FJBDRN O=[N+]([O-])c1cncc(Cl)c1OCc1cc(F)c(C(F)(F)F)cc1F ZINC000568665145 568113723 /nfs/dbraw/zinc/11/37/23/568113723.db2.gz IMVLYYLKZGXIHE-UHFFFAOYSA-N 0 0 368.645 4.519 20 5 FJBDRN Cc1ccc(C(=O)N[C@@H](c2ccccc2)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000481773369 568123395 /nfs/dbraw/zinc/12/33/95/568123395.db2.gz GFAWNOBUUMQLBE-FQEVSTJZSA-N 0 0 364.376 4.562 20 5 FJBDRN COc1ccccc1CN(Cc1cccs1)Cc1cccc([N+](=O)[O-])c1 ZINC000024816501 568133032 /nfs/dbraw/zinc/13/30/32/568133032.db2.gz PNUSFLQVWLBCOS-UHFFFAOYSA-N 0 0 368.458 4.867 20 5 FJBDRN O=C(Nc1nc(-c2ccc(Cl)s2)cs1)c1ccc([N+](=O)[O-])s1 ZINC000006994835 568133693 /nfs/dbraw/zinc/13/36/93/568133693.db2.gz HJPCZJSZAYMWFO-UHFFFAOYSA-N 0 0 371.852 4.747 20 5 FJBDRN COc1ccc([N+](=O)[O-])c(C(=O)N(c2ccsc2)C2CCCCC2)c1 ZINC000568708313 568136486 /nfs/dbraw/zinc/13/64/86/568136486.db2.gz HDAGBHAIPURBMJ-UHFFFAOYSA-N 0 0 360.435 4.644 20 5 FJBDRN CCCCNc1ccc(C(F)(F)F)cc1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000481881665 568140664 /nfs/dbraw/zinc/14/06/64/568140664.db2.gz SWUWVGINBUNFBC-UHFFFAOYSA-N 0 0 371.315 4.671 20 5 FJBDRN COC(=O)c1cccc(NC(=O)c2cc3ccccc3c3cccnc23)c1C ZINC000603736510 568152716 /nfs/dbraw/zinc/15/27/16/568152716.db2.gz OHYPAQXXKHZBBU-UHFFFAOYSA-N 0 0 370.408 4.735 20 5 FJBDRN Cc1c2ccccc2oc1[C@@H](C)NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000481846903 568158841 /nfs/dbraw/zinc/15/88/41/568158841.db2.gz YOEDYYSSDQWXEO-GFCCVEGCSA-N 0 0 363.373 4.622 20 5 FJBDRN COc1ccc(OCCS[C@H](C)c2nc3ccccc3o2)c([N+](=O)[O-])c1 ZINC000481917711 568183255 /nfs/dbraw/zinc/18/32/55/568183255.db2.gz FNOAKEWGPPEDIZ-GFCCVEGCSA-N 0 0 374.418 4.618 20 5 FJBDRN CC(C)c1ccc(C(=O)N2CC[C@H](C(F)(F)F)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000482017690 568231013 /nfs/dbraw/zinc/23/10/13/568231013.db2.gz PCTVXCQSWRWNRS-HNNXBMFYSA-N 0 0 372.387 4.769 20 5 FJBDRN CSc1ccc([C@H](C)Nc2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])cc1 ZINC000541922533 568231163 /nfs/dbraw/zinc/23/11/63/568231163.db2.gz FYISLOAXOYLPSH-ZDUSSCGKSA-N 0 0 373.478 4.628 20 5 FJBDRN CCSCc1cccc(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000128735064 568232359 /nfs/dbraw/zinc/23/23/59/568232359.db2.gz DBMGDRGJIPALLW-UHFFFAOYSA-N 0 0 350.827 4.754 20 5 FJBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Cl)cc1F ZINC000007474750 568234862 /nfs/dbraw/zinc/23/48/62/568234862.db2.gz WSXIBXZNSSMNEJ-VIFPVBQESA-N 0 0 354.790 4.507 20 5 FJBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C[C@H](c1ccccc1)C(F)(F)F ZINC000482034593 568235004 /nfs/dbraw/zinc/23/50/04/568235004.db2.gz CFIYVERSBOLGCR-CQSZACIVSA-N 0 0 366.339 4.886 20 5 FJBDRN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000482044609 568238202 /nfs/dbraw/zinc/23/82/02/568238202.db2.gz QJLVHASGPUSYTA-ZDUSSCGKSA-N 0 0 372.387 4.571 20 5 FJBDRN COc1ccc(/C=C/c2ccc3cccc([N+](=O)[O-])c3n2)cc1OC(F)F ZINC000007621119 568246329 /nfs/dbraw/zinc/24/63/29/568246329.db2.gz PRGMWKSHGFMDQM-VMPITWQZSA-N 0 0 372.327 4.923 20 5 FJBDRN COc1ccc(-c2csc(/C=C/c3ccc([N+](=O)[O-])cc3)n2)cc1OC ZINC000007750026 568253177 /nfs/dbraw/zinc/25/31/77/568253177.db2.gz BFDIVOVHDBEUKM-BJMVGYQFSA-N 0 0 368.414 4.906 20 5 FJBDRN COc1cc(/C=C/c2nc3cc(C)ccc3s2)c([N+](=O)[O-])cc1OC ZINC000007716582 568253779 /nfs/dbraw/zinc/25/37/79/568253779.db2.gz SZUHMQRULBDJIZ-FNORWQNLSA-N 0 0 356.403 4.701 20 5 FJBDRN CC[C@@H](CSc1ccccc1[N+](=O)[O-])Nc1cccc(CCCO)c1 ZINC000541942522 568259827 /nfs/dbraw/zinc/25/98/27/568259827.db2.gz KLVJSRUZUQFCHT-INIZCTEOSA-N 0 0 360.479 4.503 20 5 FJBDRN Cc1c(NCC(=O)Nc2ccccc2-c2ccccc2)cccc1[N+](=O)[O-] ZINC000007975225 568269769 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O=C(CCCc1ccccc1)N(c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000609482769 568339394 /nfs/dbraw/zinc/33/93/94/568339394.db2.gz ADBZEWRJHRZVMW-UHFFFAOYSA-N 0 0 352.434 4.893 20 5 FJBDRN O=[N+]([O-])c1cccc(-c2noc(CSc3ccc(F)c(Cl)c3)n2)c1 ZINC000031845071 568342059 /nfs/dbraw/zinc/34/20/59/568342059.db2.gz QXVNYLXYRDVKRI-UHFFFAOYSA-N 0 0 365.773 4.730 20 5 FJBDRN O=C(Nc1ccccc1Oc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])[nH]1 ZINC000517938573 568344338 /nfs/dbraw/zinc/34/43/38/568344338.db2.gz OJPBVGPYIVWOBA-UHFFFAOYSA-N 0 0 357.753 4.621 20 5 FJBDRN CC[C@@H](C)Sc1ccc(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])c(C)c1 ZINC000569365999 568396617 /nfs/dbraw/zinc/39/66/17/568396617.db2.gz NLQVORBIVVSYNK-GFCCVEGCSA-N 0 0 360.435 4.752 20 5 FJBDRN CC(C)(c1nc(-c2ccc3[nH]ccc3c2)no1)c1ccc([N+](=O)[O-])cc1F ZINC000569620618 568410373 /nfs/dbraw/zinc/41/03/73/568410373.db2.gz TXVVWOPIBXHWME-UHFFFAOYSA-N 0 0 366.352 4.591 20 5 FJBDRN C[C@@H](Nc1c(F)cccc1[N+](=O)[O-])c1nc2ccccc2n1C(F)F ZINC000569951390 568444109 /nfs/dbraw/zinc/44/41/09/568444109.db2.gz RPODHGJMNSMNFC-SECBINFHSA-N 0 0 350.300 4.652 20 5 FJBDRN O=C([C@H]1CC[C@@H](C(F)(F)F)C1)N(c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000570123368 568452515 /nfs/dbraw/zinc/45/25/15/568452515.db2.gz QIAOUXGYPMUSAK-QWHCGFSZSA-N 0 0 370.371 4.849 20 5 FJBDRN Cc1nnc(S[C@H](C)c2cccc([N+](=O)[O-])c2)n1-c1ccccc1C ZINC000007188948 568471149 /nfs/dbraw/zinc/47/11/49/568471149.db2.gz CACOZKIHLVJWRA-CYBMUJFWSA-N 0 0 354.435 4.646 20 5 FJBDRN CN(C(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000570432507 568475898 /nfs/dbraw/zinc/47/58/98/568475898.db2.gz SEHGBIHOXWCLCW-UHFFFAOYSA-N 0 0 358.703 4.544 20 5 FJBDRN C[C@H](Sc1nncn1-c1cccc(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000007207816 568476434 /nfs/dbraw/zinc/47/64/34/568476434.db2.gz OLARDYQGUXADEL-NSHDSACASA-N 0 0 360.826 4.682 20 5 FJBDRN COc1ccc(-c2nnc(S[C@@H](C)c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000007220761 568478531 /nfs/dbraw/zinc/47/85/31/568478531.db2.gz LOPSCLCSMFVREX-NSHDSACASA-N 0 0 357.391 4.507 20 5 FJBDRN Cc1nc(C(C)(C)NCc2cc([N+](=O)[O-])ccc2C(F)(F)F)sc1C ZINC000570346266 568479685 /nfs/dbraw/zinc/47/96/85/568479685.db2.gz FURIHYKSHVONHS-UHFFFAOYSA-N 0 0 373.400 4.712 20 5 FJBDRN Cc1ccccc1-c1csc(NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000570464679 568480603 /nfs/dbraw/zinc/48/06/03/568480603.db2.gz PDCXFRXNERUOSL-ZDUSSCGKSA-N 0 0 367.430 4.769 20 5 FJBDRN COc1cc(/C=C\c2ccc3cccc([N+](=O)[O-])c3n2)ccc1OC(F)F ZINC000033472311 568511392 /nfs/dbraw/zinc/51/13/92/568511392.db2.gz WWIPSKAHWNWGAF-YVMONPNESA-N 0 0 372.327 4.923 20 5 FJBDRN Cc1cc(Cl)ccc1NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000007471204 568520890 /nfs/dbraw/zinc/52/08/90/568520890.db2.gz OTRLKACSZYAAMJ-LLVKDONJSA-N 0 0 350.827 4.676 20 5 FJBDRN Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000128811413 568540614 /nfs/dbraw/zinc/54/06/14/568540614.db2.gz HRYPJMBIIGBRJS-LBPRGKRZSA-N 0 0 362.455 4.708 20 5 FJBDRN Cc1ccc(-c2nc(CCNc3ccc([N+](=O)[O-])c4cccnc34)co2)cc1 ZINC000079353815 210221677 /nfs/dbraw/zinc/22/16/77/210221677.db2.gz XDKIQOGMQIVGQB-UHFFFAOYSA-N 0 0 374.400 4.761 20 5 FJBDRN C[C@H](Nc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)c1ccccc1Cl ZINC000108313064 210164755 /nfs/dbraw/zinc/16/47/55/210164755.db2.gz XWYCTVYMOYULNO-ZDUSSCGKSA-N 0 0 373.840 4.657 20 5 FJBDRN CCc1ccc(-c2csc(NC(=O)c3cccc([N+](=O)[O-])c3C)n2)cc1 ZINC000006124740 210088808 /nfs/dbraw/zinc/08/88/08/210088808.db2.gz WCELNQMPLDDTCM-UHFFFAOYSA-N 0 0 367.430 4.841 20 5 FJBDRN Cc1csc(Sc2ccc(C(=O)Nc3ccccc3)cc2[N+](=O)[O-])n1 ZINC000006338389 210088338 /nfs/dbraw/zinc/08/83/38/210088338.db2.gz URNRJTDJRJYNQB-UHFFFAOYSA-N 0 0 371.443 4.763 20 5 FJBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1c(Cl)cccc1Cl ZINC000006000234 210087275 /nfs/dbraw/zinc/08/72/75/210087275.db2.gz HRNBUZNCHTUAOS-UHFFFAOYSA-N 0 0 371.245 4.941 20 5 FJBDRN O=C(Nc1nc(-c2cccs2)cs1)c1ccc([N+](=O)[O-])cc1Cl ZINC000006322562 210087358 /nfs/dbraw/zinc/08/73/58/210087358.db2.gz SRBPDIWVSSPLHF-UHFFFAOYSA-N 0 0 365.823 4.686 20 5 FJBDRN O=C(CSc1ccc2ccccc2n1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000005627554 210086862 /nfs/dbraw/zinc/08/68/62/210086862.db2.gz DSHJQFSJCXRICW-UHFFFAOYSA-N 0 0 373.821 4.527 20 5 FJBDRN O=C(Nc1ccc(Cl)cn1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000059251027 212015355 /nfs/dbraw/zinc/01/53/55/212015355.db2.gz JMFHRHUXDIULOO-UHFFFAOYSA-N 0 0 369.764 4.688 20 5 FJBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2cccc3ccccc32)c1 ZINC000024464858 204819310 /nfs/dbraw/zinc/81/93/10/204819310.db2.gz PYXHFUYLKPAOEA-ZDUSSCGKSA-N 0 0 366.442 4.961 20 5 FJBDRN Cc1nc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)c(-c2ccccc2)s1 ZINC000040326366 205066828 /nfs/dbraw/zinc/06/68/28/205066828.db2.gz AZKRZYCLPOONJI-UHFFFAOYSA-N 0 0 353.403 4.587 20 5 FJBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N(C)c2ccc3ccccc3c2)c1 ZINC000053252456 205191472 /nfs/dbraw/zinc/19/14/72/205191472.db2.gz JOCHQXLXQUHTST-UHFFFAOYSA-N 0 0 352.415 4.747 20 5 FJBDRN Cc1c(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)sc2cccc(F)c12 ZINC000108287948 206029322 /nfs/dbraw/zinc/02/93/22/206029322.db2.gz PSPSSJKRWOHRDP-LLVKDONJSA-N 0 0 358.394 4.748 20 5 FJBDRN C[C@H](SCc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000020971812 211300949 /nfs/dbraw/zinc/30/09/49/211300949.db2.gz IDHQTPWSVXYOLL-NSHDSACASA-N 0 0 350.827 4.509 20 5 FJBDRN O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1cccc(Cl)c1Cl ZINC000015587992 211132857 /nfs/dbraw/zinc/13/28/57/211132857.db2.gz QPMZELXVXWVEPK-UHFFFAOYSA-N 0 0 357.218 4.632 20 5 FJBDRN Cc1noc(C)c1C(=O)Nc1c2ccccc2n2c1c1ccccc1nc2C ZINC000014912673 211104310 /nfs/dbraw/zinc/10/43/10/211104310.db2.gz MDAGGYSRGADFHX-UHFFFAOYSA-N 0 0 370.412 4.806 20 5 FJBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)c1cc2c(s1)CCCCCC2 ZINC000069520495 221326228 /nfs/dbraw/zinc/32/62/28/221326228.db2.gz JLTXSNUMWYMADD-UHFFFAOYSA-N 0 0 360.435 4.576 20 5 FJBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(C(C)(C)C)ccc1O ZINC000071798404 221377226 /nfs/dbraw/zinc/37/72/26/221377226.db2.gz PBQBIEDRLPOQSY-LBPRGKRZSA-N 0 0 374.462 4.717 20 5 FJBDRN O=C(c1ccccc1)c1ccc(OCc2c(F)cccc2[N+](=O)[O-])cc1 ZINC000078411985 221659675 /nfs/dbraw/zinc/65/96/75/221659675.db2.gz ANYXQTZQBAORLC-UHFFFAOYSA-N 0 0 351.333 4.544 20 5 FJBDRN O=C(NC1CCC(c2ccccc2)CC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000105907765 222379471 /nfs/dbraw/zinc/37/94/71/222379471.db2.gz AIXGLFPBYPQFGJ-UHFFFAOYSA-N 0 0 358.825 4.704 20 5 FJBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@H](C)CC[C@@H]1c1ccccc1 ZINC000481362263 567819010 /nfs/dbraw/zinc/81/90/10/567819010.db2.gz TZUFNIIWAYWGTB-AUUYWEPGSA-N 0 0 353.422 4.908 20 5 FJBDRN COc1ccc([N+](=O)[O-])c(C(=O)N([C@@H](C)c2ccc(Cl)cc2)C2CC2)c1 ZINC000517899737 567833483 /nfs/dbraw/zinc/83/34/83/567833483.db2.gz PFPOLLWIPFXTMN-LBPRGKRZSA-N 0 0 374.824 4.623 20 5 FJBDRN O=C(c1cccn1C1CCCC1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000452869232 567837313 /nfs/dbraw/zinc/83/73/13/567837313.db2.gz ZBAKCHPRYPJWET-KRWDZBQOSA-N 0 0 367.449 4.531 20 5 FJBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ncc(C(C)C)s1 ZINC000159176186 567856634 /nfs/dbraw/zinc/85/66/34/567856634.db2.gz PAVLAUYGDARKNA-UHFFFAOYSA-N 0 0 351.453 4.539 20 5 FJBDRN CC(C)n1cc([C@@H](C)NC(=O)c2cc3ccccc3c3cccnc23)cn1 ZINC000602039812 567909534 /nfs/dbraw/zinc/90/95/34/567909534.db2.gz GPCBXQHWNFHBPJ-OAHLLOKOSA-N 0 0 358.445 4.656 20 5 FJBDRN Cc1oc(-c2ccccc2)c(C(=O)NCc2cccc([N+](=O)[O-])c2C)c1C ZINC000481494166 567998868 /nfs/dbraw/zinc/99/88/68/567998868.db2.gz RFPCTNRBLKUOMV-UHFFFAOYSA-N 0 0 364.401 4.710 20 5 FJBDRN Cc1cc(O)c(C(C)C)cc1C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000436607316 568032592 /nfs/dbraw/zinc/03/25/92/568032592.db2.gz IISINADXWGTXEQ-AWEZNQCLSA-N 0 0 356.422 4.532 20 5 FJBDRN Cc1cc(O)c(C(C)C)cc1C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000436607320 568033761 /nfs/dbraw/zinc/03/37/61/568033761.db2.gz IISINADXWGTXEQ-CQSZACIVSA-N 0 0 356.422 4.532 20 5 FJBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000481588622 568063248 /nfs/dbraw/zinc/06/32/48/568063248.db2.gz YLVAWOIXEVJXNQ-HNNXBMFYSA-N 0 0 371.412 4.844 20 5 FJBDRN C[C@H](c1ccccc1[N+](=O)[O-])N1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC000481626862 568071542 /nfs/dbraw/zinc/07/15/42/568071542.db2.gz YHKNXYYVAMDLOJ-KZULUSFZSA-N 0 0 364.804 4.522 20 5 FJBDRN Cc1sc(C(=O)N[C@H](c2ccccc2)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000481658869 568081538 /nfs/dbraw/zinc/08/15/38/568081538.db2.gz PBAAMTPMKJIKQB-GOSISDBHSA-N 0 0 370.405 4.623 20 5 FJBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C(=O)C(C)C)cc1 ZINC000452979003 568089602 /nfs/dbraw/zinc/08/96/02/568089602.db2.gz RHLNIPUDWKSYFT-UHFFFAOYSA-N 0 0 372.446 4.798 20 5 FJBDRN O=[N+]([O-])c1ccc2oc(CN3CC=C(c4cccc(Cl)c4)CC3)nc2c1 ZINC000481778252 568123636 /nfs/dbraw/zinc/12/36/36/568123636.db2.gz KYCPIPMDSOEGJO-UHFFFAOYSA-N 0 0 369.808 4.679 20 5 FJBDRN O=C(c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)N1CC[C@@H]1C1CC1 ZINC000452981864 568126466 /nfs/dbraw/zinc/12/64/66/568126466.db2.gz AYYCMKJYCHMAEQ-MRXNPFEDSA-N 0 0 372.808 4.665 20 5 FJBDRN C[C@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)c1ccccc1Cl ZINC000584674976 568136888 /nfs/dbraw/zinc/13/68/88/568136888.db2.gz UXSJLKKIIPINRB-NSHDSACASA-N 0 0 364.804 4.542 20 5 FJBDRN O=C(Nc1nc2ccc(Cl)cc2s1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000603727661 568143999 /nfs/dbraw/zinc/14/39/99/568143999.db2.gz KRIZSNUAHCXFQH-UHFFFAOYSA-N 0 0 373.777 4.856 20 5 FJBDRN CSc1cccc(C(=O)N[C@H](C)c2oc3ccccc3c2C)c1[N+](=O)[O-] ZINC000481841249 568147912 /nfs/dbraw/zinc/14/79/12/568147912.db2.gz QRYWACRPIHRLQM-GFCCVEGCSA-N 0 0 370.430 4.862 20 5 FJBDRN COc1cccc(C(=O)COc2ccc(-c3ccccc3)cc2[N+](=O)[O-])c1 ZINC000517912571 568180945 /nfs/dbraw/zinc/18/09/45/568180945.db2.gz VXAKRUFAKCLAPV-UHFFFAOYSA-N 0 0 363.369 4.532 20 5 FJBDRN COc1cc(-c2ccccc2)sc1C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000603949855 568186998 /nfs/dbraw/zinc/18/69/98/568186998.db2.gz NDFAWSFOSVQOSX-UHFFFAOYSA-N 0 0 368.414 4.893 20 5 FJBDRN O=C(N[C@H](c1ccccc1)C(F)F)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000481939369 568194025 /nfs/dbraw/zinc/19/40/25/568194025.db2.gz ADNYCEAFDUTKSO-OAHLLOKOSA-N 0 0 362.357 4.546 20 5 FJBDRN C[C@H](Nc1ccc(-c2ccccc2)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000007224849 568227799 /nfs/dbraw/zinc/22/77/99/568227799.db2.gz SADAFMLXACWGRL-HNNXBMFYSA-N 0 0 361.401 4.701 20 5 FJBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2nc(C)sc2c1 ZINC000482041601 568236418 /nfs/dbraw/zinc/23/64/18/568236418.db2.gz RSSHBOJWBCFEEW-UHFFFAOYSA-N 0 0 373.459 4.877 20 5 FJBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](c2ccc(F)cc2)C2CCC2)c1 ZINC000517928448 568255659 /nfs/dbraw/zinc/25/56/59/568255659.db2.gz LQGNTUGZBVUDIV-GOSISDBHSA-N 0 0 374.437 4.727 20 5 FJBDRN Cc1cccc(N2C(=O)c3ccccc3N[C@@H]2c2ccccc2[N+](=O)[O-])c1 ZINC000007889612 568260917 /nfs/dbraw/zinc/26/09/17/568260917.db2.gz XOXXNZVYDQYENM-FQEVSTJZSA-N 0 0 359.385 4.674 20 5 FJBDRN C[C@@H]1C[C@H](c2ccc(C(F)(F)F)cc2)N(c2ncccc2[N+](=O)[O-])C1 ZINC000482094309 568263489 /nfs/dbraw/zinc/26/34/89/568263489.db2.gz JQJJOCGDWXNGIO-IAQYHMDHSA-N 0 0 351.328 4.596 20 5 FJBDRN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H]1CCc2sc(Cl)cc21 ZINC000569100396 568275469 /nfs/dbraw/zinc/27/54/69/568275469.db2.gz ABDVBEXIRXSSDM-NSHDSACASA-N 0 0 365.842 4.736 20 5 FJBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H]1Cc1ccc(F)cc1 ZINC000569041023 568278222 /nfs/dbraw/zinc/27/82/22/568278222.db2.gz MXYDNHZOQBNMCH-KRWDZBQOSA-N 0 0 371.412 4.535 20 5 FJBDRN COc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2C)ccc1OCCC(C)C ZINC000008267472 568285525 /nfs/dbraw/zinc/28/55/25/568285525.db2.gz BBNCHKUBWOHSSM-UHFFFAOYSA-N 0 0 372.421 4.589 20 5 FJBDRN O=C(Nc1ccc(COCc2ccccc2)cc1)c1ccccc1[N+](=O)[O-] ZINC000150851645 568289940 /nfs/dbraw/zinc/28/99/40/568289940.db2.gz RPKJTIQBTNPYJX-UHFFFAOYSA-N 0 0 362.385 4.564 20 5 FJBDRN CN(c1ccc([N+](=O)[O-])c2cccnc21)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000569147544 568293914 /nfs/dbraw/zinc/29/39/14/568293914.db2.gz YFQCRINQJLLFJG-TXEJJXNPSA-N 0 0 353.344 4.700 20 5 FJBDRN COc1cc([N+](=O)[O-])c(C(=O)Nc2cccc(Cl)c2C)cc1SC ZINC000482191667 568306104 /nfs/dbraw/zinc/30/61/04/568306104.db2.gz HWSZVNQNDPDQIH-UHFFFAOYSA-N 0 0 366.826 4.539 20 5 FJBDRN CCCCc1ccc2nc(NC(=O)c3cc([N+](=O)[O-])cnc3C)sc2c1 ZINC000604560210 568311385 /nfs/dbraw/zinc/31/13/85/568311385.db2.gz RIGXUQKGDSLSBL-UHFFFAOYSA-N 0 0 370.434 4.503 20 5 FJBDRN COc1ccc(NC(=O)c2oc3ccc(Cl)cc3c2C)cc1[N+](=O)[O-] ZINC000541992262 568320621 /nfs/dbraw/zinc/32/06/21/568320621.db2.gz WEWAMQAMHWUVJY-UHFFFAOYSA-N 0 0 360.753 4.564 20 5 FJBDRN O=[N+]([O-])c1cccc(OCCSCc2coc(-c3ccc(F)cc3)n2)c1 ZINC000517937749 568342069 /nfs/dbraw/zinc/34/20/69/568342069.db2.gz CFTHPTJCZYUDNC-UHFFFAOYSA-N 0 0 374.393 4.701 20 5 FJBDRN O=C(N[C@H]1C[C@H]1c1c(F)cccc1F)c1cc2ccccc2c2cccnc12 ZINC000604719606 568352324 /nfs/dbraw/zinc/35/23/24/568352324.db2.gz ZLFUHKNVFWOBNO-UZLBHIALSA-N 0 0 374.390 4.952 20 5 FJBDRN CO[C@H](C)c1cccc(NCc2cc([N+](=O)[O-])ccc2C(F)(F)F)c1 ZINC000453077383 568389367 /nfs/dbraw/zinc/38/93/67/568389367.db2.gz GZCVJJREXAKHOT-LLVKDONJSA-N 0 0 354.328 4.933 20 5 FJBDRN O=C(Nc1nc(-c2cccc(Cl)c2)cs1)c1cccc([N+](=O)[O-])c1 ZINC000006220698 568400058 /nfs/dbraw/zinc/40/00/58/568400058.db2.gz IWHCUVAPAXZJCG-UHFFFAOYSA-N 0 0 359.794 4.624 20 5 FJBDRN Cc1nc2ccccc2c2c(NC(=O)CC3CCOCC3)c3ccccc3n21 ZINC000604935643 568400186 /nfs/dbraw/zinc/40/01/86/568400186.db2.gz ZDEPHIKHHNYOJY-UHFFFAOYSA-N 0 0 373.456 4.704 20 5 FJBDRN COc1ccccc1Oc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000006249144 568400376 /nfs/dbraw/zinc/40/03/76/568400376.db2.gz DIRGZABPCVEMRJ-UHFFFAOYSA-N 0 0 364.357 4.648 20 5 FJBDRN C[C@@H](C(=O)N(C)Cc1cccc(Cl)c1Cl)c1cccc([N+](=O)[O-])c1 ZINC000569537349 568406581 /nfs/dbraw/zinc/40/65/81/568406581.db2.gz KZKRJGWGMZOGPC-LLVKDONJSA-N 0 0 367.232 4.664 20 5 FJBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(C)(c1ccccc1)c1ccccc1 ZINC000006866370 568409805 /nfs/dbraw/zinc/40/98/05/568409805.db2.gz XWBVLXZBQIGVIZ-UHFFFAOYSA-N 0 0 360.413 4.848 20 5 FJBDRN Cc1cc(NC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)c(Cl)cc1F ZINC000569618283 568410284 /nfs/dbraw/zinc/41/02/84/568410284.db2.gz CBBCUXOCEBMEEN-UHFFFAOYSA-N 0 0 350.777 4.873 20 5 FJBDRN O=[N+]([O-])c1ccc(N[C@H]2c3ccccc3CC23CCOCC3)c(Cl)c1 ZINC000570018800 568440851 /nfs/dbraw/zinc/44/08/51/568440851.db2.gz DJNWOUIGLGQWOG-SFHVURJKSA-N 0 0 358.825 4.754 20 5 FJBDRN CN(c1nc2ccccc2cc1[N+](=O)[O-])[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000569959144 568444500 /nfs/dbraw/zinc/44/45/00/568444500.db2.gz PZNIVAGHFOFYEA-BETUJISGSA-N 0 0 353.344 4.700 20 5 FJBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccc2ccccc2c1O ZINC000436709423 568445638 /nfs/dbraw/zinc/44/56/38/568445638.db2.gz NCHGTVLPCWRHMD-UHFFFAOYSA-N 0 0 364.401 4.504 20 5 FJBDRN CCn1c(S[C@H](C)c2cccc([N+](=O)[O-])c2)nnc1-c1cccs1 ZINC000007119978 568451303 /nfs/dbraw/zinc/45/13/03/568451303.db2.gz AYZRYJRBWHXKHQ-LLVKDONJSA-N 0 0 360.464 4.788 20 5 FJBDRN Cc1ccc(-c2noc(CO[C@@H]3CCCc4ccccc43)n2)cc1[N+](=O)[O-] ZINC000570081421 568457511 /nfs/dbraw/zinc/45/75/11/568457511.db2.gz NCEXSJRJKTYZNN-GOSISDBHSA-N 0 0 365.389 4.547 20 5 FJBDRN COc1ccc(-c2nc(-c3ccc([N+](=O)[O-])cc3C)no2)cc1C1CC1 ZINC000570083077 568457604 /nfs/dbraw/zinc/45/76/04/568457604.db2.gz WVNZUORAQULCET-UHFFFAOYSA-N 0 0 351.362 4.506 20 5 FJBDRN CC(C)c1ccc(CN[C@H](C)c2nccn2-c2ccccc2)cc1[N+](=O)[O-] ZINC000570313265 568466753 /nfs/dbraw/zinc/46/67/53/568466753.db2.gz LKHCEPQNDIHLRX-MRXNPFEDSA-N 0 0 364.449 4.755 20 5 FJBDRN Cc1ccc(-n2cnnc2S[C@@H](C)c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000007189165 568471431 /nfs/dbraw/zinc/47/14/31/568471431.db2.gz QQCBDHPXDFXMEC-AWEZNQCLSA-N 0 0 354.435 4.646 20 5 FJBDRN C[C@@H](Sc1nncn1-c1cccc(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000007207817 568476446 /nfs/dbraw/zinc/47/64/46/568476446.db2.gz OLARDYQGUXADEL-LLVKDONJSA-N 0 0 360.826 4.682 20 5 FJBDRN Cc1ncsc1NC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000570610542 568490925 /nfs/dbraw/zinc/49/09/25/568490925.db2.gz BDSXEHKEOZCIDS-UHFFFAOYSA-N 0 0 371.443 4.763 20 5 FJBDRN CC[C@@H](CN(CC)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)c1ccccc1 ZINC000482252757 568529519 /nfs/dbraw/zinc/52/95/19/568529519.db2.gz MQULNYJWDFULOE-HNNXBMFYSA-N 0 0 365.433 4.732 20 5 FJBDRN Cc1nn(-c2ccccc2)c(C)c1CNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000079321026 210222012 /nfs/dbraw/zinc/22/20/12/210222012.db2.gz HKZHYUCFJBDIPT-UHFFFAOYSA-N 0 0 373.416 4.558 20 5 FJBDRN O=C(CSc1ccc(Cl)cc1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000005863906 210083540 /nfs/dbraw/zinc/08/35/40/210083540.db2.gz FJCDKHUYAUEJCX-UHFFFAOYSA-N 0 0 357.218 4.632 20 5 FJBDRN C[C@@H](Sc1ccc(F)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000004564058 210080529 /nfs/dbraw/zinc/08/05/29/210080529.db2.gz SIALXNADLNUKFN-SECBINFHSA-N 0 0 354.790 4.507 20 5 FJBDRN C[C@H](Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(NC(=O)C2CC2)cc1 ZINC000045026727 210046601 /nfs/dbraw/zinc/04/66/01/210046601.db2.gz VYJNUMRAEQFDSJ-NSHDSACASA-N 0 0 359.813 4.770 20 5 FJBDRN Cc1cccc(C(=O)Nc2nc(-c3ccccc3Cl)cs2)c1[N+](=O)[O-] ZINC000005559001 203810822 /nfs/dbraw/zinc/81/08/22/203810822.db2.gz JYKAPEMGCSHNIS-UHFFFAOYSA-N 0 0 373.821 4.932 20 5 FJBDRN CC(C)(CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(Cl)cc1 ZINC000059827323 212018949 /nfs/dbraw/zinc/01/89/49/212018949.db2.gz WBLUAJZHLQBJPX-UHFFFAOYSA-N 0 0 367.232 4.609 20 5 FJBDRN COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(Oc3ccccc3)cc2)c1 ZINC000060063683 212018987 /nfs/dbraw/zinc/01/89/87/212018987.db2.gz QIVOLXCRRAERPW-UHFFFAOYSA-N 0 0 364.357 4.648 20 5 FJBDRN C[C@H](NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)c1ccccc1Cl ZINC000023117862 204794893 /nfs/dbraw/zinc/79/48/93/204794893.db2.gz FKSIPZABJRFYKQ-RYUDHWBXSA-N 0 0 364.854 4.606 20 5 FJBDRN CCC(=O)Nc1ccc(-c2csc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000055050586 205205159 /nfs/dbraw/zinc/20/51/59/205205159.db2.gz JSFFWBRJZIGJSA-UHFFFAOYSA-N 0 0 353.403 4.734 20 5 FJBDRN CCCOc1ccc(Cl)cc1NC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000055595805 205222451 /nfs/dbraw/zinc/22/24/51/205222451.db2.gz SKCSUDSTFXYOLU-UHFFFAOYSA-N 0 0 354.815 4.659 20 5 FJBDRN C[C@@H](NC(=O)c1cc2ccccc2c2cccnc12)c1ccc2c(c1)OCO2 ZINC000107795665 206023523 /nfs/dbraw/zinc/02/35/23/206023523.db2.gz ZCGACZWIJZFBHJ-CQSZACIVSA-N 0 0 370.408 4.608 20 5 FJBDRN Cc1c2cc(Cl)ccc2oc1C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000108291385 206028822 /nfs/dbraw/zinc/02/88/22/206028822.db2.gz KXBNKSOIVFDGNP-LLVKDONJSA-N 0 0 358.781 4.794 20 5 FJBDRN CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000108341807 206031501 /nfs/dbraw/zinc/03/15/01/206031501.db2.gz DGUHUUINHBBLDM-UHFFFAOYSA-N 0 0 367.232 4.952 20 5 FJBDRN C[C@@H](S[C@@H]1CCCc2ccccc21)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000110307981 206072427 /nfs/dbraw/zinc/07/24/27/206072427.db2.gz CETNUXHQURZQCS-FZKQIMNGSA-N 0 0 356.447 4.733 20 5 FJBDRN Cc1cc(Cl)ccc1NC(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000005577915 206240620 /nfs/dbraw/zinc/24/06/20/206240620.db2.gz KUNMCZYCENEVCG-UHFFFAOYSA-N 0 0 369.602 4.571 20 5 FJBDRN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1cccc2ccccc21 ZINC000014602095 206310395 /nfs/dbraw/zinc/31/03/95/206310395.db2.gz PTQYPDQJUBXPOR-LBPRGKRZSA-N 0 0 354.793 4.892 20 5 FJBDRN COCc1c(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)sc2cccc(F)c21 ZINC000015629538 211134151 /nfs/dbraw/zinc/13/41/51/211134151.db2.gz HOSVXRKZNAGIIK-UHFFFAOYSA-N 0 0 374.393 4.656 20 5 FJBDRN CC(C)(C)c1ccc([C@H]2CCCN2C(=O)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000071934859 221387931 /nfs/dbraw/zinc/38/79/31/221387931.db2.gz PXCAUJDTRWRKKJ-LJQANCHMSA-N 0 0 366.461 4.799 20 5 FJBDRN O=C(N[C@@H](Cc1ccc(Cl)cc1)c1ccccc1)c1ccc([N+](=O)[O-])o1 ZINC000072001768 221395188 /nfs/dbraw/zinc/39/51/88/221395188.db2.gz RDBRPQUKYUOVGB-INIZCTEOSA-N 0 0 370.792 4.555 20 5 FJBDRN Cc1nc(CSc2nc3ccccc3c3nc4ccccc4n32)oc1C ZINC000072014585 221396251 /nfs/dbraw/zinc/39/62/51/221396251.db2.gz BSFTXXQFBFDWHN-UHFFFAOYSA-N 0 0 360.442 4.933 20 5 FJBDRN CCCN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCc2ccccc2C1 ZINC000072024101 221396729 /nfs/dbraw/zinc/39/67/29/221396729.db2.gz LAVJQGUTSNVTPP-INIZCTEOSA-N 0 0 372.852 4.658 20 5 FJBDRN Cc1cc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)ccc1Oc1cccnc1 ZINC000072028763 221397433 /nfs/dbraw/zinc/39/74/33/221397433.db2.gz FWXKBRCFZLMLHG-UHFFFAOYSA-N 0 0 363.373 4.651 20 5 FJBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(Br)cc1Cl ZINC000072068501 221401281 /nfs/dbraw/zinc/40/12/81/221401281.db2.gz HXNFHCLPGWUFMP-UHFFFAOYSA-N 0 0 369.602 4.571 20 5 FJBDRN Cc1cccc(C)c1NC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000015992698 132880836 /nfs/dbraw/zinc/88/08/36/132880836.db2.gz GTBARPHHLCRMRM-AWEZNQCLSA-N 0 0 367.449 4.700 20 5 FJBDRN COc1ccc(C(=O)N[C@@H](c2ccc(Cl)cc2)C2CCC2)cc1[N+](=O)[O-] ZINC000078507857 221665344 /nfs/dbraw/zinc/66/53/44/221665344.db2.gz ZRXAQKJCKXZCFN-GOSISDBHSA-N 0 0 374.824 4.528 20 5 FJBDRN O=C(NCc1ccccc1[N+](=O)[O-])Nc1cccc(C(F)F)c1Cl ZINC000541791002 567822694 /nfs/dbraw/zinc/82/26/94/567822694.db2.gz VMNIGZTVRAKSEG-UHFFFAOYSA-N 0 0 355.728 4.508 20 5 FJBDRN O=[N+]([O-])c1cc(CS[C@H]2CCc3ccc(F)cc32)c2c(c1)COCO2 ZINC000481371322 567822906 /nfs/dbraw/zinc/82/29/06/567822906.db2.gz JIKINVZRALHNDA-KRWDZBQOSA-N 0 0 361.394 4.521 20 5 FJBDRN C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1F)c1ccccc1C(F)(F)F ZINC000541785462 567832935 /nfs/dbraw/zinc/83/29/35/567832935.db2.gz RXUQUEWOQMFYTI-SECBINFHSA-N 0 0 371.290 4.635 20 5 FJBDRN O=[N+]([O-])c1ccc(/C(=C/c2ccc(O)c(Cl)c2)c2ccncc2)cc1 ZINC000436562078 567850798 /nfs/dbraw/zinc/85/07/98/567850798.db2.gz JLMOXTBGSUDQLL-BOPFTXTBSA-N 0 0 352.777 4.938 20 5 FJBDRN Cc1cc([N+](=O)[O-])ccc1C[NH2+]Cc1cccc(COCc2ccco2)c1 ZINC000541794408 567857009 /nfs/dbraw/zinc/85/70/09/567857009.db2.gz PNHGVRWMXRQIPH-UHFFFAOYSA-N 0 0 366.417 4.503 20 5 FJBDRN O=[N+]([O-])c1ccc(Oc2ccc(C(F)(F)F)cn2)c(Br)c1 ZINC000302692465 567876764 /nfs/dbraw/zinc/87/67/64/567876764.db2.gz SBOXLEGIMFXHDQ-UHFFFAOYSA-N 0 0 363.089 4.563 20 5 FJBDRN Cn1c(C(=O)Nc2ccccc2Oc2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000517907361 567896647 /nfs/dbraw/zinc/89/66/47/567896647.db2.gz AFKFFWLUSXQBBL-UHFFFAOYSA-N 0 0 371.780 4.631 20 5 FJBDRN CN(Cc1ccc(Cl)cc1)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000024666257 567902667 /nfs/dbraw/zinc/90/26/67/567902667.db2.gz WYHRILNXENTWND-UHFFFAOYSA-N 0 0 360.822 4.735 20 5 FJBDRN Cc1ccc(C(=O)COc2ccc(-c3ccccc3)cc2[N+](=O)[O-])s1 ZINC000517911679 567911597 /nfs/dbraw/zinc/91/15/97/567911597.db2.gz NWBUHWKPTHTKSF-UHFFFAOYSA-N 0 0 353.399 4.893 20 5 FJBDRN COc1cc([C@H](C)Nc2ccc([N+](=O)[O-])c(C(C)=O)c2)ccc1OC(C)C ZINC000568495028 568044641 /nfs/dbraw/zinc/04/46/41/568044641.db2.gz PVWRSHBLRHVGNS-ZDUSSCGKSA-N 0 0 372.421 4.766 20 5 FJBDRN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC000481578651 568060464 /nfs/dbraw/zinc/06/04/64/568060464.db2.gz DKZKDALDTMLVIW-KPZWWZAWSA-N 0 0 364.804 4.522 20 5 FJBDRN O=[N+]([O-])c1cc(-c2ccccc2)ccc1Oc1ncncc1Br ZINC000481692328 568089226 /nfs/dbraw/zinc/08/92/26/568089226.db2.gz QDSIOXJLLHBQAP-UHFFFAOYSA-N 0 0 372.178 4.607 20 5 FJBDRN Cc1ccc([N+](=O)[O-])c(NCc2cccc(COCc3ccccc3)c2)n1 ZINC000481694303 568092153 /nfs/dbraw/zinc/09/21/53/568092153.db2.gz LGFXLSHAAVMXQH-UHFFFAOYSA-N 0 0 363.417 4.627 20 5 FJBDRN C[C@H](CSCc1ccccc1)C(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000568665821 568114774 /nfs/dbraw/zinc/11/47/74/568114774.db2.gz BBFOOFNTFZRZMP-OAHLLOKOSA-N 0 0 372.490 4.516 20 5 FJBDRN Cc1ccc(C(=O)N[C@H](c2ccccc2)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000481773370 568123385 /nfs/dbraw/zinc/12/33/85/568123385.db2.gz GFAWNOBUUMQLBE-HXUWFJFHSA-N 0 0 364.376 4.562 20 5 FJBDRN Cc1c2ccccc2oc1[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000481804210 568129029 /nfs/dbraw/zinc/12/90/29/568129029.db2.gz XUKPFKRVPBCVPR-LLVKDONJSA-N 0 0 358.781 4.794 20 5 FJBDRN Cc1cc(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])nn1C1CCCCC1 ZINC000291412553 568136215 /nfs/dbraw/zinc/13/62/15/568136215.db2.gz JIYYFDVXDAEQAS-UHFFFAOYSA-N 0 0 362.817 4.511 20 5 FJBDRN COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)cc1 ZINC000603726218 568143305 /nfs/dbraw/zinc/14/33/05/568143305.db2.gz FUVZXFGTWCSFRG-UHFFFAOYSA-N 0 0 364.357 4.648 20 5 FJBDRN O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ocnc1C1CC1 ZINC000584677824 568190063 /nfs/dbraw/zinc/19/00/63/568190063.db2.gz RFDKNZYWFCZAGH-UHFFFAOYSA-N 0 0 365.345 4.505 20 5 FJBDRN O=C(N[C@@H](c1cc2ccccc2o1)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000024876677 568209905 /nfs/dbraw/zinc/20/99/05/568209905.db2.gz JVMBHBYRAROZRP-OAQYLSRUSA-N 0 0 372.380 4.860 20 5 FJBDRN C[C@@H]1[C@H](C(F)(F)F)CCCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000482011394 568226838 /nfs/dbraw/zinc/22/68/38/568226838.db2.gz UJBFHOCTRLZOJZ-BXKDBHETSA-N 0 0 372.368 4.613 20 5 FJBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(C(C)(C)C)cs1 ZINC000482028740 568232619 /nfs/dbraw/zinc/23/26/19/568232619.db2.gz ZSWMVMGGWRVABT-UHFFFAOYSA-N 0 0 365.480 4.713 20 5 FJBDRN Cc1nc2ccc(NC(=O)[C@@H](C)Sc3ccc([N+](=O)[O-])cc3)cc2s1 ZINC000007471337 568234728 /nfs/dbraw/zinc/23/47/28/568234728.db2.gz OUVRMPLZRHVWKN-SNVBAGLBSA-N 0 0 373.459 4.632 20 5 FJBDRN Cc1c(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)cnc2ccccc12 ZINC000482042958 568236480 /nfs/dbraw/zinc/23/64/80/568236480.db2.gz OGJFGZKUJXWPHE-UHFFFAOYSA-N 0 0 363.417 4.502 20 5 FJBDRN O=C(COc1cccc([N+](=O)[O-])c1)Nc1ccc2oc3ccccc3c2c1 ZINC000007510985 568238592 /nfs/dbraw/zinc/23/85/92/568238592.db2.gz KZGVLELAYLFGJT-UHFFFAOYSA-N 0 0 362.341 4.512 20 5 FJBDRN Cc1cc(C)c([N+](=O)[O-])c(N[C@@H](c2cccc(Cl)c2)c2ccccn2)n1 ZINC000541936417 568257371 /nfs/dbraw/zinc/25/73/71/568257371.db2.gz WUBKPCATWSBDBF-KRWDZBQOSA-N 0 0 368.824 4.857 20 5 FJBDRN Cc1cc(C)c([N+](=O)[O-])c(Sc2nnc(-c3cc4ccccc4o3)o2)n1 ZINC000541935111 568258270 /nfs/dbraw/zinc/25/82/70/568258270.db2.gz GJKXZHUFAISQSW-UHFFFAOYSA-N 0 0 368.374 4.554 20 5 FJBDRN Cc1c(NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)cccc1C(F)(F)F ZINC000568982654 568260841 /nfs/dbraw/zinc/26/08/41/568260841.db2.gz IGEUSPPGFAKMRF-JTQLQIEISA-N 0 0 352.312 4.664 20 5 FJBDRN Cc1cccc(N2C(=O)c3ccccc3N[C@H]2c2cccc([N+](=O)[O-])c2)c1 ZINC000007889598 568260903 /nfs/dbraw/zinc/26/09/03/568260903.db2.gz NVGMVYRKPZAENM-HXUWFJFHSA-N 0 0 359.385 4.674 20 5 FJBDRN CCc1ccc([C@H]2CCCCCN2C(=O)c2ccc([N+](=O)[O-])cc2F)o1 ZINC000303803680 568277249 /nfs/dbraw/zinc/27/72/49/568277249.db2.gz MBPWMHHVDMYCDC-QGZVFWFLSA-N 0 0 360.385 4.647 20 5 FJBDRN O=C(Nc1ccc(COCc2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000150851813 568277300 /nfs/dbraw/zinc/27/73/00/568277300.db2.gz KPHLVLCYFUBFAQ-UHFFFAOYSA-N 0 0 362.385 4.564 20 5 FJBDRN Cc1cc(-c2noc(-c3cc([N+](=O)[O-])ccc3C(F)(F)F)n2)c(C)o1 ZINC000569126416 568285181 /nfs/dbraw/zinc/28/51/81/568285181.db2.gz JZJRDXIJFCTFEV-UHFFFAOYSA-N 0 0 353.256 4.540 20 5 FJBDRN O=c1[nH]c(Cc2ccc([N+](=O)[O-])cc2)nc2ccc(Oc3ccccc3)cc12 ZINC000604435729 568292749 /nfs/dbraw/zinc/29/27/49/568292749.db2.gz WKWHHSMDFHLCQE-UHFFFAOYSA-N 0 0 373.368 4.627 20 5 FJBDRN Cc1cc(C(=O)N(C)c2ccc(Cl)c(C(F)(F)F)c2)ccc1[N+](=O)[O-] ZINC000569151087 568297958 /nfs/dbraw/zinc/29/79/58/568297958.db2.gz KEJVXFLQNAGCLJ-UHFFFAOYSA-N 0 0 372.730 4.852 20 5 FJBDRN CCSc1ccc([C@H](C)Nc2ncnc3sc([N+](=O)[O-])cc32)cc1 ZINC000569254050 568320859 /nfs/dbraw/zinc/32/08/59/568320859.db2.gz ZTZJPJLVMFVACZ-JTQLQIEISA-N 0 0 360.464 4.885 20 5 FJBDRN C[C@H](NC(=O)c1ccc([N+](=O)[O-])s1)C(c1ccccc1)c1ccccc1 ZINC000031383445 568331405 /nfs/dbraw/zinc/33/14/05/568331405.db2.gz GSOIGBWECKRKSK-AWEZNQCLSA-N 0 0 366.442 4.607 20 5 FJBDRN O=C(Nc1cccc(COc2cccc(F)c2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000031398617 568331772 /nfs/dbraw/zinc/33/17/72/568331772.db2.gz QGLHXVQACMAGED-UHFFFAOYSA-N 0 0 366.348 4.565 20 5 FJBDRN Cc1ccccc1-c1csc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000031790420 568339828 /nfs/dbraw/zinc/33/98/28/568339828.db2.gz MNJDTLKRQHBVLB-UHFFFAOYSA-N 0 0 373.821 4.932 20 5 FJBDRN Cc1cccc(C)c1[C@@H](C)NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000569295673 568343882 /nfs/dbraw/zinc/34/38/82/568343882.db2.gz UNRXZVCPPHAZJI-GFCCVEGCSA-N 0 0 366.339 4.721 20 5 FJBDRN Cc1sc(C(=O)Nc2nc(-c3ccc(C)cc3C)cs2)cc1[N+](=O)[O-] ZINC000032081714 568348913 /nfs/dbraw/zinc/34/89/13/568348913.db2.gz MRAVIPRFAFZWJT-UHFFFAOYSA-N 0 0 373.459 4.957 20 5 FJBDRN O=C(N[C@@H]1C[C@H]1c1c(F)cccc1F)c1cc2ccccc2c2cccnc12 ZINC000604719605 568352299 /nfs/dbraw/zinc/35/22/99/568352299.db2.gz ZLFUHKNVFWOBNO-OXQOHEQNSA-N 0 0 374.390 4.952 20 5 FJBDRN O=C(Nc1cc(F)ccc1Cl)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000569566245 568407931 /nfs/dbraw/zinc/40/79/31/568407931.db2.gz XXLAMZXVQAOWTK-UHFFFAOYSA-N 0 0 362.666 4.658 20 5 FJBDRN CC(C)c1nc2cc(NC(=O)N(C)Cc3ccccc3[N+](=O)[O-])ccc2o1 ZINC000569735929 568414954 /nfs/dbraw/zinc/41/49/54/568414954.db2.gz GNICSASREJYLFA-UHFFFAOYSA-N 0 0 368.393 4.523 20 5 FJBDRN O=[N+]([O-])c1ccc(N[C@@H]2c3ccccc3CC23CCOCC3)c(Cl)c1 ZINC000570018799 568440858 /nfs/dbraw/zinc/44/08/58/568440858.db2.gz DJNWOUIGLGQWOG-GOSISDBHSA-N 0 0 358.825 4.754 20 5 FJBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H](C)C[C@@H]1c1ccccc1 ZINC000570012475 568449655 /nfs/dbraw/zinc/44/96/55/568449655.db2.gz LMFBWIYDCVZOBU-IFXJQAMLSA-N 0 0 353.422 4.772 20 5 FJBDRN CCn1c(S[C@@H](C)c2cccc([N+](=O)[O-])c2)nnc1-c1cccs1 ZINC000007119977 568451121 /nfs/dbraw/zinc/45/11/21/568451121.db2.gz AYZRYJRBWHXKHQ-NSHDSACASA-N 0 0 360.464 4.788 20 5 FJBDRN Cc1ccc(-c2noc(CO[C@H]3CCCc4ccccc43)n2)cc1[N+](=O)[O-] ZINC000570081422 568457584 /nfs/dbraw/zinc/45/75/84/568457584.db2.gz NCEXSJRJKTYZNN-SFHVURJKSA-N 0 0 365.389 4.547 20 5 FJBDRN CC(C)Oc1ccc(-c2noc([C@@H](C)c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000570198639 568460822 /nfs/dbraw/zinc/46/08/22/568460822.db2.gz GIPXNJFTQVXSJB-ZDUSSCGKSA-N 0 0 353.378 4.584 20 5 FJBDRN C[C@@H](C(=O)N1CCCC[C@H]1c1ccc(F)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000570232818 568463850 /nfs/dbraw/zinc/46/38/50/568463850.db2.gz FOFJCDJEHFJQOI-YJYMSZOUSA-N 0 0 374.387 4.730 20 5 FJBDRN O=[N+]([O-])c1cc(Cl)ccc1CN1CCC(OC2CCCCC2)CC1 ZINC000570360346 568480410 /nfs/dbraw/zinc/48/04/10/568480410.db2.gz RDYDNJLFUPCFBG-UHFFFAOYSA-N 0 0 352.862 4.562 20 5 FJBDRN O=[N+]([O-])c1cc(Cl)ccc1N[C@H]1c2ccccc2CC12CCOCC2 ZINC000570612709 568490974 /nfs/dbraw/zinc/49/09/74/568490974.db2.gz NNXJYZVXBSGYNF-SFHVURJKSA-N 0 0 358.825 4.754 20 5 FJBDRN Cc1cccc(C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)c1[N+](=O)[O-] ZINC000007407696 568504885 /nfs/dbraw/zinc/50/48/85/568504885.db2.gz DPZYVZCKLLLRFU-JTQLQIEISA-N 0 0 353.205 4.701 20 5 FJBDRN C[C@@H](N[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccccc1Cl ZINC000007499660 568523518 /nfs/dbraw/zinc/52/35/18/568523518.db2.gz DWOGWRGVEQKZOI-NEPJUHHUSA-N 0 0 372.812 4.710 20 5 FJBDRN C[C@@H](NC(=O)N1CC(C)(C)[C@@H]1c1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000482247719 568532890 /nfs/dbraw/zinc/53/28/90/568532890.db2.gz XDUCGRIIEVNCEO-WBMJQRKESA-N 0 0 359.451 4.510 20 5 FJBDRN C[C@@H](Sc1ccc(F)c(Cl)c1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000007582868 568534380 /nfs/dbraw/zinc/53/43/80/568534380.db2.gz YQBRCGWIVNPEQR-SECBINFHSA-N 0 0 354.790 4.507 20 5 FJBDRN CCn1c(S[C@@H](C)c2ccncc2)nc2cc3ccccc3cc2c1=O ZINC000605076742 568554551 /nfs/dbraw/zinc/55/45/51/568554551.db2.gz YQZPXKKWVGDQRI-AWEZNQCLSA-N 0 0 361.470 4.818 20 5 FJBDRN O=C(Nc1nc(-c2cccs2)cs1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000006226345 210085473 /nfs/dbraw/zinc/08/54/73/210085473.db2.gz BLIRDXMHJILBNM-UHFFFAOYSA-N 0 0 365.823 4.686 20 5 FJBDRN Cc1nc(-c2ccc(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)cc2)cs1 ZINC000007437741 204297925 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COc1ccc([N+](=O)[O-])cc1NC(=O)c1oc2c(cccc2Cl)c1C ZINC000019159617 211203224 /nfs/dbraw/zinc/20/32/24/211203224.db2.gz YWARPXNPAOODOX-UHFFFAOYSA-N 0 0 360.753 4.564 20 5 FJBDRN Cc1nc(-c2ccc(F)cc2)sc1C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000017340448 211184645 /nfs/dbraw/zinc/18/46/45/211184645.db2.gz DKKAXJRULHBDFA-UHFFFAOYSA-N 0 0 371.393 4.727 20 5 FJBDRN Cc1cccc(-c2nc(CC(=O)Nc3cc([N+](=O)[O-])ccc3C)cs2)c1 ZINC000015629642 211134165 /nfs/dbraw/zinc/13/41/65/211134165.db2.gz ARXKFIUVCYIZFW-UHFFFAOYSA-N 0 0 367.430 4.516 20 5 FJBDRN O=C(Nc1ccc(Cl)cc1F)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000007474831 210741938 /nfs/dbraw/zinc/74/19/38/210741938.db2.gz RWEJDUZRECUACL-UHFFFAOYSA-N 0 0 350.758 4.854 20 5 FJBDRN O=C(Nc1ccc(OC2CCCC2)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 ZINC000065695185 221235413 /nfs/dbraw/zinc/23/54/13/221235413.db2.gz ZNIMKIKGWOITGC-UHFFFAOYSA-N 0 0 360.797 4.822 20 5 FJBDRN Cc1ccccc1-c1csc(NC(=O)c2ccc([N+](=O)[O-])cc2C)n1 ZINC000072068783 221401090 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367.405 4.854 20 5 FJBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](c1ccc(F)cc1)C1CCC1 ZINC000517908839 567914963 /nfs/dbraw/zinc/91/49/63/567914963.db2.gz MUGLHDKOJKEFNB-GOSISDBHSA-N 0 0 357.385 4.705 20 5 FJBDRN Cc1ccc(C[C@@H]2CCCN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3)C2)cc1 ZINC000568442219 568038358 /nfs/dbraw/zinc/03/83/58/568038358.db2.gz ZBBGMKVGPCQRHE-INIZCTEOSA-N 0 0 372.852 4.652 20 5 FJBDRN COc1ccc(NC(=O)c2cc3ccccc3c3cccnc23)cc1OC ZINC000514512411 568048064 /nfs/dbraw/zinc/04/80/64/568048064.db2.gz IQKWYKRNZYHPSG-UHFFFAOYSA-N 0 0 358.397 4.658 20 5 FJBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1cc(C)sc1C ZINC000481654987 568082179 /nfs/dbraw/zinc/08/21/79/568082179.db2.gz HQLBDYPHYJSWOW-LLVKDONJSA-N 0 0 364.492 4.876 20 5 FJBDRN Cc1cc(C(=O)N[C@H](c2ccccc2)c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000481714893 568094008 /nfs/dbraw/zinc/09/40/08/568094008.db2.gz VKWVTDOAPPJKGV-HXUWFJFHSA-N 0 0 364.376 4.562 20 5 FJBDRN CCOc1ccc2c(c1)[C@@H](C)CC(C)(C)N2C(=O)c1ccc([N+](=O)[O-])s1 ZINC000603495141 568108188 /nfs/dbraw/zinc/10/81/88/568108188.db2.gz VVALICAGEXDTAN-LBPRGKRZSA-N 0 0 374.462 4.988 20 5 FJBDRN CC(C)CO[C@H](C)c1noc(CS[C@@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000072909687 568109450 /nfs/dbraw/zinc/10/94/50/568109450.db2.gz MSZPMHYJBPXRRO-OLZOCXBDSA-N 0 0 365.455 4.706 20 5 FJBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H](C)C[C@H]2c2ccccc2)c1 ZINC000568679227 568120270 /nfs/dbraw/zinc/12/02/70/568120270.db2.gz WXFKYYNPCQMGSG-ACJLOTCBSA-N 0 0 356.447 4.540 20 5 FJBDRN CC(=O)c1ccc(N[C@H]2CC(C)(C)Oc3cc(F)ccc32)c([N+](=O)[O-])c1 ZINC000481838755 568146364 /nfs/dbraw/zinc/14/63/64/568146364.db2.gz QJTKUJXDRQSCCD-INIZCTEOSA-N 0 0 358.369 4.651 20 5 FJBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCc1c(Cl)cccc1Cl ZINC000568737457 568150696 /nfs/dbraw/zinc/15/06/96/568150696.db2.gz KQBCEMOXRQMIAV-UHFFFAOYSA-N 0 0 373.623 4.793 20 5 FJBDRN O=C(COc1ccc(-c2ccccc2)cc1[N+](=O)[O-])c1ccccc1F ZINC000517912530 568164943 /nfs/dbraw/zinc/16/49/43/568164943.db2.gz RVYZXJAIJBTRMR-UHFFFAOYSA-N 0 0 351.333 4.663 20 5 FJBDRN O=C(N[C@@H](c1ccccc1)C(F)F)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000481939368 568193981 /nfs/dbraw/zinc/19/39/81/568193981.db2.gz ADNYCEAFDUTKSO-HNNXBMFYSA-N 0 0 362.357 4.546 20 5 FJBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000007474493 568234783 /nfs/dbraw/zinc/23/47/83/568234783.db2.gz OCEBJHXNCCQHCQ-SECBINFHSA-N 0 0 354.790 4.507 20 5 FJBDRN Cc1cc(F)ccc1NC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000007751365 568253239 /nfs/dbraw/zinc/25/32/39/568253239.db2.gz RWGQRFSCBKACJU-CYBMUJFWSA-N 0 0 371.412 4.531 20 5 FJBDRN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)Nc1cnn(CC(C)C)c1C1CC1 ZINC000482076260 568254473 /nfs/dbraw/zinc/25/44/73/568254473.db2.gz MZSQSGFCTNMOJJ-UHFFFAOYSA-N 0 0 371.441 4.586 20 5 FJBDRN Cc1cc(C)c([N+](=O)[O-])c(Oc2ccc(C(=O)Nc3ccccc3)cc2)n1 ZINC000541934617 568258903 /nfs/dbraw/zinc/25/89/03/568258903.db2.gz RPVCKQQSGPHKSY-UHFFFAOYSA-N 0 0 363.373 4.651 20 5 FJBDRN Cc1cccc(N2C(=O)c3ccccc3N[C@@H]2c2cccc([N+](=O)[O-])c2)c1 ZINC000007889600 568260940 /nfs/dbraw/zinc/26/09/40/568260940.db2.gz NVGMVYRKPZAENM-FQEVSTJZSA-N 0 0 359.385 4.674 20 5 FJBDRN O=[N+]([O-])c1ccc(NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)s1 ZINC000604408744 568269697 /nfs/dbraw/zinc/26/96/97/568269697.db2.gz GFYWPKJBIBCOMS-RNFRBKRXSA-N 0 0 362.295 4.978 20 5 FJBDRN Cc1ccc(-c2csc3ncnc(Oc4cccnc4[N+](=O)[O-])c23)cc1 ZINC000007983388 568274531 /nfs/dbraw/zinc/27/45/31/568274531.db2.gz KNDMURVFHQQDRP-UHFFFAOYSA-N 0 0 364.386 4.762 20 5 FJBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000569041024 568278238 /nfs/dbraw/zinc/27/82/38/568278238.db2.gz MXYDNHZOQBNMCH-QGZVFWFLSA-N 0 0 371.412 4.535 20 5 FJBDRN Cc1cc([C@@H](C)NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c(C)s1 ZINC000482143906 568285036 /nfs/dbraw/zinc/28/50/36/568285036.db2.gz SYYISUIZBAEWOZ-SNVBAGLBSA-N 0 0 360.460 4.979 20 5 FJBDRN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1C[C@H](C)C[C@@H]1c1ccccc1 ZINC000482160018 568297377 /nfs/dbraw/zinc/29/73/77/568297377.db2.gz QTTVKKSSZQTRPN-BFUOFWGJSA-N 0 0 353.422 4.827 20 5 FJBDRN CC(C)(C)C[C@@H](NC(=O)NCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000604474764 568299080 /nfs/dbraw/zinc/29/90/80/568299080.db2.gz OLTGTUSLKJEORQ-GOSISDBHSA-N 0 0 355.438 4.572 20 5 FJBDRN Cc1c2ccccc2oc1[C@H](C)NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000482168323 568300101 /nfs/dbraw/zinc/30/01/01/568300101.db2.gz HGRCVVJTJKNXIA-OLZOCXBDSA-N 0 0 370.380 4.769 20 5 FJBDRN Cc1c2ccccc2oc1[C@H](C)NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000482170320 568300320 /nfs/dbraw/zinc/30/03/20/568300320.db2.gz MXJDANSBIIOSAR-AWEZNQCLSA-N 0 0 366.417 4.804 20 5 FJBDRN Cc1ncc([N+](=O)[O-])cc1-c1nc(-c2ccc(-c3ccccc3)cc2)no1 ZINC000609476106 568322882 /nfs/dbraw/zinc/32/28/82/568322882.db2.gz UBFUEHHWVGORBO-UHFFFAOYSA-N 0 0 358.357 4.682 20 5 FJBDRN Cc1ccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c2cccnc12 ZINC000031084024 568323287 /nfs/dbraw/zinc/32/32/87/568323287.db2.gz UEULVYODWWMDAX-UHFFFAOYSA-N 0 0 363.398 4.918 20 5 FJBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)C1(c2cccc(Cl)c2)CCCC1 ZINC000032166871 568368343 /nfs/dbraw/zinc/36/83/43/568368343.db2.gz MVUPSFMQPANNTR-UHFFFAOYSA-N 0 0 372.852 4.719 20 5 FJBDRN COc1cc(Cl)c(C)cc1NC(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000005509369 568390445 /nfs/dbraw/zinc/39/04/45/568390445.db2.gz NRVBYZGMRLAAOA-UHFFFAOYSA-N 0 0 366.826 4.539 20 5 FJBDRN CCCN(C(=O)C1CC(c2cccc(F)c2)C1)c1cccc([N+](=O)[O-])c1 ZINC000569422637 568401821 /nfs/dbraw/zinc/40/18/21/568401821.db2.gz LTDWDTUUULISCZ-UHFFFAOYSA-N 0 0 356.397 4.671 20 5 FJBDRN C[C@H](C(=O)N(C1CC1)[C@H]1CCCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000569426949 568402040 /nfs/dbraw/zinc/40/20/40/568402040.db2.gz HJZJAICKDAAHSW-BTYIYWSLSA-N 0 0 364.445 4.767 20 5 FJBDRN C/C=C/c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Br)cc1 ZINC000569616820 568410292 /nfs/dbraw/zinc/41/02/92/568410292.db2.gz BRLIYZXPDZEPCW-NSCUHMNNSA-N 0 0 361.195 4.643 20 5 FJBDRN CCc1nn(C)c(Nc2ccc(N[C@@H](C)c3ccccc3)cc2)c1[N+](=O)[O-] ZINC000569881584 568433164 /nfs/dbraw/zinc/43/31/64/568433164.db2.gz HTWZYOJMWDMUDL-AWEZNQCLSA-N 0 0 365.437 4.807 20 5 FJBDRN C[C@H](C(=O)Nc1ccnc(Oc2ccccc2)c1)c1cccc([N+](=O)[O-])c1 ZINC000570026456 568441831 /nfs/dbraw/zinc/44/18/31/568441831.db2.gz IKHOEEZLJIYSAV-AWEZNQCLSA-N 0 0 363.373 4.524 20 5 FJBDRN C[C@H](Nc1c(F)cccc1[N+](=O)[O-])c1nc2ccccc2n1C(F)F ZINC000569951392 568444124 /nfs/dbraw/zinc/44/41/24/568444124.db2.gz RPODHGJMNSMNFC-VIFPVBQESA-N 0 0 350.300 4.652 20 5 FJBDRN O=[N+]([O-])c1ccccc1CSc1nc(C(F)(F)F)nc2ccccc21 ZINC000007160695 568460313 /nfs/dbraw/zinc/46/03/13/568460313.db2.gz KSFKZTNKJDRQGL-UHFFFAOYSA-N 0 0 365.336 4.849 20 5 FJBDRN C[C@H](Sc1nnc(-c2ccccc2Cl)n1C)c1cccc([N+](=O)[O-])c1 ZINC000007174032 568463920 /nfs/dbraw/zinc/46/39/20/568463920.db2.gz RFDHTCZHYOQPJD-NSHDSACASA-N 0 0 374.853 4.897 20 5 FJBDRN C[C@H](NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])c1c(F)cccc1Cl ZINC000570417679 568475354 /nfs/dbraw/zinc/47/53/54/568475354.db2.gz RNMMAAMIZXOWQY-NSHDSACASA-N 0 0 364.804 4.542 20 5 FJBDRN Cc1ccc(OCc2nc(-c3ccc(C(C)C)cc3)no2)c([N+](=O)[O-])c1 ZINC000007465917 568519659 /nfs/dbraw/zinc/51/96/59/568519659.db2.gz DGUYOOJHBNYAPL-UHFFFAOYSA-N 0 0 353.378 4.656 20 5 FJBDRN COc1cc([N+](=O)[O-])c(C(=O)Nc2cc(Cl)ccc2C)cc1SC ZINC000482247311 568523551 /nfs/dbraw/zinc/52/35/51/568523551.db2.gz RMMZYQIZHBYDHD-UHFFFAOYSA-N 0 0 366.826 4.539 20 5 FJBDRN CCCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1OCCC ZINC000007525904 568532874 /nfs/dbraw/zinc/53/28/74/568532874.db2.gz XQPBHMVZPPEAFZ-UHFFFAOYSA-N 0 0 372.421 4.733 20 5 FJBDRN Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000128803139 568537393 /nfs/dbraw/zinc/53/73/93/568537393.db2.gz TVPQCGUPSWPJLQ-LBPRGKRZSA-N 0 0 362.455 4.708 20 5 FJBDRN CC(C)n1c(S[C@@H](C)c2cccc([N+](=O)[O-])c2)nc2ccccc2c1=O ZINC000007620101 568542192 /nfs/dbraw/zinc/54/21/92/568542192.db2.gz WGQSVQOVCUODIH-ZDUSSCGKSA-N 0 0 369.446 4.739 20 5 FJBDRN O=[N+]([O-])c1ccc(Sc2nnc(C3CC3)n2-c2ccccc2)c(Cl)c1 ZINC000022420336 210158408 /nfs/dbraw/zinc/15/84/08/210158408.db2.gz YIOMDKFYNVLNRC-UHFFFAOYSA-N 0 0 372.837 4.858 20 5 FJBDRN Cc1ccc(-c2csc(NC(=O)Cc3ccccc3[N+](=O)[O-])n2)cc1C ZINC000006967568 210091199 /nfs/dbraw/zinc/09/11/99/210091199.db2.gz NLKDFQAXFIPMIH-UHFFFAOYSA-N 0 0 367.430 4.516 20 5 FJBDRN O=C(Nc1nc(-c2ccccc2)cs1)c1ccc([N+](=O)[O-])cc1Cl ZINC000005491291 210083184 /nfs/dbraw/zinc/08/31/84/210083184.db2.gz RYZKOFUNWPGUCB-UHFFFAOYSA-N 0 0 359.794 4.624 20 5 FJBDRN O=[N+]([O-])c1cc(CSc2ccc3ccccc3c2)c2c(c1)COCO2 ZINC000003382363 210077997 /nfs/dbraw/zinc/07/79/97/210077997.db2.gz NRULWEMGBLOBAU-UHFFFAOYSA-N 0 0 353.399 4.907 20 5 FJBDRN CCc1ccc(-c2csc(NC(=O)c3ccccc3[N+](=O)[O-])n2)cc1 ZINC000001512066 210075443 /nfs/dbraw/zinc/07/54/43/210075443.db2.gz XBALSUWKCBYGIU-UHFFFAOYSA-N 0 0 353.403 4.533 20 5 FJBDRN Cc1ccc(SCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1C ZINC000005017014 204184837 /nfs/dbraw/zinc/18/48/37/204184837.db2.gz GDFYQVWKHABVFG-UHFFFAOYSA-N 0 0 350.827 4.596 20 5 FJBDRN O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1ccc(-c2ccccc2)cc1 ZINC000007765916 204306829 /nfs/dbraw/zinc/30/68/29/204306829.db2.gz CXWAFWVEYOUGLS-UHFFFAOYSA-N 0 0 364.426 4.993 20 5 FJBDRN Cc1ccc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1C ZINC000007536198 204300802 /nfs/dbraw/zinc/30/08/02/204300802.db2.gz UGYYSKGIXHEXTN-UHFFFAOYSA-N 0 0 350.827 4.596 20 5 FJBDRN CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000025470538 204837777 /nfs/dbraw/zinc/83/77/77/204837777.db2.gz RCDWNUSZXWVQJG-UHFFFAOYSA-N 0 0 359.234 4.625 20 5 FJBDRN Cc1sc(NC(=O)c2cccc([N+](=O)[O-])c2)nc1-c1cccc(Cl)c1 ZINC000040926348 205085710 /nfs/dbraw/zinc/08/57/10/205085710.db2.gz FUKRFXUQMVQXJV-UHFFFAOYSA-N 0 0 373.821 4.932 20 5 FJBDRN CC(C)(C)c1nnc(NC(=O)c2cc3ccccc3c3cccnc23)s1 ZINC000055977191 205227344 /nfs/dbraw/zinc/22/73/44/205227344.db2.gz BVJHNZMPVLNGHK-UHFFFAOYSA-N 0 0 362.458 4.789 20 5 FJBDRN O=C(c1ccccc1[N+](=O)[O-])N(Cc1cccs1)c1ccc(F)cc1 ZINC000059781673 205281660 /nfs/dbraw/zinc/28/16/60/205281660.db2.gz WEPLILAVEPHWLP-UHFFFAOYSA-N 0 0 356.378 4.642 20 5 FJBDRN O=C(NCCSc1ccccc1)c1cc2ccccc2c2cccnc12 ZINC000107527607 206019950 /nfs/dbraw/zinc/01/99/50/206019950.db2.gz DWFXJIWGGWSZHE-UHFFFAOYSA-N 0 0 358.466 4.910 20 5 FJBDRN Cc1sc(C(=O)Nc2ccc(Oc3ccc(C)cc3)nc2)cc1[N+](=O)[O-] ZINC000107912888 206025696 /nfs/dbraw/zinc/02/56/96/206025696.db2.gz PVJADGHMFKBCKL-UHFFFAOYSA-N 0 0 369.402 4.713 20 5 FJBDRN CCN(Cc1ccccc1Cl)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000071864586 211685829 /nfs/dbraw/zinc/68/58/29/211685829.db2.gz LTMYDUBQSDCOPF-UHFFFAOYSA-N 0 0 353.205 4.564 20 5 FJBDRN CC1CCN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 ZINC000015706424 211138133 /nfs/dbraw/zinc/13/81/33/211138133.db2.gz ATZSSGVIMAHSHF-UHFFFAOYSA-N 0 0 374.824 4.913 20 5 FJBDRN Cc1cccc(NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 ZINC000015351932 211127762 /nfs/dbraw/zinc/12/77/62/211127762.db2.gz HUNQLBQWHUHQBT-UHFFFAOYSA-N 0 0 370.352 4.653 20 5 FJBDRN Cc1nc2ccccc2c2c(NC(=O)c3ccncc3)c3ccccc3n21 ZINC000014912680 211103959 /nfs/dbraw/zinc/10/39/59/211103959.db2.gz CQIIDTYMENSVFW-UHFFFAOYSA-N 0 0 352.397 4.596 20 5 FJBDRN COc1cc(/C=C/c2ccc3c(cccc3[N+](=O)[O-])n2)ccc1OC(F)F ZINC000006640499 210683289 /nfs/dbraw/zinc/68/32/89/210683289.db2.gz TWWBQXHJVNOWOQ-FNORWQNLSA-N 0 0 372.327 4.923 20 5 FJBDRN Cc1c(NC(=O)CSc2ccc3ccccc3c2)cccc1[N+](=O)[O-] ZINC000003382382 210472355 /nfs/dbraw/zinc/47/23/55/210472355.db2.gz KCQPIOHGPOCOFJ-UHFFFAOYSA-N 0 0 352.415 4.787 20 5 FJBDRN Cc1ccc(C(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)c(C)c1 ZINC000071814889 221379858 /nfs/dbraw/zinc/37/98/58/221379858.db2.gz JEPMTCVQYNTJCA-UHFFFAOYSA-N 0 0 367.430 4.896 20 5 FJBDRN O=C(N[C@H](c1ccccc1)C1CCCC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000071935092 221387361 /nfs/dbraw/zinc/38/73/61/221387361.db2.gz AZAFAPLYCQQJMA-GOSISDBHSA-N 0 0 358.825 4.910 20 5 FJBDRN Cc1ccc(NC(=O)N2CCC[C@@H]2c2ccccc2Cl)cc1[N+](=O)[O-] ZINC000071943357 221388828 /nfs/dbraw/zinc/38/88/28/221388828.db2.gz YLDBLOWOFRRBKX-MRXNPFEDSA-N 0 0 359.813 4.926 20 5 FJBDRN O=[N+]([O-])c1ccc(NCC2(c3ccc(F)cc3)CCOCC2)c(Cl)c1 ZINC000072020274 221397535 /nfs/dbraw/zinc/39/75/35/221397535.db2.gz ALRCOJDUPHXTRT-UHFFFAOYSA-N 0 0 364.804 4.548 20 5 FJBDRN O=[N+]([O-])c1ccc(OCc2ncc(-c3ccccc3)o2)c(C(F)(F)F)c1 ZINC000072033544 221398132 /nfs/dbraw/zinc/39/81/32/221398132.db2.gz OBHDVWHTYGMKTH-UHFFFAOYSA-N 0 0 364.279 4.848 20 5 FJBDRN CCN(C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](C)c1cccc(O)c1 ZINC000072032480 221398381 /nfs/dbraw/zinc/39/83/81/221398381.db2.gz HOPRRXVCIBPICN-LLVKDONJSA-N 0 0 363.801 4.569 20 5 FJBDRN Cc1cc(F)c2c(c1)CCCN2C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000107827429 132241846 /nfs/dbraw/zinc/24/18/46/132241846.db2.gz YOHSBMRCJSGVTR-ZDUSSCGKSA-N 0 0 374.437 4.502 20 5 FJBDRN CC(C)c1cccc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000008021117 132305342 /nfs/dbraw/zinc/30/53/42/132305342.db2.gz RUMYVTSJJSJPAQ-UHFFFAOYSA-N 0 0 367.449 4.573 20 5 FJBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)CC(C)(C)c2ccccc2)c1 ZINC000109208873 222448263 /nfs/dbraw/zinc/44/82/63/222448263.db2.gz SQWQNPKKQONIRH-CQSZACIVSA-N 0 0 372.490 4.803 20 5 FJBDRN CC(C)c1nc2cc(NC(=O)Nc3ccc([N+](=O)[O-])cc3F)ccc2o1 ZINC000541785871 567821742 /nfs/dbraw/zinc/82/17/42/567821742.db2.gz MOTYMBZWAJGCQL-UHFFFAOYSA-N 0 0 358.329 4.643 20 5 FJBDRN CN(Cc1cc(Cl)cc(Cl)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000541786245 567830185 /nfs/dbraw/zinc/83/01/85/567830185.db2.gz HRDYFIRXMKYRKP-UHFFFAOYSA-N 0 0 372.183 4.705 20 5 FJBDRN Cc1c(NC(=O)N2C[C@H](c3ccccc3)[C@H]3CCC[C@H]32)cccc1[N+](=O)[O-] ZINC000568076790 567850468 /nfs/dbraw/zinc/85/04/68/567850468.db2.gz XXRBHUKMACKKKD-MBOZVWFJSA-N 0 0 365.433 4.703 20 5 FJBDRN Cc1cc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)sc1C ZINC000601908617 567872037 /nfs/dbraw/zinc/87/20/37/567872037.db2.gz KMBYNARHGNMDOC-UHFFFAOYSA-N 0 0 359.432 4.649 20 5 FJBDRN Cc1c(Cl)cccc1NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000120360994 567892162 /nfs/dbraw/zinc/89/21/62/567892162.db2.gz BUUNAMYCJODWPT-UHFFFAOYSA-N 0 0 359.813 4.753 20 5 FJBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](c1ccc(F)cc1)C1CCC1 ZINC000517908840 567914982 /nfs/dbraw/zinc/91/49/82/567914982.db2.gz MUGLHDKOJKEFNB-SFHVURJKSA-N 0 0 357.385 4.705 20 5 FJBDRN Cc1c(CNC(=O)[C@H](C)c2ccc(Cl)c(Cl)c2)cccc1[N+](=O)[O-] ZINC000481468956 567965102 /nfs/dbraw/zinc/96/51/02/567965102.db2.gz XOLZNWWADIMVAS-LLVKDONJSA-N 0 0 367.232 4.630 20 5 FJBDRN Cc1c(CNC(=O)c2ccc(Cl)cc2C(F)(F)F)cccc1[N+](=O)[O-] ZINC000481490480 567988471 /nfs/dbraw/zinc/98/84/71/567988471.db2.gz KGCJGHNCIWECJS-UHFFFAOYSA-N 0 0 372.730 4.505 20 5 FJBDRN CC[C@H](NC(=O)c1cc(C(C)C)c(O)cc1C)c1cccc([N+](=O)[O-])c1 ZINC000436608675 568033505 /nfs/dbraw/zinc/03/35/05/568033505.db2.gz JWHSVNIFLYVGDV-SFHVURJKSA-N 0 0 356.422 4.613 20 5 FJBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)N(C)Cc1ccc(Cl)s1 ZINC000568452571 568039382 /nfs/dbraw/zinc/03/93/82/568039382.db2.gz FDAOHGOCSPUZQJ-UHFFFAOYSA-N 0 0 353.831 4.536 20 5 FJBDRN COc1cc(Cl)c(Cl)cc1NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000568579591 568059112 /nfs/dbraw/zinc/05/91/12/568059112.db2.gz YUOASLQMTDEJRV-VIFPVBQESA-N 0 0 369.204 4.652 20 5 FJBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1cc(C)sc1C ZINC000481654990 568081481 /nfs/dbraw/zinc/08/14/81/568081481.db2.gz HQLBDYPHYJSWOW-NSHDSACASA-N 0 0 364.492 4.876 20 5 FJBDRN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H]1c1cccs1 ZINC000043342919 568120320 /nfs/dbraw/zinc/12/03/20/568120320.db2.gz RTACHKBXKJKJJP-CYBMUJFWSA-N 0 0 351.815 4.679 20 5 FJBDRN O=C(c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)N1CC[C@H](C2CC2)C1 ZINC000481804308 568131794 /nfs/dbraw/zinc/13/17/94/568131794.db2.gz DLOBLIBKAJANQX-INIZCTEOSA-N 0 0 368.458 4.618 20 5 FJBDRN C[C@@H](C(=O)Nc1ccc(COC2CCCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000568705724 568133950 /nfs/dbraw/zinc/13/39/50/568133950.db2.gz ZZBRBFKKWMTEAA-OAHLLOKOSA-N 0 0 368.433 4.796 20 5 FJBDRN Cc1c2ccccc2oc1[C@@H](C)NC(=O)CSc1ccccc1[N+](=O)[O-] ZINC000481823986 568136319 /nfs/dbraw/zinc/13/63/19/568136319.db2.gz WQBBJTFMUHPALC-CYBMUJFWSA-N 0 0 370.430 4.619 20 5 FJBDRN COCc1cc([N+](=O)[O-])ccc1NCCc1csc(-c2ccccc2)n1 ZINC000481825619 568138451 /nfs/dbraw/zinc/13/84/51/568138451.db2.gz PITHHLJKAFYWEQ-UHFFFAOYSA-N 0 0 369.446 4.519 20 5 FJBDRN C[C@H](SCc1cccc(Cl)c1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000517912331 568141292 /nfs/dbraw/zinc/14/12/92/568141292.db2.gz AFFFBCNFAKSKPF-NSHDSACASA-N 0 0 350.827 4.509 20 5 FJBDRN CC(C)N(C(=O)c1ccc([N+](=O)[O-])s1)c1cccc(C(F)(F)F)c1 ZINC000159326602 568143728 /nfs/dbraw/zinc/14/37/28/568143728.db2.gz GZQOYFLSRHYGMJ-UHFFFAOYSA-N 0 0 358.341 4.730 20 5 FJBDRN O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000481927982 568189297 /nfs/dbraw/zinc/18/92/97/568189297.db2.gz ZZFCTQKVDINYKM-CQSZACIVSA-N 0 0 357.385 4.536 20 5 FJBDRN O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000603999661 568197577 /nfs/dbraw/zinc/19/75/77/568197577.db2.gz BHAMYTDGXKCEKK-UHFFFAOYSA-N 0 0 365.216 4.706 20 5 FJBDRN CN(C(=O)CC1(C)CCCC1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC000568777282 568205463 /nfs/dbraw/zinc/20/54/63/568205463.db2.gz XOFVANYGELOXHX-UHFFFAOYSA-N 0 0 359.451 4.652 20 5 FJBDRN Cc1nc(CC(C)C)oc1C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000568787117 568215325 /nfs/dbraw/zinc/21/53/25/568215325.db2.gz JDHVCNBHCXDPSR-UHFFFAOYSA-N 0 0 359.426 4.640 20 5 FJBDRN Cc1cccc2sc(NC(=O)[C@@H](C)Sc3ccc([N+](=O)[O-])cc3)nc21 ZINC000007472651 568234703 /nfs/dbraw/zinc/23/47/03/568234703.db2.gz JKYHDUSHWWFAFW-LLVKDONJSA-N 0 0 373.459 4.632 20 5 FJBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000007474487 568234773 /nfs/dbraw/zinc/23/47/73/568234773.db2.gz OCEBJHXNCCQHCQ-VIFPVBQESA-N 0 0 354.790 4.507 20 5 FJBDRN Cc1ccc(NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)c(Cl)c1 ZINC000007473765 568234782 /nfs/dbraw/zinc/23/47/82/568234782.db2.gz SOYCDKSHOJNPDM-NSHDSACASA-N 0 0 350.827 4.676 20 5 FJBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000007474923 568234832 /nfs/dbraw/zinc/23/48/32/568234832.db2.gz CTXAQXMQAMQORC-SNVBAGLBSA-N 0 0 370.352 4.733 20 5 FJBDRN Cc1cccc(C(=O)Nc2nc3c(ccc4ccccc34)s2)c1[N+](=O)[O-] ZINC000007670792 568251627 /nfs/dbraw/zinc/25/16/27/568251627.db2.gz QZYZMCQRHRVZBE-UHFFFAOYSA-N 0 0 363.398 4.918 20 5 FJBDRN CCCc1nc(-c2noc(-c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)n2)co1 ZINC000568917455 568252081 /nfs/dbraw/zinc/25/20/81/568252081.db2.gz RMRVZEKIWFHMRX-UHFFFAOYSA-N 0 0 356.382 4.550 20 5 FJBDRN Cc1cccc(N2C(=O)c3ccccc3N[C@H]2c2ccccc2[N+](=O)[O-])c1 ZINC000007889610 568260944 /nfs/dbraw/zinc/26/09/44/568260944.db2.gz XOXXNZVYDQYENM-HXUWFJFHSA-N 0 0 359.385 4.674 20 5 FJBDRN C[C@@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)N(c2ncccc2[N+](=O)[O-])C1 ZINC000482094308 568263465 /nfs/dbraw/zinc/26/34/65/568263465.db2.gz JQJJOCGDWXNGIO-ABAIWWIYSA-N 0 0 351.328 4.596 20 5 FJBDRN C[C@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)N(c2ncccc2[N+](=O)[O-])C1 ZINC000482094564 568263803 /nfs/dbraw/zinc/26/38/03/568263803.db2.gz JQJJOCGDWXNGIO-NHYWBVRUSA-N 0 0 351.328 4.596 20 5 FJBDRN C[C@@H]1C[C@H](c2ccc(C(F)(F)F)cc2)N(c2ccc([N+](=O)[O-])nc2)C1 ZINC000482100586 568268197 /nfs/dbraw/zinc/26/81/97/568268197.db2.gz OGTCSAVJXDMADT-IAQYHMDHSA-N 0 0 351.328 4.596 20 5 FJBDRN C[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)N(c2ccc([N+](=O)[O-])nc2)C1 ZINC000482100588 568268212 /nfs/dbraw/zinc/26/82/12/568268212.db2.gz OGTCSAVJXDMADT-XHDPSFHLSA-N 0 0 351.328 4.596 20 5 FJBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc3ncccc3c2)no1 ZINC000569132748 568285812 /nfs/dbraw/zinc/28/58/12/568285812.db2.gz KFPCVHHMPZRBKG-OAHLLOKOSA-N 0 0 374.400 4.929 20 5 FJBDRN O=C(NCc1cccc([N+](=O)[O-])c1)Nc1ccccc1Cc1ccccc1 ZINC000604476170 568299313 /nfs/dbraw/zinc/29/93/13/568299313.db2.gz BDIXCRWSTJRZPT-UHFFFAOYSA-N 0 0 361.401 4.507 20 5 FJBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)c1nc(-c2cccc3[nH]ccc32)no1 ZINC000569288645 568334729 /nfs/dbraw/zinc/33/47/29/568334729.db2.gz VPUSYPOPBVVWKD-CQSZACIVSA-N 0 0 362.389 4.862 20 5 FJBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H]1c1ccccc1OC ZINC000569294128 568342197 /nfs/dbraw/zinc/34/21/97/568342197.db2.gz JBOXAKATVWMCGE-GOSISDBHSA-N 0 0 369.421 4.535 20 5 FJBDRN CCc1ccc(-c2csc(NC(=O)c3cc([N+](=O)[O-])c(C)s3)n2)cc1 ZINC000032061884 568345656 /nfs/dbraw/zinc/34/56/56/568345656.db2.gz NPXOSTVKRYZXMS-UHFFFAOYSA-N 0 0 373.459 4.903 20 5 FJBDRN C[C@H](SCc1csc(-c2ncccn2)n1)c1cccc([N+](=O)[O-])c1 ZINC000517940626 568345720 /nfs/dbraw/zinc/34/57/20/568345720.db2.gz YXUBZXJRJHFPFF-NSHDSACASA-N 0 0 358.448 4.503 20 5 FJBDRN Cc1cc([N+](=O)[O-])ccc1-c1noc(C2(Oc3ccc(Cl)cc3)CC2)n1 ZINC000569409022 568401198 /nfs/dbraw/zinc/40/11/98/568401198.db2.gz JLZPXFQCVWWEDT-UHFFFAOYSA-N 0 0 371.780 4.675 20 5 FJBDRN C[C@H](C(=O)N(C1CC1)[C@@H]1CCCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000569426952 568402062 /nfs/dbraw/zinc/40/20/62/568402062.db2.gz HJZJAICKDAAHSW-YCRPNKLZSA-N 0 0 364.445 4.767 20 5 FJBDRN CC(C)(C)c1ccc(C(=O)Nc2cccnc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000569526954 568405480 /nfs/dbraw/zinc/40/54/80/568405480.db2.gz LBDDLVYEQOZBTJ-UHFFFAOYSA-N 0 0 367.327 4.558 20 5 FJBDRN O=C(NCC1Cc2ccccc2C1)c1cc2ccccc2c2cccnc12 ZINC000604951124 568408400 /nfs/dbraw/zinc/40/84/00/568408400.db2.gz BJARDUCVVKOTDR-UHFFFAOYSA-N 0 0 352.437 4.533 20 5 FJBDRN Cc1cc([N+](=O)[O-])ccc1-c1noc(-c2cc3ccc(F)cc3nc2C)n1 ZINC000569896159 568434649 /nfs/dbraw/zinc/43/46/49/568434649.db2.gz YJRYTIUZWQPNIP-UHFFFAOYSA-N 0 0 364.336 4.616 20 5 FJBDRN C[C@@H](C(=O)N(Cc1ccc(Cl)cc1)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000570026142 568441818 /nfs/dbraw/zinc/44/18/18/568441818.db2.gz LLNMZVNKRUIQNI-CYBMUJFWSA-N 0 0 358.825 4.543 20 5 FJBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@H](C)C[C@H]1c1ccccc1 ZINC000570012476 568449607 /nfs/dbraw/zinc/44/96/07/568449607.db2.gz LMFBWIYDCVZOBU-KUHUBIRLSA-N 0 0 353.422 4.772 20 5 FJBDRN CSc1ccc(CN[C@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)cc1 ZINC000570169436 568455342 /nfs/dbraw/zinc/45/53/42/568455342.db2.gz VFSJIFQTAHMNHO-OAHLLOKOSA-N 0 0 356.369 4.710 20 5 FJBDRN CC(C)c1nc2cc(NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])ccc2o1 ZINC000033216367 568470785 /nfs/dbraw/zinc/47/07/85/568470785.db2.gz HCVJZIXBBCHEES-UHFFFAOYSA-N 0 0 359.769 4.765 20 5 FJBDRN O=C(N[C@@H]1CC=C(c2ccc(F)cc2)CC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000482233492 568487053 /nfs/dbraw/zinc/48/70/53/568487053.db2.gz RXFFPVLDRWZRHX-MRXNPFEDSA-N 0 0 374.799 4.753 20 5 FJBDRN O=C(CSCc1ccc(Cl)cc1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000007483632 568526802 /nfs/dbraw/zinc/52/68/02/568526802.db2.gz MZVSWUKREGCUJL-UHFFFAOYSA-N 0 0 371.245 4.774 20 5 FJBDRN O=[N+]([O-])c1ccc(OCc2nc(-c3cccc(Cl)c3)no2)c(Cl)c1 ZINC000007544496 568529910 /nfs/dbraw/zinc/52/99/10/568529910.db2.gz GMYWXBMBHRMJCG-UHFFFAOYSA-N 0 0 366.160 4.531 20 5 FJBDRN CC[C@@H](CN(CC)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)c1ccccc1 ZINC000482263000 568540327 /nfs/dbraw/zinc/54/03/27/568540327.db2.gz ZMUYDJOBMXNXJQ-HNNXBMFYSA-N 0 0 365.433 4.732 20 5 FJBDRN CC(C)n1c(S[C@H](C)c2cccc([N+](=O)[O-])c2)nc2ccccc2c1=O ZINC000007620105 568542139 /nfs/dbraw/zinc/54/21/39/568542139.db2.gz WGQSVQOVCUODIH-CYBMUJFWSA-N 0 0 369.446 4.739 20 5 FJBDRN CN(C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1)C12CC3CC(CC(C3)C1)C2 ZINC001165049366 721986204 /nfs/dbraw/zinc/98/62/04/721986204.db2.gz YNEOSUKRINGUAD-UHFFFAOYSA-N 0 0 371.815 4.593 20 5 FJBDRN Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c(Br)c1 ZINC000003132188 219487943 /nfs/dbraw/zinc/48/79/43/219487943.db2.gz FQGOLGQZNMJMHQ-UHFFFAOYSA-N 0 0 369.602 4.571 20 5 FJBDRN Cc1c(Cl)cccc1NC(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000007670186 209510504 /nfs/dbraw/zinc/51/05/04/209510504.db2.gz HDNNUHVTLKDBFE-UHFFFAOYSA-N 0 0 369.602 4.571 20 5 FJBDRN Cc1ccc(OCCNC(=O)c2cc3ccccc3c3cccnc23)cc1 ZINC000107512401 209276826 /nfs/dbraw/zinc/27/68/26/209276826.db2.gz WROKXYYATYWLQD-UHFFFAOYSA-N 0 0 356.425 4.505 20 5 FJBDRN O=C(Nc1cccc(OCc2ccc(F)cc2)c1)c1ccc([N+](=O)[O-])s1 ZINC000105876912 209269690 /nfs/dbraw/zinc/26/96/90/209269690.db2.gz LGSHLPIBDZDIPH-UHFFFAOYSA-N 0 0 372.377 4.627 20 5 FJBDRN O=C(Nc1cc(Cl)ccc1Cl)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000014427070 220124523 /nfs/dbraw/zinc/12/45/23/220124523.db2.gz OOGUCYSXODNAIV-UHFFFAOYSA-N 0 0 366.204 4.728 20 5 FJBDRN Cc1ccc(NC(=O)c2cc(Br)ccc2Cl)cc1[N+](=O)[O-] ZINC000015409987 220153985 /nfs/dbraw/zinc/15/39/85/220153985.db2.gz NEDAFWZJHOIYNO-UHFFFAOYSA-N 0 0 369.602 4.571 20 5 FJBDRN Cc1nc(-c2ccc(F)cc2)sc1C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000015629555 220158142 /nfs/dbraw/zinc/15/81/42/220158142.db2.gz VREAWRPURCDUKW-UHFFFAOYSA-N 0 0 371.393 4.727 20 5 FJBDRN CCOc1cc(/C=C/c2nc3cc([N+](=O)[O-])ccc3s2)ccc1OC ZINC000006614929 207149100 /nfs/dbraw/zinc/14/91/00/207149100.db2.gz GYDUEGBYBWFYLZ-WEVVVXLNSA-N 0 0 356.403 4.782 20 5 FJBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1cc(Cl)ccc1Cl ZINC000007253974 207192176 /nfs/dbraw/zinc/19/21/76/207192176.db2.gz IVYLXNGYABPQTC-UHFFFAOYSA-N 0 0 371.245 4.941 20 5 FJBDRN Cc1csc(NC(=O)c2ccc(SCCC(C)C)c([N+](=O)[O-])c2)n1 ZINC000010554333 207302745 /nfs/dbraw/zinc/30/27/45/207302745.db2.gz ILLVRANAOOYCJV-UHFFFAOYSA-N 0 0 365.480 4.750 20 5 FJBDRN Cc1cc(OCC(=O)Nc2ccccc2-c2ccccc2)ccc1[N+](=O)[O-] ZINC000021587802 207774205 /nfs/dbraw/zinc/77/42/05/207774205.db2.gz BAKXLVBKKRYPDJ-UHFFFAOYSA-N 0 0 362.385 4.588 20 5 FJBDRN Cc1ccccc1-c1csc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000031791306 208017008 /nfs/dbraw/zinc/01/70/08/208017008.db2.gz DCORIEYUAZOBET-UHFFFAOYSA-N 0 0 353.403 4.587 20 5 FJBDRN Cc1sc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)nc1-c1ccc(C)cc1 ZINC000040868990 208272401 /nfs/dbraw/zinc/27/24/01/208272401.db2.gz FTFTWWWQVZRJFN-UHFFFAOYSA-N 0 0 367.430 4.896 20 5 FJBDRN CC(=O)Nc1cccc(NC(=O)c2cc3ccccc3c3cccnc23)c1 ZINC000046898187 208369387 /nfs/dbraw/zinc/36/93/87/208369387.db2.gz ZEHIBWFKWWCFQF-UHFFFAOYSA-N 0 0 355.397 4.599 20 5 FJBDRN COc1ccccc1NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000021216630 220355166 /nfs/dbraw/zinc/35/51/66/220355166.db2.gz ODZSRTLRFRLQGW-UHFFFAOYSA-N 0 0 363.373 4.599 20 5 FJBDRN CCCN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCc2ccccc2C1 ZINC000072024100 208793069 /nfs/dbraw/zinc/79/30/69/208793069.db2.gz LAVJQGUTSNVTPP-MRXNPFEDSA-N 0 0 372.852 4.658 20 5 FJBDRN Cc1ccc(-c2csc(NC(=O)c3ccc(Cl)cc3)n2)cc1[N+](=O)[O-] ZINC000071814874 208783740 /nfs/dbraw/zinc/78/37/40/208783740.db2.gz DCXRKKQCYJZQMV-UHFFFAOYSA-N 0 0 373.821 4.932 20 5 FJBDRN O=C(Nc1ccc(Oc2ccc(Cl)cc2)nc1)c1ccccc1[N+](=O)[O-] ZINC000057272713 221085972 /nfs/dbraw/zinc/08/59/72/221085972.db2.gz QPACUWXHTAPOFZ-UHFFFAOYSA-N 0 0 369.764 4.688 20 5 FJBDRN O=C(Nc1cccc(OCc2cccc(F)c2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000059785636 221127910 /nfs/dbraw/zinc/12/79/10/221127910.db2.gz KJLDTHINVNCZIH-UHFFFAOYSA-N 0 0 366.348 4.565 20 5 FJBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(-c2nc3ccccc3o2)cc1 ZINC000072042904 221399010 /nfs/dbraw/zinc/39/90/10/221399010.db2.gz XHMPDFINXIXSJW-UHFFFAOYSA-N 0 0 373.368 4.964 20 5 FJBDRN O=C(N[C@H](Cc1ccc(Cl)cc1)c1ccccc1)c1ccc([N+](=O)[O-])o1 ZINC000072001767 221395107 /nfs/dbraw/zinc/39/51/07/221395107.db2.gz RDBRPQUKYUOVGB-MRXNPFEDSA-N 0 0 370.792 4.555 20 5 FJBDRN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(C(F)(F)F)cc1 ZINC000072029979 221398148 /nfs/dbraw/zinc/39/81/48/221398148.db2.gz YKOBLBMYSSMQLI-NSHDSACASA-N 0 0 352.312 4.746 20 5 FJBDRN Cc1cc(N2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)ccc1[N+](=O)[O-] ZINC000078582964 132377256 /nfs/dbraw/zinc/37/72/56/132377256.db2.gz FKYFKASBBGODSW-IBGZPJMESA-N 0 0 360.841 4.507 20 5 FJBDRN CCSc1ccc(Cl)cc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000078507173 221664975 /nfs/dbraw/zinc/66/49/75/221664975.db2.gz GYEGVPHFQAAZNW-UHFFFAOYSA-N 0 0 350.827 4.921 20 5 FJBDRN CCOc1cc(NC(=O)C[C@@H](C)c2ccccc2)c([N+](=O)[O-])cc1OCC ZINC000096992171 222147881 /nfs/dbraw/zinc/14/78/81/222147881.db2.gz CTSFACKRMDPAIG-CQSZACIVSA-N 0 0 372.421 4.525 20 5 FJBDRN CC(C)CCSc1ccc(C(=O)Nc2ccccc2O)cc1[N+](=O)[O-] ZINC000105324672 222367481 /nfs/dbraw/zinc/36/74/81/222367481.db2.gz QSTJFXXIFXHCIG-UHFFFAOYSA-N 0 0 360.435 4.691 20 5 FJBDRN COc1ccc(C(=O)Nc2ccccc2-c2cccs2)cc1[N+](=O)[O-] ZINC000105351526 222367976 /nfs/dbraw/zinc/36/79/76/222367976.db2.gz AKSGRBLQXJMWCU-UHFFFAOYSA-N 0 0 354.387 4.584 20 5 FJBDRN Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000108469243 222417229 /nfs/dbraw/zinc/41/72/29/222417229.db2.gz JMXZDOUIENNRTO-CXAGYDPISA-N 0 0 371.437 4.570 20 5 FJBDRN Cc1sc(C(=O)Nc2ccc3c(ccn3CC(C)C)c2)cc1[N+](=O)[O-] ZINC000109207092 222448650 /nfs/dbraw/zinc/44/86/50/222448650.db2.gz HZPQVFBITVSTKV-UHFFFAOYSA-N 0 0 357.435 4.828 20 5 FJBDRN Cc1ccc([N+](=O)[O-])cc1NCC(=O)Nc1ccccc1-c1ccccc1 ZINC000007954766 538793933 /nfs/dbraw/zinc/79/39/33/538793933.db2.gz CXBNJSKLLYIOGW-UHFFFAOYSA-N 0 0 361.401 4.621 20 5 FJBDRN CCC(C)(C)OCc1ccccc1NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000541787071 567830613 /nfs/dbraw/zinc/83/06/13/567830613.db2.gz CPAIASUXCHNEJJ-UHFFFAOYSA-N 0 0 371.437 4.622 20 5 FJBDRN CCC(CC)c1cc(C(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)on1 ZINC000452864460 567838855 /nfs/dbraw/zinc/83/88/55/567838855.db2.gz WMQGZNAIROWODC-MRXNPFEDSA-N 0 0 371.437 4.506 20 5 FJBDRN CC[C@@](C)(NCc1cc([N+](=O)[O-])ccc1OC(C)C)c1nc(C)cs1 ZINC000072865199 567841008 /nfs/dbraw/zinc/84/10/08/567841008.db2.gz JEMKIAPCGLRMCP-GOSISDBHSA-N 0 0 363.483 4.562 20 5 FJBDRN Cc1c(NC(=O)N2C[C@H](c3ccccc3)[C@@H]3CCC[C@@H]32)cccc1[N+](=O)[O-] ZINC000568076791 567850916 /nfs/dbraw/zinc/85/09/16/567850916.db2.gz XXRBHUKMACKKKD-QKLQHJQFSA-N 0 0 365.433 4.703 20 5 FJBDRN O=[N+]([O-])c1ccc(Oc2ccc(C3SCCS3)cc2)c([N+](=O)[O-])c1 ZINC000008063690 567870713 /nfs/dbraw/zinc/87/07/13/567870713.db2.gz FUIBBXQEDBCQQW-UHFFFAOYSA-N 0 0 364.404 4.774 20 5 FJBDRN CN(C(=O)c1cc2ccccc2cc1OC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000120354673 567891777 /nfs/dbraw/zinc/89/17/77/567891777.db2.gz VPBLVCGTTJROEA-UHFFFAOYSA-N 0 0 372.327 4.626 20 5 FJBDRN CC(C)n1cc([C@H](C)NC(=O)c2cc3ccccc3c3cccnc23)cn1 ZINC000602039789 567909512 /nfs/dbraw/zinc/90/95/12/567909512.db2.gz GPCBXQHWNFHBPJ-HNNXBMFYSA-N 0 0 358.445 4.656 20 5 FJBDRN CC(C)Oc1cccc([C@@H](C)NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000481418880 567915509 /nfs/dbraw/zinc/91/55/09/567915509.db2.gz VLSFCXNITHMVEA-GFCCVEGCSA-N 0 0 362.813 4.526 20 5 FJBDRN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)Nc1cnn(CC(C)C)c1C(F)F ZINC000541847676 567964535 /nfs/dbraw/zinc/96/45/35/567964535.db2.gz MAPZEZSBDCLECZ-GFCCVEGCSA-N 0 0 352.385 4.866 20 5 FJBDRN CCSc1ccc(Cl)cc1C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000481465125 567966542 /nfs/dbraw/zinc/96/65/42/567966542.db2.gz LPTMGWQWRMHVQG-UHFFFAOYSA-N 0 0 364.854 4.599 20 5 FJBDRN Cc1ccc([C@@H](C)NC(=O)Nc2ccnn2[C@H](C)CC(C)C)cc1[N+](=O)[O-] ZINC000481488839 567992809 /nfs/dbraw/zinc/99/28/09/567992809.db2.gz GDBPFRMNQUESNZ-HUUCEWRRSA-N 0 0 373.457 4.590 20 5 FJBDRN C[C@@H]1CCC[C@@H](CCNC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)C1 ZINC000568447573 568039106 /nfs/dbraw/zinc/03/91/06/568039106.db2.gz XHUDROWVKUERLQ-NEPJUHHUSA-N 0 0 358.360 4.560 20 5 FJBDRN CC(C)c1nc2ccc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3)cc2s1 ZINC000518795335 568041036 /nfs/dbraw/zinc/04/10/36/568041036.db2.gz HEERBVUVVGUGGG-UHFFFAOYSA-N 0 0 359.382 4.719 20 5 FJBDRN CC(C)c1ccccc1NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000481588324 568063627 /nfs/dbraw/zinc/06/36/27/568063627.db2.gz WWYUAFMHBKOQQD-UHFFFAOYSA-N 0 0 361.829 4.736 20 5 FJBDRN C[C@@H](CSCc1ccccc1)C(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000568665820 568114671 /nfs/dbraw/zinc/11/46/71/568114671.db2.gz BBFOOFNTFZRZMP-HNNXBMFYSA-N 0 0 372.490 4.516 20 5 FJBDRN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H]1c1cccs1 ZINC000043342917 568120251 /nfs/dbraw/zinc/12/02/51/568120251.db2.gz RTACHKBXKJKJJP-ZDUSSCGKSA-N 0 0 351.815 4.679 20 5 FJBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc2sccc2c1 ZINC000568689655 568123322 /nfs/dbraw/zinc/12/33/22/568123322.db2.gz WTXLKICGLSHDMF-LBPRGKRZSA-N 0 0 372.471 4.607 20 5 FJBDRN Cc1ccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1-c1ncco1 ZINC000481845983 568150029 /nfs/dbraw/zinc/15/00/29/568150029.db2.gz NAIUEPJHOWISSB-UHFFFAOYSA-N 0 0 363.329 4.557 20 5 FJBDRN C[C@@H](NC(=O)c1ccc(CCC(F)(F)F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000159333794 568163728 /nfs/dbraw/zinc/16/37/28/568163728.db2.gz HWUVCHJGWMGAEB-GFCCVEGCSA-N 0 0 366.339 4.581 20 5 FJBDRN CCc1sc(NC(=O)c2ccc([N+](=O)[O-])cc2F)nc1-c1ccccc1 ZINC000603965538 568191132 /nfs/dbraw/zinc/19/11/32/568191132.db2.gz UKNOLRIWUZAIQQ-UHFFFAOYSA-N 0 0 371.393 4.672 20 5 FJBDRN Cc1ccc(NC(=O)C[C@H](c2ccccc2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000481967891 568201619 /nfs/dbraw/zinc/20/16/19/568201619.db2.gz PMGWRGHWWRLIBQ-CQSZACIVSA-N 0 0 352.312 4.578 20 5 FJBDRN Cc1ccc([C@H](NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000024869483 568202868 /nfs/dbraw/zinc/20/28/68/568202868.db2.gz KDMAWCANXWSGPH-LIRRHRJNSA-N 0 0 370.474 4.651 20 5 FJBDRN O=C(N[C@H](c1cc2ccccc2o1)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000024876670 568209878 /nfs/dbraw/zinc/20/98/78/568209878.db2.gz JVMBHBYRAROZRP-NRFANRHFSA-N 0 0 372.380 4.860 20 5 FJBDRN CC(C)C[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)c1cccs1 ZINC000604119199 568213505 /nfs/dbraw/zinc/21/35/05/568213505.db2.gz HJCCMHLMSVKAPT-AWEZNQCLSA-N 0 0 358.419 4.920 20 5 FJBDRN Cc1ccc([N+](=O)[O-])c(Nc2cccc(C[S@](=O)C3CCCCC3)c2)n1 ZINC000481985925 568215648 /nfs/dbraw/zinc/21/56/48/568215648.db2.gz ZNKGRHDTHNHVIB-SANMLTNESA-N 0 0 373.478 4.623 20 5 FJBDRN Cc1ccc(NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000007400938 568231600 /nfs/dbraw/zinc/23/16/00/568231600.db2.gz HBKMEJBVRNMMIJ-LLVKDONJSA-N 0 0 350.827 4.676 20 5 FJBDRN O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1cc[nH]c1C1CC1 ZINC000568845880 568236083 /nfs/dbraw/zinc/23/60/83/568236083.db2.gz DMHRHTUHAKROEM-UHFFFAOYSA-N 0 0 363.373 4.845 20 5 FJBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)N(Cc1ccoc1)C1CCCCC1 ZINC000541973366 568268800 /nfs/dbraw/zinc/26/88/00/568268800.db2.gz RLWQBNIPGJNRQR-UHFFFAOYSA-N 0 0 373.409 4.563 20 5 FJBDRN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H]1CCc2sc(Cl)cc21 ZINC000569100391 568275393 /nfs/dbraw/zinc/27/53/93/568275393.db2.gz ABDVBEXIRXSSDM-LLVKDONJSA-N 0 0 365.842 4.736 20 5 FJBDRN CSc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(Cl)c2Cl)c1 ZINC000026856189 568291066 /nfs/dbraw/zinc/29/10/66/568291066.db2.gz CEPVAGMQNHJQSI-UHFFFAOYSA-N 0 0 357.218 4.876 20 5 FJBDRN Cc1c2ccccc2oc1[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000482174589 568298471 /nfs/dbraw/zinc/29/84/71/568298471.db2.gz XUKPFKRVPBCVPR-NSHDSACASA-N 0 0 358.781 4.794 20 5 FJBDRN Cc1cccc(C(=O)NCc2cccc(Oc3ccccc3)c2)c1[N+](=O)[O-] ZINC000032362568 568391574 /nfs/dbraw/zinc/39/15/74/568391574.db2.gz XILGVCOVQMXNDK-UHFFFAOYSA-N 0 0 362.385 4.626 20 5 FJBDRN Cc1nc2c(cccc2-c2noc(-c3ccc(C(C)C)c([N+](=O)[O-])c3)n2)[nH]1 ZINC000569346944 568395754 /nfs/dbraw/zinc/39/57/54/568395754.db2.gz HHKRKOFHCVSLDX-UHFFFAOYSA-N 0 0 363.377 4.620 20 5 FJBDRN CC(C)N(Cc1cccc(Cl)c1)C(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000569521430 568404677 /nfs/dbraw/zinc/40/46/77/568404677.db2.gz NERBHWHCEVOBRF-CQSZACIVSA-N 0 0 360.841 4.789 20 5 FJBDRN CC(C)N(Cc1cccc(Cl)c1)C(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000569521429 568404714 /nfs/dbraw/zinc/40/47/14/568404714.db2.gz NERBHWHCEVOBRF-AWEZNQCLSA-N 0 0 360.841 4.789 20 5 FJBDRN Cc1cc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)c(Cl)cc1F ZINC000570197421 568460795 /nfs/dbraw/zinc/46/07/95/568460795.db2.gz FYTKAPOZRXSBNQ-UHFFFAOYSA-N 0 0 350.777 4.612 20 5 FJBDRN CC(C)Oc1ccc(-c2noc([C@H](C)c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000570198638 568460872 /nfs/dbraw/zinc/46/08/72/568460872.db2.gz GIPXNJFTQVXSJB-CYBMUJFWSA-N 0 0 353.378 4.584 20 5 FJBDRN C[C@H](Sc1nnc(-c2ccc(Cl)cc2)n1C)c1cccc([N+](=O)[O-])c1 ZINC000007173204 568463698 /nfs/dbraw/zinc/46/36/98/568463698.db2.gz QWYUAIDZAMGOIQ-NSHDSACASA-N 0 0 374.853 4.897 20 5 FJBDRN C[C@@H](Sc1nnc(-c2ccc(Cl)cc2)n1C)c1cccc([N+](=O)[O-])c1 ZINC000007173205 568463774 /nfs/dbraw/zinc/46/37/74/568463774.db2.gz QWYUAIDZAMGOIQ-LLVKDONJSA-N 0 0 374.853 4.897 20 5 FJBDRN COc1cc(CN[C@@H](C)c2nc(-c3ccccc3)cs2)ccc1[N+](=O)[O-] ZINC000570248016 568466325 /nfs/dbraw/zinc/46/63/25/568466325.db2.gz LLDIAOSXJAZOLV-ZDUSSCGKSA-N 0 0 369.446 4.578 20 5 FJBDRN Cc1cc2nnc(S[C@@H](C)c3cccc([N+](=O)[O-])c3)n2c2ccccc12 ZINC000007199922 568472724 /nfs/dbraw/zinc/47/27/24/568472724.db2.gz VNDLRLLCCACLDW-ZDUSSCGKSA-N 0 0 364.430 4.952 20 5 FJBDRN C[C@H](c1ccco1)N(C(=O)c1cc2cc([N+](=O)[O-])ccc2s1)C1CC1 ZINC000056185811 568613878 /nfs/dbraw/zinc/61/38/78/568613878.db2.gz AJFZCZIIQPLEPO-LLVKDONJSA-N 0 0 356.403 4.768 20 5 FJBDRN O=C(Cc1ccccc1[N+](=O)[O-])Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000006968761 219784960 /nfs/dbraw/zinc/78/49/60/219784960.db2.gz ADCYONKYMNCGND-UHFFFAOYSA-N 0 0 373.821 4.553 20 5 FJBDRN O=C(Nc1nc(-c2cccs2)cs1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000007670497 219816395 /nfs/dbraw/zinc/81/63/95/219816395.db2.gz FIJPVJWQCSQJJG-UHFFFAOYSA-N 0 0 365.823 4.686 20 5 FJBDRN O=C(Nc1ccccc1OC1CCCC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000108740340 209292711 /nfs/dbraw/zinc/29/27/11/209292711.db2.gz IYGZPFIJLHVGCK-UHFFFAOYSA-N 0 0 360.797 4.822 20 5 FJBDRN O=C(Nc1c(F)cc(F)cc1-c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000108320397 209285874 /nfs/dbraw/zinc/28/58/74/209285874.db2.gz SFUNAVWLLVKEHJ-UHFFFAOYSA-N 0 0 354.312 4.792 20 5 FJBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CSC1=Nc2ccccc2CS1 ZINC000106897953 209273558 /nfs/dbraw/zinc/27/35/58/209273558.db2.gz PISXXGXGPMDBEI-UHFFFAOYSA-N 0 0 373.459 4.509 20 5 FJBDRN CCOc1cc(NC(=O)C[C@H](C)c2ccccc2)c([N+](=O)[O-])cc1OCC ZINC000096992172 209165679 /nfs/dbraw/zinc/16/56/79/209165679.db2.gz CTSFACKRMDPAIG-AWEZNQCLSA-N 0 0 372.421 4.525 20 5 FJBDRN Cc1nc(-c2ccc(C)cc2)c(CC(=O)Nc2cccc([N+](=O)[O-])c2)s1 ZINC000015408301 220153389 /nfs/dbraw/zinc/15/33/89/220153389.db2.gz QYHBPUNBPFEJGS-UHFFFAOYSA-N 0 0 367.430 4.516 20 5 FJBDRN CCCCc1ccc(NC(=O)c2cc(OC)c(OCC)cc2[N+](=O)[O-])cc1 ZINC000015631840 220157570 /nfs/dbraw/zinc/15/75/70/220157570.db2.gz VQOCYOXFUKTHII-UHFFFAOYSA-N 0 0 372.421 4.597 20 5 FJBDRN CCNc1ccc(C(=O)Nc2ccccc2-c2ccccc2)cc1[N+](=O)[O-] ZINC000015643718 220158230 /nfs/dbraw/zinc/15/82/30/220158230.db2.gz KAKZIWQSRPEHCC-UHFFFAOYSA-N 0 0 361.401 4.946 20 5 FJBDRN Cc1cnc(NC(=O)c2ccc(SCCC(C)C)c([N+](=O)[O-])c2)s1 ZINC000010556199 207303254 /nfs/dbraw/zinc/30/32/54/207303254.db2.gz HSUAKDSIULEJDO-UHFFFAOYSA-N 0 0 365.480 4.750 20 5 FJBDRN CC(C)c1cccc(C(C)C)c1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000013948592 207491773 /nfs/dbraw/zinc/49/17/73/207491773.db2.gz TXCQEGYUMXSDGN-UHFFFAOYSA-N 0 0 362.451 4.642 20 5 FJBDRN CCNc1ccc(C(=O)Nc2cc(C(C)(C)C)ccc2OC)cc1[N+](=O)[O-] ZINC000023659975 207851825 /nfs/dbraw/zinc/85/18/25/207851825.db2.gz VXXMUUITTUUOML-UHFFFAOYSA-N 0 0 371.437 4.585 20 5 FJBDRN O=[N+]([O-])c1cc(Cl)ccc1OCc1nc2ccccc2n1C(F)F ZINC000031708607 208015774 /nfs/dbraw/zinc/01/57/74/208015774.db2.gz ABSIEZBHWCDVMJ-UHFFFAOYSA-N 0 0 353.712 4.572 20 5 FJBDRN COc1ccc(-c2nc(-c3cccc([N+](=O)[O-])c3)sc2C)cc1OC ZINC000072047994 208795767 /nfs/dbraw/zinc/79/57/67/208795767.db2.gz PTAFHQOWEADJIV-UHFFFAOYSA-N 0 0 356.403 4.711 20 5 FJBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)c2cccc3ccccc32)c1 ZINC000024464865 220448797 /nfs/dbraw/zinc/44/87/97/220448797.db2.gz PYXHFUYLKPAOEA-CYBMUJFWSA-N 0 0 366.442 4.961 20 5 FJBDRN O=C(Nc1ccccc1N1CCc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000031532059 220640092 /nfs/dbraw/zinc/64/00/92/220640092.db2.gz JULRFNXWVXUESV-UHFFFAOYSA-N 0 0 359.385 4.541 20 5 FJBDRN COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1 ZINC000067296884 221251640 /nfs/dbraw/zinc/25/16/40/221251640.db2.gz NPWBMMUKGBDYAG-UHFFFAOYSA-N 0 0 374.702 4.528 20 5 FJBDRN O=[N+]([O-])c1ccc(OCc2coc(-c3ccccc3)n2)c(C(F)(F)F)c1 ZINC000072033582 221398225 /nfs/dbraw/zinc/39/82/25/221398225.db2.gz YOWVMXWXMLRNSJ-UHFFFAOYSA-N 0 0 364.279 4.848 20 5 FJBDRN CCSCc1cccc(NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000568057532 567823520 /nfs/dbraw/zinc/82/35/20/567823520.db2.gz CYEOTHLRNBQILQ-UHFFFAOYSA-N 0 0 373.478 4.554 20 5 FJBDRN O=C(Nc1ccc([N+](=O)[O-])cc1F)Nc1ccccc1CCC(F)(F)F ZINC000541787553 567830810 /nfs/dbraw/zinc/83/08/10/567830810.db2.gz QXXFSSGJSULSOF-UHFFFAOYSA-N 0 0 371.290 4.873 20 5 FJBDRN Cc1c(NC(=O)N2C[C@H](c3ccccc3)[C@@H]3CCC[C@H]32)cccc1[N+](=O)[O-] ZINC000568076792 567850899 /nfs/dbraw/zinc/85/08/99/567850899.db2.gz XXRBHUKMACKKKD-SQGPQFPESA-N 0 0 365.433 4.703 20 5 FJBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000481388602 567876467 /nfs/dbraw/zinc/87/64/67/567876467.db2.gz FMIDDAHZAZAFFZ-GGPKGHCWSA-N 0 0 365.433 4.703 20 5 FJBDRN CC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)c1ccc(OC)cc1 ZINC000568140016 567932165 /nfs/dbraw/zinc/93/21/65/567932165.db2.gz GUTDXSLCUKTJKT-QGZVFWFLSA-N 0 0 368.355 4.863 20 5 FJBDRN Cc1ccc([C@@H](C)NC(=O)Nc2ccnn2[C@@H](C)CC(C)C)cc1[N+](=O)[O-] ZINC000481488840 567989247 /nfs/dbraw/zinc/98/92/47/567989247.db2.gz GDBPFRMNQUESNZ-LSDHHAIUSA-N 0 0 373.457 4.590 20 5 FJBDRN Cc1ccc([C@H](C)NC(=O)Nc2ccnn2[C@H](C)CC(C)C)cc1[N+](=O)[O-] ZINC000481488837 567989551 /nfs/dbraw/zinc/98/95/51/567989551.db2.gz GDBPFRMNQUESNZ-CABCVRRESA-N 0 0 373.457 4.590 20 5 FJBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccsc1Cl ZINC000186944959 568020553 /nfs/dbraw/zinc/02/05/53/568020553.db2.gz NUHPCCFESPEULA-UHFFFAOYSA-N 0 0 368.845 4.508 20 5 FJBDRN C[C@H]1CCC[C@@H](CCNC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)C1 ZINC000568447575 568039225 /nfs/dbraw/zinc/03/92/25/568039225.db2.gz XHUDROWVKUERLQ-RYUDHWBXSA-N 0 0 358.360 4.560 20 5 FJBDRN COc1cc([C@@H](C)Nc2ccc([N+](=O)[O-])c(C(C)=O)c2)ccc1OC(C)C ZINC000568495027 568044579 /nfs/dbraw/zinc/04/45/79/568044579.db2.gz PVWRSHBLRHVGNS-CYBMUJFWSA-N 0 0 372.421 4.766 20 5 FJBDRN Cc1ccc(OCc2nc(CSc3ncccc3[N+](=O)[O-])cs2)cc1 ZINC000065692943 568055218 /nfs/dbraw/zinc/05/52/18/568055218.db2.gz CRMMBJFGRFYMBA-UHFFFAOYSA-N 0 0 373.459 4.626 20 5 FJBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCCc1cccs1 ZINC000541877301 568058562 /nfs/dbraw/zinc/05/85/62/568058562.db2.gz OLQLXATWZPZXIP-UHFFFAOYSA-N 0 0 364.492 4.521 20 5 FJBDRN Cc1oc2ccc(NC(=O)N[C@@H](C)c3cccc([N+](=O)[O-])c3)cc2c1C ZINC000481647240 568080429 /nfs/dbraw/zinc/08/04/29/568080429.db2.gz SCWUNOABBRJIRW-LBPRGKRZSA-N 0 0 353.378 4.841 20 5 FJBDRN CCOc1ccc2c(c1)[C@H](C)CC(C)(C)N2C(=O)c1ccc([N+](=O)[O-])o1 ZINC000603495086 568108206 /nfs/dbraw/zinc/10/82/06/568108206.db2.gz MCXLBJMMILLVBZ-GFCCVEGCSA-N 0 0 358.394 4.519 20 5 FJBDRN CC(C)CO[C@@H](C)c1noc(CS[C@@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000072909686 568109439 /nfs/dbraw/zinc/10/94/39/568109439.db2.gz MSZPMHYJBPXRRO-STQMWFEESA-N 0 0 365.455 4.706 20 5 FJBDRN O=[N+]([O-])c1ccccc1CN(Cc1cccc(Br)c1)C1CC1 ZINC000026446555 568146298 /nfs/dbraw/zinc/14/62/98/568146298.db2.gz MYKMGUCXKZYUHR-UHFFFAOYSA-N 0 0 361.239 4.522 20 5 FJBDRN Cc1cc(NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)ccc1C1CC1 ZINC000481906895 568178253 /nfs/dbraw/zinc/17/82/53/568178253.db2.gz RZWSYINEQBDPQF-UHFFFAOYSA-N 0 0 365.433 4.977 20 5 FJBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000481916104 568182476 /nfs/dbraw/zinc/18/24/76/568182476.db2.gz DPNBTNYIXJUFSW-UHFFFAOYSA-N 0 0 370.352 4.978 20 5 FJBDRN COc1ccc(OCCS[C@@H](C)c2nc3ccccc3o2)c([N+](=O)[O-])c1 ZINC000481917714 568183308 /nfs/dbraw/zinc/18/33/08/568183308.db2.gz FNOAKEWGPPEDIZ-LBPRGKRZSA-N 0 0 374.418 4.618 20 5 FJBDRN C[C@H](NC(=O)c1cc2ccccc2c2cccnc12)c1cccc([N+](=O)[O-])c1 ZINC000603967010 568191396 /nfs/dbraw/zinc/19/13/96/568191396.db2.gz VWPSMCBNOLDBIN-AWEZNQCLSA-N 0 0 371.396 4.787 20 5 FJBDRN Cc1ccc(NC(=O)C[C@@H](c2ccccc2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000481967889 568201623 /nfs/dbraw/zinc/20/16/23/568201623.db2.gz PMGWRGHWWRLIBQ-AWEZNQCLSA-N 0 0 352.312 4.578 20 5 FJBDRN COc1ccc2c(c1NC(=O)c1cc3cc([N+](=O)[O-])ccc3s1)CCC2 ZINC000482020092 568228471 /nfs/dbraw/zinc/22/84/71/568228471.db2.gz WTLAURAGTWPOCK-UHFFFAOYSA-N 0 0 368.414 4.559 20 5 FJBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000007474919 568228850 /nfs/dbraw/zinc/22/88/50/568228850.db2.gz CTXAQXMQAMQORC-JTQLQIEISA-N 0 0 370.352 4.733 20 5 FJBDRN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000482044606 568238178 /nfs/dbraw/zinc/23/81/78/568238178.db2.gz QJLVHASGPUSYTA-CYBMUJFWSA-N 0 0 372.387 4.571 20 5 FJBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1ccc(Oc2ccccc2)o1 ZINC000482088111 568258042 /nfs/dbraw/zinc/25/80/42/568258042.db2.gz KFJGQSIFVPTEKJ-UHFFFAOYSA-N 0 0 352.346 4.849 20 5 FJBDRN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)Nc1cccc(Cl)c1Cl ZINC000568982594 568260842 /nfs/dbraw/zinc/26/08/42/568260842.db2.gz BOMVDAVROZONLV-UHFFFAOYSA-N 0 0 374.611 4.877 20 5 FJBDRN C[C@@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)N(c2ccc([N+](=O)[O-])cn2)C1 ZINC000482098989 568268084 /nfs/dbraw/zinc/26/80/84/568268084.db2.gz WVECFSJWROZPHF-ABAIWWIYSA-N 0 0 351.328 4.596 20 5 FJBDRN C[C@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)N(c2ccc([N+](=O)[O-])nc2)C1 ZINC000482100587 568268174 /nfs/dbraw/zinc/26/81/74/568268174.db2.gz OGTCSAVJXDMADT-NHYWBVRUSA-N 0 0 351.328 4.596 20 5 FJBDRN CSc1ccc(Cl)c(C(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])c1 ZINC000569089869 568269594 /nfs/dbraw/zinc/26/95/94/568269594.db2.gz QKNFYUHZUIBRSV-UHFFFAOYSA-N 0 0 364.854 4.635 20 5 FJBDRN O=C(Nc1ccc(COCc2ccccc2)cc1)c1ccc([N+](=O)[O-])s1 ZINC000150858385 568277486 /nfs/dbraw/zinc/27/74/86/568277486.db2.gz YLSAIZLDELTZPE-UHFFFAOYSA-N 0 0 368.414 4.625 20 5 FJBDRN Cc1ccc(Sc2ccc(C(=O)N3CCCCC3)cc2[N+](=O)[O-])cc1 ZINC000008181125 568279923 /nfs/dbraw/zinc/27/99/23/568279923.db2.gz OEOFRWJIOSXCKK-UHFFFAOYSA-N 0 0 356.447 4.681 20 5 FJBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc3ncccc3c2)no1 ZINC000569132747 568285802 /nfs/dbraw/zinc/28/58/02/568285802.db2.gz KFPCVHHMPZRBKG-HNNXBMFYSA-N 0 0 374.400 4.929 20 5 FJBDRN Cc1c(NCc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)cnn1C ZINC000181964483 568288680 /nfs/dbraw/zinc/28/86/80/568288680.db2.gz PXJZYWHRQOCJNV-UHFFFAOYSA-N 0 0 372.812 4.695 20 5 FJBDRN O=C(Nc1cccc(F)c1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000008287954 568291690 /nfs/dbraw/zinc/29/16/90/568291690.db2.gz WVQUFKIKFHVKMP-UHFFFAOYSA-N 0 0 365.364 4.598 20 5 FJBDRN Cc1c2ccccc2oc1[C@H](C)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000482174420 568298419 /nfs/dbraw/zinc/29/84/19/568298419.db2.gz AIDUPVSATMLUTL-NSHDSACASA-N 0 0 358.781 4.794 20 5 FJBDRN Cc1c2ccccc2oc1[C@H](C)NC(=O)CSc1ccccc1[N+](=O)[O-] ZINC000482167261 568299834 /nfs/dbraw/zinc/29/98/34/568299834.db2.gz WQBBJTFMUHPALC-ZDUSSCGKSA-N 0 0 370.430 4.619 20 5 FJBDRN Cc1c2ccccc2oc1[C@H](C)NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000482168325 568300149 /nfs/dbraw/zinc/30/01/49/568300149.db2.gz HGRCVVJTJKNXIA-STQMWFEESA-N 0 0 370.380 4.769 20 5 FJBDRN Cc1cc(-c2nc(Cc3cccc(C(F)(F)F)c3)no2)ccc1[N+](=O)[O-] ZINC000569176968 568304847 /nfs/dbraw/zinc/30/48/47/568304847.db2.gz LGVNHSTXKRDGLD-UHFFFAOYSA-N 0 0 363.295 4.563 20 5 FJBDRN Cc1csc([C@H]2CCCCN2c2ccc([N+](=O)[O-])c3cnccc32)n1 ZINC000604551385 568312835 /nfs/dbraw/zinc/31/28/35/568312835.db2.gz KFIJQBLEGVJNNA-QGZVFWFLSA-N 0 0 354.435 4.640 20 5 FJBDRN O=[N+]([O-])c1ccc(Nc2cccc(C[S@@](=O)C3CCCCC3)c2)cc1 ZINC000302001281 568314156 /nfs/dbraw/zinc/31/41/56/568314156.db2.gz RZOGCXQJLPGDCW-RUZDIDTESA-N 0 0 358.463 4.920 20 5 FJBDRN CSc1ccc(-c2nc(Cc3ccc(Cl)cc3)no2)cc1[N+](=O)[O-] ZINC000609476304 568323405 /nfs/dbraw/zinc/32/34/05/568323405.db2.gz WMYJKWDUDSPFFS-UHFFFAOYSA-N 0 0 361.810 4.611 20 5 FJBDRN O=C(N[C@H]1C[C@@H]1c1c(F)cccc1F)c1cc2ccccc2c2cccnc12 ZINC000604719603 568352336 /nfs/dbraw/zinc/35/23/36/568352336.db2.gz ZLFUHKNVFWOBNO-JXFKEZNVSA-N 0 0 374.390 4.952 20 5 FJBDRN O=C(c1ccc([N+](=O)[O-])o1)N1CCC(c2c(Cl)cccc2Cl)CC1 ZINC000569382858 568399934 /nfs/dbraw/zinc/39/99/34/568399934.db2.gz IQPOIJDRWKUSMT-UHFFFAOYSA-N 0 0 369.204 4.514 20 5 FJBDRN O=C(CCc1cccc([N+](=O)[O-])c1)Nc1cc(Cl)ccc1C(F)(F)F ZINC000569647430 568411323 /nfs/dbraw/zinc/41/13/23/568411323.db2.gz WVNZUTUVMDEYLN-UHFFFAOYSA-N 0 0 372.730 4.838 20 5 FJBDRN O=C([C@H]1CC[C@H](C(F)(F)F)C1)N(c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000570123370 568452573 /nfs/dbraw/zinc/45/25/73/568452573.db2.gz QIAOUXGYPMUSAK-STQMWFEESA-N 0 0 370.371 4.849 20 5 FJBDRN C[C@@H](C(=O)N1CCCC[C@@H]1c1ccc(F)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000570232812 568463903 /nfs/dbraw/zinc/46/39/03/568463903.db2.gz FOFJCDJEHFJQOI-BFUOFWGJSA-N 0 0 374.387 4.730 20 5 FJBDRN COc1cc(CN[C@H](C)c2nc(-c3ccccc3)cs2)ccc1[N+](=O)[O-] ZINC000570248014 568466264 /nfs/dbraw/zinc/46/62/64/568466264.db2.gz LLDIAOSXJAZOLV-CYBMUJFWSA-N 0 0 369.446 4.578 20 5 FJBDRN O=[N+]([O-])c1cccc(-c2csc(Cc3nc4ccccc4s3)n2)c1 ZINC000007275001 568485060 /nfs/dbraw/zinc/48/50/60/568485060.db2.gz XXJMUIMUMLMQQN-UHFFFAOYSA-N 0 0 353.428 4.919 20 5 FJBDRN CN(Cc1cccc(Cl)c1)C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000570647098 568493521 /nfs/dbraw/zinc/49/35/21/568493521.db2.gz DNUUSDGWAWAUJH-UHFFFAOYSA-N 0 0 372.730 4.539 20 5 FJBDRN Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000128811236 568540576 /nfs/dbraw/zinc/54/05/76/568540576.db2.gz HRYPJMBIIGBRJS-GFCCVEGCSA-N 0 0 362.455 4.708 20 5 FJBDRN COc1cc(/C=C\c2ccc3c(cccc3[N+](=O)[O-])n2)ccc1OC(F)F ZINC000033787513 568547987 /nfs/dbraw/zinc/54/79/87/568547987.db2.gz TWWBQXHJVNOWOQ-ALCCZGGFSA-N 0 0 372.327 4.923 20 5 FJBDRN O=C(N[C@@H]1CC[C@@H]2CCCC[C@H]2C1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000570868032 568574936 /nfs/dbraw/zinc/57/49/36/568574936.db2.gz QTWBCDYFIIAWFK-RWMBFGLXSA-N 0 0 370.371 4.702 20 5 FJBDRN O=C(Nc1ccc(COCc2ccccc2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000150860857 568639755 /nfs/dbraw/zinc/63/97/55/568639755.db2.gz BXGZWMGKEZLWNF-UHFFFAOYSA-N 0 0 362.385 4.564 20 5 FJBDRN Cc1nc(-c2ccc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])cc2)cs1 ZINC000007437784 219804862 /nfs/dbraw/zinc/80/48/62/219804862.db2.gz RCBXNAZQQFTSTB-UHFFFAOYSA-N 0 0 373.821 4.932 20 5 FJBDRN C[C@H](S[C@@H]1CCCc2ccccc21)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000110307977 209321852 /nfs/dbraw/zinc/32/18/52/209321852.db2.gz CETNUXHQURZQCS-SCLBCKFNSA-N 0 0 356.447 4.733 20 5 FJBDRN CCOc1cccc(CNC(=O)c2cc3ccccc3c3cccnc23)c1 ZINC000107894102 209281613 /nfs/dbraw/zinc/28/16/13/209281613.db2.gz XKIZPLOFBDFQMC-UHFFFAOYSA-N 0 0 356.425 4.717 20 5 FJBDRN Cc1c(C(=O)Nc2ccccc2SCC(F)(F)F)cccc1[N+](=O)[O-] ZINC000105560399 209267196 /nfs/dbraw/zinc/26/71/96/209267196.db2.gz XIQXMANJGAQWJG-UHFFFAOYSA-N 0 0 370.352 4.810 20 5 FJBDRN Cc1cccc(C(C)C)c1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000014739586 220131264 /nfs/dbraw/zinc/13/12/64/220131264.db2.gz VDMYSZVTDRFFNA-UHFFFAOYSA-N 0 0 367.449 4.879 20 5 FJBDRN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc(COc2ccccc2)cc1 ZINC000015592599 220156998 /nfs/dbraw/zinc/15/69/98/220156998.db2.gz YMERTFZBUWBFDG-UHFFFAOYSA-N 0 0 366.348 4.565 20 5 FJBDRN Cc1nc(-c2ccc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)cc2)cs1 ZINC000015613620 220157318 /nfs/dbraw/zinc/15/73/18/220157318.db2.gz ODTRENNVNNEMLS-NYYWCZLTSA-N 0 0 365.414 4.679 20 5 FJBDRN C[C@H](Sc1ccc(F)c(F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000017982508 220219982 /nfs/dbraw/zinc/21/99/82/220219982.db2.gz HLXRGLCFJGFOOX-QMMMGPOBSA-N 0 0 372.780 4.646 20 5 FJBDRN O=C(Nc1ccc(-c2nccs2)cc1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000017589498 220217509 /nfs/dbraw/zinc/21/75/09/220217509.db2.gz YWAOCOMITSIHCN-UHFFFAOYSA-N 0 0 359.794 4.624 20 5 FJBDRN Cc1ccc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1 ZINC000007646103 206696322 /nfs/dbraw/zinc/69/63/22/206696322.db2.gz UOHQTLQUCMYUQV-UHFFFAOYSA-N 0 0 370.352 4.653 20 5 FJBDRN COc1ccc(Cl)cc1NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000007401276 207195277 /nfs/dbraw/zinc/19/52/77/207195277.db2.gz FWZIZGCTPLZMKR-UHFFFAOYSA-N 0 0 362.794 4.724 20 5 FJBDRN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000008136489 207220599 /nfs/dbraw/zinc/22/05/99/207220599.db2.gz YCANVOANEVMCPE-UHFFFAOYSA-N 0 0 374.702 4.528 20 5 FJBDRN O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccccc1OCc1ccc(F)cc1 ZINC000019161147 207644075 /nfs/dbraw/zinc/64/40/75/207644075.db2.gz AYOKOFXCKRWWEY-UHFFFAOYSA-N 0 0 366.348 4.565 20 5 FJBDRN O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1cccs1)c1ccc(F)cc1 ZINC000059781620 208592335 /nfs/dbraw/zinc/59/23/35/208592335.db2.gz VOPCFOPUFAGUGC-UHFFFAOYSA-N 0 0 356.378 4.642 20 5 FJBDRN O=C(NCc1ccc([N+](=O)[O-])cc1)c1sc2cc(F)ccc2c1Cl ZINC000055797402 221074831 /nfs/dbraw/zinc/07/48/31/221074831.db2.gz FXVGFHRHRXHMGS-UHFFFAOYSA-N 0 0 364.785 4.532 20 5 FJBDRN CSc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(-c3ncc(C)o3)c2)c1 ZINC000066809198 221246029 /nfs/dbraw/zinc/24/60/29/221246029.db2.gz FYWUTIYCODLRPI-UHFFFAOYSA-N 0 0 369.402 4.532 20 5 FJBDRN O=C(CSc1ccc(-c2ccccc2)cc1)Nc1ccccc1[N+](=O)[O-] ZINC000071962538 221390153 /nfs/dbraw/zinc/39/01/53/221390153.db2.gz YLTYDMJWXNTHPE-UHFFFAOYSA-N 0 0 364.426 4.993 20 5 FJBDRN O=C1CCCN1c1cccc(-c2csc(-c3ccc([N+](=O)[O-])cc3)n2)c1 ZINC000071971758 221391080 /nfs/dbraw/zinc/39/10/80/221391080.db2.gz VGERVFZCKPPLOX-UHFFFAOYSA-N 0 0 365.414 4.512 20 5 FJBDRN CCOc1ccc2c(c1)[C@H](C)CC(C)(C)N2C(=O)c1ccccc1[N+](=O)[O-] ZINC000071845001 136141240 /nfs/dbraw/zinc/14/12/40/136141240.db2.gz XTGYGGQQXPQUOH-CQSZACIVSA-N 0 0 368.433 4.926 20 5 FJBDRN O=[N+]([O-])c1ccccc1N1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000108095509 136151621 /nfs/dbraw/zinc/15/16/21/136151621.db2.gz PXEUCMCBNALEOB-UHFFFAOYSA-N 0 0 357.797 4.773 20 5 FJBDRN Cc1cc([C@@H](C)NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c(C)s1 ZINC000097306727 222174149 /nfs/dbraw/zinc/17/41/49/222174149.db2.gz CZRDIWWHJRXRIA-SECBINFHSA-N 0 0 353.831 4.809 20 5 FJBDRN Cc1sc(NC(=O)c2cccc(C)c2[N+](=O)[O-])nc1-c1ccc(C)cc1 ZINC000098065537 222223921 /nfs/dbraw/zinc/22/39/21/222223921.db2.gz WTFGTROKBXHIKX-UHFFFAOYSA-N 0 0 367.430 4.896 20 5 FJBDRN O=[N+]([O-])c1ccc(NCc2coc(-c3cccs3)n2)c(C(F)(F)F)c1 ZINC000115780916 222505884 /nfs/dbraw/zinc/50/58/84/222505884.db2.gz GTQNBZWBGKDYSM-UHFFFAOYSA-N 0 0 369.324 4.942 20 5 FJBDRN COc1ccc(CN2CCC[C@@H]2c2nc3ccccc3s2)cc1[N+](=O)[O-] ZINC000051427783 567879258 /nfs/dbraw/zinc/87/92/58/567879258.db2.gz MOFGQFHSKCRCAR-OAHLLOKOSA-N 0 0 369.446 4.550 20 5 FJBDRN O=[N+]([O-])c1cc2c(ncnc2NC(c2ccccc2)c2ccccc2)s1 ZINC000568120918 567884522 /nfs/dbraw/zinc/88/45/22/567884522.db2.gz MRMOZRRNTYCPHF-UHFFFAOYSA-N 0 0 362.414 4.801 20 5 FJBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2cccc(OC(C)C)c2)c1 ZINC000481407041 567905646 /nfs/dbraw/zinc/90/56/46/567905646.db2.gz ATHFXTKZTJUOPC-ZDUSSCGKSA-N 0 0 374.462 4.595 20 5 FJBDRN CC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)c1ccc(OC)cc1 ZINC000568140015 567932233 /nfs/dbraw/zinc/93/22/33/567932233.db2.gz GUTDXSLCUKTJKT-KRWDZBQOSA-N 0 0 368.355 4.863 20 5 FJBDRN CCSc1cc(Cl)ccc1C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000481475214 567972194 /nfs/dbraw/zinc/97/21/94/567972194.db2.gz RRAIUWMKNUFRHX-UHFFFAOYSA-N 0 0 364.854 4.599 20 5 FJBDRN Cc1ccc([C@H](C)NC(=O)Nc2ccnn2[C@@H](C)CC(C)C)cc1[N+](=O)[O-] ZINC000481488838 567992384 /nfs/dbraw/zinc/99/23/84/567992384.db2.gz GDBPFRMNQUESNZ-GJZGRUSLSA-N 0 0 373.457 4.590 20 5 FJBDRN CCCn1ncc(NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)c1C1CC1 ZINC000452948401 568030828 /nfs/dbraw/zinc/03/08/28/568030828.db2.gz VRVAJNJNWYQZHT-UHFFFAOYSA-N 0 0 370.453 4.629 20 5 FJBDRN CC[C@@H](NC(=O)c1cc(C(C)C)c(O)cc1C)c1cccc([N+](=O)[O-])c1 ZINC000436608671 568033451 /nfs/dbraw/zinc/03/34/51/568033451.db2.gz JWHSVNIFLYVGDV-GOSISDBHSA-N 0 0 356.422 4.613 20 5 FJBDRN C[C@@H]1CCC[C@H](CCNC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)C1 ZINC000568447576 568039294 /nfs/dbraw/zinc/03/92/94/568039294.db2.gz XHUDROWVKUERLQ-VXGBXAGGSA-N 0 0 358.360 4.560 20 5 FJBDRN CC(C)c1nc2cc(NC(=O)[C@H](C)c3cccc([N+](=O)[O-])c3)ccc2o1 ZINC000568465843 568040691 /nfs/dbraw/zinc/04/06/91/568040691.db2.gz HAWURKZQIFPLKR-GFCCVEGCSA-N 0 0 353.378 4.602 20 5 FJBDRN O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000481554566 568048067 /nfs/dbraw/zinc/04/80/67/568048067.db2.gz ISMCTMBPAXVGMO-AWEZNQCLSA-N 0 0 357.385 4.536 20 5 FJBDRN Cc1ccc([N+](=O)[O-])c(Sc2nnc(-c3ccc4ccccc4c3)o2)n1 ZINC000481686521 568089136 /nfs/dbraw/zinc/08/91/36/568089136.db2.gz IHIHUGTULMJGGQ-UHFFFAOYSA-N 0 0 364.386 4.653 20 5 FJBDRN CC(C)CO[C@@H](C)c1noc(CS[C@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000072909688 568109414 /nfs/dbraw/zinc/10/94/14/568109414.db2.gz MSZPMHYJBPXRRO-QWHCGFSZSA-N 0 0 365.455 4.706 20 5 FJBDRN Cc1c2ccccc2oc1[C@@H](C)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000481805167 568131748 /nfs/dbraw/zinc/13/17/48/568131748.db2.gz AIDUPVSATMLUTL-LLVKDONJSA-N 0 0 358.781 4.794 20 5 FJBDRN O=C(Nc1cccc([N+](=O)[O-])c1)Nc1ccccc1CCC(F)(F)F ZINC000150835889 568134619 /nfs/dbraw/zinc/13/46/19/568134619.db2.gz TYRAPADWTUBLJP-UHFFFAOYSA-N 0 0 353.300 4.734 20 5 FJBDRN Cc1c(COc2cccc(NC(=O)c3ccccc3)c2)cccc1[N+](=O)[O-] ZINC000603725991 568143217 /nfs/dbraw/zinc/14/32/17/568143217.db2.gz UWOPQWQXGPNYNU-UHFFFAOYSA-N 0 0 362.385 4.735 20 5 FJBDRN C[C@H](NC(=O)c1ccc(CCC(F)(F)F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000159333638 568163885 /nfs/dbraw/zinc/16/38/85/568163885.db2.gz HWUVCHJGWMGAEB-LBPRGKRZSA-N 0 0 366.339 4.581 20 5 FJBDRN Cc1ccc([C@H](NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000024869479 568202805 /nfs/dbraw/zinc/20/28/05/568202805.db2.gz KDMAWCANXWSGPH-KUHUBIRLSA-N 0 0 370.474 4.651 20 5 FJBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(F)c(Cl)c1 ZINC000481996884 568219258 /nfs/dbraw/zinc/21/92/58/568219258.db2.gz GERIIBILLLRDLW-UHFFFAOYSA-N 0 0 354.790 4.752 20 5 FJBDRN Cc1ccc(NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000007400940 568231565 /nfs/dbraw/zinc/23/15/65/568231565.db2.gz HBKMEJBVRNMMIJ-NSHDSACASA-N 0 0 350.827 4.676 20 5 FJBDRN Cc1nc2ccc(NC(=O)[C@H](C)Sc3ccc([N+](=O)[O-])cc3)cc2s1 ZINC000007471343 568234730 /nfs/dbraw/zinc/23/47/30/568234730.db2.gz OUVRMPLZRHVWKN-JTQLQIEISA-N 0 0 373.459 4.632 20 5 FJBDRN C[C@H](Sc1ccc2ccccc2c1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000005776064 568246544 /nfs/dbraw/zinc/24/65/44/568246544.db2.gz RHWHCIVAYPVHCK-ZDUSSCGKSA-N 0 0 352.415 4.867 20 5 FJBDRN Cc1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000007609690 568248243 /nfs/dbraw/zinc/24/82/43/568248243.db2.gz XBGAYOMANKZCDG-UHFFFAOYSA-N 0 0 361.401 4.768 20 5 FJBDRN CCOc1ccc([C@@H](Nc2ccc([N+](=O)[O-])nc2)C(C)C)cc1OCC ZINC000568929748 568253428 /nfs/dbraw/zinc/25/34/28/568253428.db2.gz JOTLLMDFNVTFOI-IBGZPJMESA-N 0 0 359.426 4.596 20 5 FJBDRN Cc1ccc(CN2C(=O)c3ccccc3N[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000007889436 568260843 /nfs/dbraw/zinc/26/08/43/568260843.db2.gz ITEVNVKCUUWFNL-NRFANRHFSA-N 0 0 373.412 4.670 20 5 FJBDRN Cc1cccc(N2C(=O)c3ccccc3N[C@H]2c2ccc([N+](=O)[O-])cc2)c1 ZINC000007889602 568260915 /nfs/dbraw/zinc/26/09/15/568260915.db2.gz WEHHEWJOCWCUNX-HXUWFJFHSA-N 0 0 359.385 4.674 20 5 FJBDRN COc1ccc(/C=C/c2ccc3c(cccc3[N+](=O)[O-])n2)cc1OC(F)F ZINC000008321828 568300841 /nfs/dbraw/zinc/30/08/41/568300841.db2.gz NMXYCBDHTPSAJM-FNORWQNLSA-N 0 0 372.327 4.923 20 5 FJBDRN CCc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)c1CC ZINC000489620498 568303511 /nfs/dbraw/zinc/30/35/11/568303511.db2.gz BVMUGXLJTMEUML-UHFFFAOYSA-N 0 0 364.348 4.573 20 5 FJBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000604565647 568317126 /nfs/dbraw/zinc/31/71/26/568317126.db2.gz MYGLBXOIHUIUGQ-UHFFFAOYSA-N 0 0 373.821 4.932 20 5 FJBDRN C[C@@H](NC(=O)[C@H](C)c1c(Cl)cccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000604566853 568317397 /nfs/dbraw/zinc/31/73/97/568317397.db2.gz ODBGIACNRASCKH-GHMZBOCLSA-N 0 0 367.232 4.883 20 5 FJBDRN COc1ccc(NC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)cc1Cl ZINC000569272446 568324485 /nfs/dbraw/zinc/32/44/85/568324485.db2.gz KZJJTBCNGOGAIO-UHFFFAOYSA-N 0 0 374.702 4.528 20 5 FJBDRN CC(C)c1ccc(CN(C)C(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000031575640 568333852 /nfs/dbraw/zinc/33/38/52/568333852.db2.gz OXZKNCFVVDJVRV-OAHLLOKOSA-N 0 0 372.490 4.857 20 5 FJBDRN COc1ccc(NC(=O)c2cc(C(C)C)nc3ccccc32)cc1[N+](=O)[O-] ZINC000541999732 568377784 /nfs/dbraw/zinc/37/77/84/568377784.db2.gz WDRDHCSRGJYTJQ-UHFFFAOYSA-N 0 0 365.389 4.527 20 5 FJBDRN Cc1ccc(NC(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)c(C)c1 ZINC000006124982 568396010 /nfs/dbraw/zinc/39/60/10/568396010.db2.gz PJZKTNZHAHDZLM-OAHLLOKOSA-N 0 0 367.449 4.700 20 5 FJBDRN CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc3oc(C)c(C)c3c2)c1 ZINC000569359407 568396115 /nfs/dbraw/zinc/39/61/15/568396115.db2.gz RFIDWUBFLMRUBO-UHFFFAOYSA-N 0 0 354.362 4.609 20 5 FJBDRN C[C@@H](C(=O)N(C1CC1)[C@@H]1CCCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000569426950 568402032 /nfs/dbraw/zinc/40/20/32/568402032.db2.gz HJZJAICKDAAHSW-QVKFZJNVSA-N 0 0 364.445 4.767 20 5 FJBDRN CC(=O)c1cc(N[C@@H](C)c2ccc(Br)cc2)ccc1[N+](=O)[O-] ZINC000569484174 568403209 /nfs/dbraw/zinc/40/32/09/568403209.db2.gz CBOJIXGEKMRYIF-JTQLQIEISA-N 0 0 363.211 4.733 20 5 FJBDRN C[C@@H](C(=O)Nc1ccnc(Oc2ccccc2)c1)c1cccc([N+](=O)[O-])c1 ZINC000570026457 568441817 /nfs/dbraw/zinc/44/18/17/568441817.db2.gz IKHOEEZLJIYSAV-CQSZACIVSA-N 0 0 363.373 4.524 20 5 FJBDRN C[C@H](C(=O)N1CCCC[C@H]1c1ccc(F)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000570232814 568463819 /nfs/dbraw/zinc/46/38/19/568463819.db2.gz FOFJCDJEHFJQOI-DJJJIMSYSA-N 0 0 374.387 4.730 20 5 FJBDRN Cc1ccc(-n2cnnc2S[C@H](C)c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000007189166 568471429 /nfs/dbraw/zinc/47/14/29/568471429.db2.gz QQCBDHPXDFXMEC-CQSZACIVSA-N 0 0 354.435 4.646 20 5 FJBDRN Cc1ccc(-n2cnnc2S[C@H](C)c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000007189097 568471453 /nfs/dbraw/zinc/47/14/53/568471453.db2.gz MMCXUFJEDKNNPS-GFCCVEGCSA-N 0 0 374.853 4.991 20 5 FJBDRN O=[N+]([O-])c1ccc(-c2csc(Cc3nc4ccccc4s3)n2)cc1 ZINC000007274993 568485029 /nfs/dbraw/zinc/48/50/29/568485029.db2.gz CHOOYJOQQSTZMI-UHFFFAOYSA-N 0 0 353.428 4.919 20 5 FJBDRN C[C@@H](N[C@H](C)c1ccccc1Cl)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000007499665 568523545 /nfs/dbraw/zinc/52/35/45/568523545.db2.gz DWOGWRGVEQKZOI-VXGBXAGGSA-N 0 0 372.812 4.710 20 5 FJBDRN C[C@H](NC(=O)N1CC(C)(C)[C@H]1c1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000482247713 568532960 /nfs/dbraw/zinc/53/29/60/568532960.db2.gz XDUCGRIIEVNCEO-BLLLJJGKSA-N 0 0 359.451 4.510 20 5 FJBDRN Cc1ccc(C=Cc2nc(S[C@H](C)c3ccccc3[N+](=O)[O-])n[nH]2)o1 ZINC000463256994 568656205 /nfs/dbraw/zinc/65/62/05/568656205.db2.gz HLKLUSYDKQJHOR-ZWLSGLHFSA-N 0 0 356.407 4.638 20 5 FJBDRN C[C@@H](NC(=O)N[C@@H](c1ccccc1)C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000108465239 209287655 /nfs/dbraw/zinc/28/76/55/209287655.db2.gz GLBOJOFPKNQYLR-KDOFPFPSSA-N 0 0 355.438 4.742 20 5 FJBDRN O=C(CCc1ccc(-c2ccccc2)o1)Nc1cc([N+](=O)[O-])ccc1F ZINC000104740093 209262508 /nfs/dbraw/zinc/26/25/08/209262508.db2.gz AEERLKXBROAKAV-UHFFFAOYSA-N 0 0 354.337 4.565 20 5 FJBDRN Cc1cc(C(=O)Nc2cccc(C3SCCS3)c2)ccc1[N+](=O)[O-] ZINC000015036405 220142816 /nfs/dbraw/zinc/14/28/16/220142816.db2.gz VQNKFYAXEQNQNK-UHFFFAOYSA-N 0 0 360.460 4.634 20 5 FJBDRN O=C(CSc1ccccc1Cl)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000016481760 220184918 /nfs/dbraw/zinc/18/49/18/220184918.db2.gz LXUXGOBRARNOBN-UHFFFAOYSA-N 0 0 357.218 4.632 20 5 FJBDRN Cc1nc(-c2ccc(F)cc2)sc1C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000017335389 220213130 /nfs/dbraw/zinc/21/31/30/220213130.db2.gz FVGRREZIWWMHSY-UHFFFAOYSA-N 0 0 371.393 4.727 20 5 FJBDRN O=C(Nc1nc(-c2ccccc2Cl)cs1)c1ccc([N+](=O)[O-])cc1 ZINC000007640743 206696706 /nfs/dbraw/zinc/69/67/06/206696706.db2.gz RMXSSTSJNYCTRQ-UHFFFAOYSA-N 0 0 359.794 4.624 20 5 FJBDRN COc1ccc(C(=O)Nc2ccccc2Oc2ccccc2)cc1[N+](=O)[O-] ZINC000007348494 206698062 /nfs/dbraw/zinc/69/80/62/206698062.db2.gz KCXZJGVPTJKPCF-UHFFFAOYSA-N 0 0 364.357 4.648 20 5 FJBDRN Cc1ccc(OC(=O)c2cc([N+](=O)[O-])ccc2Cl)c(Br)c1 ZINC000005744484 207115069 /nfs/dbraw/zinc/11/50/69/207115069.db2.gz DPAUFCKGTCXDGP-UHFFFAOYSA-N 0 0 370.586 4.538 20 5 FJBDRN Cc1cccc([N+](=O)[O-])c1NC(=O)CSc1c(Cl)cccc1Cl ZINC000006000235 207125092 /nfs/dbraw/zinc/12/50/92/207125092.db2.gz UYMDAEDPSXRDQX-UHFFFAOYSA-N 0 0 371.245 4.941 20 5 FJBDRN COc1cccc(/C=C/c2ccc3cccc([N+](=O)[O-])c3n2)c1OC(F)F ZINC000006366902 207138492 /nfs/dbraw/zinc/13/84/92/207138492.db2.gz UPELJXMCVJOZCF-PKNBQFBNSA-N 0 0 372.327 4.923 20 5 FJBDRN COc1ccc(Oc2ncnc3sc4c(c32)CC[C@H](C)C4)c([N+](=O)[O-])c1 ZINC000007983721 207213397 /nfs/dbraw/zinc/21/33/97/207213397.db2.gz ANJQVUBKVYTIHU-JTQLQIEISA-N 0 0 371.418 4.525 20 5 FJBDRN COc1cccc(/C=C/c2ccc3c(cccc3[N+](=O)[O-])n2)c1OC(F)F ZINC000008321818 207228656 /nfs/dbraw/zinc/22/86/56/207228656.db2.gz SCJVRXZWXHXNQK-CMDGGOBGSA-N 0 0 372.327 4.923 20 5 FJBDRN COc1ccc(-c2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)cc1OC ZINC000025667689 207900934 /nfs/dbraw/zinc/90/09/34/207900934.db2.gz VLRGXDZXRXUSBH-UHFFFAOYSA-N 0 0 356.403 4.711 20 5 FJBDRN O=C(Nc1ccccc1F)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000029512421 207993341 /nfs/dbraw/zinc/99/33/41/207993341.db2.gz RKPCYFSBOQZNSX-UHFFFAOYSA-N 0 0 351.337 4.730 20 5 FJBDRN Cc1cc2sc(NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])nc2c(C)c1 ZINC000028839579 207976113 /nfs/dbraw/zinc/97/61/13/207976113.db2.gz RHCUARBRZCIMCE-UHFFFAOYSA-N 0 0 361.810 4.727 20 5 FJBDRN O=C(Nc1cccc([N+](=O)[O-])c1)c1[nH]c2ccc(Cl)cc2c1Cl ZINC000059829328 208592069 /nfs/dbraw/zinc/59/20/69/208592069.db2.gz PAYSKJMQLKUUIS-UHFFFAOYSA-N 0 0 350.161 4.635 20 5 FJBDRN O=C(N[C@H](c1ccccc1)c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])s1 ZINC000021840642 220369195 /nfs/dbraw/zinc/36/91/95/220369195.db2.gz GNHXXIILLUENSY-QGZVFWFLSA-N 0 0 372.833 4.829 20 5 FJBDRN O=C(Nc1ccccc1Oc1ccccc1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000071885477 208786801 /nfs/dbraw/zinc/78/68/01/208786801.db2.gz BXJLECZXZUYXJW-UHFFFAOYSA-N 0 0 374.356 4.516 20 5 FJBDRN O=C(Nc1ccc(Oc2ccncc2)cc1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000050806310 221033592 /nfs/dbraw/zinc/03/35/92/221033592.db2.gz REQPBSIEMIKZDD-UHFFFAOYSA-N 0 0 369.764 4.688 20 5 FJBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1[nH]c2ccc(Cl)cc2c1Cl ZINC000056058348 221077481 /nfs/dbraw/zinc/07/74/81/221077481.db2.gz IXKOSLDZNVLXBS-UHFFFAOYSA-N 0 0 364.188 4.944 20 5 FJBDRN Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c(OCc2ccccc2)c1 ZINC000059784552 221127909 /nfs/dbraw/zinc/12/79/09/221127909.db2.gz LRRFJMFMOFSMTA-UHFFFAOYSA-N 0 0 362.385 4.735 20 5 FJBDRN O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccccc1Oc1cccc(F)c1 ZINC000065807266 221236608 /nfs/dbraw/zinc/23/66/08/221236608.db2.gz XQKHDAHZGWGDOS-UHFFFAOYSA-N 0 0 366.348 4.707 20 5 FJBDRN CCN(Cc1ccc(Cl)s1)C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000069420361 221325109 /nfs/dbraw/zinc/32/51/09/221325109.db2.gz AZCHHZARZNGCKY-UHFFFAOYSA-N 0 0 359.234 4.625 20 5 FJBDRN CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000071934858 221387401 /nfs/dbraw/zinc/38/74/01/221387401.db2.gz PXCAUJDTRWRKKJ-IBGZPJMESA-N 0 0 366.461 4.799 20 5 FJBDRN CCOc1ccc2c(c1)[C@H](C)CC(C)(C)N2C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000071845005 136141216 /nfs/dbraw/zinc/14/12/16/136141216.db2.gz WCFWIYUINQZZSU-CQSZACIVSA-N 0 0 368.433 4.926 20 5 FJBDRN CCc1nc2ccccc2c(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1C ZINC000104798082 222360824 /nfs/dbraw/zinc/36/08/24/222360824.db2.gz BQXNAJYNZYUDDF-UHFFFAOYSA-N 0 0 369.808 4.920 20 5 FJBDRN CCN(Cc1ccccc1Cl)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000105886743 222377703 /nfs/dbraw/zinc/37/77/03/222377703.db2.gz DYJLSXATZNKEMM-UHFFFAOYSA-N 0 0 353.205 4.564 20 5 FJBDRN O=C(COc1cccc([N+](=O)[O-])c1)Nc1ccc2c(c1)oc1ccccc12 ZINC000106280307 222385267 /nfs/dbraw/zinc/38/52/67/222385267.db2.gz MVHDMCIMCQEZRH-UHFFFAOYSA-N 0 0 362.341 4.512 20 5 FJBDRN Cc1coc(-c2ccc(C)c(NC(=O)Nc3ccc([N+](=O)[O-])cc3F)c2)n1 ZINC000541785155 567821389 /nfs/dbraw/zinc/82/13/89/567821389.db2.gz HLIWPCHYZSFAJL-UHFFFAOYSA-N 0 0 370.340 4.650 20 5 FJBDRN CCn1c(S[C@@H](C)c2ccccc2[N+](=O)[O-])nnc1-c1ccc(F)cc1 ZINC000481370309 567823853 /nfs/dbraw/zinc/82/38/53/567823853.db2.gz KQYKXWCCLQPGMH-LBPRGKRZSA-N 0 0 372.425 4.866 20 5 FJBDRN CC(C)c1scnc1NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000568071366 567835521 /nfs/dbraw/zinc/83/55/21/567835521.db2.gz WRHGKXCVBZCKPK-UHFFFAOYSA-N 0 0 374.447 4.551 20 5 FJBDRN CC[C@](C)(NCc1cc([N+](=O)[O-])ccc1OC(C)C)c1nc(C)cs1 ZINC000072865197 567841044 /nfs/dbraw/zinc/84/10/44/567841044.db2.gz JEMKIAPCGLRMCP-SFHVURJKSA-N 0 0 363.483 4.562 20 5 FJBDRN COc1cc(Cl)c(Cl)cc1NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000568579590 568059126 /nfs/dbraw/zinc/05/91/26/568059126.db2.gz YUOASLQMTDEJRV-SECBINFHSA-N 0 0 369.204 4.652 20 5 FJBDRN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC000481578653 568060456 /nfs/dbraw/zinc/06/04/56/568060456.db2.gz DKZKDALDTMLVIW-KZULUSFZSA-N 0 0 364.804 4.522 20 5 FJBDRN Cc1c(NC(=O)N2CCC[C@@H](c3ccc(F)cc3)CC2)cccc1[N+](=O)[O-] ZINC000481602413 568064230 /nfs/dbraw/zinc/06/42/30/568064230.db2.gz WYRJDTRTOOXZHJ-OAHLLOKOSA-N 0 0 371.412 4.844 20 5 FJBDRN Cc1oc2ccc(NC(=O)N[C@H](C)c3cccc([N+](=O)[O-])c3)cc2c1C ZINC000481647235 568080247 /nfs/dbraw/zinc/08/02/47/568080247.db2.gz SCWUNOABBRJIRW-GFCCVEGCSA-N 0 0 353.378 4.841 20 5 FJBDRN O=C(Nc1ccc(OCC(F)F)cc1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000481714594 568094395 /nfs/dbraw/zinc/09/43/95/568094395.db2.gz VCZZUZKFUHNDDP-UHFFFAOYSA-N 0 0 371.727 4.536 20 5 FJBDRN Cc1c2ccccc2oc1[C@@H](C)NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000481812041 568132229 /nfs/dbraw/zinc/13/22/29/568132229.db2.gz HGRCVVJTJKNXIA-QWHCGFSZSA-N 0 0 370.380 4.769 20 5 FJBDRN CCOc1ccc(Oc2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2)cc1 ZINC000006982084 568133765 /nfs/dbraw/zinc/13/37/65/568133765.db2.gz RHZLGCBWEGIKRJ-UHFFFAOYSA-N 0 0 368.345 4.631 20 5 FJBDRN Cc1ccccc1[C@H](NC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000481828017 568138673 /nfs/dbraw/zinc/13/86/73/568138673.db2.gz FAYCWJUUSQCHEF-HNAYVOBHSA-N 0 0 355.438 4.661 20 5 FJBDRN C[C@@H](NC(=O)c1cc2ccccc2c2cccnc12)c1cccc([N+](=O)[O-])c1 ZINC000603967017 568191418 /nfs/dbraw/zinc/19/14/18/568191418.db2.gz VWPSMCBNOLDBIN-CQSZACIVSA-N 0 0 371.396 4.787 20 5 FJBDRN Cc1ccc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)o1 ZINC000481950825 568195442 /nfs/dbraw/zinc/19/54/42/568195442.db2.gz FNAJUTJFAICVBE-CYBMUJFWSA-N 0 0 362.451 4.735 20 5 FJBDRN Cc1nc(-c2cccc(C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)c2)cs1 ZINC000463244595 568208285 /nfs/dbraw/zinc/20/82/85/568208285.db2.gz IHFVOTVVDFPBLY-UHFFFAOYSA-N 0 0 353.403 4.587 20 5 FJBDRN Cc1ccc(NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)c(Cl)c1 ZINC000007473762 568234774 /nfs/dbraw/zinc/23/47/74/568234774.db2.gz SOYCDKSHOJNPDM-LLVKDONJSA-N 0 0 350.827 4.676 20 5 FJBDRN CCOc1ccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1Cl ZINC000057039003 568249245 /nfs/dbraw/zinc/24/92/45/568249245.db2.gz QIGACHHFONHUTR-UHFFFAOYSA-N 0 0 355.177 4.553 20 5 FJBDRN C[C@H](c1nc(Cc2c(F)cccc2Cl)no1)c1cccc([N+](=O)[O-])c1 ZINC000568931058 568253492 /nfs/dbraw/zinc/25/34/92/568253492.db2.gz BCMBRGVJTFCJAC-JTQLQIEISA-N 0 0 361.760 4.513 20 5 FJBDRN Cc1cc(C)c(-c2csc(NC(=O)c3ccc([N+](=O)[O-])s3)n2)c(C)c1 ZINC000007796294 568256490 /nfs/dbraw/zinc/25/64/90/568256490.db2.gz ZJHMQKKTPSJTEC-UHFFFAOYSA-N 0 0 373.459 4.957 20 5 FJBDRN CCc1ccc2nc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)sc2c1 ZINC000007758499 568256682 /nfs/dbraw/zinc/25/66/82/568256682.db2.gz PZXQYIOUAASIPB-UHFFFAOYSA-N 0 0 361.810 4.673 20 5 FJBDRN C[C@@H]1C[C@H](c2ccc(C(F)(F)F)cc2)N(c2ccc([N+](=O)[O-])cn2)C1 ZINC000482098990 568268037 /nfs/dbraw/zinc/26/80/37/568268037.db2.gz WVECFSJWROZPHF-IAQYHMDHSA-N 0 0 351.328 4.596 20 5 FJBDRN O=C(Nc1cc(Cl)ccc1NCc1ccccc1)c1ccc([N+](=O)[O-])o1 ZINC000120392593 568271331 /nfs/dbraw/zinc/27/13/31/568271331.db2.gz DYIFOKLHARXSIR-UHFFFAOYSA-N 0 0 371.780 4.706 20 5 FJBDRN C[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1Cl ZINC000489616196 568276445 /nfs/dbraw/zinc/27/64/45/568276445.db2.gz DARGIBCZEAGTFT-SECBINFHSA-N 0 0 372.730 4.758 20 5 FJBDRN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1C[C@@H](C)C[C@H]1c1ccccc1 ZINC000482160019 568297367 /nfs/dbraw/zinc/29/73/67/568297367.db2.gz QTTVKKSSZQTRPN-DJJJIMSYSA-N 0 0 353.422 4.827 20 5 FJBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N2CC(C)(C)[C@H]2c2cccs2)c1 ZINC000569169758 568299374 /nfs/dbraw/zinc/29/93/74/568299374.db2.gz CDFYJKAJNNTKFI-OAHLLOKOSA-N 0 0 362.476 4.602 20 5 FJBDRN COc1ccc([C@H](Nc2ccc([N+](=O)[O-])nc2)c2ccccc2Cl)cc1 ZINC000569174251 568303773 /nfs/dbraw/zinc/30/37/73/568303773.db2.gz UAUKTCIMLAFSMV-IBGZPJMESA-N 0 0 369.808 4.853 20 5 FJBDRN COc1ccc([C@@H](Nc2ccc([N+](=O)[O-])nc2)c2ccccc2Cl)cc1 ZINC000569174252 568303789 /nfs/dbraw/zinc/30/37/89/568303789.db2.gz UAUKTCIMLAFSMV-LJQANCHMSA-N 0 0 369.808 4.853 20 5 FJBDRN C[C@@H](C(=O)N(C)Cc1ccccc1[N+](=O)[O-])c1c(Cl)cccc1Cl ZINC000604566934 568317439 /nfs/dbraw/zinc/31/74/39/568317439.db2.gz PJUVVSFHRAAYDP-LLVKDONJSA-N 0 0 367.232 4.664 20 5 FJBDRN CN(Cc1ccccc1C(F)(F)F)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000031071992 568322808 /nfs/dbraw/zinc/32/28/08/568322808.db2.gz LFGXMTHNHCZQDN-UHFFFAOYSA-N 0 0 372.730 4.539 20 5 FJBDRN O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N(Cc1ccccc1)C1CC1 ZINC000031086952 568323272 /nfs/dbraw/zinc/32/32/72/568323272.db2.gz AYAGLVHHPYAQHC-UHFFFAOYSA-N 0 0 352.415 4.614 20 5 FJBDRN Cc1ccc(NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)c2cccnc12 ZINC000031095595 568323568 /nfs/dbraw/zinc/32/35/68/568323568.db2.gz MOMFGINKIMEXBG-CYBMUJFWSA-N 0 0 367.430 4.571 20 5 FJBDRN O=C(Nc1ccccc1N1CCCCCC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000030991548 568324301 /nfs/dbraw/zinc/32/43/01/568324301.db2.gz VFWLQYWWBINANQ-UHFFFAOYSA-N 0 0 373.840 4.881 20 5 FJBDRN CC(C)c1ccc(CN(C)C(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000031575646 568333830 /nfs/dbraw/zinc/33/38/30/568333830.db2.gz OXZKNCFVVDJVRV-HNNXBMFYSA-N 0 0 372.490 4.857 20 5 FJBDRN COc1ccc(Cl)cc1C(=O)N(c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000609482783 568339395 /nfs/dbraw/zinc/33/93/95/568339395.db2.gz BSSFLQWTGTVEGC-UHFFFAOYSA-N 0 0 374.824 4.846 20 5 FJBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H]1c1ccccc1OC ZINC000569294129 568342253 /nfs/dbraw/zinc/34/22/53/568342253.db2.gz JBOXAKATVWMCGE-SFHVURJKSA-N 0 0 369.421 4.535 20 5 FJBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1cccc(Oc2ccccc2)c1 ZINC000031929722 568343474 /nfs/dbraw/zinc/34/34/74/568343474.db2.gz NJKKVINSGAJIBI-UHFFFAOYSA-N 0 0 362.385 4.659 20 5 FJBDRN Cc1ccc(-c2nc(COc3ccc(Cl)cc3[N+](=O)[O-])cs2)o1 ZINC000032326913 568386659 /nfs/dbraw/zinc/38/66/59/568386659.db2.gz PVJILGZKPBEIOD-UHFFFAOYSA-N 0 0 350.783 4.852 20 5 FJBDRN O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1cccc(Cl)c1F ZINC000541997418 568390576 /nfs/dbraw/zinc/39/05/76/568390576.db2.gz NUGPXHJEXHZENO-UHFFFAOYSA-N 0 0 362.666 4.658 20 5 FJBDRN CC[C@H](C)Sc1ccc(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])c(C)c1 ZINC000569366000 568396611 /nfs/dbraw/zinc/39/66/11/568396611.db2.gz NLQVORBIVVSYNK-LBPRGKRZSA-N 0 0 360.435 4.752 20 5 FJBDRN O=C(Nc1nc(-c2cccc(Cl)c2)cs1)c1ccccc1[N+](=O)[O-] ZINC000006222344 568400075 /nfs/dbraw/zinc/40/00/75/568400075.db2.gz YUAIHUVICHKNKT-UHFFFAOYSA-N 0 0 359.794 4.624 20 5 FJBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000569408303 568401125 /nfs/dbraw/zinc/40/11/25/568401125.db2.gz GLVNHSUYZZLZIQ-UHFFFAOYSA-N 0 0 372.730 4.852 20 5 FJBDRN Cc1ccsc1-c1noc(-c2csc(-c3cccc([N+](=O)[O-])c3)n2)n1 ZINC000569535442 568406495 /nfs/dbraw/zinc/40/64/95/568406495.db2.gz XDLKKKMYYHOVKD-UHFFFAOYSA-N 0 0 370.415 4.805 20 5 FJBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cc2ccccc2cc1O ZINC000436709199 568435403 /nfs/dbraw/zinc/43/54/03/568435403.db2.gz MNZOFCFYOIJFHO-UHFFFAOYSA-N 0 0 364.401 4.504 20 5 FJBDRN Cc1noc(C)c1[C@@H](C)CC(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000570101461 568450755 /nfs/dbraw/zinc/45/07/55/568450755.db2.gz OVZBSCNBMCXZPK-NSHDSACASA-N 0 0 359.426 4.629 20 5 FJBDRN Cc1nnc(S[C@@H](C)c2cccc([N+](=O)[O-])c2)n1-c1ccccc1C ZINC000007188946 568471107 /nfs/dbraw/zinc/47/11/07/568471107.db2.gz CACOZKIHLVJWRA-ZDUSSCGKSA-N 0 0 354.435 4.646 20 5 FJBDRN Cc1sc(C(=O)Nc2ccccc2O[C@@H](C)C(F)(F)F)cc1[N+](=O)[O-] ZINC000570364120 568480894 /nfs/dbraw/zinc/48/08/94/568480894.db2.gz WLTHGDFLEFODJJ-VIFPVBQESA-N 0 0 374.340 4.547 20 5 FJBDRN O=C(CSCc1ccc(Cl)cc1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000007483368 568526835 /nfs/dbraw/zinc/52/68/35/568526835.db2.gz XJHMGCUUSASASB-UHFFFAOYSA-N 0 0 371.245 4.774 20 5 FJBDRN CN(C(F)(F)c1cc([N+](=O)[O-])cnc1Cl)C12CC3CC(CC(C3)C1)C2 ZINC001165047443 721986242 /nfs/dbraw/zinc/98/62/42/721986242.db2.gz AEUGNJKIMBTVMM-UHFFFAOYSA-N 0 0 371.815 4.593 20 5 FJBDRN Cc1ccc(OCC(=O)Nc2ccccc2-c2ccccc2)c([N+](=O)[O-])c1 ZINC000007462348 219806131 /nfs/dbraw/zinc/80/61/31/219806131.db2.gz WKISSYNLIJDCII-UHFFFAOYSA-N 0 0 362.385 4.588 20 5 FJBDRN Cc1c(C(=O)Nc2ccc(NC3CCCCC3)cc2)cccc1[N+](=O)[O-] ZINC000109888153 209315311 /nfs/dbraw/zinc/31/53/11/209315311.db2.gz MWUWQPIGBGROSL-UHFFFAOYSA-N 0 0 353.422 4.900 20 5 FJBDRN COc1ccc(N(C(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C2CC2)cc1 ZINC000109749983 209312437 /nfs/dbraw/zinc/31/24/37/209312437.db2.gz FWFRFISBGYSFEX-LBPRGKRZSA-N 0 0 374.824 4.702 20 5 FJBDRN O=C(Nc1cccc(CSc2ccccn2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000109689578 209309711 /nfs/dbraw/zinc/30/97/11/209309711.db2.gz ZZTJJGHPVCMNFT-UHFFFAOYSA-N 0 0 365.414 4.534 20 5 FJBDRN C[C@H](Nc1ccc([N+](=O)[O-])cc1C(F)(F)F)c1ccc2c(c1)OCO2 ZINC000108929886 209294243 /nfs/dbraw/zinc/29/42/43/209294243.db2.gz GZXPKRQEVYULSC-VIFPVBQESA-N 0 0 354.284 4.515 20 5 FJBDRN O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N(C1CC1)[C@H]1CCc2ccccc21 ZINC000108241930 209284713 /nfs/dbraw/zinc/28/47/13/209284713.db2.gz PTBQMUZQHACOBP-KRWDZBQOSA-N 0 0 356.809 4.540 20 5 FJBDRN COc1ccccc1Oc1ccc(NC(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000018238771 220229336 /nfs/dbraw/zinc/22/93/36/220229336.db2.gz DRYQLVKWYYGNDD-UHFFFAOYSA-N 0 0 370.386 4.710 20 5 FJBDRN O=C(Nc1cccc([N+](=O)[O-])c1)c1ccccc1OCc1ccc(F)cc1 ZINC000019009041 220233177 /nfs/dbraw/zinc/23/31/77/220233177.db2.gz QKEZFVWKHKSIGS-UHFFFAOYSA-N 0 0 366.348 4.565 20 5 FJBDRN CSCc1c2ccccc2oc1C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000019160978 220239482 /nfs/dbraw/zinc/23/94/82/220239482.db2.gz WZRCDQBIQUWLII-UHFFFAOYSA-N 0 0 356.403 4.765 20 5 FJBDRN O=C(CSc1ccc2ccccc2n1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000005626732 206691713 /nfs/dbraw/zinc/69/17/13/206691713.db2.gz YUORWPUCHFJLMS-UHFFFAOYSA-N 0 0 373.821 4.527 20 5 FJBDRN Cc1ccc(C)c2sc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])nc21 ZINC000004331215 207013175 /nfs/dbraw/zinc/01/31/75/207013175.db2.gz KLBNGYSHYUALSW-UHFFFAOYSA-N 0 0 361.810 4.727 20 5 FJBDRN COc1cc(/C=C/c2nc3cc([N+](=O)[O-])ccc3s2)cc(Cl)c1O ZINC000007746337 207205209 /nfs/dbraw/zinc/20/52/09/207205209.db2.gz PLUQALIFBBAUCU-GORDUTHDSA-N 0 0 362.794 4.743 20 5 FJBDRN O=[N+]([O-])c1ccc(Sc2nnc(-c3ccc(F)cc3)o2)c(Cl)c1 ZINC000008198795 207224112 /nfs/dbraw/zinc/22/41/12/207224112.db2.gz WSJNVDCMEMMOEF-UHFFFAOYSA-N 0 0 351.746 4.589 20 5 FJBDRN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(c1ccccc1)c1ccccc1 ZINC000031384119 208011681 /nfs/dbraw/zinc/01/16/81/208011681.db2.gz XCNNXEUOQNBGSK-INIZCTEOSA-N 0 0 360.413 4.545 20 5 FJBDRN Cc1ccccc1-c1csc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)n1 ZINC000032561195 208031406 /nfs/dbraw/zinc/03/14/06/208031406.db2.gz ATQQDYNEWCJEGZ-UHFFFAOYSA-N 0 0 373.821 4.932 20 5 FJBDRN CC(C)(C)c1nc2cc(NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])ccc2o1 ZINC000043773563 208308471 /nfs/dbraw/zinc/30/84/71/208308471.db2.gz GVCOTQQIFOTNPD-UHFFFAOYSA-N 0 0 373.796 4.939 20 5 FJBDRN CC(C)Oc1ccc([C@@H](C)NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000045237802 208327149 /nfs/dbraw/zinc/32/71/49/208327149.db2.gz PBLYOWLQXBJTCP-GFCCVEGCSA-N 0 0 362.813 4.526 20 5 FJBDRN C[C@@H](Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(NC(=O)C2CC2)cc1 ZINC000045026728 220966347 /nfs/dbraw/zinc/96/63/47/220966347.db2.gz VYJNUMRAEQFDSJ-LLVKDONJSA-N 0 0 359.813 4.770 20 5 FJBDRN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@@H]1c1ccsc1 ZINC000052803560 221040685 /nfs/dbraw/zinc/04/06/85/221040685.db2.gz SDGFWWYQZSTXFE-BLLLJJGKSA-N 0 0 370.434 4.604 20 5 FJBDRN CC(C)(C)c1ccccc1NCc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000055830634 221074996 /nfs/dbraw/zinc/07/49/96/221074996.db2.gz IGWZYMVIOWEWGI-UHFFFAOYSA-N 0 0 352.394 4.554 20 5 FJBDRN CCCN1C(=O)c2ccc(Cl)cc2N[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000071967285 221390184 /nfs/dbraw/zinc/39/01/84/221390184.db2.gz OHHQQLRCEADXPZ-KRWDZBQOSA-N 0 0 359.813 4.533 20 5 FJBDRN CCOc1ccc2c(c1)[C@@H](C)CC(C)(C)N2C(=O)c1ccccc1[N+](=O)[O-] ZINC000071845002 136141217 /nfs/dbraw/zinc/14/12/17/136141217.db2.gz XTGYGGQQXPQUOH-AWEZNQCLSA-N 0 0 368.433 4.926 20 5 FJBDRN CCOc1ccc(C(=O)Nc2ccccc2-c2cccs2)cc1[N+](=O)[O-] ZINC000105354874 222367844 /nfs/dbraw/zinc/36/78/44/222367844.db2.gz TYQWYKZKOFWWHJ-UHFFFAOYSA-N 0 0 368.414 4.974 20 5 FJBDRN CC(C)CN(Cc1ccccc1F)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000541787962 567831536 /nfs/dbraw/zinc/83/15/36/567831536.db2.gz ZXJVFKDVLXCNBJ-UHFFFAOYSA-N 0 0 363.364 4.563 20 5 FJBDRN CCCN(CCc1cccs1)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000481379353 567862881 /nfs/dbraw/zinc/86/28/81/567862881.db2.gz WDRHURWUDHSVSK-UHFFFAOYSA-N 0 0 361.467 4.760 20 5 FJBDRN O=C(Nc1ccccc1)c1ccc(NCCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000541799685 567866026 /nfs/dbraw/zinc/86/60/26/567866026.db2.gz YFMSFTNUCKCTGQ-UHFFFAOYSA-N 0 0 361.401 4.502 20 5 FJBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)c2cccc(OC(C)C)c2)c1 ZINC000481407038 567905739 /nfs/dbraw/zinc/90/57/39/567905739.db2.gz ATHFXTKZTJUOPC-CYBMUJFWSA-N 0 0 374.462 4.595 20 5 FJBDRN CC(C)Oc1cccc([C@H](C)NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000481418882 567909280 /nfs/dbraw/zinc/90/92/80/567909280.db2.gz VLSFCXNITHMVEA-LBPRGKRZSA-N 0 0 362.813 4.526 20 5 FJBDRN O=C(Nc1cccc(Oc2ccncc2)c1)Nc1ccc([N+](=O)[O-])cc1F ZINC000541833079 567931101 /nfs/dbraw/zinc/93/11/01/567931101.db2.gz ZGJKVOHYWAMKTF-UHFFFAOYSA-N 0 0 368.324 4.565 20 5 FJBDRN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC000481578656 568058825 /nfs/dbraw/zinc/05/88/25/568058825.db2.gz DKZKDALDTMLVIW-XIKOKIGWSA-N 0 0 364.804 4.522 20 5 FJBDRN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC000481626863 568071503 /nfs/dbraw/zinc/07/15/03/568071503.db2.gz YHKNXYYVAMDLOJ-SGTLLEGYSA-N 0 0 364.804 4.522 20 5 FJBDRN Cc1oc2ccc(NC(=O)N3CCc4ccc([N+](=O)[O-])cc4C3)cc2c1C ZINC000481658164 568081982 /nfs/dbraw/zinc/08/19/82/568081982.db2.gz GTSNVAHFDSBDPI-UHFFFAOYSA-N 0 0 365.389 4.548 20 5 FJBDRN Cc1c2ccccc2oc1[C@H](C)NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000481682566 568085253 /nfs/dbraw/zinc/08/52/53/568085253.db2.gz HHSDRCOHYZTMBM-ZDUSSCGKSA-N 0 0 370.430 4.619 20 5 FJBDRN Cc1nc(-c2ccc([C@H](C)Nc3nc(C)ccc3[N+](=O)[O-])cc2)cs1 ZINC000481707591 568091394 /nfs/dbraw/zinc/09/13/94/568091394.db2.gz ORACGSLQYCWUBY-LBPRGKRZSA-N 0 0 354.435 4.903 20 5 FJBDRN Cc1c(C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)oc2c1C(=O)CCC2 ZINC000568670207 568116855 /nfs/dbraw/zinc/11/68/55/568116855.db2.gz REPYVPQMHIUGKN-UHFFFAOYSA-N 0 0 370.405 4.565 20 5 FJBDRN Cc1cc([N+](=O)[O-])ccc1-c1noc(-c2cnccc2Oc2ccccc2)n1 ZINC000568694438 568127279 /nfs/dbraw/zinc/12/72/79/568127279.db2.gz IMRZNGSVPKXZMF-UHFFFAOYSA-N 0 0 374.356 4.808 20 5 FJBDRN C[C@H](C(=O)Nc1ccc(COC2CCCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000568705723 568133946 /nfs/dbraw/zinc/13/39/46/568133946.db2.gz ZZBRBFKKWMTEAA-HNNXBMFYSA-N 0 0 368.433 4.796 20 5 FJBDRN O=[N+]([O-])c1cccc(OCCSc2nc3ccccc3n2C(F)F)c1 ZINC000603723426 568142020 /nfs/dbraw/zinc/14/20/20/568142020.db2.gz VXJLDCAYBFSYFH-UHFFFAOYSA-N 0 0 365.361 4.511 20 5 FJBDRN O=C(c1ccc([N+](=O)[O-])cc1Cl)N(Cc1ccco1)Cc1ccccc1 ZINC000000741280 568145429 /nfs/dbraw/zinc/14/54/29/568145429.db2.gz JOPXKRDZTLQGNI-UHFFFAOYSA-N 0 0 370.792 4.684 20 5 FJBDRN COc1c(-c2nc(-c3c(Cl)cccc3Cl)no2)cccc1[N+](=O)[O-] ZINC000481896849 568167648 /nfs/dbraw/zinc/16/76/48/568167648.db2.gz SMFYMZDBAVSUIJ-UHFFFAOYSA-N 0 0 366.160 4.627 20 5 FJBDRN Cc1cc(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)ccc1C1CC1 ZINC000481905776 568180711 /nfs/dbraw/zinc/18/07/11/568180711.db2.gz PULDURUTGKPSAS-UHFFFAOYSA-N 0 0 365.433 4.977 20 5 FJBDRN O=C1c2ccccc2N[C@@H](c2csc([N+](=O)[O-])c2)N1c1ccc(F)cc1 ZINC000603938035 568184392 /nfs/dbraw/zinc/18/43/92/568184392.db2.gz MZCRZLYCZFQRJP-QGZVFWFLSA-N 0 0 369.377 4.567 20 5 FJBDRN O=[N+]([O-])c1cc(CSc2nc3cc(C(F)(F)F)ccc3[nH]2)cs1 ZINC000603938301 568184486 /nfs/dbraw/zinc/18/44/86/568184486.db2.gz VANHIEWRLLSXEH-UHFFFAOYSA-N 0 0 359.354 4.844 20 5 FJBDRN Cc1ccc([C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)o1 ZINC000481950827 568195448 /nfs/dbraw/zinc/19/54/48/568195448.db2.gz FNAJUTJFAICVBE-ZDUSSCGKSA-N 0 0 362.451 4.735 20 5 FJBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)N(C)C/C(C)=C/c1ccccc1 ZINC000568817967 568230925 /nfs/dbraw/zinc/23/09/25/568230925.db2.gz JFIUHSWQHDXBIX-NTCAYCPXSA-N 0 0 353.422 4.724 20 5 FJBDRN CC(C)c1ccc(C(=O)N2CC[C@@H](C(F)(F)F)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000482017691 568231004 /nfs/dbraw/zinc/23/10/04/568231004.db2.gz PCTVXCQSWRWNRS-OAHLLOKOSA-N 0 0 372.387 4.769 20 5 FJBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C[C@@H](c1ccccc1)C(F)(F)F ZINC000482034592 568235027 /nfs/dbraw/zinc/23/50/27/568235027.db2.gz CFIYVERSBOLGCR-AWEZNQCLSA-N 0 0 366.339 4.886 20 5 FJBDRN COc1ccc([C@H](C)Nc2ccc([N+](=O)[O-])c3cnccc23)c(C)c1OC ZINC000568863432 568237668 /nfs/dbraw/zinc/23/76/68/568237668.db2.gz XPCYICUUJIINLR-ZDUSSCGKSA-N 0 0 367.405 4.642 20 5 FJBDRN COc1cc(/C=C/c2ccc3cc(C)ccc3n2)c([N+](=O)[O-])cc1OC ZINC000007586298 568245393 /nfs/dbraw/zinc/24/53/93/568245393.db2.gz DXWXOKGKLOBGNJ-SOFGYWHQSA-N 0 0 350.374 4.639 20 5 FJBDRN CC[C@H](CSc1ccccc1[N+](=O)[O-])Nc1cccc(CCCO)c1 ZINC000541942523 568259967 /nfs/dbraw/zinc/25/99/67/568259967.db2.gz KLVJSRUZUQFCHT-MRXNPFEDSA-N 0 0 360.479 4.503 20 5 FJBDRN Cc1c(NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)cccc1C(F)(F)F ZINC000568982655 568260844 /nfs/dbraw/zinc/26/08/44/568260844.db2.gz IGEUSPPGFAKMRF-SNVBAGLBSA-N 0 0 352.312 4.664 20 5 FJBDRN Cc1cccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc([N+](=O)[O-])cc2)c1 ZINC000007889604 568260908 /nfs/dbraw/zinc/26/09/08/568260908.db2.gz WEHHEWJOCWCUNX-FQEVSTJZSA-N 0 0 359.385 4.674 20 5 FJBDRN CCOc1ccc(C(=O)N[C@@H](C)c2cccc3ccccc32)cc1[N+](=O)[O-] ZINC000019006018 568261459 /nfs/dbraw/zinc/26/14/59/568261459.db2.gz VNUHTCUPTITBGC-AWEZNQCLSA-N 0 0 364.401 4.638 20 5 FJBDRN O=c1[nH]c(Cc2ccccc2[N+](=O)[O-])nc2ccc(Oc3ccccc3)cc12 ZINC000604435658 568292739 /nfs/dbraw/zinc/29/27/39/568292739.db2.gz NODLWSYBNFUDNX-UHFFFAOYSA-N 0 0 373.368 4.627 20 5 FJBDRN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)NC1(c2ccc(Cl)cc2)CC1 ZINC000482166645 568299729 /nfs/dbraw/zinc/29/97/29/568299729.db2.gz FLISONIBYCUQQN-UHFFFAOYSA-N 0 0 366.204 4.712 20 5 FJBDRN O=C(Nc1ccc(Cl)c2cccnc12)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000604537762 568309102 /nfs/dbraw/zinc/30/91/02/568309102.db2.gz WGVIXXWPPSJKIW-UHFFFAOYSA-N 0 0 366.764 4.530 20 5 FJBDRN CC(C)(C)c1ccc(C(=O)Nc2cccc(OC(F)F)c2)cc1[N+](=O)[O-] ZINC000482220664 568321063 /nfs/dbraw/zinc/32/10/63/568321063.db2.gz MNLNWFPBGQEABR-UHFFFAOYSA-N 0 0 364.348 4.746 20 5 FJBDRN Cc1ccc(NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)c2cccnc12 ZINC000031095597 568323583 /nfs/dbraw/zinc/32/35/83/568323583.db2.gz MOMFGINKIMEXBG-ZDUSSCGKSA-N 0 0 367.430 4.571 20 5 FJBDRN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])s1)C(c1ccccc1)c1ccccc1 ZINC000031383441 568331411 /nfs/dbraw/zinc/33/14/11/568331411.db2.gz GSOIGBWECKRKSK-CQSZACIVSA-N 0 0 366.442 4.607 20 5 FJBDRN O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1sccc1Cl ZINC000569285937 568333517 /nfs/dbraw/zinc/33/35/17/568333517.db2.gz CACTZGRRKIEHCN-UHFFFAOYSA-N 0 0 350.705 4.581 20 5 FJBDRN C[C@H](C(=O)N1CCC(c2ccc(Cl)cc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000569547546 568404379 /nfs/dbraw/zinc/40/43/79/568404379.db2.gz OCUQCRCWJYDUKO-AWEZNQCLSA-N 0 0 372.852 4.758 20 5 FJBDRN C[C@H](C(=O)Nc1ccc(Cl)c2ccncc12)c1cccc([N+](=O)[O-])c1 ZINC000569994171 568447925 /nfs/dbraw/zinc/44/79/25/568447925.db2.gz XFYGMSWFISNMEB-NSHDSACASA-N 0 0 355.781 4.539 20 5 FJBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H](C)C[C@H]1c1ccccc1 ZINC000570012478 568449771 /nfs/dbraw/zinc/44/97/71/568449771.db2.gz LMFBWIYDCVZOBU-LIRRHRJNSA-N 0 0 353.422 4.772 20 5 FJBDRN O=C([C@@H]1CC[C@@H](C(F)(F)F)C1)N(c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000570123364 568452538 /nfs/dbraw/zinc/45/25/38/568452538.db2.gz QIAOUXGYPMUSAK-CHWSQXEVSA-N 0 0 370.371 4.849 20 5 FJBDRN CC[C@H](N[C@H]1CCc2c1cccc2[N+](=O)[O-])c1nc(C(F)(F)F)cs1 ZINC000570176105 568459414 /nfs/dbraw/zinc/45/94/14/568459414.db2.gz ORIGRJGLIIBMAO-RYUDHWBXSA-N 0 0 371.384 4.798 20 5 FJBDRN Cc1cccc(C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)c1[N+](=O)[O-] ZINC000007407697 568504857 /nfs/dbraw/zinc/50/48/57/568504857.db2.gz DPZYVZCKLLLRFU-SNVBAGLBSA-N 0 0 353.205 4.701 20 5 FJBDRN C[C@H](N[C@@H](C)c1ccccc1Cl)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000007499658 568523543 /nfs/dbraw/zinc/52/35/43/568523543.db2.gz DWOGWRGVEQKZOI-RYUDHWBXSA-N 0 0 372.812 4.710 20 5 FJBDRN O=[N+]([O-])c1ccc(CSc2nnc(-c3ccc(F)cc3)o2)c(Cl)c1 ZINC000542009744 568530115 /nfs/dbraw/zinc/53/01/15/568530115.db2.gz ZEAODGMXXQTEEZ-UHFFFAOYSA-N 0 0 365.773 4.730 20 5 FJBDRN C[C@@H](c1ccco1)N(C(=O)c1cc2cc([N+](=O)[O-])ccc2s1)C1CC1 ZINC000056185809 568613659 /nfs/dbraw/zinc/61/36/59/568613659.db2.gz AJFZCZIIQPLEPO-NSHDSACASA-N 0 0 356.403 4.768 20 5 FJBDRN COc1cc(/C=C/c2ccc3c(cccc3[N+](=O)[O-])n2)cc(Cl)c1OC ZINC000008321820 219859154 /nfs/dbraw/zinc/85/91/54/219859154.db2.gz MLMCIOYEEMTVSB-VOTSOKGWSA-N 0 0 370.792 4.984 20 5 FJBDRN C[C@@H](NC(=O)C1(c2ccc(Cl)cc2)CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000108455117 209287714 /nfs/dbraw/zinc/28/77/14/209287714.db2.gz JZULPERJXNXBCZ-CQSZACIVSA-N 0 0 372.852 4.937 20 5 FJBDRN CCOc1ccc(C(=O)N(CC)c2cccc3ccccc32)cc1[N+](=O)[O-] ZINC000106005145 209270621 /nfs/dbraw/zinc/27/06/21/209270621.db2.gz XGBDLTDLMIRHEN-UHFFFAOYSA-N 0 0 364.401 4.813 20 5 FJBDRN Cc1c2cccc(Cl)c2oc1C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000105487219 209265236 /nfs/dbraw/zinc/26/52/36/209265236.db2.gz VJYSSCDXELBBSL-UHFFFAOYSA-N 0 0 356.765 4.506 20 5 FJBDRN Cc1ccc(-c2nc(C(=O)Nc3cc([N+](=O)[O-])ccc3C)cs2)cc1 ZINC000015629632 220157842 /nfs/dbraw/zinc/15/78/42/220157842.db2.gz JPKRFDYWDMGRDV-UHFFFAOYSA-N 0 0 353.403 4.587 20 5 FJBDRN O=[N+]([O-])c1cc(COc2ccccc2-c2ccccc2)c2c(c1)COCO2 ZINC000006231654 206693268 /nfs/dbraw/zinc/69/32/68/206693268.db2.gz FTEGTXNSGXEHSC-UHFFFAOYSA-N 0 0 363.369 4.707 20 5 FJBDRN C[C@H](Sc1ccccc1F)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000016589026 206745825 /nfs/dbraw/zinc/74/58/25/206745825.db2.gz LEMIYGACTFGLBF-VIFPVBQESA-N 0 0 354.790 4.507 20 5 FJBDRN Cc1c(C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)cccc1[N+](=O)[O-] ZINC000004703908 207040375 /nfs/dbraw/zinc/04/03/75/207040375.db2.gz HXNQZQQHIJOCQJ-UHFFFAOYSA-N 0 0 373.821 4.932 20 5 FJBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000007401036 207195788 /nfs/dbraw/zinc/19/57/88/207195788.db2.gz UWGKVFQLGVCJLY-JTQLQIEISA-N 0 0 370.352 4.733 20 5 FJBDRN Cc1c(NC(=O)c2ccc(SC(F)(F)F)cc2)cccc1[N+](=O)[O-] ZINC000007956644 207213663 /nfs/dbraw/zinc/21/36/63/207213663.db2.gz DZMIXFYMKGXRAG-UHFFFAOYSA-N 0 0 356.325 4.767 20 5 FJBDRN Cc1ccc(-c2csc(NC(=O)Cc3ccccc3[N+](=O)[O-])n2)c(C)c1 ZINC000011357724 207312965 /nfs/dbraw/zinc/31/29/65/207312965.db2.gz RGIQXADIECRTFE-UHFFFAOYSA-N 0 0 367.430 4.516 20 5 FJBDRN Cc1sc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)nc1-c1ccc(F)cc1 ZINC000014911057 207530520 /nfs/dbraw/zinc/53/05/20/207530520.db2.gz QKJCPQRBAIGHAF-UHFFFAOYSA-N 0 0 371.393 4.727 20 5 FJBDRN Cc1nc(-c2cccc(Cl)c2)sc1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000017335416 207617720 /nfs/dbraw/zinc/61/77/20/207617720.db2.gz BTPYVEZQBARSBN-UHFFFAOYSA-N 0 0 373.821 4.932 20 5 FJBDRN Cc1cc(C)c(NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)c(Cl)c1 ZINC000023122561 207836510 /nfs/dbraw/zinc/83/65/10/207836510.db2.gz BRPDMOFMZXJBAX-GFCCVEGCSA-N 0 0 364.854 4.984 20 5 FJBDRN Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1Br ZINC000070194017 208150327 /nfs/dbraw/zinc/15/03/27/208150327.db2.gz SPJIQRLTMFWXQT-UHFFFAOYSA-N 0 0 369.602 4.571 20 5 FJBDRN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(c1ccccc1)c1ccccc1 ZINC000031384113 220637022 /nfs/dbraw/zinc/63/70/22/220637022.db2.gz XCNNXEUOQNBGSK-MRXNPFEDSA-N 0 0 360.413 4.545 20 5 FJBDRN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]1c1cccc2ccccc21 ZINC000056362863 221080300 /nfs/dbraw/zinc/08/03/00/221080300.db2.gz AROOTKYMYRTNHL-OAQYLSRUSA-N 0 0 360.413 4.654 20 5 FJBDRN O=C(c1cc2c(s1)CCCCCC2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000071819230 221379944 /nfs/dbraw/zinc/37/99/44/221379944.db2.gz UIGPHLFFJYDZAN-UHFFFAOYSA-N 0 0 356.447 4.518 20 5 FJBDRN O=C1CCCN1c1cccc(-c2csc(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000071971784 221391133 /nfs/dbraw/zinc/39/11/33/221391133.db2.gz SJBOXRAMOKIWKB-UHFFFAOYSA-N 0 0 365.414 4.512 20 5 FJBDRN Cc1ccc(C(=O)C2CCN(c3ccc([N+](=O)[O-])cc3Cl)CC2)cc1 ZINC000108197243 132243150 /nfs/dbraw/zinc/24/31/50/132243150.db2.gz DXRPZHMDLJIXCL-UHFFFAOYSA-N 0 0 358.825 4.656 20 5 FJBDRN CCOc1ccc2c(c1)[C@@H](C)CC(C)(C)N2C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000071845006 136141250 /nfs/dbraw/zinc/14/12/50/136141250.db2.gz WCFWIYUINQZZSU-AWEZNQCLSA-N 0 0 368.433 4.926 20 5 FJBDRN Cc1ccc(C(=O)Nc2cc(Cl)ccc2N2CCCCC2)cc1[N+](=O)[O-] ZINC000072111684 136141816 /nfs/dbraw/zinc/14/18/16/136141816.db2.gz QKCHBVICTALXQP-UHFFFAOYSA-N 0 0 373.840 4.799 20 5 FJBDRN COc1cc(CNc2cccc(C(F)F)c2Cl)c([N+](=O)[O-])cc1O ZINC000541787192 567829975 /nfs/dbraw/zinc/82/99/75/567829975.db2.gz NABREJGRDBMHRA-UHFFFAOYSA-N 0 0 358.728 4.512 20 5 FJBDRN CN(C(=O)Cc1ccc([N+](=O)[O-])cc1Cl)c1cccc2ccccc21 ZINC000568078871 567853418 /nfs/dbraw/zinc/85/34/18/567853418.db2.gz OLEHFQLZSJVCIJ-UHFFFAOYSA-N 0 0 354.793 4.607 20 5 FJBDRN CCCCOc1ncccc1CNCc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000063579281 567878270 /nfs/dbraw/zinc/87/82/70/567878270.db2.gz JANMFDDLGAILPD-UHFFFAOYSA-N 0 0 357.454 4.582 20 5 FJBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 ZINC000481388605 567882614 /nfs/dbraw/zinc/88/26/14/567882614.db2.gz FMIDDAHZAZAFFZ-QWFCFKBJSA-N 0 0 365.433 4.703 20 5 FJBDRN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CNCc1nc(C2CC2)cs1 ZINC000290973841 567900950 /nfs/dbraw/zinc/90/09/50/567900950.db2.gz XTFGLWJKYWKCCJ-UHFFFAOYSA-N 0 0 358.250 4.525 20 5 FJBDRN Cc1ccc(C)c(OCCCCC(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 ZINC000517908797 567914601 /nfs/dbraw/zinc/91/46/01/567914601.db2.gz QSQPFBNFMUIJNG-UHFFFAOYSA-N 0 0 356.422 4.708 20 5 FJBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000481498993 567997156 /nfs/dbraw/zinc/99/71/56/567997156.db2.gz TVYQKXADOXORFL-CTYIDZIISA-N 0 0 374.437 4.522 20 5 FJBDRN COc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(Cl)ccc2C(F)(F)F)c1 ZINC000568439439 568038229 /nfs/dbraw/zinc/03/82/29/568038229.db2.gz LHTWNFXJOBTRHA-UHFFFAOYSA-N 0 0 374.702 4.528 20 5 FJBDRN C[C@H]1CCC[C@H](CCNC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)C1 ZINC000568447574 568039322 /nfs/dbraw/zinc/03/93/22/568039322.db2.gz XHUDROWVKUERLQ-NWDGAFQWSA-N 0 0 358.360 4.560 20 5 FJBDRN Cc1nc(-c2ccc([C@@H](C)Nc3nc(C)ccc3[N+](=O)[O-])cc2)cs1 ZINC000481707590 568091276 /nfs/dbraw/zinc/09/12/76/568091276.db2.gz ORACGSLQYCWUBY-GFCCVEGCSA-N 0 0 354.435 4.903 20 5 FJBDRN Cc1cc(C(=O)N[C@@H](c2ccccc2)c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000481714892 568093927 /nfs/dbraw/zinc/09/39/27/568093927.db2.gz VKWVTDOAPPJKGV-FQEVSTJZSA-N 0 0 364.376 4.562 20 5 FJBDRN CC(C)CO[C@H](C)c1noc(CS[C@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000072909689 568109426 /nfs/dbraw/zinc/10/94/26/568109426.db2.gz MSZPMHYJBPXRRO-CHWSQXEVSA-N 0 0 365.455 4.706 20 5 FJBDRN CC(=O)c1ccc(N[C@@H]2CC(C)(C)Oc3cc(F)ccc32)c([N+](=O)[O-])c1 ZINC000481838758 568146376 /nfs/dbraw/zinc/14/63/76/568146376.db2.gz QJTKUJXDRQSCCD-MRXNPFEDSA-N 0 0 358.369 4.651 20 5 FJBDRN Cc1ccc(-n2ncc(NC(=O)c3csc([N+](=O)[O-])c3)c2C(C)C)cc1 ZINC000481867139 568165058 /nfs/dbraw/zinc/16/50/58/568165058.db2.gz YGTZWHWBPNSFES-UHFFFAOYSA-N 0 0 370.434 4.526 20 5 FJBDRN CCOc1cc(C)ccc1NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000603978388 568193410 /nfs/dbraw/zinc/19/34/10/568193410.db2.gz CDEAJNBMRXMIHK-UHFFFAOYSA-N 0 0 356.422 4.852 20 5 FJBDRN CCOc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1[N+](=O)[O-] ZINC000000817502 568216182 /nfs/dbraw/zinc/21/61/82/568216182.db2.gz SEYZIURNPDOJIP-UHFFFAOYSA-N 0 0 355.177 4.553 20 5 FJBDRN Cc1cccc(C(=O)NCCC(c2ccccc2)c2ccccc2)c1[N+](=O)[O-] ZINC000007346251 568230035 /nfs/dbraw/zinc/23/00/35/568230035.db2.gz NYOWUFIYUVFLES-UHFFFAOYSA-N 0 0 374.440 4.855 20 5 FJBDRN CSc1cccc(N(C)C(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)c1 ZINC000568933699 568253528 /nfs/dbraw/zinc/25/35/28/568253528.db2.gz QAKPPOCVUVTLRZ-UHFFFAOYSA-N 0 0 370.352 4.612 20 5 FJBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H](c2ccc(F)cc2)C2CCC2)c1 ZINC000517928449 568255653 /nfs/dbraw/zinc/25/56/53/568255653.db2.gz LQGNTUGZBVUDIV-SFHVURJKSA-N 0 0 374.437 4.727 20 5 FJBDRN C[C@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)N(c2ccc([N+](=O)[O-])cn2)C1 ZINC000482098991 568268060 /nfs/dbraw/zinc/26/80/60/568268060.db2.gz WVECFSJWROZPHF-NHYWBVRUSA-N 0 0 351.328 4.596 20 5 FJBDRN C[C@@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)N(c2ccc([N+](=O)[O-])nc2)C1 ZINC000482100585 568268177 /nfs/dbraw/zinc/26/81/77/568268177.db2.gz OGTCSAVJXDMADT-ABAIWWIYSA-N 0 0 351.328 4.596 20 5 FJBDRN COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(C(C)(C)C)cc2)cc1SC ZINC000482122708 568281386 /nfs/dbraw/zinc/28/13/86/568281386.db2.gz KPEGLGSNWSAKIF-UHFFFAOYSA-N 0 0 374.462 4.875 20 5 FJBDRN Cc1cc([C@H](C)NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c(C)s1 ZINC000482143905 568285023 /nfs/dbraw/zinc/28/50/23/568285023.db2.gz SYYISUIZBAEWOZ-JTQLQIEISA-N 0 0 360.460 4.979 20 5 FJBDRN O=C(NC1CCCC1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000008081052 568292540 /nfs/dbraw/zinc/29/25/40/568292540.db2.gz PSJFEBAVVVHZJQ-UHFFFAOYSA-N 0 0 360.797 4.713 20 5 FJBDRN CC(C)(C)c1ncc(C(=O)N(c2cccc([N+](=O)[O-])c2)C2CCCC2)s1 ZINC000609483043 568340283 /nfs/dbraw/zinc/34/02/83/568340283.db2.gz UAWZWCGVOJYQHN-UHFFFAOYSA-N 0 0 373.478 4.938 20 5 FJBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H](c2ccc(C)cc2)C2CC2)c1 ZINC000031957312 568344027 /nfs/dbraw/zinc/34/40/27/568344027.db2.gz MBNHYPBYKHQUEA-GOSISDBHSA-N 0 0 356.447 4.506 20 5 FJBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](c2ccc(C)cc2)C2CC2)c1 ZINC000031957314 568344069 /nfs/dbraw/zinc/34/40/69/568344069.db2.gz MBNHYPBYKHQUEA-SFHVURJKSA-N 0 0 356.447 4.506 20 5 FJBDRN COc1ccc(OCC(=O)c2ccc(-c3ccccc3)cc2)c([N+](=O)[O-])c1 ZINC000005051662 568377804 /nfs/dbraw/zinc/37/78/04/568377804.db2.gz KRGUYRRQJBIXSS-UHFFFAOYSA-N 0 0 363.369 4.532 20 5 FJBDRN C[C@@H](C(=O)N(C1CC1)[C@H]1CCCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000569426951 568402031 /nfs/dbraw/zinc/40/20/31/568402031.db2.gz HJZJAICKDAAHSW-VFNWGFHPSA-N 0 0 364.445 4.767 20 5 FJBDRN COc1cc(Cl)ccc1CN[C@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000569816932 568427376 /nfs/dbraw/zinc/42/73/76/568427376.db2.gz DOFXEQVSGNGVMB-OAHLLOKOSA-N 0 0 374.746 4.650 20 5 FJBDRN C[C@H](C(=O)N(Cc1ccc(Cl)cc1)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000570026143 568441832 /nfs/dbraw/zinc/44/18/32/568441832.db2.gz LLNMZVNKRUIQNI-ZDUSSCGKSA-N 0 0 358.825 4.543 20 5 FJBDRN C[C@@H](C(=O)Nc1ccc(Cl)c2ccncc12)c1cccc([N+](=O)[O-])c1 ZINC000569994170 568447872 /nfs/dbraw/zinc/44/78/72/568447872.db2.gz XFYGMSWFISNMEB-LLVKDONJSA-N 0 0 355.781 4.539 20 5 FJBDRN CC[C@@H](N[C@H]1CCc2c1cccc2[N+](=O)[O-])c1nc(C(F)(F)F)cs1 ZINC000570176102 568459390 /nfs/dbraw/zinc/45/93/90/568459390.db2.gz ORIGRJGLIIBMAO-NEPJUHHUSA-N 0 0 371.384 4.798 20 5 FJBDRN COc1cccc(OC)c1OCCCCSc1cccc([N+](=O)[O-])c1 ZINC000570203332 568461044 /nfs/dbraw/zinc/46/10/44/568461044.db2.gz GCJAUOHUTVURAL-UHFFFAOYSA-N 0 0 363.435 4.563 20 5 FJBDRN C[C@@H](Sc1nnc(-c2ccccc2Cl)n1C)c1cccc([N+](=O)[O-])c1 ZINC000007174033 568463885 /nfs/dbraw/zinc/46/38/85/568463885.db2.gz RFDHTCZHYOQPJD-LLVKDONJSA-N 0 0 374.853 4.897 20 5 FJBDRN C[C@@H](NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])c1c(F)cccc1Cl ZINC000570417678 568475229 /nfs/dbraw/zinc/47/52/29/568475229.db2.gz RNMMAAMIZXOWQY-LLVKDONJSA-N 0 0 364.804 4.542 20 5 FJBDRN O=[N+]([O-])c1cccc2c(N3CCC(OCC4CCCCC4)CC3)ccnc21 ZINC000570579048 568487268 /nfs/dbraw/zinc/48/72/68/568487268.db2.gz ZWUKLSNQMAQORW-UHFFFAOYSA-N 0 0 369.465 4.709 20 5 FJBDRN C[C@H](c1ccccc1)n1cnnc1SCc1ccc([N+](=O)[O-])cc1Cl ZINC000542005274 568510233 /nfs/dbraw/zinc/51/02/33/568510233.db2.gz XSULSYGDVXDOHR-GFCCVEGCSA-N 0 0 374.853 4.741 20 5 FJBDRN CCOc1cc(/C=C\c2nc3cc([N+](=O)[O-])ccc3s2)ccc1OC ZINC000033740520 568542783 /nfs/dbraw/zinc/54/27/83/568542783.db2.gz GYDUEGBYBWFYLZ-UITAMQMPSA-N 0 0 356.403 4.782 20 5 FJBDRN Cc1ccc([C@@H](C)NC(=O)Nc2cc(F)ccc2Cl)cc1[N+](=O)[O-] ZINC000531456911 568546634 /nfs/dbraw/zinc/54/66/34/568546634.db2.gz RHHHETOWQQGPOM-SNVBAGLBSA-N 0 0 351.765 4.578 20 5 FJBDRN CN(C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1)C12CC3CC(CC(C3)C1)C2 ZINC001165048039 721986211 /nfs/dbraw/zinc/98/62/11/721986211.db2.gz HSJMLWJGLQFSSQ-UHFFFAOYSA-N 0 0 371.815 4.593 20 5 FJBDRN Cc1sc(C(=O)NC2c3ccccc3Oc3ccccc32)cc1[N+](=O)[O-] ZINC000110385442 209323407 /nfs/dbraw/zinc/32/34/07/209323407.db2.gz OUAPGAMSANBXAW-UHFFFAOYSA-N 0 0 366.398 4.590 20 5 FJBDRN Cc1cccc(S[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000109264351 209302001 /nfs/dbraw/zinc/30/20/01/209302001.db2.gz VBJCIDUACVJTCY-LLVKDONJSA-N 0 0 350.827 4.676 20 5 FJBDRN CN(Cc1ccccc1C(F)(F)F)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000105725515 209267864 /nfs/dbraw/zinc/26/78/64/209267864.db2.gz UWELAZJBIUVAQZ-UHFFFAOYSA-N 0 0 372.730 4.539 20 5 FJBDRN Cc1cc(C)cc(-c2cc(NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])n[nH]2)c1 ZINC000097574356 209187468 /nfs/dbraw/zinc/18/74/68/209187468.db2.gz PPRUECUVAGOYPV-UHFFFAOYSA-N 0 0 370.796 4.507 20 5 FJBDRN COc1cc([N+](=O)[O-])c(C(=O)N(C)c2cccc(C(C)C)c2)cc1SC ZINC000097547409 209186216 /nfs/dbraw/zinc/18/62/16/209186216.db2.gz DRAUXEFPDZKWEB-UHFFFAOYSA-N 0 0 374.462 4.725 20 5 FJBDRN CCNc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] ZINC000014426186 220124469 /nfs/dbraw/zinc/12/44/69/220124469.db2.gz LFJLPWSGPDQQCV-UHFFFAOYSA-N 0 0 354.193 4.586 20 5 FJBDRN Cc1sc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)nc1-c1ccc(C)cc1 ZINC000005753215 207114796 /nfs/dbraw/zinc/11/47/96/207114796.db2.gz ZPQBDNWLHIXEQE-UHFFFAOYSA-N 0 0 367.430 4.896 20 5 FJBDRN Cc1nc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)sc1-c1ccccc1 ZINC000031968412 208021781 /nfs/dbraw/zinc/02/17/81/208021781.db2.gz PBOPTBJPZXNMML-UHFFFAOYSA-N 0 0 373.821 4.932 20 5 FJBDRN Cc1ccc(C(=O)Nc2ccccc2SCC(F)(F)F)cc1[N+](=O)[O-] ZINC000022358543 220384351 /nfs/dbraw/zinc/38/43/51/220384351.db2.gz YDYNUNZLLJUGSI-UHFFFAOYSA-N 0 0 370.352 4.810 20 5 FJBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]1c1ccc(F)cc1 ZINC000025537528 220491472 /nfs/dbraw/zinc/49/14/72/220491472.db2.gz WIZXPQIZICRPAD-ACJLOTCBSA-N 0 0 374.437 4.578 20 5 FJBDRN CCC(=O)Nc1ccc(-c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000055050728 221057384 /nfs/dbraw/zinc/05/73/84/221057384.db2.gz MZEXAOQJSZGTDI-UHFFFAOYSA-N 0 0 353.403 4.734 20 5 FJBDRN O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccccc1Oc1cccc(F)c1 ZINC000059920286 221128094 /nfs/dbraw/zinc/12/80/94/221128094.db2.gz IBGXNUJCOGBLCT-UHFFFAOYSA-N 0 0 366.348 4.707 20 5 FJBDRN O=C(COc1ccc([N+](=O)[O-])cc1C(F)(F)F)c1ccc(Cl)cc1 ZINC000072033509 221397889 /nfs/dbraw/zinc/39/78/89/221397889.db2.gz KKQCFGLLMLRDSX-UHFFFAOYSA-N 0 0 359.687 4.529 20 5 FJBDRN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCCc2cc(Cl)cc(F)c21 ZINC000078770921 132192218 /nfs/dbraw/zinc/19/22/18/132192218.db2.gz HFIGOJCEYAWSBB-UHFFFAOYSA-N 0 0 369.179 4.634 20 5 FJBDRN Cc1ccc(F)cc1NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000006546809 132304930 /nfs/dbraw/zinc/30/49/30/132304930.db2.gz UVJQYDDVRSEYAX-UHFFFAOYSA-N 0 0 371.412 4.531 20 5 FJBDRN O=[N+]([O-])c1ccc(-c2noc(COc3cc(Cl)ccc3Cl)n2)cc1 ZINC000107676564 222399173 /nfs/dbraw/zinc/39/91/73/222399173.db2.gz XFXSCLQCCGYKPX-UHFFFAOYSA-N 0 0 366.160 4.531 20 5 FJBDRN O=C(Nc1ccc([N+](=O)[O-])cc1F)N(Cc1ccoc1)C1CCCCC1 ZINC000541785941 567822042 /nfs/dbraw/zinc/82/20/42/567822042.db2.gz PXSMFVNOHAZOQJ-UHFFFAOYSA-N 0 0 361.373 4.694 20 5 FJBDRN CCn1c(S[C@H](C)c2ccccc2[N+](=O)[O-])nnc1-c1ccc(F)cc1 ZINC000481370307 567824113 /nfs/dbraw/zinc/82/41/13/567824113.db2.gz KQYKXWCCLQPGMH-GFCCVEGCSA-N 0 0 372.425 4.866 20 5 FJBDRN O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCC[C@H]1c1ccc(Cl)cc1 ZINC000541786150 567830164 /nfs/dbraw/zinc/83/01/64/567830164.db2.gz ZDFBESBTMZOZTR-INIZCTEOSA-N 0 0 363.776 4.756 20 5 FJBDRN O=C(c1cccn1C1CCCC1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000452869241 567834051 /nfs/dbraw/zinc/83/40/51/567834051.db2.gz ZBAKCHPRYPJWET-QGZVFWFLSA-N 0 0 367.449 4.531 20 5 FJBDRN CCC(CC)c1cc(C(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)on1 ZINC000452864459 567845152 /nfs/dbraw/zinc/84/51/52/567845152.db2.gz WMQGZNAIROWODC-INIZCTEOSA-N 0 0 371.437 4.506 20 5 FJBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1cccc(C(F)F)c1Cl ZINC000541795204 567861628 /nfs/dbraw/zinc/86/16/28/567861628.db2.gz LCYBGNFJXLHHQE-UHFFFAOYSA-N 0 0 369.755 4.850 20 5 FJBDRN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000008071398 567901150 /nfs/dbraw/zinc/90/11/50/567901150.db2.gz AQNZJKNJFFAEOR-UHFFFAOYSA-N 0 0 364.357 4.648 20 5 FJBDRN O=C(Nc1ccc2nc(C3CC3)sc2c1)Nc1ccc([N+](=O)[O-])cc1F ZINC000541834046 567929235 /nfs/dbraw/zinc/92/92/35/567929235.db2.gz XQKRYMDYNVFNNR-UHFFFAOYSA-N 0 0 372.381 4.865 20 5 FJBDRN CSc1ccc(N(C)C(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)cc1 ZINC000568156816 567961227 /nfs/dbraw/zinc/96/12/27/567961227.db2.gz SOHJSFIRKYQFCX-UHFFFAOYSA-N 0 0 370.352 4.612 20 5 FJBDRN O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1ccc2c3c(cccc31)CC2 ZINC000024708475 568005877 /nfs/dbraw/zinc/00/58/77/568005877.db2.gz NVDZBXSVULTRDN-UHFFFAOYSA-N 0 0 364.426 4.577 20 5 FJBDRN CC1(C)CCC(c2noc(C(F)(F)c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000568566150 568046044 /nfs/dbraw/zinc/04/60/44/568046044.db2.gz PNQYVFOVSIFWGK-UHFFFAOYSA-N 0 0 351.353 4.802 20 5 FJBDRN Cc1ncsc1NC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000568573141 568058425 /nfs/dbraw/zinc/05/84/25/568058425.db2.gz PLQDWYFPMZHUIO-UHFFFAOYSA-N 0 0 371.443 4.763 20 5 FJBDRN C[C@H](c1ccccc1[N+](=O)[O-])N1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC000481626864 568071856 /nfs/dbraw/zinc/07/18/56/568071856.db2.gz YHKNXYYVAMDLOJ-XIKOKIGWSA-N 0 0 364.804 4.522 20 5 FJBDRN Cc1c2ccccc2oc1[C@@H](C)NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000481801077 568127401 /nfs/dbraw/zinc/12/74/01/568127401.db2.gz MXJDANSBIIOSAR-CQSZACIVSA-N 0 0 366.417 4.804 20 5 FJBDRN CN(Cc1ccccc1)C(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000603726500 568143358 /nfs/dbraw/zinc/14/33/58/568143358.db2.gz NGKGJWDUHSLYLZ-UHFFFAOYSA-N 0 0 362.385 4.659 20 5 FJBDRN O=[N+]([O-])c1cc(Cl)ccc1NCc1ccc(COCC(F)(F)F)cc1 ZINC000603846897 568157480 /nfs/dbraw/zinc/15/74/80/568157480.db2.gz JDRJYBNCVMRUQM-UHFFFAOYSA-N 0 0 374.746 4.939 20 5 FJBDRN Cc1nc(NC(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)sc1C ZINC000481948714 568195316 /nfs/dbraw/zinc/19/53/16/568195316.db2.gz WYGNKFINEVXSMR-UHFFFAOYSA-N 0 0 365.480 4.669 20 5 FJBDRN O=C(N[C@H](c1cc2ccccc2o1)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000024876639 568209890 /nfs/dbraw/zinc/20/98/90/568209890.db2.gz YVFDZYBTRWOVGJ-NRFANRHFSA-N 0 0 372.380 4.860 20 5 FJBDRN COc1ccc(-c2csc(/C=C/c3ccccc3[N+](=O)[O-])n2)cc1OC ZINC000007750041 568253133 /nfs/dbraw/zinc/25/31/33/568253133.db2.gz DHHWUJLDBPEUEP-CSKARUKUSA-N 0 0 368.414 4.906 20 5 FJBDRN Cc1ccc(CN2C(=O)c3ccccc3N[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000007889433 568260874 /nfs/dbraw/zinc/26/08/74/568260874.db2.gz ITEVNVKCUUWFNL-OAQYLSRUSA-N 0 0 373.412 4.670 20 5 FJBDRN C[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)N(c2ncccc2[N+](=O)[O-])C1 ZINC000482094565 568263817 /nfs/dbraw/zinc/26/38/17/568263817.db2.gz JQJJOCGDWXNGIO-XHDPSFHLSA-N 0 0 351.328 4.596 20 5 FJBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1ccc(-c2ccccc2F)o1 ZINC000482105599 568274990 /nfs/dbraw/zinc/27/49/90/568274990.db2.gz PLHPKFVTKUIIHT-UHFFFAOYSA-N 0 0 354.337 4.863 20 5 FJBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N2CC(C)(C)[C@@H]2c2cccs2)c1 ZINC000569169757 568299384 /nfs/dbraw/zinc/29/93/84/568299384.db2.gz CDFYJKAJNNTKFI-HNNXBMFYSA-N 0 0 362.476 4.602 20 5 FJBDRN CCC(CC)N(CC(C)C)C(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000482164985 568299589 /nfs/dbraw/zinc/29/95/89/568299589.db2.gz PZMJKUCKAPNOKG-UHFFFAOYSA-N 0 0 368.499 4.612 20 5 FJBDRN Cc1c2ccccc2oc1[C@H](C)NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000482181650 568302356 /nfs/dbraw/zinc/30/23/56/568302356.db2.gz MXDMHOHOQABRES-LBPRGKRZSA-N 0 0 372.808 4.723 20 5 FJBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)Nc1cccc(COC(C)C)c1 ZINC000569278129 568329480 /nfs/dbraw/zinc/32/94/80/568329480.db2.gz SFTFJCLMRUJFTO-UHFFFAOYSA-N 0 0 357.410 4.726 20 5 FJBDRN O=C(c1ccc(F)cc1Cl)N(c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000609482791 568339427 /nfs/dbraw/zinc/33/94/27/568339427.db2.gz CMSBEASHPOHFCY-UHFFFAOYSA-N 0 0 362.788 4.977 20 5 FJBDRN Cc1c(NC(=O)C2(Sc3ccccc3)CCCC2)cccc1[N+](=O)[O-] ZINC000609483118 568340713 /nfs/dbraw/zinc/34/07/13/568340713.db2.gz SBMUGNACBANJNA-UHFFFAOYSA-N 0 0 356.447 4.947 20 5 FJBDRN O=C(N[C@@H]1C[C@@H]1c1c(F)cccc1F)c1cc2ccccc2c2cccnc12 ZINC000604719604 568352312 /nfs/dbraw/zinc/35/23/12/568352312.db2.gz ZLFUHKNVFWOBNO-OXJNMPFZSA-N 0 0 374.390 4.952 20 5 FJBDRN c1ccc(-c2nc(SCc3nc4ccccc4c4ccccc34)n[nH]2)nc1 ZINC000604932755 568395149 /nfs/dbraw/zinc/39/51/49/568395149.db2.gz JSEXLCYLVWELAM-UHFFFAOYSA-N 0 0 369.453 4.860 20 5 FJBDRN Cc1cc(NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])ccc1OC(C)C ZINC000569388306 568400151 /nfs/dbraw/zinc/40/01/51/568400151.db2.gz RSUNGMFWYQOYSF-UHFFFAOYSA-N 0 0 356.422 4.607 20 5 FJBDRN O=C(Nc1ccccc1)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000006597740 568404772 /nfs/dbraw/zinc/40/47/72/568404772.db2.gz GLJYGPSCSOGURK-UHFFFAOYSA-N 0 0 350.399 4.998 20 5 FJBDRN C/C=C\c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Br)cc1 ZINC000569616819 568410254 /nfs/dbraw/zinc/41/02/54/568410254.db2.gz BRLIYZXPDZEPCW-IHWYPQMZSA-N 0 0 361.195 4.643 20 5 FJBDRN CC(C)c1ccc(-c2noc(C(C)(C)c3ccc([N+](=O)[O-])cc3F)n2)cn1 ZINC000569740742 568416667 /nfs/dbraw/zinc/41/66/67/568416667.db2.gz GNXYWEIKKLNQQI-UHFFFAOYSA-N 0 0 370.384 4.628 20 5 FJBDRN Cc1noc(C)c1[C@H](C)CC(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000570101460 568450771 /nfs/dbraw/zinc/45/07/71/568450771.db2.gz OVZBSCNBMCXZPK-LLVKDONJSA-N 0 0 359.426 4.629 20 5 FJBDRN Cc1cc(N2CCCCCC2)ccc1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000570067709 568456157 /nfs/dbraw/zinc/45/61/57/568456157.db2.gz YMLOGNIQRMYHEF-UHFFFAOYSA-N 0 0 353.422 4.536 20 5 FJBDRN Cn1c(=O)c2cc3ccccc3cc2nc1SCc1cccc(F)c1 ZINC000007169185 568462268 /nfs/dbraw/zinc/46/22/68/568462268.db2.gz KTDJYZFEQBWNMN-UHFFFAOYSA-N 0 0 350.418 4.518 20 5 FJBDRN O=C(Nc1ccccc1-c1ccccc1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000570229423 568463689 /nfs/dbraw/zinc/46/36/89/568463689.db2.gz PVTHMZZTUSGAJM-UHFFFAOYSA-N 0 0 373.412 4.852 20 5 FJBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)c1nc(C2(COC)CCCCC2)no1 ZINC000570439126 568476535 /nfs/dbraw/zinc/47/65/35/568476535.db2.gz JIXHNFOUQWWXBW-MRXNPFEDSA-N 0 0 373.453 4.562 20 5 FJBDRN CN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000007406463 568504729 /nfs/dbraw/zinc/50/47/29/568504729.db2.gz ISDNMTSPVYLADC-UHFFFAOYSA-N 0 0 373.623 4.827 20 5 FJBDRN Cc1ccccc1COc1cccc(NC(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000482246985 568523371 /nfs/dbraw/zinc/52/33/71/568523371.db2.gz VTMJZHQTMSNBPW-UHFFFAOYSA-N 0 0 368.414 4.796 20 5 FJBDRN O=[N+]([O-])c1ccccc1CSc1nnc(Nc2cccc(F)c2)s1 ZINC000007577077 568538478 /nfs/dbraw/zinc/53/84/78/568538478.db2.gz OFTVGLOACSEFHS-UHFFFAOYSA-N 0 0 362.411 4.621 20 5 FJBDRN CC[C@H](CN(CC)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)c1ccccc1 ZINC000482263001 568540336 /nfs/dbraw/zinc/54/03/36/568540336.db2.gz ZMUYDJOBMXNXJQ-OAHLLOKOSA-N 0 0 365.433 4.732 20 5 FJBDRN Cc1cc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])ccc1Br ZINC000003562202 209497321 /nfs/dbraw/zinc/49/73/21/209497321.db2.gz LNYISZCUDRHIEW-UHFFFAOYSA-N 0 0 369.602 4.571 20 5 FJBDRN COc1ccc(N(C(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@H](C)C2CC2)cc1 ZINC000109749986 209311973 /nfs/dbraw/zinc/31/19/73/209311973.db2.gz FWFRFISBGYSFEX-GFCCVEGCSA-N 0 0 374.824 4.702 20 5 FJBDRN CCCCCN(C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)[C@H](C)CCC ZINC000109080755 209296956 /nfs/dbraw/zinc/29/69/56/209296956.db2.gz HEJJLTHGRDUEER-MRXNPFEDSA-N 0 0 372.469 4.602 20 5 FJBDRN Cc1ccc(-c2nc(C(=O)N[C@@H](C)c3cccc([N+](=O)[O-])c3)cs2)cc1 ZINC000108289133 209284254 /nfs/dbraw/zinc/28/42/54/209284254.db2.gz ASCRWXINJNLQLP-ZDUSSCGKSA-N 0 0 367.430 4.518 20 5 FJBDRN Cc1ccc(NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)cc1Cl ZINC000014428782 220124843 /nfs/dbraw/zinc/12/48/43/220124843.db2.gz ZJPHEUSAHSTEHT-UHFFFAOYSA-N 0 0 369.602 4.571 20 5 FJBDRN O=C(Nc1ccc(-c2nccs2)cc1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000017590900 220217012 /nfs/dbraw/zinc/21/70/12/220217012.db2.gz KVAFYIDCNXJPLF-UHFFFAOYSA-N 0 0 359.794 4.624 20 5 FJBDRN Cc1cc(C)c(-c2csc(NC(=O)c3cccc([N+](=O)[O-])c3)n2)cc1C ZINC000007756621 207205812 /nfs/dbraw/zinc/20/58/12/207205812.db2.gz VDKGLBHGKFDOSQ-UHFFFAOYSA-N 0 0 367.430 4.896 20 5 FJBDRN O=C(c1ccccc1)c1ccc(Oc2ccc(F)cc2F)c([N+](=O)[O-])c1 ZINC000032509620 208029209 /nfs/dbraw/zinc/02/92/09/208029209.db2.gz UHAMIMQRLMOSLY-UHFFFAOYSA-N 0 0 355.296 4.896 20 5 FJBDRN Cc1ccc(-c2csc(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)n2)s1 ZINC000021768058 220366558 /nfs/dbraw/zinc/36/65/58/220366558.db2.gz DNRFPUJZAZCOKU-UHFFFAOYSA-N 0 0 359.432 4.649 20 5 FJBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Cl)c(F)c1 ZINC000071930702 208788918 /nfs/dbraw/zinc/78/89/18/208788918.db2.gz FLXJLKDBHZALCZ-SECBINFHSA-N 0 0 354.790 4.507 20 5 FJBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(-c2nc3ccccc3o2)cc1 ZINC000072068702 208797109 /nfs/dbraw/zinc/79/71/09/208797109.db2.gz SYKFCTPORIVWCJ-UHFFFAOYSA-N 0 0 373.368 4.964 20 5 FJBDRN Cc1ccc(Br)cc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000046372801 220982993 /nfs/dbraw/zinc/98/29/93/220982993.db2.gz VACBDXLLVLVKMW-UHFFFAOYSA-N 0 0 369.602 4.571 20 5 FJBDRN O=[N+]([O-])c1ccc(OCc2cc(F)cc3cccnc32)c(C(F)(F)F)c1 ZINC000072033656 221397842 /nfs/dbraw/zinc/39/78/42/221397842.db2.gz LCIDUWWQXVCRQO-UHFFFAOYSA-N 0 0 366.270 4.880 20 5 FJBDRN Cc1ccc(CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C(C)C)s1 ZINC000072030297 221398536 /nfs/dbraw/zinc/39/85/36/221398536.db2.gz GQCYRAVHJOCQEN-UHFFFAOYSA-N 0 0 352.843 4.669 20 5 FJBDRN Cc1cc(F)ccc1NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000004901366 132304271 /nfs/dbraw/zinc/30/42/71/132304271.db2.gz JKOVHAFGNKQSDK-UHFFFAOYSA-N 0 0 371.412 4.531 20 5 FJBDRN COc1ccc(C(=O)Nc2cccc(Nc3ccccc3)c2)cc1[N+](=O)[O-] ZINC000098076356 222226651 /nfs/dbraw/zinc/22/66/51/222226651.db2.gz GJDZPMUZEPPFNF-UHFFFAOYSA-N 0 0 363.373 4.599 20 5 FJBDRN Cc1cc(C(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)ccc1[N+](=O)[O-] ZINC000105323619 222367926 /nfs/dbraw/zinc/36/79/26/222367926.db2.gz IROSFTVRLGBFNT-UHFFFAOYSA-N 0 0 368.389 4.587 20 5 FJBDRN Cc1cc(C(=O)N([C@@H](C)c2ccc(Cl)cc2)C2CC2)ccc1[N+](=O)[O-] ZINC000105914140 222379008 /nfs/dbraw/zinc/37/90/08/222379008.db2.gz PXYQIJNBDJYGCC-ZDUSSCGKSA-N 0 0 358.825 4.922 20 5 FJBDRN C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1F)c1ccccc1C(F)(F)F ZINC000541785463 567823343 /nfs/dbraw/zinc/82/33/43/567823343.db2.gz RXUQUEWOQMFYTI-VIFPVBQESA-N 0 0 371.290 4.635 20 5 FJBDRN C[C@@H](Sc1nnc(-c2cccc(Cl)c2)n1C)c1ccccc1[N+](=O)[O-] ZINC000481368350 567824050 /nfs/dbraw/zinc/82/40/50/567824050.db2.gz FRSYSTHGVGULDL-LLVKDONJSA-N 0 0 374.853 4.897 20 5 FJBDRN O=C(NCCc1cccc([N+](=O)[O-])c1)Nc1cccc(C(F)F)c1Cl ZINC000541789364 567829825 /nfs/dbraw/zinc/82/98/25/567829825.db2.gz GIVSNKYBHVLHJP-UHFFFAOYSA-N 0 0 369.755 4.550 20 5 FJBDRN O=C(Nc1ccc(COC2CCCC2)cc1)Nc1ccc([N+](=O)[O-])cc1F ZINC000541785908 567830212 /nfs/dbraw/zinc/83/02/12/567830212.db2.gz OBCSIJLCBWAXGZ-UHFFFAOYSA-N 0 0 373.384 4.837 20 5 FJBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc([C@@H](C)Oc2ccccc2)no1 ZINC000568077873 567860188 /nfs/dbraw/zinc/86/01/88/567860188.db2.gz UNJPYHSRHHMPRJ-ZBFHGGJFSA-N 0 0 367.405 4.854 20 5 FJBDRN O=C(Nc1ccccc1NCCc1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000541799254 567864172 /nfs/dbraw/zinc/86/41/72/567864172.db2.gz SVFKIUFLCLRDKU-UHFFFAOYSA-N 0 0 367.430 4.563 20 5 FJBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000481388603 567876479 /nfs/dbraw/zinc/87/64/79/567876479.db2.gz FMIDDAHZAZAFFZ-NLWGTHIKSA-N 0 0 365.433 4.703 20 5 FJBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2c(c1)CCO2 ZINC000481503108 568004526 /nfs/dbraw/zinc/00/45/26/568004526.db2.gz DYQQVHNDRZIVCJ-UHFFFAOYSA-N 0 0 372.446 4.530 20 5 FJBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccsc1Cl ZINC000186965696 568028671 /nfs/dbraw/zinc/02/86/71/568028671.db2.gz QTNCGZPRIRSEPB-UHFFFAOYSA-N 0 0 363.247 4.694 20 5 FJBDRN O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000481554567 568047202 /nfs/dbraw/zinc/04/72/02/568047202.db2.gz ISMCTMBPAXVGMO-CQSZACIVSA-N 0 0 357.385 4.536 20 5 FJBDRN O=[N+]([O-])c1ccc(N2CCCn3c(cc4ccccc43)C2)cc1OC(F)F ZINC000568554296 568050875 /nfs/dbraw/zinc/05/08/75/568050875.db2.gz SKEKOQDDSZIHKG-UHFFFAOYSA-N 0 0 373.359 4.561 20 5 FJBDRN Cc1cc(F)ccc1-c1noc(C(C)(C)c2ccc([N+](=O)[O-])cc2F)n1 ZINC000568560896 568051544 /nfs/dbraw/zinc/05/15/44/568051544.db2.gz QAKFVBGSWKRFDJ-UHFFFAOYSA-N 0 0 359.332 4.557 20 5 FJBDRN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC000481578654 568060530 /nfs/dbraw/zinc/06/05/30/568060530.db2.gz DKZKDALDTMLVIW-SGTLLEGYSA-N 0 0 364.804 4.522 20 5 FJBDRN Cc1ccc([N+](=O)[O-])c(NCc2ccc(COCc3ccccc3)cc2)n1 ZINC000481694278 568092320 /nfs/dbraw/zinc/09/23/20/568092320.db2.gz LBCQSZRCQUXCBH-UHFFFAOYSA-N 0 0 363.417 4.627 20 5 FJBDRN Cc1c(C(=O)N[C@H](c2ccccc2)c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000481739697 568100131 /nfs/dbraw/zinc/10/01/31/568100131.db2.gz IZCOHPDEXDEEEI-HXUWFJFHSA-N 0 0 364.376 4.562 20 5 FJBDRN CC(=O)Nc1ccc(SCc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1 ZINC000159291038 568109046 /nfs/dbraw/zinc/10/90/46/568109046.db2.gz FULOETCAASUZMS-UHFFFAOYSA-N 0 0 370.352 4.864 20 5 FJBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)C[C@@H]2c2ccccc2)c1 ZINC000568679245 568120271 /nfs/dbraw/zinc/12/02/71/568120271.db2.gz WXFKYYNPCQMGSG-SCLBCKFNSA-N 0 0 356.447 4.540 20 5 FJBDRN O=C(c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)N1CC[C@H]1C1CC1 ZINC000452981862 568123593 /nfs/dbraw/zinc/12/35/93/568123593.db2.gz AYYCMKJYCHMAEQ-INIZCTEOSA-N 0 0 372.808 4.665 20 5 FJBDRN Cc1c2ccccc2oc1[C@@H](C)NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000481812040 568131173 /nfs/dbraw/zinc/13/11/73/568131173.db2.gz HGRCVVJTJKNXIA-CHWSQXEVSA-N 0 0 370.380 4.769 20 5 FJBDRN O=C1CCc2cc([N+](=O)[O-])c(NC(c3ccccc3)c3ccccc3)cc2N1 ZINC000603836917 568159716 /nfs/dbraw/zinc/15/97/16/568159716.db2.gz HVGUKUMGCVHZDI-UHFFFAOYSA-N 0 0 373.412 4.681 20 5 FJBDRN Cc1cc(NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)ccc1C1CC1 ZINC000481912660 568180873 /nfs/dbraw/zinc/18/08/73/568180873.db2.gz YCOXMRAONJUJRH-UHFFFAOYSA-N 0 0 365.433 4.977 20 5 FJBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)C[C@@H](c1ccccc1)C(F)(F)F ZINC000481971291 568202449 /nfs/dbraw/zinc/20/24/49/568202449.db2.gz CJFJSUHWSQVJPP-AWEZNQCLSA-N 0 0 352.312 4.578 20 5 FJBDRN Cc1ccc(Cl)cc1NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000007399003 568231479 /nfs/dbraw/zinc/23/14/79/568231479.db2.gz IPEHGWUHNAFFRL-NSHDSACASA-N 0 0 350.827 4.676 20 5 FJBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H](C)c1cc2ccccc2o1 ZINC000482045067 568238189 /nfs/dbraw/zinc/23/81/89/568238189.db2.gz RDTQSRLMNNIGCA-HNNXBMFYSA-N 0 0 366.417 4.882 20 5 FJBDRN Cc1c2cc(Cl)ccc2oc1C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000302998541 568249300 /nfs/dbraw/zinc/24/93/00/568249300.db2.gz XRZXEHWCNXCDBT-UHFFFAOYSA-N 0 0 356.765 4.506 20 5 FJBDRN CCOc1ccc([C@H](Nc2ccc([N+](=O)[O-])nc2)C(C)C)cc1OCC ZINC000568929749 568253394 /nfs/dbraw/zinc/25/33/94/568253394.db2.gz JOTLLMDFNVTFOI-LJQANCHMSA-N 0 0 359.426 4.596 20 5 FJBDRN C[C@@H](c1nc(Cc2c(F)cccc2Cl)no1)c1cccc([N+](=O)[O-])c1 ZINC000568931059 568253441 /nfs/dbraw/zinc/25/34/41/568253441.db2.gz BCMBRGVJTFCJAC-SNVBAGLBSA-N 0 0 361.760 4.513 20 5 FJBDRN COc1cc([C@H](C)Nc2nc(C)cc(C)c2[N+](=O)[O-])ccc1OC(C)C ZINC000541936545 568259399 /nfs/dbraw/zinc/25/93/99/568259399.db2.gz ONICTTMIPWWUNR-AWEZNQCLSA-N 0 0 359.426 4.576 20 5 FJBDRN Cc1ccc([C@H]2Nc3ccccc3C(=O)N2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000007889461 568260839 /nfs/dbraw/zinc/26/08/39/568260839.db2.gz DGNSZUMQXAUZKT-NRFANRHFSA-N 0 0 373.412 4.670 20 5 FJBDRN O=C(Nc1cccc([N+](=O)[O-])c1)c1sc2cc(F)ccc2c1Cl ZINC000007942890 568266323 /nfs/dbraw/zinc/26/63/23/568266323.db2.gz JVSAXOYHZNTSSZ-UHFFFAOYSA-N 0 0 350.758 4.854 20 5 FJBDRN C[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)N(c2ccc([N+](=O)[O-])cn2)C1 ZINC000482098993 568268033 /nfs/dbraw/zinc/26/80/33/568268033.db2.gz WVECFSJWROZPHF-XHDPSFHLSA-N 0 0 351.328 4.596 20 5 FJBDRN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N([C@@H](C)c1ccccc1)C1CC1 ZINC000482115841 568280226 /nfs/dbraw/zinc/28/02/26/568280226.db2.gz WAMQTTGETQXNES-HNNXBMFYSA-N 0 0 353.422 4.969 20 5 FJBDRN CC[C@@H](c1ccccc1OC)N(C)C(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000482157535 568293213 /nfs/dbraw/zinc/29/32/13/568293213.db2.gz HFMPNSCRXPYCCD-KRWDZBQOSA-N 0 0 371.437 4.835 20 5 FJBDRN CCCCc1ccc(NC(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])cc1 ZINC000482164977 568299602 /nfs/dbraw/zinc/29/96/02/568299602.db2.gz QUSAJMWOSLTQHA-UHFFFAOYSA-N 0 0 374.462 4.920 20 5 FJBDRN CSc1cccc(C(=O)N[C@@H](C)c2oc3ccccc3c2C)c1[N+](=O)[O-] ZINC000482171674 568300423 /nfs/dbraw/zinc/30/04/23/568300423.db2.gz QRYWACRPIHRLQM-LBPRGKRZSA-N 0 0 370.430 4.862 20 5 FJBDRN Cc1ccccc1-c1csc(NC(=O)c2cccc([N+](=O)[O-])c2C)n1 ZINC000031790158 568339844 /nfs/dbraw/zinc/33/98/44/568339844.db2.gz FWHKTRJVWNQKQX-UHFFFAOYSA-N 0 0 353.403 4.587 20 5 FJBDRN Cc1cccc(C)c1[C@H](C)NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000569295675 568343874 /nfs/dbraw/zinc/34/38/74/568343874.db2.gz UNRXZVCPPHAZJI-LBPRGKRZSA-N 0 0 366.339 4.721 20 5 FJBDRN CO[C@@H](C)c1cccc(NCc2cc([N+](=O)[O-])ccc2C(F)(F)F)c1 ZINC000453077384 568391425 /nfs/dbraw/zinc/39/14/25/568391425.db2.gz GZCVJJREXAKHOT-NSHDSACASA-N 0 0 354.328 4.933 20 5 FJBDRN CCOc1ccc(C(=O)N(C)Cc2ccc(C(C)(C)C)cc2)cc1[N+](=O)[O-] ZINC000032516390 568393735 /nfs/dbraw/zinc/39/37/35/568393735.db2.gz PAYWNLBFUPBHDY-UHFFFAOYSA-N 0 0 370.449 4.563 20 5 FJBDRN O=C(Nc1ccc(Oc2cccnc2)cc1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000570122603 568452433 /nfs/dbraw/zinc/45/24/33/568452433.db2.gz GNXWMDUHUWNCGM-UHFFFAOYSA-N 0 0 369.764 4.688 20 5 FJBDRN CC[C@@H](N[C@@H]1CCc2c1cccc2[N+](=O)[O-])c1nc(C(F)(F)F)cs1 ZINC000570176106 568459404 /nfs/dbraw/zinc/45/94/04/568459404.db2.gz ORIGRJGLIIBMAO-VXGBXAGGSA-N 0 0 371.384 4.798 20 5 FJBDRN Cc1ccc(-n2cnnc2S[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000007189096 568471410 /nfs/dbraw/zinc/47/14/10/568471410.db2.gz MMCXUFJEDKNNPS-LBPRGKRZSA-N 0 0 374.853 4.991 20 5 FJBDRN CC(=O)c1ccc(Sc2nnc(Nc3ccccc3)s2)c([N+](=O)[O-])c1 ZINC000007272349 568484295 /nfs/dbraw/zinc/48/42/95/568484295.db2.gz UTJWUJUAPOGQDV-UHFFFAOYSA-N 0 0 372.431 4.544 20 5 FJBDRN C[C@@H](N[C@@H](C)c1ccccc1Cl)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000007499663 568523516 /nfs/dbraw/zinc/52/35/16/568523516.db2.gz DWOGWRGVEQKZOI-NWDGAFQWSA-N 0 0 372.812 4.710 20 5 FJBDRN C[C@H](NC(=O)N1CC(C)(C)[C@@H]1c1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000482247715 568532969 /nfs/dbraw/zinc/53/29/69/568532969.db2.gz XDUCGRIIEVNCEO-LRDDRELGSA-N 0 0 359.451 4.510 20 5 FJBDRN Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000128802893 568537375 /nfs/dbraw/zinc/53/73/75/568537375.db2.gz TVPQCGUPSWPJLQ-GFCCVEGCSA-N 0 0 362.455 4.708 20 5 FJBDRN COc1ccc(CNc2ccc(Cl)c(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000324162700 568732506 /nfs/dbraw/zinc/73/25/06/568732506.db2.gz ZZEQEWIYTJIKME-UHFFFAOYSA-N 0 0 360.719 4.888 20 5 FJBDRN