smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(C(=O)Nc2nc3c(s2)C[N@H+](Cc2ccccc2)CC3)cc1[N+](=O)[O-] ZINC000003524256 845033993 /nfs/dbraw/zinc/03/39/93/845033993.db2.gz QMNQGYGFJAHTEH-UHFFFAOYSA-N 1 2 408.483 4.170 20 5 HIBDLO Cc1ccc(C(=O)Nc2nc3c(s2)C[N@@H+](Cc2ccccc2)CC3)cc1[N+](=O)[O-] ZINC000003524256 845034000 /nfs/dbraw/zinc/03/40/00/845034000.db2.gz QMNQGYGFJAHTEH-UHFFFAOYSA-N 1 2 408.483 4.170 20 5 HIBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000022289650 846553853 /nfs/dbraw/zinc/55/38/53/846553853.db2.gz SMNDFWBIDJUONC-ZDUSSCGKSA-N 1 2 406.533 4.157 20 5 HIBDLO Cc1cn2cc(NC(=O)c3cc(F)cc4c(=O)c5cccc(F)c5[nH]c34)ccc2[nH+]1 ZINC000436361935 861694438 /nfs/dbraw/zinc/69/44/38/861694438.db2.gz OFXNXNOKVMPQNK-UHFFFAOYSA-N 1 2 404.376 4.168 20 5 HIBDLO O=C(C[N@@H+]1CCC[C@H]1Cc1ccccc1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000025439075 846977684 /nfs/dbraw/zinc/97/76/84/846977684.db2.gz MTQPBCAUSBPDEA-HNNXBMFYSA-N 1 2 418.291 4.003 20 5 HIBDLO O=C(C[N@H+]1CCC[C@H]1Cc1ccccc1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000025439075 846977692 /nfs/dbraw/zinc/97/76/92/846977692.db2.gz MTQPBCAUSBPDEA-HNNXBMFYSA-N 1 2 418.291 4.003 20 5 HIBDLO CC(C)CC(=O)Nc1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1 ZINC000032141311 847988193 /nfs/dbraw/zinc/98/81/93/847988193.db2.gz VALBVRGNKCACFH-UHFFFAOYSA-N 1 2 407.430 4.017 20 5 HIBDLO CC[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccccc1OC(F)F ZINC000032245941 847994337 /nfs/dbraw/zinc/99/43/37/847994337.db2.gz MZXTZIXZIXXARO-HNNXBMFYSA-N 1 2 416.384 4.263 20 5 HIBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC(CCc2ccccc2)CC1 ZINC000033229638 848129715 /nfs/dbraw/zinc/12/97/15/848129715.db2.gz HTBZPVXQIBQFRS-UHFFFAOYSA-N 1 2 404.470 4.266 20 5 HIBDLO C[C@H](c1nnc(Sc2ccc([N+](=O)[O-])cc2F)n1-c1ccc(F)cc1)[NH+](C)C ZINC000042097325 848285303 /nfs/dbraw/zinc/28/53/03/848285303.db2.gz XYZVRQUQWOVVBZ-LLVKDONJSA-N 1 2 405.430 4.228 20 5 HIBDLO Cc1nc(-c2ccc(NC(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)cc2)oc1C ZINC000054136947 849814841 /nfs/dbraw/zinc/81/48/41/849814841.db2.gz JIDVHZVNVDUELS-UHFFFAOYSA-N 1 2 403.398 4.305 20 5 HIBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC000060483420 851115271 /nfs/dbraw/zinc/11/52/71/851115271.db2.gz ZEUBBIZMLVUTAC-CQSZACIVSA-N 1 2 415.877 4.170 20 5 HIBDLO Cc1cccc(N2CC[NH+]([C@@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)c1C ZINC000071805501 852408037 /nfs/dbraw/zinc/40/80/37/852408037.db2.gz MXHVTGITYMYGBT-KRWDZBQOSA-N 1 2 407.474 4.145 20 5 HIBDLO CCOc1ccc([C@H]2CCCN2C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1 ZINC000104961470 852685479 /nfs/dbraw/zinc/68/54/79/852685479.db2.gz NQRCHEMUVRJKQW-LJQANCHMSA-N 1 2 406.442 4.157 20 5 HIBDLO CC(C)CCSc1ccc(C(=O)N2CCC(n3cc[nH+]c3)CC2)cc1[N+](=O)[O-] ZINC000110279784 853084277 /nfs/dbraw/zinc/08/42/77/853084277.db2.gz KHKOKHQMVSPCIK-UHFFFAOYSA-N 1 2 402.520 4.407 20 5 HIBDLO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000139034055 853402570 /nfs/dbraw/zinc/40/25/70/853402570.db2.gz HIOHBWFGQVSVJJ-UHFFFAOYSA-N 1 2 417.535 4.480 20 5 HIBDLO Cc1cc(C)c(NC(=O)C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)c(C)c1 ZINC000237918100 854118865 /nfs/dbraw/zinc/11/88/65/854118865.db2.gz MAGDEUNEJVJQEE-UHFFFAOYSA-N 1 2 410.499 4.372 20 5 HIBDLO O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000301132268 854306267 /nfs/dbraw/zinc/30/62/67/854306267.db2.gz WHFRIWOSKQLGOT-UHFFFAOYSA-N 1 2 407.308 4.320 20 5 HIBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCC(COc2ccccc2)CC1 ZINC000303573984 855049433 /nfs/dbraw/zinc/04/94/33/855049433.db2.gz YXPQJLXCGYPOLG-OAHLLOKOSA-N 1 2 417.893 4.366 20 5 HIBDLO O=C(NCCC[NH+](Cc1ccccc1)Cc1ccccc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000379452344 855423992 /nfs/dbraw/zinc/42/39/92/855423992.db2.gz LGZZFUAFKOISNE-UHFFFAOYSA-N 1 2 419.481 4.123 20 5 HIBDLO COc1cc(C[NH2+]Cc2cn3ccsc3n2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000409490607 855507101 /nfs/dbraw/zinc/50/71/01/855507101.db2.gz IDYOCVUEXOQMMC-UHFFFAOYSA-N 1 2 424.482 4.181 20 5 HIBDLO O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410253865 855883051 /nfs/dbraw/zinc/88/30/51/855883051.db2.gz DJELTOOKWOHJLF-CQSZACIVSA-N 1 2 410.499 4.362 20 5 HIBDLO O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410258293 855886122 /nfs/dbraw/zinc/88/61/22/855886122.db2.gz PVJYKZBUVVAHLO-ZDUSSCGKSA-N 1 2 422.407 4.166 20 5 HIBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+](CCc3ccccc3)Cc3cccnc3)o2)cc1 ZINC000429294780 857594608 /nfs/dbraw/zinc/59/46/08/857594608.db2.gz RYVANTKMDIODBT-UHFFFAOYSA-N 1 2 415.453 4.285 20 5 HIBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+](CCc3ccccc3)Cc3cccnc3)o2)cc1 ZINC000429294780 857594618 /nfs/dbraw/zinc/59/46/18/857594618.db2.gz RYVANTKMDIODBT-UHFFFAOYSA-N 1 2 415.453 4.285 20 5 HIBDLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000429609747 857791813 /nfs/dbraw/zinc/79/18/13/857791813.db2.gz JOCPAKRYXDEUEE-UHFFFAOYSA-N 1 2 413.400 4.317 20 5 HIBDLO Cc1cc([C@H]2CCC[N@@H+]2Cc2ccc(C(N)=O)cc2[N+](=O)[O-])ccc1Br ZINC000430242298 858094182 /nfs/dbraw/zinc/09/41/82/858094182.db2.gz RTBPJDDVHPQIIJ-QGZVFWFLSA-N 1 2 418.291 4.102 20 5 HIBDLO Cc1cc([C@H]2CCC[N@H+]2Cc2ccc(C(N)=O)cc2[N+](=O)[O-])ccc1Br ZINC000430242298 858094199 /nfs/dbraw/zinc/09/41/99/858094199.db2.gz RTBPJDDVHPQIIJ-QGZVFWFLSA-N 1 2 418.291 4.102 20 5 HIBDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)NC(C)(C)c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000431077733 858437222 /nfs/dbraw/zinc/43/72/22/858437222.db2.gz PUMGCYLRKRNOKD-AWEZNQCLSA-N 1 2 417.535 4.340 20 5 HIBDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)NC(C)(C)c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000431077733 858437228 /nfs/dbraw/zinc/43/72/28/858437228.db2.gz PUMGCYLRKRNOKD-AWEZNQCLSA-N 1 2 417.535 4.340 20 5 HIBDLO COc1ccc([C@@H]([NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)c2nccn2C)cc1 ZINC000433137492 859535413 /nfs/dbraw/zinc/53/54/13/859535413.db2.gz UCGVOZLVUNJJQX-NHCUHLMSSA-N 1 2 406.486 4.439 20 5 HIBDLO CC[C@@H](NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)c1cccc([N+](=O)[O-])c1 ZINC000434304853 860267387 /nfs/dbraw/zinc/26/73/87/860267387.db2.gz IZJLWVFPGVZTSC-HXUWFJFHSA-N 1 2 411.506 4.168 20 5 HIBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCC(c2ncc3n2CCCC3)CC1 ZINC000434679815 860456985 /nfs/dbraw/zinc/45/69/85/860456985.db2.gz QRKCHQPJQUXAEK-HNNXBMFYSA-N 1 2 422.489 4.118 20 5 HIBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434679815 860456990 /nfs/dbraw/zinc/45/69/90/860456990.db2.gz QRKCHQPJQUXAEK-HNNXBMFYSA-N 1 2 422.489 4.118 20 5 HIBDLO Cc1[nH+]c[nH]c1CNC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000467759633 881576349 /nfs/dbraw/zinc/57/63/49/881576349.db2.gz PNDAFXUEJBEHTP-UHFFFAOYSA-N 1 2 402.863 4.361 20 5 HIBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000439932590 865233699 /nfs/dbraw/zinc/23/36/99/865233699.db2.gz OMYARFWOXNMODV-CTNGQTDRSA-N 1 2 421.457 4.240 20 5 HIBDLO CC[C@@](C)([NH2+]CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1nccs1 ZINC000440709297 865870748 /nfs/dbraw/zinc/87/07/48/865870748.db2.gz BYBZEMXQVSRZMH-GOSISDBHSA-N 1 2 417.516 4.028 20 5 HIBDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000440807429 865926334 /nfs/dbraw/zinc/92/63/34/865926334.db2.gz HZXZJQXNBQCMNZ-LAUBAEHRSA-N 1 2 407.474 4.210 20 5 HIBDLO CCO[C@@H](C)c1nc(CN2CC[NH+]([C@H](C)c3cccc([N+](=O)[O-])c3)CC2)cs1 ZINC000441346421 866417592 /nfs/dbraw/zinc/41/75/92/866417592.db2.gz ADFPMYHFXHTXAX-CVEARBPZSA-N 1 2 404.536 4.028 20 5 HIBDLO C[C@@H](c1nc(-c2cccs2)no1)N1CC[NH+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000441373109 866441650 /nfs/dbraw/zinc/44/16/50/866441650.db2.gz AICCJCRZRHIGKK-GJZGRUSLSA-N 1 2 413.503 4.146 20 5 HIBDLO C[C@@H]([NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1ccc(Br)s1 ZINC000443335705 867910028 /nfs/dbraw/zinc/91/00/28/867910028.db2.gz OYBTZTOHZAUJLU-SECBINFHSA-N 1 2 409.265 4.320 20 5 HIBDLO C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444096278 868614254 /nfs/dbraw/zinc/61/42/54/868614254.db2.gz OFZPQLBNGWPOPI-SFHVURJKSA-N 1 2 411.505 4.028 20 5 HIBDLO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444096278 868614261 /nfs/dbraw/zinc/61/42/61/868614261.db2.gz OFZPQLBNGWPOPI-SFHVURJKSA-N 1 2 411.505 4.028 20 5 HIBDLO COc1ccc([C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)c2ccc(F)cc2)cc1 ZINC000444664478 868944230 /nfs/dbraw/zinc/94/42/30/868944230.db2.gz NXGSLGUVIIWKBU-JOCHJYFZSA-N 1 2 406.417 4.498 20 5 HIBDLO CC[N@@H+]1CC[C@H](NC(=O)c2c(C)cccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000446303689 870229429 /nfs/dbraw/zinc/22/94/29/870229429.db2.gz WKLDVIPMTJTDOB-QFBILLFUSA-N 1 2 405.857 4.261 20 5 HIBDLO CC[N@H+]1CC[C@H](NC(=O)c2c(C)cccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000446303689 870229439 /nfs/dbraw/zinc/22/94/39/870229439.db2.gz WKLDVIPMTJTDOB-QFBILLFUSA-N 1 2 405.857 4.261 20 5 HIBDLO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]Cc1noc(-c2cccc(Br)c2)n1 ZINC000448277971 872200763 /nfs/dbraw/zinc/20/07/63/872200763.db2.gz GWLUTEFOJCKOBN-DAXSKMNVSA-N 1 2 415.247 4.210 20 5 HIBDLO CC(C)N(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1cnc2ccccc2c1 ZINC000448461574 872423119 /nfs/dbraw/zinc/42/31/19/872423119.db2.gz MHBYKRCAYRYXCL-UHFFFAOYSA-N 1 2 401.426 4.384 20 5 HIBDLO Cc1cc(Sc2nnc(C[NH+]3CCCC3)n2-c2ccccc2)c(F)cc1[N+](=O)[O-] ZINC000461717657 874866370 /nfs/dbraw/zinc/86/63/70/874866370.db2.gz KEZQHTQOAKTAQJ-UHFFFAOYSA-N 1 2 413.478 4.370 20 5 HIBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000462760563 875823954 /nfs/dbraw/zinc/82/39/54/875823954.db2.gz JUCDGWDQVHHBFH-NQERJWCQSA-N 1 2 417.456 4.003 20 5 HIBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000462760563 875823960 /nfs/dbraw/zinc/82/39/60/875823960.db2.gz JUCDGWDQVHHBFH-NQERJWCQSA-N 1 2 417.456 4.003 20 5 HIBDLO C[C@@H](c1cccc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000463867320 876987353 /nfs/dbraw/zinc/98/73/53/876987353.db2.gz STSJEFDYLPIVOD-ZDUSSCGKSA-N 1 2 423.391 4.259 20 5 HIBDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000463979190 877109329 /nfs/dbraw/zinc/10/93/29/877109329.db2.gz UYFFNHNEVRYKOF-UHFFFAOYSA-N 1 2 411.506 4.377 20 5 HIBDLO O=[N+]([O-])c1ccccc1-c1ccc(CNc2cccc(CN3CCOCC3)[nH+]2)s1 ZINC000503261802 912240638 /nfs/dbraw/zinc/24/06/38/912240638.db2.gz UZXRYISPPJLMHD-UHFFFAOYSA-N 1 2 410.499 4.163 20 5 HIBDLO Cc1ccc(Cl)cc1NC(=O)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464775499 878016722 /nfs/dbraw/zinc/01/67/22/878016722.db2.gz JYIAVLGLCGMSDG-UHFFFAOYSA-N 1 2 403.866 4.039 20 5 HIBDLO Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464782969 878029974 /nfs/dbraw/zinc/02/99/74/878029974.db2.gz DDSBYRLBTJIEBP-OAHLLOKOSA-N 1 2 417.893 4.427 20 5 HIBDLO Cc1ccc(NC(=O)c2ccc(N3CC[C@H](Oc4cc[nH+]cc4)C3)c([N+](=O)[O-])c2)cc1 ZINC000469090385 883177057 /nfs/dbraw/zinc/17/70/57/883177057.db2.gz YEFZYXVMYVSKMR-FQEVSTJZSA-N 1 2 418.453 4.208 20 5 HIBDLO CCOc1ccc(NC(=O)C[NH2+][C@H](c2ccc(C)cc2)c2ccccn2)c([N+](=O)[O-])c1 ZINC000471064688 885581529 /nfs/dbraw/zinc/58/15/29/885581529.db2.gz FVEINTZNMWKVFL-HSZRJFAPSA-N 1 2 420.469 4.015 20 5 HIBDLO COc1cccc(C=C2CC[NH+]([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)CC2)c1 ZINC000473025001 887850101 /nfs/dbraw/zinc/85/01/01/887850101.db2.gz RGEXALRORDVUSV-QGZVFWFLSA-N 1 2 409.486 4.418 20 5 HIBDLO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCSC[C@@H]3c3nccs3)o2)c1 ZINC000473451529 888177112 /nfs/dbraw/zinc/17/71/12/888177112.db2.gz VKIHTCOCTRVYLN-OAHLLOKOSA-N 1 2 402.501 4.039 20 5 HIBDLO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCSC[C@@H]3c3nccs3)o2)c1 ZINC000473451529 888177129 /nfs/dbraw/zinc/17/71/29/888177129.db2.gz VKIHTCOCTRVYLN-OAHLLOKOSA-N 1 2 402.501 4.039 20 5 HIBDLO O=[N+]([O-])c1cc(C[NH2+]Cc2ccc(I)cc2Cl)cs1 ZINC000475629154 890569413 /nfs/dbraw/zinc/56/94/13/890569413.db2.gz ULBUYTSYKHMOKO-UHFFFAOYSA-N 1 2 408.648 4.204 20 5 HIBDLO O=[N+]([O-])c1ccc(NCC[NH2+][C@H](c2nc(-c3ccccc3)no2)c2ccccc2)cc1 ZINC000475757206 890704501 /nfs/dbraw/zinc/70/45/01/890704501.db2.gz QYELWRXLEGFHTA-NRFANRHFSA-N 1 2 415.453 4.436 20 5 HIBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC=C(c2cccc(Cl)c2)CC1 ZINC000477385810 892344398 /nfs/dbraw/zinc/34/43/98/892344398.db2.gz USNUYWVAYRILGS-UHFFFAOYSA-N 1 2 408.845 4.363 20 5 HIBDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000483237976 898881273 /nfs/dbraw/zinc/88/12/73/898881273.db2.gz CFZNDCFAAWDTRT-QGZVFWFLSA-N 1 2 419.485 4.167 20 5 HIBDLO CC[C@@](C)([NH2+]Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-])c1nccs1 ZINC000505600935 914305858 /nfs/dbraw/zinc/30/58/58/914305858.db2.gz AAMXAZNULIEDOR-QGZVFWFLSA-N 1 2 401.435 4.119 20 5 HIBDLO COc1cc(C[NH2+]C(C)(C)c2nc(C)cs2)c([N+](=O)[O-])cc1OCC(F)F ZINC000505629088 914328586 /nfs/dbraw/zinc/32/85/86/914328586.db2.gz CWRJTBSHLSUAFQ-UHFFFAOYSA-N 1 2 401.435 4.037 20 5 HIBDLO CN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@@H](c1ccccc1)C(F)(F)F ZINC000485251543 900536938 /nfs/dbraw/zinc/53/69/38/900536938.db2.gz CMZQDKUMDLRYHF-KRWDZBQOSA-N 1 2 404.348 4.156 20 5 HIBDLO O=C(Nc1nc2ccccc2n1CCCn1cc[nH+]c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000485253939 900539495 /nfs/dbraw/zinc/53/94/95/900539495.db2.gz JVJFCPWTBOAGHY-UHFFFAOYSA-N 1 2 424.848 4.137 20 5 HIBDLO CC[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000485742313 900997090 /nfs/dbraw/zinc/99/70/90/900997090.db2.gz GWKFSCFCZPRKRK-UHFFFAOYSA-N 1 2 411.380 4.083 20 5 HIBDLO CC[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000485742313 900997100 /nfs/dbraw/zinc/99/71/00/900997100.db2.gz GWKFSCFCZPRKRK-UHFFFAOYSA-N 1 2 411.380 4.083 20 5 HIBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000490032321 903734198 /nfs/dbraw/zinc/73/41/98/903734198.db2.gz MZPFBRQJKYKQGV-ZBFHGGJFSA-N 1 2 402.882 4.152 20 5 HIBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000490032321 903734207 /nfs/dbraw/zinc/73/42/07/903734207.db2.gz MZPFBRQJKYKQGV-ZBFHGGJFSA-N 1 2 402.882 4.152 20 5 HIBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000490057331 903748048 /nfs/dbraw/zinc/74/80/48/903748048.db2.gz RGDQWLHAAMEVRI-HNNXBMFYSA-N 1 2 414.531 4.057 20 5 HIBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000490057331 903748057 /nfs/dbraw/zinc/74/80/57/903748057.db2.gz RGDQWLHAAMEVRI-HNNXBMFYSA-N 1 2 414.531 4.057 20 5 HIBDLO COC[C@H](c1ccc(Cl)cc1)[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000490062462 903751241 /nfs/dbraw/zinc/75/12/41/903751241.db2.gz ZWQSXBOYBYCBBH-QGZVFWFLSA-N 1 2 412.273 4.160 20 5 HIBDLO COC[C@H](c1ccc(Cl)cc1)[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000490062462 903751252 /nfs/dbraw/zinc/75/12/52/903751252.db2.gz ZWQSXBOYBYCBBH-QGZVFWFLSA-N 1 2 412.273 4.160 20 5 HIBDLO COc1cc(CNc2ccc(-n3cc[nH+]c3)c(F)c2)c([N+](=O)[O-])cc1OCC(F)F ZINC000490395676 903981841 /nfs/dbraw/zinc/98/18/41/903981841.db2.gz CHJXXYSSWVAAGH-UHFFFAOYSA-N 1 2 422.363 4.184 20 5 HIBDLO CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)c2cc(C)cc([N+](=O)[O-])c2)cc1 ZINC000497494028 906979528 /nfs/dbraw/zinc/97/95/28/906979528.db2.gz NKSWKXJDGCYKEV-UHFFFAOYSA-N 1 2 422.485 4.231 20 5 HIBDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)c3ccc([N+](=O)[O-])c4cccnc34)n2)C1 ZINC000498878645 908276623 /nfs/dbraw/zinc/27/66/23/908276623.db2.gz RSXAUQIFUPADOG-CYBMUJFWSA-N 1 2 411.487 4.084 20 5 HIBDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)c3ccc([N+](=O)[O-])c4cccnc34)n2)C1 ZINC000498878645 908276633 /nfs/dbraw/zinc/27/66/33/908276633.db2.gz RSXAUQIFUPADOG-CYBMUJFWSA-N 1 2 411.487 4.084 20 5 HIBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cc(F)c(F)cc1Br ZINC000513007117 921471417 /nfs/dbraw/zinc/47/14/17/921471417.db2.gz JKODKYTUPCRDPH-UHFFFAOYSA-N 1 2 401.207 4.324 20 5 HIBDLO C[N@H+](Cc1cnn(-c2ccc(Br)cc2)c1)Cc1ccccc1[N+](=O)[O-] ZINC000507151959 915893476 /nfs/dbraw/zinc/89/34/76/915893476.db2.gz MXOOOSDNYPBYJJ-UHFFFAOYSA-N 1 2 401.264 4.175 20 5 HIBDLO C[N@@H+](Cc1cnn(-c2ccc(Br)cc2)c1)Cc1ccccc1[N+](=O)[O-] ZINC000507151959 915893479 /nfs/dbraw/zinc/89/34/79/915893479.db2.gz MXOOOSDNYPBYJJ-UHFFFAOYSA-N 1 2 401.264 4.175 20 5 HIBDLO COc1ccc([C@H](C)[NH2+]Cc2c(F)cc([N+](=O)[O-])cc2F)cc1Br ZINC000508977056 917732043 /nfs/dbraw/zinc/73/20/43/917732043.db2.gz IOCMPVQYCJPERP-VIFPVBQESA-N 1 2 401.207 4.495 20 5 HIBDLO NC(=O)[C@@H]([NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000509579939 918227870 /nfs/dbraw/zinc/22/78/70/918227870.db2.gz UAFALLDNSNMLNM-FQEVSTJZSA-N 1 2 411.845 4.357 20 5 HIBDLO Cc1ccc(Sc2ccc(C[NH2+][C@H](C(N)=O)c3ccccc3)cc2[N+](=O)[O-])cc1 ZINC000509584794 918234017 /nfs/dbraw/zinc/23/40/17/918234017.db2.gz SKGRAVVLUHUQET-NRFANRHFSA-N 1 2 407.495 4.371 20 5 HIBDLO C[C@@H](NC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1)c1cccc([N+](=O)[O-])c1 ZINC000509595546 918243765 /nfs/dbraw/zinc/24/37/65/918243765.db2.gz ZWBHAKMZDVZYFQ-ZIAGYGMSSA-N 1 2 403.508 4.166 20 5 HIBDLO C[C@@H](NC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1)c1cccc([N+](=O)[O-])c1 ZINC000509595546 918243778 /nfs/dbraw/zinc/24/37/78/918243778.db2.gz ZWBHAKMZDVZYFQ-ZIAGYGMSSA-N 1 2 403.508 4.166 20 5 HIBDLO CC1CC[NH+](Cc2csc(NC(=O)CSc3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000509685755 918316547 /nfs/dbraw/zinc/31/65/47/918316547.db2.gz ROVLYEYUSDNENA-UHFFFAOYSA-N 1 2 406.533 4.014 20 5 HIBDLO O=C(Nc1ccnc(Oc2ccccc2)c1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000509886736 918489271 /nfs/dbraw/zinc/48/92/71/918489271.db2.gz VQOBALOMSYYTKQ-UHFFFAOYSA-N 1 2 401.382 4.220 20 5 HIBDLO O=C(Nc1cccnc1)N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000510009314 918590354 /nfs/dbraw/zinc/59/03/54/918590354.db2.gz HEJUBSUYYITVAI-UHFFFAOYSA-N 1 2 423.498 4.068 20 5 HIBDLO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CC=C(c3ccnn3C)CC2)cc1OC ZINC000511096462 919698339 /nfs/dbraw/zinc/69/83/39/919698339.db2.gz PEHZMWGKVPPMAM-MRXNPFEDSA-N 1 2 414.506 4.051 20 5 HIBDLO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CC=C(c3ccnn3C)CC2)cc1OC ZINC000511096462 919698351 /nfs/dbraw/zinc/69/83/51/919698351.db2.gz PEHZMWGKVPPMAM-MRXNPFEDSA-N 1 2 414.506 4.051 20 5 HIBDLO Cn1ccnc1[C@H]([NH2+]CCOc1ccc(C(F)(F)F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000513713239 922033036 /nfs/dbraw/zinc/03/30/36/922033036.db2.gz MPRHWPIENNETOB-GOSISDBHSA-N 1 2 420.391 4.105 20 5 HIBDLO O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CC[NH2+][C@H](c2cccc(Cl)c2)C1 ZINC000513990426 922312272 /nfs/dbraw/zinc/31/22/72/922312272.db2.gz VXIUBRXHYFDZPA-INIZCTEOSA-N 1 2 401.875 4.250 20 5 HIBDLO Cn1ccnc1[C@@H]([NH2+]C[C@H](Cc1ccccc1)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000515020898 922881608 /nfs/dbraw/zinc/88/16/08/922881608.db2.gz SHNAUUYLCKIGQR-HKUYNNGSSA-N 1 2 418.419 4.429 20 5 HIBDLO Cn1ccnc1[C@H]([NH2+]C[C@H](Cc1ccccc1)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000516120924 923556538 /nfs/dbraw/zinc/55/65/38/923556538.db2.gz VYQFUEIJXDDLQU-PKOBYXMFSA-N 1 2 418.419 4.429 20 5 HIBDLO C[C@@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)[N@@H+]1CCc2sccc2C1 ZINC000520020599 928246150 /nfs/dbraw/zinc/24/61/50/928246150.db2.gz XSDJFGQAKJOXTC-LBPRGKRZSA-N 1 2 401.513 4.048 20 5 HIBDLO C[C@@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)[N@H+]1CCc2sccc2C1 ZINC000520020599 928246164 /nfs/dbraw/zinc/24/61/64/928246164.db2.gz XSDJFGQAKJOXTC-LBPRGKRZSA-N 1 2 401.513 4.048 20 5 HIBDLO CC[N@@H+]1CC[C@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000530466449 930721176 /nfs/dbraw/zinc/72/11/76/930721176.db2.gz ADKPPEQDDBZNNG-QFBILLFUSA-N 1 2 422.407 4.278 20 5 HIBDLO CC[N@H+]1CC[C@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000530466449 930721182 /nfs/dbraw/zinc/72/11/82/930721182.db2.gz ADKPPEQDDBZNNG-QFBILLFUSA-N 1 2 422.407 4.278 20 5 HIBDLO COc1ccc(C[N@@H+]2CCC[C@H](NC(=O)c3ccc4ccccc4c3)C2)cc1[N+](=O)[O-] ZINC000533068718 931761810 /nfs/dbraw/zinc/76/18/10/931761810.db2.gz QTXLMDVLRRTIMG-NRFANRHFSA-N 1 2 419.481 4.151 20 5 HIBDLO COc1ccc(C[N@H+]2CCC[C@H](NC(=O)c3ccc4ccccc4c3)C2)cc1[N+](=O)[O-] ZINC000533068718 931761816 /nfs/dbraw/zinc/76/18/16/931761816.db2.gz QTXLMDVLRRTIMG-NRFANRHFSA-N 1 2 419.481 4.151 20 5 HIBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC=C(c2c[nH]c3cc(C)ccc32)CC1 ZINC000533351145 931845894 /nfs/dbraw/zinc/84/58/94/931845894.db2.gz BCQPEIDFPNSBOJ-UHFFFAOYSA-N 1 2 420.469 4.121 20 5 HIBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC=C(c2c[nH]c3cc(C)ccc32)CC1 ZINC000533351145 931845896 /nfs/dbraw/zinc/84/58/96/931845896.db2.gz BCQPEIDFPNSBOJ-UHFFFAOYSA-N 1 2 420.469 4.121 20 5 HIBDLO COc1cccc(C[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H]2CCCO2)c1 ZINC000534114550 932286322 /nfs/dbraw/zinc/28/63/22/932286322.db2.gz NZYWSIHAFRCROP-QFIPXVFZSA-N 1 2 423.469 4.440 20 5 HIBDLO COc1cccc(C[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H]2CCCO2)c1 ZINC000534114550 932286328 /nfs/dbraw/zinc/28/63/28/932286328.db2.gz NZYWSIHAFRCROP-QFIPXVFZSA-N 1 2 423.469 4.440 20 5 HIBDLO CSc1ccc(C(=O)c2ccccc2C(=O)Nc2cc(C)[nH+]cc2C)cc1[N+](=O)[O-] ZINC000534299592 932378408 /nfs/dbraw/zinc/37/84/08/932378408.db2.gz RQWNYWCHSPWVGO-UHFFFAOYSA-N 1 2 421.478 4.234 20 5 HIBDLO COc1ccc(C(=O)C2CC[NH+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)CC2)cc1 ZINC000535524443 933215055 /nfs/dbraw/zinc/21/50/55/933215055.db2.gz KLCKQTPQKYTORG-UHFFFAOYSA-N 1 2 421.453 4.353 20 5 HIBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CC(c2nc3ccccc3s2)C1 ZINC000535665865 933309675 /nfs/dbraw/zinc/30/96/75/933309675.db2.gz NVBDPUHEKXDACR-LBPRGKRZSA-N 1 2 407.455 4.415 20 5 HIBDLO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3ccc(N(C)c4ccccc4)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000535810924 933406938 /nfs/dbraw/zinc/40/69/38/933406938.db2.gz FGNSIYBQYHXLDA-WTIAFYNJSA-N 1 2 411.502 4.131 20 5 HIBDLO CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3ccc(N(C)c4ccccc4)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000535810924 933406946 /nfs/dbraw/zinc/40/69/46/933406946.db2.gz FGNSIYBQYHXLDA-WTIAFYNJSA-N 1 2 411.502 4.131 20 5 HIBDLO C[N@@H+]1CC[C@@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535886530 933468172 /nfs/dbraw/zinc/46/81/72/933468172.db2.gz VSNWYMUCULJIQR-MOPGFXCFSA-N 1 2 416.840 4.044 20 5 HIBDLO C[N@H+]1CC[C@@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535886530 933468174 /nfs/dbraw/zinc/46/81/74/933468174.db2.gz VSNWYMUCULJIQR-MOPGFXCFSA-N 1 2 416.840 4.044 20 5 HIBDLO COCCSc1ccc([C@@H](C)[NH2+]Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1 ZINC000538206414 938554734 /nfs/dbraw/zinc/55/47/34/938554734.db2.gz NOXMSBKUAHEHOW-CQSZACIVSA-N 1 2 414.487 4.234 20 5 HIBDLO CC[N@@H+]1CC[C@H](NC(=O)c2ccc(F)cc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000539124467 938806434 /nfs/dbraw/zinc/80/64/34/938806434.db2.gz FKMKPWYROXVEOG-FUHWJXTLSA-N 1 2 409.820 4.092 20 5 HIBDLO CC[N@H+]1CC[C@H](NC(=O)c2ccc(F)cc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000539124467 938806435 /nfs/dbraw/zinc/80/64/35/938806435.db2.gz FKMKPWYROXVEOG-FUHWJXTLSA-N 1 2 409.820 4.092 20 5 HIBDLO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3ccc(Oc4ccc(F)cc4)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000539901726 938973574 /nfs/dbraw/zinc/97/35/74/938973574.db2.gz QFFLVIMNKDZVND-SVFBPWRDSA-N 1 2 416.449 4.295 20 5 HIBDLO CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3ccc(Oc4ccc(F)cc4)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000539901726 938973584 /nfs/dbraw/zinc/97/35/84/938973584.db2.gz QFFLVIMNKDZVND-SVFBPWRDSA-N 1 2 416.449 4.295 20 5 HIBDLO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3ccc(Oc4ccc(F)cc4)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000539901723 938973736 /nfs/dbraw/zinc/97/37/36/938973736.db2.gz QFFLVIMNKDZVND-DYXWJJEUSA-N 1 2 416.449 4.295 20 5 HIBDLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3ccc(Oc4ccc(F)cc4)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000539901723 938973743 /nfs/dbraw/zinc/97/37/43/938973743.db2.gz QFFLVIMNKDZVND-DYXWJJEUSA-N 1 2 416.449 4.295 20 5 HIBDLO CCc1nnc(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)s1 ZINC000563574540 945221498 /nfs/dbraw/zinc/22/14/98/945221498.db2.gz PHLOOCZWVHLIJC-UHFFFAOYSA-N 1 2 420.498 4.151 20 5 HIBDLO CC[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540228655 939149509 /nfs/dbraw/zinc/14/95/09/939149509.db2.gz QJNQYPJKZVDEMF-ROUUACIJSA-N 1 2 409.820 4.092 20 5 HIBDLO CC[N@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540228655 939149522 /nfs/dbraw/zinc/14/95/22/939149522.db2.gz QJNQYPJKZVDEMF-ROUUACIJSA-N 1 2 409.820 4.092 20 5 HIBDLO CC[N@@H+]1CC[C@H](NC(=O)NCc2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540254645 939171860 /nfs/dbraw/zinc/17/18/60/939171860.db2.gz OARIWMWAHFDGOJ-RBUKOAKNSA-N 1 2 420.872 4.022 20 5 HIBDLO CC[N@H+]1CC[C@H](NC(=O)NCc2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540254645 939171865 /nfs/dbraw/zinc/17/18/65/939171865.db2.gz OARIWMWAHFDGOJ-RBUKOAKNSA-N 1 2 420.872 4.022 20 5 HIBDLO Cc1cc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)nn1-c1ccccc1Cl ZINC000540745617 939356597 /nfs/dbraw/zinc/35/65/97/939356597.db2.gz VYFMJTOINDRHGG-UHFFFAOYSA-N 1 2 422.832 4.180 20 5 HIBDLO CC(C)[N@@H+]1CC[C@@H](NC(=O)c2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540799259 939376418 /nfs/dbraw/zinc/37/64/18/939376418.db2.gz CZRYQOKHRXPZEW-MJGOQNOKSA-N 1 2 405.857 4.341 20 5 HIBDLO CC(C)[N@H+]1CC[C@@H](NC(=O)c2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540799259 939376420 /nfs/dbraw/zinc/37/64/20/939376420.db2.gz CZRYQOKHRXPZEW-MJGOQNOKSA-N 1 2 405.857 4.341 20 5 HIBDLO O=C(NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1)c1ccccc1[N+](=O)[O-] ZINC000541301021 939490117 /nfs/dbraw/zinc/49/01/17/939490117.db2.gz MWQYWHNOBOGKEB-UHFFFAOYSA-N 1 2 408.285 4.296 20 5 HIBDLO O=C(Nc1nc(Cc2ccccc2)cs1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000541349374 939494594 /nfs/dbraw/zinc/49/45/94/939494594.db2.gz LYDYQMOYZASXDJ-UHFFFAOYSA-N 1 2 405.439 4.080 20 5 HIBDLO CC[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C)c1cc2ccccc2o1 ZINC000544070321 940317401 /nfs/dbraw/zinc/31/74/01/940317401.db2.gz RREVCVXJOMABSI-HNNXBMFYSA-N 1 2 402.472 4.198 20 5 HIBDLO CC[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C)c1cc2ccccc2o1 ZINC000544070321 940317406 /nfs/dbraw/zinc/31/74/06/940317406.db2.gz RREVCVXJOMABSI-HNNXBMFYSA-N 1 2 402.472 4.198 20 5 HIBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](C)c1nc(C2CCCCC2)no1 ZINC000544520174 940470415 /nfs/dbraw/zinc/47/04/15/940470415.db2.gz QQPQCZYBLKHEHG-AWEZNQCLSA-N 1 2 401.467 4.013 20 5 HIBDLO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)N[C@@H](C)c3cccc([N+](=O)[O-])c3)c2C1 ZINC000546091401 940698174 /nfs/dbraw/zinc/69/81/74/940698174.db2.gz YFMJWUNXXZCTNO-HNNXBMFYSA-N 1 2 404.470 4.012 20 5 HIBDLO CC[N@H+]1CCc2nc3ccccc3c(C(=O)N[C@@H](C)c3cccc([N+](=O)[O-])c3)c2C1 ZINC000546091401 940698177 /nfs/dbraw/zinc/69/81/77/940698177.db2.gz YFMJWUNXXZCTNO-HNNXBMFYSA-N 1 2 404.470 4.012 20 5 HIBDLO CC(C)(C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)c1ccc([N+](=O)[O-])cc1F ZINC000546538702 940847272 /nfs/dbraw/zinc/84/72/72/940847272.db2.gz OCBDUVSCZLNPMF-UHFFFAOYSA-N 1 2 402.813 4.489 20 5 HIBDLO CO[C@@H](C[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000552248656 941614133 /nfs/dbraw/zinc/61/41/33/941614133.db2.gz OBRDFEAWCWUUFA-RBUKOAKNSA-N 1 2 400.866 4.048 20 5 HIBDLO Cc1ccc([C@@H](C)[NH2+]Cc2cn(-c3ccccc3Br)nn2)cc1[N+](=O)[O-] ZINC000552564118 941708568 /nfs/dbraw/zinc/70/85/68/941708568.db2.gz RPXPAADUUZSYFT-CYBMUJFWSA-N 1 2 416.279 4.097 20 5 HIBDLO O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000554286652 942091299 /nfs/dbraw/zinc/09/12/99/942091299.db2.gz OPJGJJSLLSUILX-UHFFFAOYSA-N 1 2 405.439 4.215 20 5 HIBDLO COc1ccccc1[C@@H](C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)OC(C)C ZINC000556890710 942953161 /nfs/dbraw/zinc/95/31/61/942953161.db2.gz QQHUPLBMJZQZSL-FGZHOGPDSA-N 1 2 424.501 4.182 20 5 HIBDLO Cn1ccnc1[C@H]([NH2+]C[C@H](c1ccccc1)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000556891238 942954620 /nfs/dbraw/zinc/95/46/20/942954620.db2.gz COWNQBBRSYRKMT-QZTJIDSGSA-N 1 2 404.392 4.353 20 5 HIBDLO Cc1ncsc1C[NH2+][C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000557152028 943033318 /nfs/dbraw/zinc/03/33/18/943033318.db2.gz OZPIUHWHVBOTKY-SFHVURJKSA-N 1 2 416.890 4.483 20 5 HIBDLO CCOc1ccc([C@@H](C)[NH2+]Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1OCC ZINC000557448809 943132454 /nfs/dbraw/zinc/13/24/54/943132454.db2.gz OKOOSKAOQIBPNY-CQSZACIVSA-N 1 2 412.446 4.293 20 5 HIBDLO CO[C@H](C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000560528436 944242503 /nfs/dbraw/zinc/24/25/03/944242503.db2.gz FXNJZOSAIHZPFD-RTBURBONSA-N 1 2 400.866 4.048 20 5 HIBDLO CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000565925999 945934020 /nfs/dbraw/zinc/93/40/20/945934020.db2.gz MRIMILOHPIZSMK-FOPRYUNUSA-N 1 2 421.419 4.067 20 5 HIBDLO CC[N@H+]1CC[C@H](NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000565925999 945934044 /nfs/dbraw/zinc/93/40/44/945934044.db2.gz MRIMILOHPIZSMK-FOPRYUNUSA-N 1 2 421.419 4.067 20 5 HIBDLO O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000436028653 861322696 /nfs/dbraw/zinc/32/26/96/861322696.db2.gz PHPIRSVCNLRCRR-UHFFFAOYSA-N 1 2 423.860 4.269 20 5 HIBDLO O=C(CCOc1ccccc1[N+](=O)[O-])Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000436162413 861463907 /nfs/dbraw/zinc/46/39/07/861463907.db2.gz FKWQDTDRVINAMS-UHFFFAOYSA-N 1 2 406.442 4.202 20 5 HIBDLO COc1cc(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)cc([N+](=O)[O-])c1C ZINC000436164048 861466319 /nfs/dbraw/zinc/46/63/19/861466319.db2.gz JFXMMCKQZPSPIC-UHFFFAOYSA-N 1 2 406.442 4.364 20 5 HIBDLO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000028683535 847447673 /nfs/dbraw/zinc/44/76/73/847447673.db2.gz QIVXOOPDQVQWQI-UONOGXRCSA-N 1 2 420.560 4.403 20 5 HIBDLO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000028683535 847447681 /nfs/dbraw/zinc/44/76/81/847447681.db2.gz QIVXOOPDQVQWQI-UONOGXRCSA-N 1 2 420.560 4.403 20 5 HIBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000032152880 847989359 /nfs/dbraw/zinc/98/93/59/847989359.db2.gz JEXAODJTHORHEW-QGZVFWFLSA-N 1 2 419.466 4.368 20 5 HIBDLO CC[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccccc1OC(F)F ZINC000032245939 847994593 /nfs/dbraw/zinc/99/45/93/847994593.db2.gz MZXTZIXZIXXARO-OAHLLOKOSA-N 1 2 416.384 4.263 20 5 HIBDLO O=[N+]([O-])c1ccc(CCSc2nnc(C[NH+]3CCCC3)n2-c2ccccc2)cc1 ZINC000042113855 848287924 /nfs/dbraw/zinc/28/79/24/848287924.db2.gz BQLGWHWUBGKFNW-UHFFFAOYSA-N 1 2 409.515 4.106 20 5 HIBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC000055102949 849970995 /nfs/dbraw/zinc/97/09/95/849970995.db2.gz WHUJFAGVAHYHEG-ZDUSSCGKSA-N 1 2 403.866 4.160 20 5 HIBDLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000060441924 851101929 /nfs/dbraw/zinc/10/19/29/851101929.db2.gz BEOAHEZNOPLPHB-UHFFFAOYSA-N 1 2 422.485 4.231 20 5 HIBDLO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1ncn(Cc2cccc(F)c2)n1 ZINC000437094417 862284896 /nfs/dbraw/zinc/28/48/96/862284896.db2.gz VOUOGFPAQRKTBT-KRWDZBQOSA-N 1 2 415.494 4.034 20 5 HIBDLO CCc1cc(NCc2ccccc2Cn2cc[nH+]c2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000064905450 852017813 /nfs/dbraw/zinc/01/78/13/852017813.db2.gz JANXFZLNSXBMDF-UHFFFAOYSA-N 1 2 414.469 4.471 20 5 HIBDLO Cc1ccc([C@@H]2CCC[N@@H+]2Cn2nc(-c3cccc([N+](=O)[O-])c3)ccc2=O)cc1C ZINC000140744244 853451047 /nfs/dbraw/zinc/45/10/47/853451047.db2.gz CNMXAAUMLPLUJZ-QFIPXVFZSA-N 1 2 404.470 4.230 20 5 HIBDLO Cc1ccc([C@@H]2CCC[N@H+]2Cn2nc(-c3cccc([N+](=O)[O-])c3)ccc2=O)cc1C ZINC000140744244 853451057 /nfs/dbraw/zinc/45/10/57/853451057.db2.gz CNMXAAUMLPLUJZ-QFIPXVFZSA-N 1 2 404.470 4.230 20 5 HIBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000237203589 853981330 /nfs/dbraw/zinc/98/13/30/853981330.db2.gz YBRLLJGHSXUTJJ-UHFFFAOYSA-N 1 2 417.263 4.046 20 5 HIBDLO COC(=O)c1cc([N+](=O)[O-])c(NCc2cc[nH+]c(N3CCCCC3)c2)cc1Cl ZINC000301655388 854438186 /nfs/dbraw/zinc/43/81/86/854438186.db2.gz HNTLTKAGLDCCEN-UHFFFAOYSA-N 1 2 404.854 4.032 20 5 HIBDLO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CCC[C@@H](Oc4ncccc4F)C3)cs2)c1 ZINC000425974039 856024492 /nfs/dbraw/zinc/02/44/92/856024492.db2.gz BSPMPEPIDMZHAC-QGZVFWFLSA-N 1 2 414.462 4.296 20 5 HIBDLO O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3CCC[C@@H](Oc4ncccc4F)C3)cs2)c1 ZINC000425974039 856024503 /nfs/dbraw/zinc/02/45/03/856024503.db2.gz BSPMPEPIDMZHAC-QGZVFWFLSA-N 1 2 414.462 4.296 20 5 HIBDLO C[C@@H](c1cccc(NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c1)[NH+]1CCOCC1 ZINC000426111216 856115164 /nfs/dbraw/zinc/11/51/64/856115164.db2.gz OETFKUMNFUYVCY-KRWDZBQOSA-N 1 2 424.501 4.185 20 5 HIBDLO CC(F)(F)CC(=O)N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000428184253 857102279 /nfs/dbraw/zinc/10/22/79/857102279.db2.gz OJCDXXQBFZHMHT-UHFFFAOYSA-N 1 2 409.458 4.013 20 5 HIBDLO CCCn1cc[nH+]c1CCCN(C)C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000430489814 858196630 /nfs/dbraw/zinc/19/66/30/858196630.db2.gz CVEUXCFNHUSUAA-UHFFFAOYSA-N 1 2 410.927 4.038 20 5 HIBDLO Cc1c(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)cc(Br)cc1[N+](=O)[O-] ZINC000431184758 858493256 /nfs/dbraw/zinc/49/32/56/858493256.db2.gz VPPAYOLPDCMZSB-UHFFFAOYSA-N 1 2 401.220 4.104 20 5 HIBDLO Cc1c(NC(=O)N(CCn2cc[nH+]c2)Cc2cccc(Cl)c2)cccc1[N+](=O)[O-] ZINC000431438011 858615116 /nfs/dbraw/zinc/61/51/16/858615116.db2.gz FWXXMWQMORLWQS-UHFFFAOYSA-N 1 2 413.865 4.487 20 5 HIBDLO C[C@H]1CC[N@H+](Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC[S@]1=O ZINC000433052409 859501975 /nfs/dbraw/zinc/50/19/75/859501975.db2.gz MFTOKKPDVCBZEM-PGGUUEOZSA-N 1 2 408.907 4.383 20 5 HIBDLO C[C@H]1CC[N@@H+](Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC[S@]1=O ZINC000433052409 859501980 /nfs/dbraw/zinc/50/19/80/859501980.db2.gz MFTOKKPDVCBZEM-PGGUUEOZSA-N 1 2 408.907 4.383 20 5 HIBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)Cc1ccc(F)c(Cl)c1 ZINC000433254552 859594643 /nfs/dbraw/zinc/59/46/43/859594643.db2.gz YEASPPVHYDJQLA-SNVBAGLBSA-N 1 2 400.237 4.500 20 5 HIBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+](C)Cc1ccc(F)c(Cl)c1 ZINC000433254552 859594650 /nfs/dbraw/zinc/59/46/50/859594650.db2.gz YEASPPVHYDJQLA-SNVBAGLBSA-N 1 2 400.237 4.500 20 5 HIBDLO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000434301978 860264842 /nfs/dbraw/zinc/26/48/42/860264842.db2.gz SLGDPGLSIQGEMC-UHFFFAOYSA-N 1 2 422.441 4.139 20 5 HIBDLO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc1 ZINC000434301978 860264853 /nfs/dbraw/zinc/26/48/53/860264853.db2.gz SLGDPGLSIQGEMC-UHFFFAOYSA-N 1 2 422.441 4.139 20 5 HIBDLO Cc1c(NC(=O)NCCCCNc2cccc[nH+]2)cc(Br)cc1[N+](=O)[O-] ZINC000435327869 860739166 /nfs/dbraw/zinc/73/91/66/860739166.db2.gz JDSBTSGMHPRELZ-UHFFFAOYSA-N 1 2 422.283 4.075 20 5 HIBDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@@H](C)C1 ZINC000441261120 866335852 /nfs/dbraw/zinc/33/58/52/866335852.db2.gz NIDMFOQFGUTCKG-KRWDZBQOSA-N 1 2 412.490 4.040 20 5 HIBDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@@H](C)C1 ZINC000441261120 866335876 /nfs/dbraw/zinc/33/58/76/866335876.db2.gz NIDMFOQFGUTCKG-KRWDZBQOSA-N 1 2 412.490 4.040 20 5 HIBDLO COc1cc(C[N@@H+]2CC3(CCCC3)OC(C)(C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000443337457 867909719 /nfs/dbraw/zinc/90/97/19/867909719.db2.gz SZGSSPHXZVLHPH-UHFFFAOYSA-N 1 2 400.422 4.128 20 5 HIBDLO COc1cc(C[N@H+]2CC3(CCCC3)OC(C)(C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000443337457 867909729 /nfs/dbraw/zinc/90/97/29/867909729.db2.gz SZGSSPHXZVLHPH-UHFFFAOYSA-N 1 2 400.422 4.128 20 5 HIBDLO Cc1cccc2nc(C3CC[NH+]([C@@H](C)C(=O)Nc4ccccc4[N+](=O)[O-])CC3)oc21 ZINC000444766275 868992040 /nfs/dbraw/zinc/99/20/40/868992040.db2.gz MYHZEYAECJWDEN-HNNXBMFYSA-N 1 2 408.458 4.251 20 5 HIBDLO O=C(c1cccc2c(=O)c3ccccc3[nH]c12)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000445156699 869247120 /nfs/dbraw/zinc/24/71/20/869247120.db2.gz GGHHRQQZLDWAJR-UHFFFAOYSA-N 1 2 414.509 4.210 20 5 HIBDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)c3c(C)cc(Cl)cc3[N+](=O)[O-])CC2)c1 ZINC000446089309 870036006 /nfs/dbraw/zinc/03/60/06/870036006.db2.gz DPRJUNGPTZABLT-OAHLLOKOSA-N 1 2 417.893 4.084 20 5 HIBDLO Cc1cn2c([nH+]1)[C@@H](CNc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-])CCC2 ZINC000447680052 871611042 /nfs/dbraw/zinc/61/10/42/871611042.db2.gz QDXSIGKFHFNVBX-SNVBAGLBSA-N 1 2 405.327 4.138 20 5 HIBDLO O=C(c1cc([N+](=O)[O-])ccc1Sc1ccccc1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000447687361 871619766 /nfs/dbraw/zinc/61/97/66/871619766.db2.gz IIBOIMCEHJZDLM-GOSISDBHSA-N 1 2 421.478 4.435 20 5 HIBDLO CSCC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC(C)C)c1nnc2ccccn21 ZINC000460361838 872993222 /nfs/dbraw/zinc/99/32/22/872993222.db2.gz IOWPBKGYUGZEJM-KRWDZBQOSA-N 1 2 415.519 4.009 20 5 HIBDLO O=C(c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1)N1CCn2c[nH+]cc2C1 ZINC000461195046 874193857 /nfs/dbraw/zinc/19/38/57/874193857.db2.gz MJHWCJKVKGFEMT-UHFFFAOYSA-N 1 2 414.874 4.252 20 5 HIBDLO Cc1ccc(CC[N@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])Cc2ccco2)cc1 ZINC000461769564 874900800 /nfs/dbraw/zinc/90/08/00/874900800.db2.gz SSJPGNKTQZMXDE-UHFFFAOYSA-N 1 2 407.470 4.488 20 5 HIBDLO Cc1ccc(CC[N@@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])Cc2ccco2)cc1 ZINC000461769564 874900812 /nfs/dbraw/zinc/90/08/12/874900812.db2.gz SSJPGNKTQZMXDE-UHFFFAOYSA-N 1 2 407.470 4.488 20 5 HIBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccc(Cl)s3)CC2)cc1OC(F)F ZINC000462117013 875220756 /nfs/dbraw/zinc/22/07/56/875220756.db2.gz AOBBNSLBRLPKEC-UHFFFAOYSA-N 1 2 403.838 4.233 20 5 HIBDLO Cc1ccc([C@H]2CCC[C@@H]2N(C)C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1 ZINC000464045378 877186143 /nfs/dbraw/zinc/18/61/43/877186143.db2.gz NMJSCLWWBCSSGM-UXHICEINSA-N 1 2 404.470 4.497 20 5 HIBDLO C[C@H](C(=O)Nc1cccc(Cl)c1)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464776184 878019356 /nfs/dbraw/zinc/01/93/56/878019356.db2.gz KQNBMQFNMWHBSJ-CQSZACIVSA-N 1 2 403.866 4.119 20 5 HIBDLO O=C(C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)Nc1ccccc1C(F)(F)F ZINC000464778363 878020814 /nfs/dbraw/zinc/02/08/14/878020814.db2.gz NTTPXCNCZVWQJK-UHFFFAOYSA-N 1 2 423.391 4.096 20 5 HIBDLO O=C(NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000466990816 880803761 /nfs/dbraw/zinc/80/37/61/880803761.db2.gz AFYXZCQUGISCCK-QGZVFWFLSA-N 1 2 409.820 4.093 20 5 HIBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1CCC(Cc2ccc(F)c(F)c2)CC1 ZINC000469460396 883672359 /nfs/dbraw/zinc/67/23/59/883672359.db2.gz GOBHPOUDQSIWDA-UHFFFAOYSA-N 1 2 403.429 4.075 20 5 HIBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N(Cc1cccs1)CC(F)(F)F ZINC000470788074 885264239 /nfs/dbraw/zinc/26/42/39/885264239.db2.gz UWZANZMZAKYMNJ-UHFFFAOYSA-N 1 2 410.377 4.047 20 5 HIBDLO COc1ccc(NC(=O)C[N@H+]2CC=C(c3c(C)[nH]c4ccccc43)CC2)c([N+](=O)[O-])c1 ZINC000471158417 885711217 /nfs/dbraw/zinc/71/12/17/885711217.db2.gz YRZKFDUMALGLGS-UHFFFAOYSA-N 1 2 420.469 4.121 20 5 HIBDLO COc1ccc(NC(=O)C[N@@H+]2CC=C(c3c(C)[nH]c4ccccc43)CC2)c([N+](=O)[O-])c1 ZINC000471158417 885711227 /nfs/dbraw/zinc/71/12/27/885711227.db2.gz YRZKFDUMALGLGS-UHFFFAOYSA-N 1 2 420.469 4.121 20 5 HIBDLO CC[N@@H+]1CC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000471928948 886719543 /nfs/dbraw/zinc/71/95/43/886719543.db2.gz TWTUPJBOLXZHMT-HKUYNNGSSA-N 1 2 422.407 4.278 20 5 HIBDLO CC[N@H+]1CC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000471928948 886719555 /nfs/dbraw/zinc/71/95/55/886719555.db2.gz TWTUPJBOLXZHMT-HKUYNNGSSA-N 1 2 422.407 4.278 20 5 HIBDLO COc1ccc([C@H]2CC[N@@H+]([C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C2)cc1 ZINC000504495173 913285748 /nfs/dbraw/zinc/28/57/48/913285748.db2.gz YMCVKYCBKTXOEO-HIFRSBDPSA-N 1 2 403.866 4.073 20 5 HIBDLO COc1ccc([C@H]2CC[N@H+]([C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C2)cc1 ZINC000504495173 913285763 /nfs/dbraw/zinc/28/57/63/913285763.db2.gz YMCVKYCBKTXOEO-HIFRSBDPSA-N 1 2 403.866 4.073 20 5 HIBDLO C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccc(-c2cccnc2)cc1 ZINC000474740828 889595998 /nfs/dbraw/zinc/59/59/98/889595998.db2.gz UVUFLTFVWDUTPM-INIZCTEOSA-N 1 2 413.437 4.334 20 5 HIBDLO O=C1CCC[C@@H]1[C@H]1COCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000475126470 889988212 /nfs/dbraw/zinc/98/82/12/889988212.db2.gz AXAXJZAPNPYZHE-SJLPKXTDSA-N 1 2 404.850 4.078 20 5 HIBDLO O=C1CCC[C@@H]1[C@H]1COCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000475126470 889988224 /nfs/dbraw/zinc/98/82/24/889988224.db2.gz AXAXJZAPNPYZHE-SJLPKXTDSA-N 1 2 404.850 4.078 20 5 HIBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000475641219 890584167 /nfs/dbraw/zinc/58/41/67/890584167.db2.gz SZNBNWHOAABPKC-PZJWPPBQSA-N 1 2 405.458 4.458 20 5 HIBDLO O=[N+]([O-])c1ccc(NCC[NH2+][C@@H](c2nc(-c3ccccc3)no2)c2ccccc2)cc1 ZINC000475757207 890704734 /nfs/dbraw/zinc/70/47/34/890704734.db2.gz QYELWRXLEGFHTA-OAQYLSRUSA-N 1 2 415.453 4.436 20 5 HIBDLO O=C(NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000504759031 913495677 /nfs/dbraw/zinc/49/56/77/913495677.db2.gz JCNKSJSAGFWBPQ-UHFFFAOYSA-N 1 2 412.449 4.437 20 5 HIBDLO O=C(Nc1ccc(Cl)cc1Br)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000478923040 894203179 /nfs/dbraw/zinc/20/31/79/894203179.db2.gz CXUNMBDBVZPHRB-UHFFFAOYSA-N 1 2 421.638 4.449 20 5 HIBDLO CCC[C@H]([NH2+][C@@H](C(N)=O)c1cccc(Br)c1)c1cccc([N+](=O)[O-])c1 ZINC000479475093 894798109 /nfs/dbraw/zinc/79/81/09/894798109.db2.gz LAWRZPBXHQEDJS-DLBZAZTESA-N 1 2 406.280 4.015 20 5 HIBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC(c2ccc(Cl)cc2)CC1 ZINC000479850364 895182214 /nfs/dbraw/zinc/18/22/14/895182214.db2.gz HOQCHMBZYIOTFG-UHFFFAOYSA-N 1 2 410.861 4.454 20 5 HIBDLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000481449909 896846281 /nfs/dbraw/zinc/84/62/81/896846281.db2.gz UQTIPGITCQCTBE-CYBMUJFWSA-N 1 2 400.822 4.056 20 5 HIBDLO O=C(N[C@H]1C[C@@H]1c1ccccc1C(F)(F)F)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000505483983 914165437 /nfs/dbraw/zinc/16/54/37/914165437.db2.gz NYXQUZAFYVWHNR-ZBFHGGJFSA-N 1 2 416.359 4.085 20 5 HIBDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000483237975 898881096 /nfs/dbraw/zinc/88/10/96/898881096.db2.gz CFZNDCFAAWDTRT-KRWDZBQOSA-N 1 2 419.485 4.167 20 5 HIBDLO C[C@@H]1CCCN(c2ccc(C(=O)Nc3cccc(-n4cc[nH+]c4)c3)cc2[N+](=O)[O-])C1 ZINC000485223792 900509797 /nfs/dbraw/zinc/50/97/97/900509797.db2.gz OEJXFRAPVNYUQE-MRXNPFEDSA-N 1 2 405.458 4.269 20 5 HIBDLO C[C@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1nc(C(F)(F)F)cs1 ZINC000490044660 903739672 /nfs/dbraw/zinc/73/96/72/903739672.db2.gz MKZYFYSFJMZQQI-ZETCQYMHSA-N 1 2 408.789 4.013 20 5 HIBDLO CCOc1ccc([C@H]2CCCN2C(=O)C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000490145985 903791229 /nfs/dbraw/zinc/79/12/29/903791229.db2.gz NMHDRDPIANFNNH-HSZRJFAPSA-N 1 2 423.513 4.322 20 5 HIBDLO CCOc1ccc([C@H]2CCCN2C(=O)C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000490145985 903791234 /nfs/dbraw/zinc/79/12/34/903791234.db2.gz NMHDRDPIANFNNH-HSZRJFAPSA-N 1 2 423.513 4.322 20 5 HIBDLO COc1cc(C[N@@H+]2CCCC[C@H]2c2cccn2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000490354912 903947744 /nfs/dbraw/zinc/94/77/44/903947744.db2.gz NHENKOCHRKJARJ-INIZCTEOSA-N 1 2 409.433 4.313 20 5 HIBDLO COc1cc(C[N@H+]2CCCC[C@H]2c2cccn2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000490354912 903947761 /nfs/dbraw/zinc/94/77/61/903947761.db2.gz NHENKOCHRKJARJ-INIZCTEOSA-N 1 2 409.433 4.313 20 5 HIBDLO C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000490590418 904121704 /nfs/dbraw/zinc/12/17/04/904121704.db2.gz VTLIJMUYMDKWOT-JTSKRJEESA-N 1 2 419.485 4.127 20 5 HIBDLO Cc1ccc(NC(=O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c(Br)c1 ZINC000490793773 904240500 /nfs/dbraw/zinc/24/05/00/904240500.db2.gz MDAKJQWTVSOQCC-UHFFFAOYSA-N 1 2 418.291 4.269 20 5 HIBDLO Cc1ccc(NC(=O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c(Br)c1 ZINC000490793773 904240524 /nfs/dbraw/zinc/24/05/24/904240524.db2.gz MDAKJQWTVSOQCC-UHFFFAOYSA-N 1 2 418.291 4.269 20 5 HIBDLO C[N@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)Cc1ccccc1N1CCOCC1 ZINC000506123786 914812712 /nfs/dbraw/zinc/81/27/12/914812712.db2.gz CSXUTTXHBIWBMY-UHFFFAOYSA-N 1 2 424.526 4.187 20 5 HIBDLO C[N@@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)Cc1ccccc1N1CCOCC1 ZINC000506123786 914812715 /nfs/dbraw/zinc/81/27/15/914812715.db2.gz CSXUTTXHBIWBMY-UHFFFAOYSA-N 1 2 424.526 4.187 20 5 HIBDLO CCOc1cc(C[NH2+][C@H](C(=O)Nc2ccccc2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000492657337 904883736 /nfs/dbraw/zinc/88/37/36/904883736.db2.gz RYIYVBPNRZRXHQ-QFIPXVFZSA-N 1 2 405.454 4.463 20 5 HIBDLO O=C(CCc1[nH]cc[nH+]1)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 ZINC000498389902 907875257 /nfs/dbraw/zinc/87/52/57/907875257.db2.gz RNGBPMJAKOTTSS-UHFFFAOYSA-N 1 2 418.812 4.152 20 5 HIBDLO COC[C@@H]1CCC[N@@H+]([C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C1 ZINC000499087049 908449717 /nfs/dbraw/zinc/44/97/17/908449717.db2.gz QFRRXDAUPBYRCO-QRWLVFNGSA-N 1 2 417.893 4.286 20 5 HIBDLO COC[C@@H]1CCC[N@H+]([C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C1 ZINC000499087049 908449724 /nfs/dbraw/zinc/44/97/24/908449724.db2.gz QFRRXDAUPBYRCO-QRWLVFNGSA-N 1 2 417.893 4.286 20 5 HIBDLO O=[N+]([O-])c1ccc2sc(-c3nc([C@@H]4C[N@H+](Cc5ccccc5)CCO4)no3)cc2c1 ZINC000500797588 910088480 /nfs/dbraw/zinc/08/84/80/910088480.db2.gz CIMICGXNGBTXOK-KRWDZBQOSA-N 1 2 422.466 4.433 20 5 HIBDLO O=[N+]([O-])c1ccc2sc(-c3nc([C@@H]4C[N@@H+](Cc5ccccc5)CCO4)no3)cc2c1 ZINC000500797588 910088500 /nfs/dbraw/zinc/08/85/00/910088500.db2.gz CIMICGXNGBTXOK-KRWDZBQOSA-N 1 2 422.466 4.433 20 5 HIBDLO O=C(CC[N@@H+]1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000501050373 910260931 /nfs/dbraw/zinc/26/09/31/910260931.db2.gz AUNLDGVRFWHZFU-SFHVURJKSA-N 1 2 423.391 4.016 20 5 HIBDLO O=C(CC[N@H+]1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000501050373 910260943 /nfs/dbraw/zinc/26/09/43/910260943.db2.gz AUNLDGVRFWHZFU-SFHVURJKSA-N 1 2 423.391 4.016 20 5 HIBDLO O=C(CC[N@@H+]1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000501050372 910261760 /nfs/dbraw/zinc/26/17/60/910261760.db2.gz AUNLDGVRFWHZFU-GOSISDBHSA-N 1 2 423.391 4.016 20 5 HIBDLO O=C(CC[N@H+]1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000501050372 910261772 /nfs/dbraw/zinc/26/17/72/910261772.db2.gz AUNLDGVRFWHZFU-GOSISDBHSA-N 1 2 423.391 4.016 20 5 HIBDLO COc1c(Cl)cc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1Cl ZINC000506289161 914886487 /nfs/dbraw/zinc/88/64/87/914886487.db2.gz LVSVHMIQYKXOSS-UHFFFAOYSA-N 1 2 407.213 4.348 20 5 HIBDLO Cc1cc(CN2CC[NH+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)CC2)on1 ZINC000506297308 914891325 /nfs/dbraw/zinc/89/13/25/914891325.db2.gz IOSYIKHQEDJFNY-UHFFFAOYSA-N 1 2 416.865 4.122 20 5 HIBDLO O=[N+]([O-])c1cc(CN2CC[NH+](Cc3cccnc3)CC2)ccc1Oc1ccc(F)cc1 ZINC000508670409 917434381 /nfs/dbraw/zinc/43/43/81/917434381.db2.gz LTCNIYBKRPJMAQ-UHFFFAOYSA-N 1 2 422.460 4.239 20 5 HIBDLO CCc1ccc([C@@H]([NH2+]Cc2ccccc2Cn2cncn2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000508739397 917498772 /nfs/dbraw/zinc/49/87/72/917498772.db2.gz KAFQWMYYSGPTKB-QHCPKHFHSA-N 1 2 417.469 4.269 20 5 HIBDLO CC1CC[NH+](Cc2csc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)n2)CC1 ZINC000509237566 917933680 /nfs/dbraw/zinc/93/36/80/917933680.db2.gz WRIVGOYXUNJLLL-UHFFFAOYSA-N 1 2 400.460 4.282 20 5 HIBDLO Cc1ccc(NC(=O)NC[C@H]2CCC[N@H+](Cc3c(F)cc([N+](=O)[O-])cc3F)C2)cc1 ZINC000509368944 918033384 /nfs/dbraw/zinc/03/33/84/918033384.db2.gz BTEBOXFDNXFAPX-OAHLLOKOSA-N 1 2 418.444 4.215 20 5 HIBDLO Cc1ccc(NC(=O)NC[C@H]2CCC[N@@H+](Cc3c(F)cc([N+](=O)[O-])cc3F)C2)cc1 ZINC000509368944 918033392 /nfs/dbraw/zinc/03/33/92/918033392.db2.gz BTEBOXFDNXFAPX-OAHLLOKOSA-N 1 2 418.444 4.215 20 5 HIBDLO O=C(c1ccsc1)N1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000510212068 918759163 /nfs/dbraw/zinc/75/91/63/918759163.db2.gz MFFTWAKSGCMORU-UHFFFAOYSA-N 1 2 413.524 4.343 20 5 HIBDLO Cc1ccccc1NC(=O)Cc1nc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])cs1 ZINC000511097814 919701481 /nfs/dbraw/zinc/70/14/81/919701481.db2.gz XVSLUVOCGRYJAU-UHFFFAOYSA-N 1 2 424.526 4.215 20 5 HIBDLO Cc1ccccc1NC(=O)Cc1nc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])cs1 ZINC000511097814 919701491 /nfs/dbraw/zinc/70/14/91/919701491.db2.gz XVSLUVOCGRYJAU-UHFFFAOYSA-N 1 2 424.526 4.215 20 5 HIBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000511227239 919833080 /nfs/dbraw/zinc/83/30/80/919833080.db2.gz ACCJDOUNLJKRHH-SFHVURJKSA-N 1 2 405.857 4.263 20 5 HIBDLO Cc1c(Br)cc(C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)cc1[N+](=O)[O-] ZINC000511483101 920091338 /nfs/dbraw/zinc/09/13/38/920091338.db2.gz LFXURBAGCFRNNE-UHFFFAOYSA-N 1 2 401.220 4.308 20 5 HIBDLO Cc1ccc(NC(=O)c2ccc(N[C@H]3CCN(c4cccc[nH+]4)C3)c([N+](=O)[O-])c2)cc1 ZINC000511602238 920248038 /nfs/dbraw/zinc/24/80/38/920248038.db2.gz AQPJXZNGIAAPHI-IBGZPJMESA-N 1 2 417.469 4.241 20 5 HIBDLO O=C(Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000514233638 922571269 /nfs/dbraw/zinc/57/12/69/922571269.db2.gz CNCPBOLQDMTYGF-UHFFFAOYSA-N 1 2 408.748 4.288 20 5 HIBDLO O=C(N[C@@H](c1ccc(Cl)cc1)C(F)(F)F)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000524965490 929930496 /nfs/dbraw/zinc/93/04/96/929930496.db2.gz GSMAKWLMABTLSV-INIZCTEOSA-N 1 2 424.766 4.467 20 5 HIBDLO O=C(Nc1nc2ccccc2n1C1CCCC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000525369554 930200931 /nfs/dbraw/zinc/20/09/31/930200931.db2.gz TVFNUPFUTGMSJE-UHFFFAOYSA-N 1 2 416.441 4.498 20 5 HIBDLO CC[N@@H+]1CC[C@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000530466448 930720425 /nfs/dbraw/zinc/72/04/25/930720425.db2.gz ADKPPEQDDBZNNG-LPHOPBHVSA-N 1 2 422.407 4.278 20 5 HIBDLO CC[N@H+]1CC[C@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000530466448 930720431 /nfs/dbraw/zinc/72/04/31/930720431.db2.gz ADKPPEQDDBZNNG-LPHOPBHVSA-N 1 2 422.407 4.278 20 5 HIBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000532694779 931591038 /nfs/dbraw/zinc/59/10/38/931591038.db2.gz PFGZZTLUDYCMNV-CQSZACIVSA-N 1 2 413.865 4.181 20 5 HIBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@H](COc2ccccc2Cl)C1 ZINC000532826961 931643778 /nfs/dbraw/zinc/64/37/78/931643778.db2.gz BUVCELUWIVCWRV-INIZCTEOSA-N 1 2 417.893 4.286 20 5 HIBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@H](COc2ccccc2Cl)C1 ZINC000532826961 931643784 /nfs/dbraw/zinc/64/37/84/931643784.db2.gz BUVCELUWIVCWRV-INIZCTEOSA-N 1 2 417.893 4.286 20 5 HIBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000533032926 931746757 /nfs/dbraw/zinc/74/67/57/931746757.db2.gz NWTPLBPTLAVKRU-UHFFFAOYSA-N 1 2 408.433 4.251 20 5 HIBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000533032926 931746760 /nfs/dbraw/zinc/74/67/60/931746760.db2.gz NWTPLBPTLAVKRU-UHFFFAOYSA-N 1 2 408.433 4.251 20 5 HIBDLO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCO[C@@H](c4ccc(F)c(F)c4)C3)o2)c1 ZINC000533412947 931861015 /nfs/dbraw/zinc/86/10/15/931861015.db2.gz MZUSPSVEMRJZQF-HXUWFJFHSA-N 1 2 415.396 4.144 20 5 HIBDLO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCO[C@@H](c4ccc(F)c(F)c4)C3)o2)c1 ZINC000533412947 931861017 /nfs/dbraw/zinc/86/10/17/931861017.db2.gz MZUSPSVEMRJZQF-HXUWFJFHSA-N 1 2 415.396 4.144 20 5 HIBDLO C[C@@H]1C[C@H](c2ccccc2)C[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000533436516 931868798 /nfs/dbraw/zinc/86/87/98/931868798.db2.gz LELHLUHUKRUHOD-HIFRSBDPSA-N 1 2 418.291 4.174 20 5 HIBDLO C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000533436516 931868802 /nfs/dbraw/zinc/86/88/02/931868802.db2.gz LELHLUHUKRUHOD-HIFRSBDPSA-N 1 2 418.291 4.174 20 5 HIBDLO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000534391545 932415849 /nfs/dbraw/zinc/41/58/49/932415849.db2.gz QHYPCMBCXVHHIB-AEFFLSMTSA-N 1 2 423.897 4.284 20 5 HIBDLO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000534391545 932415858 /nfs/dbraw/zinc/41/58/58/932415858.db2.gz QHYPCMBCXVHHIB-AEFFLSMTSA-N 1 2 423.897 4.284 20 5 HIBDLO Cc1nc(C(C)C)sc1[C@@H](C)[N@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000534476354 932506171 /nfs/dbraw/zinc/50/61/71/932506171.db2.gz NNMRCOYNCUCDAF-CQSZACIVSA-N 1 2 402.520 4.065 20 5 HIBDLO Cc1nc(C(C)C)sc1[C@@H](C)[N@@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000534476354 932506184 /nfs/dbraw/zinc/50/61/84/932506184.db2.gz NNMRCOYNCUCDAF-CQSZACIVSA-N 1 2 402.520 4.065 20 5 HIBDLO CC(C)[N@@H+]1CC[C@@H](NC(=O)c2ccc(F)cc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000537494467 933796028 /nfs/dbraw/zinc/79/60/28/933796028.db2.gz ATUVWJNZXLGDDQ-MJGOQNOKSA-N 1 2 423.847 4.480 20 5 HIBDLO CC(C)[N@H+]1CC[C@@H](NC(=O)c2ccc(F)cc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000537494467 933796039 /nfs/dbraw/zinc/79/60/39/933796039.db2.gz ATUVWJNZXLGDDQ-MJGOQNOKSA-N 1 2 423.847 4.480 20 5 HIBDLO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000539689377 938902181 /nfs/dbraw/zinc/90/21/81/938902181.db2.gz JIKLBILLBPSWQO-INIZCTEOSA-N 1 2 417.469 4.339 20 5 HIBDLO CC[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540228656 939149745 /nfs/dbraw/zinc/14/97/45/939149745.db2.gz QJNQYPJKZVDEMF-ZWKOTPCHSA-N 1 2 409.820 4.092 20 5 HIBDLO CC[N@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540228656 939149748 /nfs/dbraw/zinc/14/97/48/939149748.db2.gz QJNQYPJKZVDEMF-ZWKOTPCHSA-N 1 2 409.820 4.092 20 5 HIBDLO COc1cccc([C@@H]2C[C@H](C)C[N@@H+]2CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000542255259 939774007 /nfs/dbraw/zinc/77/40/07/939774007.db2.gz QSKYZLWSLABHOA-DJJJIMSYSA-N 1 2 403.866 4.278 20 5 HIBDLO COc1cccc([C@@H]2C[C@H](C)C[N@H+]2CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000542255259 939774012 /nfs/dbraw/zinc/77/40/12/939774012.db2.gz QSKYZLWSLABHOA-DJJJIMSYSA-N 1 2 403.866 4.278 20 5 HIBDLO Cc1csc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)n1 ZINC000542581530 939846071 /nfs/dbraw/zinc/84/60/71/939846071.db2.gz NUZPHQSOSLCJKS-NWDGAFQWSA-N 1 2 417.516 4.161 20 5 HIBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@H](C)c1nc(C(C)(C)C)cs1 ZINC000542589039 939846832 /nfs/dbraw/zinc/84/68/32/939846832.db2.gz UDADBSVKMUSXIT-NWDGAFQWSA-N 1 2 406.508 4.035 20 5 HIBDLO CCc1ccc([C@H](Nc2ccc(N3CCOCC3)c[nH+]2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000543423378 940060103 /nfs/dbraw/zinc/06/01/03/940060103.db2.gz SYDGRXGIIZORCP-JOCHJYFZSA-N 1 2 408.458 4.183 20 5 HIBDLO CC[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C)c1nc(C(F)(F)F)cs1 ZINC000544455939 940438663 /nfs/dbraw/zinc/43/86/63/940438663.db2.gz ZPGWJTYOQGZUDV-LLVKDONJSA-N 1 2 402.398 4.058 20 5 HIBDLO O=C(c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])N1CC(n2cc[nH+]c2)C1 ZINC000545939737 940662457 /nfs/dbraw/zinc/66/24/57/940662457.db2.gz WQCBQFWHMZHAOS-UHFFFAOYSA-N 1 2 414.874 4.293 20 5 HIBDLO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)N[C@H](C)c3cccc([N+](=O)[O-])c3)c2C1 ZINC000546091402 940698053 /nfs/dbraw/zinc/69/80/53/940698053.db2.gz YFMJWUNXXZCTNO-OAHLLOKOSA-N 1 2 404.470 4.012 20 5 HIBDLO CC[N@H+]1CCc2nc3ccccc3c(C(=O)N[C@H](C)c3cccc([N+](=O)[O-])c3)c2C1 ZINC000546091402 940698060 /nfs/dbraw/zinc/69/80/60/940698060.db2.gz YFMJWUNXXZCTNO-OAHLLOKOSA-N 1 2 404.470 4.012 20 5 HIBDLO CC(C)(C(=O)Nc1nc(C[NH+]2CCCCC2)cs1)c1ccc([N+](=O)[O-])cc1F ZINC000546582043 940857614 /nfs/dbraw/zinc/85/76/14/940857614.db2.gz SJGIVECLLFSASU-UHFFFAOYSA-N 1 2 406.483 4.093 20 5 HIBDLO Cc1c(NC(=O)[C@H](C)Nc2cccc3c2CN(c2cccc[nH+]2)C3)cccc1[N+](=O)[O-] ZINC000550067965 941278533 /nfs/dbraw/zinc/27/85/33/941278533.db2.gz DZHUCQNXOHBCEN-INIZCTEOSA-N 1 2 417.469 4.258 20 5 HIBDLO C[C@H](C[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)Oc1cccc(Cl)c1 ZINC000552276009 941620442 /nfs/dbraw/zinc/62/04/42/941620442.db2.gz HWUFEFDSUGDSTI-KUHUBIRLSA-N 1 2 400.866 4.128 20 5 HIBDLO C[C@H](C[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)Oc1ccccc1Cl ZINC000556885886 942951152 /nfs/dbraw/zinc/95/11/52/942951152.db2.gz IWMJARQGXOSHSY-AUUYWEPGSA-N 1 2 400.866 4.128 20 5 HIBDLO Cn1cc([C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)c2ccc(F)cc2)cn1 ZINC000559156084 943854967 /nfs/dbraw/zinc/85/49/67/943854967.db2.gz ZVSFMEPFYRWTNA-SFHVURJKSA-N 1 2 408.355 4.365 20 5 HIBDLO COc1cc(C[N@@H+]2C[C@@]3(CCCO3)[C@@H]2C2CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000560627281 944279304 /nfs/dbraw/zinc/27/93/04/944279304.db2.gz FEZOSWOBFACFQN-ZEQRLZLVSA-N 1 2 424.497 4.326 20 5 HIBDLO COc1cc(C[N@H+]2C[C@@]3(CCCO3)[C@@H]2C2CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000560627281 944279313 /nfs/dbraw/zinc/27/93/13/944279313.db2.gz FEZOSWOBFACFQN-ZEQRLZLVSA-N 1 2 424.497 4.326 20 5 HIBDLO CC(C)C[C@H]1C[N@H+](Cc2ccc(Cl)cc2)CCN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000561943705 944869076 /nfs/dbraw/zinc/86/90/76/944869076.db2.gz DRPCYIZZLGZJHY-IBGZPJMESA-N 1 2 416.909 4.016 20 5 HIBDLO CC(C)C[C@H]1C[N@@H+](Cc2ccc(Cl)cc2)CCN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000561943705 944869081 /nfs/dbraw/zinc/86/90/81/944869081.db2.gz DRPCYIZZLGZJHY-IBGZPJMESA-N 1 2 416.909 4.016 20 5 HIBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1CCC(c2noc3cc(F)ccc32)CC1 ZINC000564393973 945552939 /nfs/dbraw/zinc/55/29/39/945552939.db2.gz SAZPAYYZCHCWQZ-UHFFFAOYSA-N 1 2 412.421 4.002 20 5 HIBDLO O=C(Nc1cccc(Cl)c1OCC(F)F)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000567788708 946408844 /nfs/dbraw/zinc/40/88/44/946408844.db2.gz PSSMVHBBIAGURA-UHFFFAOYSA-N 1 2 422.775 4.330 20 5 HIBDLO C[C@@H]1CN(c2cccc(Cl)c2)CC[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000573054536 948073181 /nfs/dbraw/zinc/07/31/81/948073181.db2.gz RVSPOBMGOBHQSY-CQSZACIVSA-N 1 2 413.865 4.009 20 5 HIBDLO C[C@@H]1CN(c2cccc(Cl)c2)CC[N@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000573054536 948073190 /nfs/dbraw/zinc/07/31/90/948073190.db2.gz RVSPOBMGOBHQSY-CQSZACIVSA-N 1 2 413.865 4.009 20 5 HIBDLO Cc1noc(C(C)(C)[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)n1 ZINC000574657923 948496813 /nfs/dbraw/zinc/49/68/13/948496813.db2.gz KRJNJJOSKIWHBH-UHFFFAOYSA-N 1 2 418.457 4.164 20 5 HIBDLO Cc1ccsc1C[N@H+](C)CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000014067857 845922047 /nfs/dbraw/zinc/92/20/47/845922047.db2.gz NLCDQAXZDGESFI-UHFFFAOYSA-N 1 2 402.501 4.159 20 5 HIBDLO Cc1ccsc1C[N@@H+](C)CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000014067857 845922054 /nfs/dbraw/zinc/92/20/54/845922054.db2.gz NLCDQAXZDGESFI-UHFFFAOYSA-N 1 2 402.501 4.159 20 5 HIBDLO C[N@@H+]1CCc2nc(NC(=O)c3ccc(Nc4ccccc4)c([N+](=O)[O-])c3)sc2C1 ZINC000023608631 846729397 /nfs/dbraw/zinc/72/93/97/846729397.db2.gz ABSSWJJVCAIJSS-UHFFFAOYSA-N 1 2 409.471 4.035 20 5 HIBDLO C[N@H+]1CCc2nc(NC(=O)c3ccc(Nc4ccccc4)c([N+](=O)[O-])c3)sc2C1 ZINC000023608631 846729408 /nfs/dbraw/zinc/72/94/08/846729408.db2.gz ABSSWJJVCAIJSS-UHFFFAOYSA-N 1 2 409.471 4.035 20 5 HIBDLO O=C(C[NH+]1CCC(CCc2ccc(O)cc2)CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000026113583 847087800 /nfs/dbraw/zinc/08/78/00/847087800.db2.gz WUYZTDKHAHUJMA-UHFFFAOYSA-N 1 2 417.893 4.237 20 5 HIBDLO C[C@@H](c1nnc(SCc2ccc([N+](=O)[O-])cc2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000029737855 847611375 /nfs/dbraw/zinc/61/13/75/847611375.db2.gz FQXOIZJRBHPJJS-ZDUSSCGKSA-N 1 2 401.467 4.230 20 5 HIBDLO O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032056016 847982911 /nfs/dbraw/zinc/98/29/11/847982911.db2.gz RVOUVNDIOPFIQL-UHFFFAOYSA-N 1 2 420.425 4.464 20 5 HIBDLO CCOc1ccc(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)cc1[N+](=O)[O-] ZINC000044568330 848571051 /nfs/dbraw/zinc/57/10/51/848571051.db2.gz VDFMCTCBFOMMRC-UHFFFAOYSA-N 1 2 406.442 4.446 20 5 HIBDLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000045849829 848740264 /nfs/dbraw/zinc/74/02/64/848740264.db2.gz CRMCXLIOXVTXQI-UHFFFAOYSA-N 1 2 417.469 4.264 20 5 HIBDLO O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000054224340 849828940 /nfs/dbraw/zinc/82/89/40/849828940.db2.gz KFMGZAWGQMCECL-UHFFFAOYSA-N 1 2 412.424 4.118 20 5 HIBDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)CSc3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000054277853 849838966 /nfs/dbraw/zinc/83/89/66/849838966.db2.gz WMAYFVOHOIYDJH-ZDUSSCGKSA-N 1 2 406.533 4.014 20 5 HIBDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)CSc3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000054277853 849838968 /nfs/dbraw/zinc/83/89/68/849838968.db2.gz WMAYFVOHOIYDJH-ZDUSSCGKSA-N 1 2 406.533 4.014 20 5 HIBDLO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000071895398 852426648 /nfs/dbraw/zinc/42/66/48/852426648.db2.gz RRZINBLCJIEMTJ-UFUQCMIWSA-N 1 2 417.868 4.354 20 5 HIBDLO CCCOc1ccc([C@H](C)NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1OC ZINC000107903469 852807950 /nfs/dbraw/zinc/80/79/50/852807950.db2.gz UPOUXPOOHWLOGM-HNNXBMFYSA-N 1 2 424.457 4.069 20 5 HIBDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000108636332 852867448 /nfs/dbraw/zinc/86/74/48/852867448.db2.gz YTDSFAWZPZJRBR-ZIAGYGMSSA-N 1 2 403.866 4.110 20 5 HIBDLO CC(NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)(c1ccccc1)c1ccccc1 ZINC000110973101 853177500 /nfs/dbraw/zinc/17/75/00/853177500.db2.gz FEFDIYKFTUXZBY-UHFFFAOYSA-N 1 2 412.449 4.474 20 5 HIBDLO CCCC(=O)Nc1cccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1C ZINC000142877779 853503299 /nfs/dbraw/zinc/50/32/99/853503299.db2.gz JPVXABXOZVCOEN-UHFFFAOYSA-N 1 2 407.430 4.080 20 5 HIBDLO C[C@@H]([NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)c1nnc2n1CCC2 ZINC000237407606 854026013 /nfs/dbraw/zinc/02/60/13/854026013.db2.gz MKQXQGZYTXLBCX-CYBMUJFWSA-N 1 2 413.865 4.429 20 5 HIBDLO O=[N+]([O-])c1cnc(NCc2cc[nH+]c(N3CCCCCC3)c2)c(Br)c1 ZINC000301523846 854412245 /nfs/dbraw/zinc/41/22/45/854412245.db2.gz IACUQPFEHFYOTP-UHFFFAOYSA-N 1 2 406.284 4.140 20 5 HIBDLO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410267716 855892014 /nfs/dbraw/zinc/89/20/14/855892014.db2.gz SAANCTMFEAEMIS-CVEARBPZSA-N 1 2 414.531 4.014 20 5 HIBDLO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3cc(Br)c(Cl)s3)CC2)n1 ZINC000425972267 856024659 /nfs/dbraw/zinc/02/46/59/856024659.db2.gz XLWIWPCOLHORHV-UHFFFAOYSA-N 1 2 405.705 4.106 20 5 HIBDLO CN(Cc1cn2c([nH+]1)CCCC2)c1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000428681472 857295686 /nfs/dbraw/zinc/29/56/86/857295686.db2.gz GOSYTRWRVMUMJW-UHFFFAOYSA-N 1 2 416.279 4.075 20 5 HIBDLO C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000428743259 857315414 /nfs/dbraw/zinc/31/54/14/857315414.db2.gz JNNRNGVFMBXLMM-MZKGEVEHSA-N 1 2 422.457 4.022 20 5 HIBDLO C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@H+]1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000428743259 857315426 /nfs/dbraw/zinc/31/54/26/857315426.db2.gz JNNRNGVFMBXLMM-MZKGEVEHSA-N 1 2 422.457 4.022 20 5 HIBDLO Cc1ccc([C@@H](C)NC(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)cc1[N+](=O)[O-] ZINC000429077543 857498152 /nfs/dbraw/zinc/49/81/52/857498152.db2.gz VGMYFHNRLPFGLQ-IAGOWNOFSA-N 1 2 412.490 4.179 20 5 HIBDLO Cc1ccoc1C[N@@H+](C)[C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000429388184 857636816 /nfs/dbraw/zinc/63/68/16/857636816.db2.gz QXDOCVROSJDYJR-CYBMUJFWSA-N 1 2 400.460 4.079 20 5 HIBDLO Cc1ccoc1C[N@H+](C)[C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000429388184 857636820 /nfs/dbraw/zinc/63/68/20/857636820.db2.gz QXDOCVROSJDYJR-CYBMUJFWSA-N 1 2 400.460 4.079 20 5 HIBDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000429526499 857719494 /nfs/dbraw/zinc/71/94/94/857719494.db2.gz JJUKACBIHAXTDG-UHFFFAOYSA-N 1 2 405.458 4.143 20 5 HIBDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)C(C)(C)c3ccccc3[N+](=O)[O-])n2)C1 ZINC000432427518 859160382 /nfs/dbraw/zinc/16/03/82/859160382.db2.gz ZDGRTCBSYBCWPY-CQSZACIVSA-N 1 2 402.520 4.200 20 5 HIBDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)C(C)(C)c3ccccc3[N+](=O)[O-])n2)C1 ZINC000432427518 859160389 /nfs/dbraw/zinc/16/03/89/859160389.db2.gz ZDGRTCBSYBCWPY-CQSZACIVSA-N 1 2 402.520 4.200 20 5 HIBDLO C[C@@H]1C[N@H+](Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC[S@@](=O)C1 ZINC000433025302 859485826 /nfs/dbraw/zinc/48/58/26/859485826.db2.gz JLZUGEWATYQEHP-LOKFHWFJSA-N 1 2 408.907 4.241 20 5 HIBDLO C[C@@H]1C[N@@H+](Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC[S@@](=O)C1 ZINC000433025302 859485829 /nfs/dbraw/zinc/48/58/29/859485829.db2.gz JLZUGEWATYQEHP-LOKFHWFJSA-N 1 2 408.907 4.241 20 5 HIBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000433315869 859634456 /nfs/dbraw/zinc/63/44/56/859634456.db2.gz CMWWHCXEFSAPMX-ZFWWWQNUSA-N 1 2 403.866 4.073 20 5 HIBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000433315869 859634466 /nfs/dbraw/zinc/63/44/66/859634466.db2.gz CMWWHCXEFSAPMX-ZFWWWQNUSA-N 1 2 403.866 4.073 20 5 HIBDLO CC(C)CCSc1ccc(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000434304848 860267183 /nfs/dbraw/zinc/26/71/83/860267183.db2.gz IYXKEBFGTPHGBC-UHFFFAOYSA-N 1 2 402.520 4.476 20 5 HIBDLO CC(C)CCSc1ccc(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc1[N+](=O)[O-] ZINC000434304848 860267194 /nfs/dbraw/zinc/26/71/94/860267194.db2.gz IYXKEBFGTPHGBC-UHFFFAOYSA-N 1 2 402.520 4.476 20 5 HIBDLO O=C(Nc1cc(F)c(F)cc1Br)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000435256149 860705322 /nfs/dbraw/zinc/70/53/22/860705322.db2.gz MRFAZJZMLSVTGZ-UHFFFAOYSA-N 1 2 423.173 4.074 20 5 HIBDLO NC(=O)c1ccc(C[NH2+][C@H](c2cccc(F)c2)c2cccc(Cl)c2)c([N+](=O)[O-])c1 ZINC000467776219 881594804 /nfs/dbraw/zinc/59/48/04/881594804.db2.gz QQRJSKPDDFXTCI-FQEVSTJZSA-N 1 2 413.836 4.365 20 5 HIBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000439868075 865175889 /nfs/dbraw/zinc/17/58/89/865175889.db2.gz DCHRDYCHIMOAMO-FQEVSTJZSA-N 1 2 423.473 4.370 20 5 HIBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC[C@]2(CCCc3ccccc32)C1 ZINC000440001024 865304832 /nfs/dbraw/zinc/30/48/32/865304832.db2.gz PGMKBUGQGQDFDT-XMMPIXPASA-N 1 2 416.481 4.291 20 5 HIBDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)c(C)c1 ZINC000441487674 866568650 /nfs/dbraw/zinc/56/86/50/866568650.db2.gz FWTGGPHFTZMMLF-NRFANRHFSA-N 1 2 419.485 4.154 20 5 HIBDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000441486678 866569412 /nfs/dbraw/zinc/56/94/12/866569412.db2.gz FFAXVDZTNFCRHF-UTKZUKDTSA-N 1 2 424.526 4.446 20 5 HIBDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000441486672 866569427 /nfs/dbraw/zinc/56/94/27/866569427.db2.gz FFAXVDZTNFCRHF-DYESRHJHSA-N 1 2 424.526 4.446 20 5 HIBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000443588516 868143908 /nfs/dbraw/zinc/14/39/08/868143908.db2.gz BFTANGMCJOLEAV-UHFFFAOYSA-N 1 2 402.882 4.045 20 5 HIBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000443588516 868143920 /nfs/dbraw/zinc/14/39/20/868143920.db2.gz BFTANGMCJOLEAV-UHFFFAOYSA-N 1 2 402.882 4.045 20 5 HIBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@@H](c2cccc(Cl)c2)OC[C@@H]1C ZINC000444725438 868978269 /nfs/dbraw/zinc/97/82/69/868978269.db2.gz MWKFFHHCWOMHSL-YWZLYKJASA-N 1 2 417.893 4.347 20 5 HIBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H](c2cccc(Cl)c2)OC[C@@H]1C ZINC000444725438 868978276 /nfs/dbraw/zinc/97/82/76/868978276.db2.gz MWKFFHHCWOMHSL-YWZLYKJASA-N 1 2 417.893 4.347 20 5 HIBDLO COc1cc(C[N@@H+]2CCN(c3cccc4cnccc43)C[C@H]2C)c([N+](=O)[O-])cc1F ZINC000447386817 871294129 /nfs/dbraw/zinc/29/41/29/871294129.db2.gz RPUNGGMHGDOLBI-OAHLLOKOSA-N 1 2 410.449 4.001 20 5 HIBDLO COc1cc(C[N@H+]2CCN(c3cccc4cnccc43)C[C@H]2C)c([N+](=O)[O-])cc1F ZINC000447386817 871294162 /nfs/dbraw/zinc/29/41/62/871294162.db2.gz RPUNGGMHGDOLBI-OAHLLOKOSA-N 1 2 410.449 4.001 20 5 HIBDLO O=C([C@H]([NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccccc1)N1CCCCC1 ZINC000447398574 871309255 /nfs/dbraw/zinc/30/92/55/871309255.db2.gz SJDPCENPCFLVTB-LJQANCHMSA-N 1 2 421.419 4.457 20 5 HIBDLO O=C(c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000447683419 871613512 /nfs/dbraw/zinc/61/35/12/871613512.db2.gz PVXFEAXBDFOLOC-LJQANCHMSA-N 1 2 404.426 4.027 20 5 HIBDLO O=C(c1cc([N+](=O)[O-])ccc1Oc1ccccc1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000447688078 871621214 /nfs/dbraw/zinc/62/12/14/871621214.db2.gz WPGGFRBRLFEMDD-LJQANCHMSA-N 1 2 405.410 4.076 20 5 HIBDLO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]Cc1noc(-c2cccc(Br)c2)n1 ZINC000448277972 872201112 /nfs/dbraw/zinc/20/11/12/872201112.db2.gz GWLUTEFOJCKOBN-QPJJXVBHSA-N 1 2 415.247 4.210 20 5 HIBDLO Cc1cc(N2CCC[N@H+](Cc3cscn3)CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461773575 874902468 /nfs/dbraw/zinc/90/24/68/874902468.db2.gz JEDWWBNYFJIZCA-UHFFFAOYSA-N 1 2 400.426 4.091 20 5 HIBDLO Cc1cc(N2CCC[N@@H+](Cc3cscn3)CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461773575 874902475 /nfs/dbraw/zinc/90/24/75/874902475.db2.gz JEDWWBNYFJIZCA-UHFFFAOYSA-N 1 2 400.426 4.091 20 5 HIBDLO C[C@@H](c1ccc(F)cc1F)[NH+]1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000462819256 875860193 /nfs/dbraw/zinc/86/01/93/875860193.db2.gz RTLJZYKQDADTBL-LBPRGKRZSA-N 1 2 413.371 4.358 20 5 HIBDLO O=C(C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)Nc1cccc2ccccc21 ZINC000464775138 878017507 /nfs/dbraw/zinc/01/75/07/878017507.db2.gz KVPZLRHLGZEYCY-UHFFFAOYSA-N 1 2 405.454 4.230 20 5 HIBDLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 ZINC000466798460 880576996 /nfs/dbraw/zinc/57/69/96/880576996.db2.gz ZRLXEEHIPJCARI-CYBMUJFWSA-N 1 2 416.890 4.414 20 5 HIBDLO C[C@@H]1CCN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000469154900 883251782 /nfs/dbraw/zinc/25/17/82/883251782.db2.gz NAOLWVXCNQYMMW-PXAZEXFGSA-N 1 2 416.279 4.190 20 5 HIBDLO C[C@@H]1CCN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C[C@@H]1n1cc[nH+]c1 ZINC000469384759 883528598 /nfs/dbraw/zinc/52/85/98/883528598.db2.gz WGYIIVPVAOJAQA-IERDGZPVSA-N 1 2 405.458 4.258 20 5 HIBDLO C[C@]1(O)CCC[N@@H+]([C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CC1 ZINC000471074073 885593734 /nfs/dbraw/zinc/59/37/34/885593734.db2.gz ZVNFMCFNHBDCTJ-FPOVZHCZSA-N 1 2 417.893 4.165 20 5 HIBDLO C[C@]1(O)CCC[N@H+]([C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CC1 ZINC000471074073 885593747 /nfs/dbraw/zinc/59/37/47/885593747.db2.gz ZVNFMCFNHBDCTJ-FPOVZHCZSA-N 1 2 417.893 4.165 20 5 HIBDLO O=[N+]([O-])c1cccc(F)c1CSc1nnc(C[NH+]2CCCC2)n1-c1ccccc1 ZINC000504536070 913314477 /nfs/dbraw/zinc/31/44/77/913314477.db2.gz KRGYUOPNSGMILY-UHFFFAOYSA-N 1 2 413.478 4.203 20 5 HIBDLO O=C(CC[N@@H+]1CCO[C@H](c2cccc(C(F)(F)F)c2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000477013428 891939660 /nfs/dbraw/zinc/93/96/60/891939660.db2.gz SFELHVHYVFXECK-SFHVURJKSA-N 1 2 423.391 4.016 20 5 HIBDLO O=C(CC[N@H+]1CCO[C@H](c2cccc(C(F)(F)F)c2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000477013428 891939672 /nfs/dbraw/zinc/93/96/72/891939672.db2.gz SFELHVHYVFXECK-SFHVURJKSA-N 1 2 423.391 4.016 20 5 HIBDLO O=[N+]([O-])c1cccc(-c2noc(C[NH2+]C3(c4ccc(Br)cc4)CC3)n2)c1 ZINC000477486915 892483496 /nfs/dbraw/zinc/48/34/96/892483496.db2.gz TYGFNGMCQHJNHQ-UHFFFAOYSA-N 1 2 415.247 4.186 20 5 HIBDLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000478002575 893108223 /nfs/dbraw/zinc/10/82/23/893108223.db2.gz LRBVAXPTPDKJJZ-UHFFFAOYSA-N 1 2 420.347 4.487 20 5 HIBDLO CCCN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@H]1CCCc2cccnc21 ZINC000479342163 894636012 /nfs/dbraw/zinc/63/60/12/894636012.db2.gz ADMBPOUERSOMEK-IBGZPJMESA-N 1 2 405.458 4.105 20 5 HIBDLO O=[N+]([O-])c1cc(C[NH2+]Cc2cc(Br)ccc2Br)cs1 ZINC000479618294 894887813 /nfs/dbraw/zinc/88/78/13/894887813.db2.gz RCAOVNNKQCPEAH-UHFFFAOYSA-N 1 2 406.099 4.471 20 5 HIBDLO O=[N+]([O-])c1ccc(C[NH2+]Cc2cc(Br)ccc2OC(F)F)c(F)c1 ZINC000480042579 895390710 /nfs/dbraw/zinc/39/07/10/895390710.db2.gz HAEHDBWEZJRXCJ-UHFFFAOYSA-N 1 2 405.170 4.388 20 5 HIBDLO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000481643794 897028384 /nfs/dbraw/zinc/02/83/84/897028384.db2.gz VZDMCRRCQGTHSC-UHFFFAOYSA-N 1 2 423.926 4.055 20 5 HIBDLO COc1cc(Cl)c(Cl)cc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000482036938 897453149 /nfs/dbraw/zinc/45/31/49/897453149.db2.gz WCNPOILCMPTCBF-UHFFFAOYSA-N 1 2 407.213 4.348 20 5 HIBDLO CSc1cccc(C(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000485742098 900996162 /nfs/dbraw/zinc/99/61/62/900996162.db2.gz HLIKHWHAASFVEI-GASCZTMLSA-N 1 2 415.515 4.178 20 5 HIBDLO CSc1cccc(C(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000485742098 900996178 /nfs/dbraw/zinc/99/61/78/900996178.db2.gz HLIKHWHAASFVEI-GASCZTMLSA-N 1 2 415.515 4.178 20 5 HIBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCn2c(cc3c2cccc3Cl)C1 ZINC000487412255 902195347 /nfs/dbraw/zinc/19/53/47/902195347.db2.gz QMGWMLNXXPYOAG-UHFFFAOYSA-N 1 2 421.844 4.045 20 5 HIBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000487530575 902236851 /nfs/dbraw/zinc/23/68/51/902236851.db2.gz QOWFYBHAQGCVBR-HNNXBMFYSA-N 1 2 415.515 4.352 20 5 HIBDLO Cc1ccc([C@@H](C)NC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)cc1[N+](=O)[O-] ZINC000487734187 902327254 /nfs/dbraw/zinc/32/72/54/902327254.db2.gz VODKPTYAFYYTIO-CQSZACIVSA-N 1 2 403.508 4.228 20 5 HIBDLO C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000489534880 903445205 /nfs/dbraw/zinc/44/52/05/903445205.db2.gz FENWKTJYXYUIIH-MJGOQNOKSA-N 1 2 419.884 4.227 20 5 HIBDLO C[N@H+]1CC[C@@H](NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000489534880 903445216 /nfs/dbraw/zinc/44/52/16/903445216.db2.gz FENWKTJYXYUIIH-MJGOQNOKSA-N 1 2 419.884 4.227 20 5 HIBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCN([C@H](C)c2nc(-c3ccccc3)no2)CC1 ZINC000489966115 903701929 /nfs/dbraw/zinc/70/19/29/903701929.db2.gz NTYZZHOGLJHRBV-ZWKOTPCHSA-N 1 2 421.501 4.393 20 5 HIBDLO COC[C@H](c1ccc(Cl)cc1)[N@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000490057177 903747947 /nfs/dbraw/zinc/74/79/47/903747947.db2.gz HTRUJUBOBBFUQQ-QGZVFWFLSA-N 1 2 412.273 4.160 20 5 HIBDLO COC[C@H](c1ccc(Cl)cc1)[N@@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000490057177 903747954 /nfs/dbraw/zinc/74/79/54/903747954.db2.gz HTRUJUBOBBFUQQ-QGZVFWFLSA-N 1 2 412.273 4.160 20 5 HIBDLO Cc1ccc(NC(=O)C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c(Br)c1 ZINC000490062061 903751574 /nfs/dbraw/zinc/75/15/74/903751574.db2.gz YYQDHQNFXZBRRO-UHFFFAOYSA-N 1 2 418.291 4.269 20 5 HIBDLO Cc1ccc(NC(=O)C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c(Br)c1 ZINC000490062061 903751583 /nfs/dbraw/zinc/75/15/83/903751583.db2.gz YYQDHQNFXZBRRO-UHFFFAOYSA-N 1 2 418.291 4.269 20 5 HIBDLO CCOc1ccc([C@H]2CCCN2C(=O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000490824279 904269616 /nfs/dbraw/zinc/26/96/16/904269616.db2.gz UGGAEPWTSZNAIO-HSZRJFAPSA-N 1 2 423.513 4.322 20 5 HIBDLO CCOc1ccc([C@H]2CCCN2C(=O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000490824279 904269630 /nfs/dbraw/zinc/26/96/30/904269630.db2.gz UGGAEPWTSZNAIO-HSZRJFAPSA-N 1 2 423.513 4.322 20 5 HIBDLO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000493966679 905317175 /nfs/dbraw/zinc/31/71/75/905317175.db2.gz KYGZPPSVLOEOAK-MRXNPFEDSA-N 1 2 416.547 4.171 20 5 HIBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000494014314 905353524 /nfs/dbraw/zinc/35/35/24/905353524.db2.gz CLMNGOVKPMRLML-PZJWPPBQSA-N 1 2 405.458 4.458 20 5 HIBDLO CC[C@H]([NH2+]Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-])c1nc(C)cs1 ZINC000494633599 905873937 /nfs/dbraw/zinc/87/39/37/905873937.db2.gz OJNHYXJVXNHXMY-LBPRGKRZSA-N 1 2 401.435 4.253 20 5 HIBDLO Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1COCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000502356515 911337837 /nfs/dbraw/zinc/33/78/37/911337837.db2.gz YQQXNABZOYDMMH-QHCPKHFHSA-N 1 2 420.513 4.072 20 5 HIBDLO Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1COCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000502356515 911337859 /nfs/dbraw/zinc/33/78/59/911337859.db2.gz YQQXNABZOYDMMH-QHCPKHFHSA-N 1 2 420.513 4.072 20 5 HIBDLO Cc1nn(Cc2ccccc2)c(C)c1[C@H]1COCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000502356511 911338547 /nfs/dbraw/zinc/33/85/47/911338547.db2.gz YQQXNABZOYDMMH-HSZRJFAPSA-N 1 2 420.513 4.072 20 5 HIBDLO Cc1nn(Cc2ccccc2)c(C)c1[C@H]1COCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000502356511 911338571 /nfs/dbraw/zinc/33/85/71/911338571.db2.gz YQQXNABZOYDMMH-HSZRJFAPSA-N 1 2 420.513 4.072 20 5 HIBDLO C[C@H]1CCCN(c2ccc(C(=O)Nc3ccc(-c4[nH]cc[nH+]4)cc3)cc2[N+](=O)[O-])C1 ZINC000502568483 911573084 /nfs/dbraw/zinc/57/30/84/911573084.db2.gz IFXUASRNIROPCX-HNNXBMFYSA-N 1 2 405.458 4.474 20 5 HIBDLO Cc1nn(Cc2ccc(C(=O)Nc3ccc(-c4[nH]cc[nH+]4)cc3)cc2)c(C)c1[N+](=O)[O-] ZINC000502570312 911576435 /nfs/dbraw/zinc/57/64/35/911576435.db2.gz OSKMGCREFVTXDO-UHFFFAOYSA-N 1 2 416.441 4.099 20 5 HIBDLO Cn1cc(C[N@@H+]2CCn3cccc3[C@@H]2c2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000507344060 916098753 /nfs/dbraw/zinc/09/87/53/916098753.db2.gz ZQRZEMMLJZFVPJ-DEOSSOPVSA-N 1 2 413.481 4.402 20 5 HIBDLO Cn1cc(C[N@H+]2CCn3cccc3[C@@H]2c2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000507344060 916098770 /nfs/dbraw/zinc/09/87/70/916098770.db2.gz ZQRZEMMLJZFVPJ-DEOSSOPVSA-N 1 2 413.481 4.402 20 5 HIBDLO O=[N+]([O-])c1ccc(-c2noc(CNc3cccc4c3CN(c3cccc[nH+]3)C4)n2)cc1 ZINC000507582992 916335857 /nfs/dbraw/zinc/33/58/57/916335857.db2.gz NWEFWFSJNUBHGQ-UHFFFAOYSA-N 1 2 414.425 4.172 20 5 HIBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@@H](C)CC[C@H]1c1ccccc1OC ZINC000510185092 918735079 /nfs/dbraw/zinc/73/50/79/918735079.db2.gz MBOUQGICOSLJBE-KXBFYZLASA-N 1 2 413.474 4.024 20 5 HIBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@@H](C)CC[C@H]1c1ccccc1OC ZINC000510185092 918735092 /nfs/dbraw/zinc/73/50/92/918735092.db2.gz MBOUQGICOSLJBE-KXBFYZLASA-N 1 2 413.474 4.024 20 5 HIBDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)Nc1c(Cl)cccc1C(F)(F)F ZINC000511137730 919754855 /nfs/dbraw/zinc/75/48/55/919754855.db2.gz CQRUQIPPKAROON-UHFFFAOYSA-N 1 2 415.799 4.380 20 5 HIBDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)Nc1c(Cl)cccc1C(F)(F)F ZINC000511137730 919754861 /nfs/dbraw/zinc/75/48/61/919754861.db2.gz CQRUQIPPKAROON-UHFFFAOYSA-N 1 2 415.799 4.380 20 5 HIBDLO Cc1ccc(NC(=O)c2ccc(N[C@@H]3CCN(c4cccc[nH+]4)C3)c([N+](=O)[O-])c2)cc1 ZINC000511602239 920247164 /nfs/dbraw/zinc/24/71/64/920247164.db2.gz AQPJXZNGIAAPHI-LJQANCHMSA-N 1 2 417.469 4.241 20 5 HIBDLO COc1ccc(-c2ccc(C[N@@H+]3CCO[C@@H](c4cccs4)C3)o2)c([N+](=O)[O-])c1 ZINC000512210612 920957297 /nfs/dbraw/zinc/95/72/97/920957297.db2.gz GMIPXMPYQSYRHP-LJQANCHMSA-N 1 2 400.456 4.498 20 5 HIBDLO COc1ccc(-c2ccc(C[N@H+]3CCO[C@@H](c4cccs4)C3)o2)c([N+](=O)[O-])c1 ZINC000512210612 920957307 /nfs/dbraw/zinc/95/73/07/920957307.db2.gz GMIPXMPYQSYRHP-LJQANCHMSA-N 1 2 400.456 4.498 20 5 HIBDLO Cc1c(Br)cc(C(=O)Nc2ccccc2-n2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000512272547 921028174 /nfs/dbraw/zinc/02/81/74/921028174.db2.gz ZAECVUBWLCTRIG-UHFFFAOYSA-N 1 2 401.220 4.104 20 5 HIBDLO Cn1ccnc1[C@H]([NH2+]CCOc1ccc2ccccc2c1)c1cccc([N+](=O)[O-])c1 ZINC000513656646 921978281 /nfs/dbraw/zinc/97/82/81/921978281.db2.gz WCXQAHOUDWCJOV-JOCHJYFZSA-N 1 2 402.454 4.240 20 5 HIBDLO Cn1ccnc1[C@H]([NH2+]C[C@H](Cc1ccccc1)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000515020907 922881295 /nfs/dbraw/zinc/88/12/95/922881295.db2.gz SHNAUUYLCKIGQR-PKOBYXMFSA-N 1 2 418.419 4.429 20 5 HIBDLO C[N@H+](Cc1cscn1)Cc1cccc(Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)c1 ZINC000517669071 926773375 /nfs/dbraw/zinc/77/33/75/926773375.db2.gz SXCNVJFTWBKHAE-UHFFFAOYSA-N 1 2 423.498 4.312 20 5 HIBDLO C[N@@H+](Cc1cscn1)Cc1cccc(Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)c1 ZINC000517669071 926773386 /nfs/dbraw/zinc/77/33/86/926773386.db2.gz SXCNVJFTWBKHAE-UHFFFAOYSA-N 1 2 423.498 4.312 20 5 HIBDLO Cc1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1NC(=O)C(C)(C)C ZINC000517672606 926777832 /nfs/dbraw/zinc/77/78/32/926777832.db2.gz WPGDLIMXAJWBEB-UHFFFAOYSA-N 1 2 421.457 4.326 20 5 HIBDLO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000524553411 929683152 /nfs/dbraw/zinc/68/31/52/929683152.db2.gz LOVSAROXQDQSKK-JKSUJKDBSA-N 1 2 415.515 4.107 20 5 HIBDLO C[C@H](CNC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)Cn1cc[nH+]c1 ZINC000524814260 929840577 /nfs/dbraw/zinc/84/05/77/929840577.db2.gz JNQMUYNVIGNVJV-CQSZACIVSA-N 1 2 414.849 4.303 20 5 HIBDLO CC[N@H+](CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)Cc1cccs1 ZINC000532893633 931682419 /nfs/dbraw/zinc/68/24/19/931682419.db2.gz JGZZYZDUXIHMES-UHFFFAOYSA-N 1 2 402.501 4.240 20 5 HIBDLO CC[N@@H+](CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)Cc1cccs1 ZINC000532893633 931682421 /nfs/dbraw/zinc/68/24/21/931682421.db2.gz JGZZYZDUXIHMES-UHFFFAOYSA-N 1 2 402.501 4.240 20 5 HIBDLO CC[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)Cc1cccc(Br)c1 ZINC000533250480 931818457 /nfs/dbraw/zinc/81/84/57/931818457.db2.gz NLCRQMFLZQABEI-UHFFFAOYSA-N 1 2 417.263 4.429 20 5 HIBDLO CC[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)Cc1cccc(Br)c1 ZINC000533250480 931818458 /nfs/dbraw/zinc/81/84/58/931818458.db2.gz NLCRQMFLZQABEI-UHFFFAOYSA-N 1 2 417.263 4.429 20 5 HIBDLO C[N@@H+]1CC[C@@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534992430 932879529 /nfs/dbraw/zinc/87/95/29/932879529.db2.gz SMBYYLSYMULVJF-VQIMIIECSA-N 1 2 416.840 4.044 20 5 HIBDLO C[N@H+]1CC[C@@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534992430 932879533 /nfs/dbraw/zinc/87/95/33/932879533.db2.gz SMBYYLSYMULVJF-VQIMIIECSA-N 1 2 416.840 4.044 20 5 HIBDLO O=[N+]([O-])c1cccc(-c2nc(CN3CC[NH+](Cc4ccsc4)CC3)cs2)c1 ZINC000535068640 932896940 /nfs/dbraw/zinc/89/69/40/932896940.db2.gz IVAUKTOTGINJLH-UHFFFAOYSA-N 1 2 400.529 4.098 20 5 HIBDLO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000536154475 933690956 /nfs/dbraw/zinc/69/09/56/933690956.db2.gz HDHPLQACRRPTDU-UHFFFAOYSA-N 1 2 415.453 4.457 20 5 HIBDLO CC(C)[N@@H+]1CC[C@H](NC(=O)c2ccc(F)cc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000537494460 933796153 /nfs/dbraw/zinc/79/61/53/933796153.db2.gz ATUVWJNZXLGDDQ-HKUYNNGSSA-N 1 2 423.847 4.480 20 5 HIBDLO CC(C)[N@H+]1CC[C@H](NC(=O)c2ccc(F)cc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000537494460 933796158 /nfs/dbraw/zinc/79/61/58/933796158.db2.gz ATUVWJNZXLGDDQ-HKUYNNGSSA-N 1 2 423.847 4.480 20 5 HIBDLO O=[N+]([O-])c1cc(C[NH+]2CCC(O)(Cc3ccc(OC(F)(F)F)cc3)CC2)cs1 ZINC000538638960 938669875 /nfs/dbraw/zinc/66/98/75/938669875.db2.gz DBWNWICJCGASSD-UHFFFAOYSA-N 1 2 416.421 4.125 20 5 HIBDLO COc1cccc(NC2CC[NH+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)CC2)c1 ZINC000538729528 938694420 /nfs/dbraw/zinc/69/44/20/938694420.db2.gz WKXBEMLUVIIVEY-UHFFFAOYSA-N 1 2 407.417 4.281 20 5 HIBDLO O=C(N[C@@H]1CCCOc2cc(Cl)ccc21)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000539482731 938866914 /nfs/dbraw/zinc/86/69/14/938866914.db2.gz HSFOLWYKTZBXTR-MRXNPFEDSA-N 1 2 412.833 4.078 20 5 HIBDLO C[C@@H]([NH2+][C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1cccc(N2CCCC2=O)c1 ZINC000540407542 939237803 /nfs/dbraw/zinc/23/78/03/939237803.db2.gz NNHFAZLVDUOEIC-CABCVRRESA-N 1 2 421.457 4.183 20 5 HIBDLO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000541283794 939489257 /nfs/dbraw/zinc/48/92/57/939489257.db2.gz RBWLEFOUOLSUPC-UHFFFAOYSA-N 1 2 406.826 4.304 20 5 HIBDLO C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1)Cn1cc[nH+]c1 ZINC000541671550 939597183 /nfs/dbraw/zinc/59/71/83/939597183.db2.gz XRGIBYBBNUPNIK-OAHLLOKOSA-N 1 2 402.520 4.140 20 5 HIBDLO CCc1ccc([C@@H]([NH2+]Cc2ccc(-n3cncn3)cc2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000542494432 939832586 /nfs/dbraw/zinc/83/25/86/939832586.db2.gz JOSDRRYVBVLEFP-QFIPXVFZSA-N 1 2 403.442 4.210 20 5 HIBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1nc(C(C)(C)C)cs1 ZINC000542589040 939846779 /nfs/dbraw/zinc/84/67/79/939846779.db2.gz UDADBSVKMUSXIT-RYUDHWBXSA-N 1 2 406.508 4.035 20 5 HIBDLO Cc1ccc([C@H](C)NC(=O)c2cccc(CNc3cc[nH+]c(C)n3)c2)cc1[N+](=O)[O-] ZINC000542606967 939847865 /nfs/dbraw/zinc/84/78/65/939847865.db2.gz BBAYELDIXBHNMM-HNNXBMFYSA-N 1 2 405.458 4.105 20 5 HIBDLO CCNC(=O)c1ccc(C[NH2+][C@H](c2ccc(CC)o2)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000543406736 940054925 /nfs/dbraw/zinc/05/49/25/940054925.db2.gz QHWCMLKXZJPIDN-QFIPXVFZSA-N 1 2 407.470 4.379 20 5 HIBDLO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)c1nc(C(F)(F)F)cs1 ZINC000543497064 940084832 /nfs/dbraw/zinc/08/48/32/940084832.db2.gz SLYCGRXXGUFBIU-CABZTGNLSA-N 1 2 402.398 4.138 20 5 HIBDLO COc1cc(COc2ccccc2-n2cc[nH+]c2)c([N+](=O)[O-])cc1OCC(F)F ZINC000543727074 940170568 /nfs/dbraw/zinc/17/05/68/940170568.db2.gz PZLGKQIWADYBSZ-UHFFFAOYSA-N 1 2 405.357 4.012 20 5 HIBDLO CC[C@@H]([NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-])c1nc(C(F)(F)F)cs1 ZINC000544453922 940437520 /nfs/dbraw/zinc/43/75/20/940437520.db2.gz YAUAVDPSSILDHE-SNVBAGLBSA-N 1 2 402.398 4.058 20 5 HIBDLO C[C@H](c1cccc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)c1)[NH+]1CCOCC1 ZINC000545125123 940545185 /nfs/dbraw/zinc/54/51/85/940545185.db2.gz DXLLLYJHHZIVCQ-OAHLLOKOSA-N 1 2 415.465 4.043 20 5 HIBDLO Cc1ccc(Sc2ccc(-c3nc(Cc4c[nH+]cn4C)no3)cc2[N+](=O)[O-])cc1 ZINC000545137841 940547885 /nfs/dbraw/zinc/54/78/85/940547885.db2.gz JWDONYVRNVCNGH-UHFFFAOYSA-N 1 2 407.455 4.429 20 5 HIBDLO Cc1cc(Br)cn2cc(CCNc3ncc([N+](=O)[O-])cc3Cl)[nH+]c12 ZINC000545348848 940563777 /nfs/dbraw/zinc/56/37/77/940563777.db2.gz OUUYKMYKKKIJLL-UHFFFAOYSA-N 1 2 410.659 4.016 20 5 HIBDLO C[C@H]1CO[C@H](c2noc(/C=C\c3ccc(F)cc3[N+](=O)[O-])n2)C[N@@H+]1Cc1ccccc1 ZINC000545812469 940608513 /nfs/dbraw/zinc/60/85/13/940608513.db2.gz HOJAGROJOBQNEF-OWWRJGHASA-N 1 2 424.432 4.249 20 5 HIBDLO C[C@H]1CO[C@H](c2noc(/C=C\c3ccc(F)cc3[N+](=O)[O-])n2)C[N@H+]1Cc1ccccc1 ZINC000545812469 940608517 /nfs/dbraw/zinc/60/85/17/940608517.db2.gz HOJAGROJOBQNEF-OWWRJGHASA-N 1 2 424.432 4.249 20 5 HIBDLO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])o2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000564029513 945357013 /nfs/dbraw/zinc/35/70/13/945357013.db2.gz LHBDWXFVMORTCM-YOEHRIQHSA-N 1 2 409.845 4.324 20 5 HIBDLO CC(C)(C)[N@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])o2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000564029513 945357023 /nfs/dbraw/zinc/35/70/23/945357023.db2.gz LHBDWXFVMORTCM-YOEHRIQHSA-N 1 2 409.845 4.324 20 5 HIBDLO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])o2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000564029512 945357923 /nfs/dbraw/zinc/35/79/23/945357923.db2.gz LHBDWXFVMORTCM-WMLDXEAASA-N 1 2 409.845 4.324 20 5 HIBDLO CC(C)(C)[N@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])o2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000564029512 945357938 /nfs/dbraw/zinc/35/79/38/945357938.db2.gz LHBDWXFVMORTCM-WMLDXEAASA-N 1 2 409.845 4.324 20 5 HIBDLO C[C@H](C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)Oc1ccccc1Cl ZINC000552062221 941577028 /nfs/dbraw/zinc/57/70/28/941577028.db2.gz QANGMRYHIWLLSA-KUHUBIRLSA-N 1 2 400.866 4.128 20 5 HIBDLO CC(=O)N1CC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC12CCCCC2 ZINC000552175673 941596557 /nfs/dbraw/zinc/59/65/57/941596557.db2.gz GSQJJPOTJPMMKO-UHFFFAOYSA-N 1 2 414.531 4.085 20 5 HIBDLO CC(=O)N1CC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC12CCCCC2 ZINC000552175673 941596559 /nfs/dbraw/zinc/59/65/59/941596559.db2.gz GSQJJPOTJPMMKO-UHFFFAOYSA-N 1 2 414.531 4.085 20 5 HIBDLO C[C@@H](C[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)Oc1ccccc1Cl ZINC000556885888 942951130 /nfs/dbraw/zinc/95/11/30/942951130.db2.gz IWMJARQGXOSHSY-IFXJQAMLSA-N 1 2 400.866 4.128 20 5 HIBDLO CC[C@H](c1ccc(F)cc1F)[NH+]1CCN(c2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000561207917 944514685 /nfs/dbraw/zinc/51/46/85/944514685.db2.gz KIDNEAFKTWOAFE-MRXNPFEDSA-N 1 2 419.457 4.151 20 5 HIBDLO O=C(NC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1)c1ccsc1 ZINC000569574071 946891505 /nfs/dbraw/zinc/89/15/05/946891505.db2.gz OLWDWHVTLURKMF-UHFFFAOYSA-N 1 2 413.421 4.070 20 5 HIBDLO Cn1ccnc1[C@H]([NH2+]CCSc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000571665350 947739457 /nfs/dbraw/zinc/73/94/57/947739457.db2.gz BAGCGKUOGAQOJP-GOSISDBHSA-N 1 2 402.907 4.453 20 5 HIBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000575851451 948742322 /nfs/dbraw/zinc/74/23/22/948742322.db2.gz VYFBWCIDHDZHPF-SJLPKXTDSA-N 1 2 406.845 4.263 20 5 HIBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000575851451 948742334 /nfs/dbraw/zinc/74/23/34/948742334.db2.gz VYFBWCIDHDZHPF-SJLPKXTDSA-N 1 2 406.845 4.263 20 5 HIBDLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000435945591 861210428 /nfs/dbraw/zinc/21/04/28/861210428.db2.gz IRVSMWZLXUUHHE-UHFFFAOYSA-N 1 2 416.387 4.398 20 5 HIBDLO Cc1cc(C(=O)N2CC[NH+](Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)co1 ZINC000436074996 861356370 /nfs/dbraw/zinc/35/63/70/861356370.db2.gz LVQLZSCXEGZXTQ-UHFFFAOYSA-N 1 2 411.483 4.183 20 5 HIBDLO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000436188746 861490141 /nfs/dbraw/zinc/49/01/41/861490141.db2.gz SCEQFNIXDYEQSK-UHFFFAOYSA-N 1 2 415.453 4.457 20 5 HIBDLO Cc1cc(NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)cc[nH+]1 ZINC000010165180 845625924 /nfs/dbraw/zinc/62/59/24/845625924.db2.gz DNNDRIJBDZXLBE-UHFFFAOYSA-N 1 2 413.437 4.332 20 5 HIBDLO O=C(C[N@H+](Cc1ccc(F)cc1)C1CC1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000015519398 846057313 /nfs/dbraw/zinc/05/73/13/846057313.db2.gz UUOXULCKMRJWMS-UHFFFAOYSA-N 1 2 422.254 4.100 20 5 HIBDLO O=C(C[N@@H+](Cc1ccc(F)cc1)C1CC1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000015519398 846057323 /nfs/dbraw/zinc/05/73/23/846057323.db2.gz UUOXULCKMRJWMS-UHFFFAOYSA-N 1 2 422.254 4.100 20 5 HIBDLO O=[N+]([O-])c1ccccc1CSc1nnc(C[NH+]2CCCC2)n1Cc1ccccc1 ZINC000025121256 846931603 /nfs/dbraw/zinc/93/16/03/846931603.db2.gz DDMRNDREJHYNQL-UHFFFAOYSA-N 1 2 409.515 4.123 20 5 HIBDLO O=C(C[NH+]1CCC(CCc2ccc(O)cc2)CC1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000026113689 847088042 /nfs/dbraw/zinc/08/80/42/847088042.db2.gz GCWWRZQLQOPPAQ-UHFFFAOYSA-N 1 2 417.893 4.237 20 5 HIBDLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000031561436 847907456 /nfs/dbraw/zinc/90/74/56/847907456.db2.gz FCLMNCGWNUSVHA-UHFFFAOYSA-N 1 2 423.473 4.314 20 5 HIBDLO Cc1cccc(C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000031898145 847963965 /nfs/dbraw/zinc/96/39/65/847963965.db2.gz VNCDOCAMEATIBK-KRWDZBQOSA-N 1 2 405.857 4.263 20 5 HIBDLO Cc1nc(-c2ccc(CNC(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)cc2)cs1 ZINC000052736595 849619820 /nfs/dbraw/zinc/61/98/20/849619820.db2.gz PTCGEZILJVLSJC-UHFFFAOYSA-N 1 2 419.466 4.142 20 5 HIBDLO Cc1c(NC(=O)[C@@H](C)[N@H+](C)Cc2cc(Br)cs2)cccc1[N+](=O)[O-] ZINC000052847965 849634828 /nfs/dbraw/zinc/63/48/28/849634828.db2.gz MFTYCHISRHVOPD-LLVKDONJSA-N 1 2 412.309 4.186 20 5 HIBDLO Cc1c(NC(=O)[C@@H](C)[N@@H+](C)Cc2cc(Br)cs2)cccc1[N+](=O)[O-] ZINC000052847965 849634833 /nfs/dbraw/zinc/63/48/33/849634833.db2.gz MFTYCHISRHVOPD-LLVKDONJSA-N 1 2 412.309 4.186 20 5 HIBDLO Cc1c(NC(=O)[C@H](C)[N@H+](C)Cc2cc(Br)cs2)cccc1[N+](=O)[O-] ZINC000052847966 849635192 /nfs/dbraw/zinc/63/51/92/849635192.db2.gz MFTYCHISRHVOPD-NSHDSACASA-N 1 2 412.309 4.186 20 5 HIBDLO Cc1c(NC(=O)[C@H](C)[N@@H+](C)Cc2cc(Br)cs2)cccc1[N+](=O)[O-] ZINC000052847966 849635201 /nfs/dbraw/zinc/63/52/01/849635201.db2.gz MFTYCHISRHVOPD-NSHDSACASA-N 1 2 412.309 4.186 20 5 HIBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC(=Cc2cccc(F)c2)CC1 ZINC000054022880 849800221 /nfs/dbraw/zinc/80/02/21/849800221.db2.gz UWZWOLVDZKKUHA-UHFFFAOYSA-N 1 2 406.417 4.239 20 5 HIBDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)CSc3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000054277852 849838755 /nfs/dbraw/zinc/83/87/55/849838755.db2.gz WMAYFVOHOIYDJH-CYBMUJFWSA-N 1 2 406.533 4.014 20 5 HIBDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)CSc3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000054277852 849838762 /nfs/dbraw/zinc/83/87/62/849838762.db2.gz WMAYFVOHOIYDJH-CYBMUJFWSA-N 1 2 406.533 4.014 20 5 HIBDLO C[C@@H](c1nnc(SCc2csc([N+](=O)[O-])c2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000054426567 849864806 /nfs/dbraw/zinc/86/48/06/849864806.db2.gz ARUWFJFYHDDYFW-NSHDSACASA-N 1 2 407.496 4.291 20 5 HIBDLO CCOc1cccc2cc([C@@H](C)NC(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)oc21 ZINC000104960191 852684201 /nfs/dbraw/zinc/68/42/01/852684201.db2.gz BDNCTLIJFNIVPN-CQSZACIVSA-N 1 2 420.425 4.416 20 5 HIBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](Cc1ccccc1C(F)(F)F)C1CC1 ZINC000108122622 852823940 /nfs/dbraw/zinc/82/39/40/852823940.db2.gz XDRFRXMGKDYZLV-UHFFFAOYSA-N 1 2 423.391 4.225 20 5 HIBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](Cc1ccccc1C(F)(F)F)C1CC1 ZINC000108122622 852823943 /nfs/dbraw/zinc/82/39/43/852823943.db2.gz XDRFRXMGKDYZLV-UHFFFAOYSA-N 1 2 423.391 4.225 20 5 HIBDLO Cc1c(C[NH2+]Cc2ncc(Br)cc2Br)cccc1[N+](=O)[O-] ZINC000231883914 853897852 /nfs/dbraw/zinc/89/78/52/853897852.db2.gz NYMNMVXQDKXKMF-UHFFFAOYSA-N 1 2 415.085 4.113 20 5 HIBDLO COc1ccc(C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)c(OC)c1OC ZINC000237277438 853996105 /nfs/dbraw/zinc/99/61/05/853996105.db2.gz LLQBTETZCMQOTE-UHFFFAOYSA-N 1 2 415.471 4.034 20 5 HIBDLO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]Cc3cccnc3OCC(F)(F)F)cs2)c1 ZINC000237908757 854118147 /nfs/dbraw/zinc/11/81/47/854118147.db2.gz SELQDGOTBAOSCM-UHFFFAOYSA-N 1 2 424.404 4.344 20 5 HIBDLO C[C@H](c1nnc(Sc2ccc(F)cc2[N+](=O)[O-])n1-c1ccc(F)cc1)[NH+](C)C ZINC000301065576 854285185 /nfs/dbraw/zinc/28/51/85/854285185.db2.gz CIZCCLZIPHOWLJ-LLVKDONJSA-N 1 2 405.430 4.228 20 5 HIBDLO Cc1cc(Sc2nnc([C@H](C)[NH+](C)C)n2-c2ccc(Cl)cc2)ncc1[N+](=O)[O-] ZINC000301454810 854398793 /nfs/dbraw/zinc/39/87/93/854398793.db2.gz VVHAQQGEOHKGEP-LBPRGKRZSA-N 1 2 418.910 4.306 20 5 HIBDLO NC(=O)C1CC[NH+](c2ccc(Nc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)cc2)CC1 ZINC000301823730 854472244 /nfs/dbraw/zinc/47/22/44/854472244.db2.gz LJRDMAPQJNVURF-UHFFFAOYSA-N 1 2 408.380 4.059 20 5 HIBDLO Cc1c(CNc2cc(NCc3cccc([N+](=O)[O-])c3C)[nH+]cn2)cccc1[N+](=O)[O-] ZINC000302729040 854614468 /nfs/dbraw/zinc/61/44/68/854614468.db2.gz QVHWQLFNRKGJIE-UHFFFAOYSA-N 1 2 408.418 4.134 20 5 HIBDLO COc1cc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)ccc1C(F)(F)F ZINC000426926263 856545444 /nfs/dbraw/zinc/54/54/44/856545444.db2.gz XYQPRDBLGWTNFO-UHFFFAOYSA-N 1 2 406.320 4.060 20 5 HIBDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000437587765 862901045 /nfs/dbraw/zinc/90/10/45/862901045.db2.gz HNRNBFMGFRPQEW-UHFFFAOYSA-N 1 2 417.897 4.414 20 5 HIBDLO CC[C@H](NC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000429070759 857493215 /nfs/dbraw/zinc/49/32/15/857493215.db2.gz DRHGNDRCSXRMAE-IERDGZPVSA-N 1 2 412.490 4.261 20 5 HIBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](CCc1ccccn1)Cc1cccnc1 ZINC000430328832 858123535 /nfs/dbraw/zinc/12/35/35/858123535.db2.gz OXRUVOQTLUNYBS-UHFFFAOYSA-N 1 2 406.486 4.417 20 5 HIBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](CCc1ccccn1)Cc1cccnc1 ZINC000430328832 858123537 /nfs/dbraw/zinc/12/35/37/858123537.db2.gz OXRUVOQTLUNYBS-UHFFFAOYSA-N 1 2 406.486 4.417 20 5 HIBDLO CC(C)(NC(=O)Nc1nc(C[NH+]2CCCCC2)cs1)c1ccc([N+](=O)[O-])cc1 ZINC000431091902 858443483 /nfs/dbraw/zinc/44/34/83/858443483.db2.gz WKSHNYCGKNNFGO-UHFFFAOYSA-N 1 2 403.508 4.094 20 5 HIBDLO C[C@H](c1cccc(O)c1)[N@H+](C)CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000440417468 865714704 /nfs/dbraw/zinc/71/47/04/865714704.db2.gz QYMCCWTTYLIPRF-CYBMUJFWSA-N 1 2 412.471 4.055 20 5 HIBDLO C[C@H](c1cccc(O)c1)[N@@H+](C)CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000440417468 865714718 /nfs/dbraw/zinc/71/47/18/865714718.db2.gz QYMCCWTTYLIPRF-CYBMUJFWSA-N 1 2 412.471 4.055 20 5 HIBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(Cc2ccc(Br)s2)CC1 ZINC000441179201 866256928 /nfs/dbraw/zinc/25/69/28/866256928.db2.gz UUJASAVUBGTTDJ-ZDUSSCGKSA-N 1 2 410.337 4.298 20 5 HIBDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC000441275954 866351776 /nfs/dbraw/zinc/35/17/76/866351776.db2.gz IVUUIUULVRSRDH-INIZCTEOSA-N 1 2 412.490 4.040 20 5 HIBDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC000441275954 866351788 /nfs/dbraw/zinc/35/17/88/866351788.db2.gz IVUUIUULVRSRDH-INIZCTEOSA-N 1 2 412.490 4.040 20 5 HIBDLO CCO[C@H](C)c1nc(CN2CC[NH+]([C@@H](C)c3ccccc3[N+](=O)[O-])CC2)cs1 ZINC000441357826 866426866 /nfs/dbraw/zinc/42/68/66/866426866.db2.gz NBDRNVMTGZKRTP-JKSUJKDBSA-N 1 2 404.536 4.028 20 5 HIBDLO O=C(NCc1ccn2cc[nH+]c2c1)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000442633987 867577707 /nfs/dbraw/zinc/57/77/07/867577707.db2.gz LOBRKIZLKKNDOT-UHFFFAOYSA-N 1 2 404.451 4.324 20 5 HIBDLO CCc1ccc([C@H]([NH2+]Cc2cccc(N3CCC3=O)c2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000442799873 867679436 /nfs/dbraw/zinc/67/94/36/867679436.db2.gz LGFCYFMGQIWSQV-HSZRJFAPSA-N 1 2 405.454 4.366 20 5 HIBDLO CC(C)CCSc1ccc(C(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)cc1[N+](=O)[O-] ZINC000444675228 868952081 /nfs/dbraw/zinc/95/20/81/868952081.db2.gz LZENMHDQOKTBCS-QGZVFWFLSA-N 1 2 416.547 4.486 20 5 HIBDLO Cc1cc(Br)ccc1C[N@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000444699785 868964236 /nfs/dbraw/zinc/96/42/36/868964236.db2.gz FAWNOEFLMRDPPD-UHFFFAOYSA-N 1 2 417.263 4.348 20 5 HIBDLO Cc1cc(Br)ccc1C[N@@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000444699785 868964242 /nfs/dbraw/zinc/96/42/42/868964242.db2.gz FAWNOEFLMRDPPD-UHFFFAOYSA-N 1 2 417.263 4.348 20 5 HIBDLO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3cc(Cl)ccc3OCc3cccnc3)nc2c1 ZINC000446841122 870760140 /nfs/dbraw/zinc/76/01/40/870760140.db2.gz MFROODRPUIXWKG-UHFFFAOYSA-N 1 2 423.860 4.388 20 5 HIBDLO O=[N+]([O-])c1cccc(-c2nc(C[NH+]3CCC(Oc4ncccc4F)CC3)cs2)c1 ZINC000447061498 870941555 /nfs/dbraw/zinc/94/15/55/870941555.db2.gz SWGWQSICBICTOS-UHFFFAOYSA-N 1 2 414.462 4.296 20 5 HIBDLO Cc1ncc(C[NH+]2CCN(c3cc(C)c([N+](=O)[O-])cc3C(F)(F)F)CC2)s1 ZINC000461786022 874904916 /nfs/dbraw/zinc/90/49/16/874904916.db2.gz OMMHCYXJJLXNPZ-UHFFFAOYSA-N 1 2 400.426 4.009 20 5 HIBDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000462224835 875333346 /nfs/dbraw/zinc/33/33/46/875333346.db2.gz UGIUENIPNUIUTO-QGZVFWFLSA-N 1 2 416.547 4.067 20 5 HIBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000462495271 875608878 /nfs/dbraw/zinc/60/88/78/875608878.db2.gz KKEFATMMJVZAJB-IEBWSBKVSA-N 1 2 411.502 4.195 20 5 HIBDLO O=C(NCCn1cc[nH+]c1)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000464545330 877760576 /nfs/dbraw/zinc/76/05/76/877760576.db2.gz PVTKRCMPBICNNN-UHFFFAOYSA-N 1 2 402.863 4.026 20 5 HIBDLO O=C(C[N@@H+]1CC[C@H](CSc2ccccc2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000464762625 878004686 /nfs/dbraw/zinc/00/46/86/878004686.db2.gz LTVLHEKFUHSERT-AWEZNQCLSA-N 1 2 405.907 4.301 20 5 HIBDLO O=C(C[N@H+]1CC[C@H](CSc2ccccc2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000464762625 878004706 /nfs/dbraw/zinc/00/47/06/878004706.db2.gz LTVLHEKFUHSERT-AWEZNQCLSA-N 1 2 405.907 4.301 20 5 HIBDLO C[N@@H+](Cc1ccccc1[N+](=O)[O-])Cc1cccc(Br)c1OCC(C)(C)O ZINC000467266631 881005192 /nfs/dbraw/zinc/00/51/92/881005192.db2.gz STRVUSCYZKLDJQ-UHFFFAOYSA-N 1 2 423.307 4.139 20 5 HIBDLO C[N@H+](Cc1ccccc1[N+](=O)[O-])Cc1cccc(Br)c1OCC(C)(C)O ZINC000467266631 881005214 /nfs/dbraw/zinc/00/52/14/881005214.db2.gz STRVUSCYZKLDJQ-UHFFFAOYSA-N 1 2 423.307 4.139 20 5 HIBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000471937685 886736667 /nfs/dbraw/zinc/73/66/67/886736667.db2.gz UILBIXKUWCRZBK-QFBILLFUSA-N 1 2 404.417 4.057 20 5 HIBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000471937685 886736676 /nfs/dbraw/zinc/73/66/76/886736676.db2.gz UILBIXKUWCRZBK-QFBILLFUSA-N 1 2 404.417 4.057 20 5 HIBDLO CC[N@H+](Cc1c([N+](=O)[O-])ncn1C)[C@@H]1CCSc2ccc(Br)cc21 ZINC000475875176 890810822 /nfs/dbraw/zinc/81/08/22/890810822.db2.gz ROBNCCZUTKGONW-CYBMUJFWSA-N 1 2 411.325 4.150 20 5 HIBDLO CC[N@@H+](Cc1c([N+](=O)[O-])ncn1C)[C@@H]1CCSc2ccc(Br)cc21 ZINC000475875176 890810825 /nfs/dbraw/zinc/81/08/25/890810825.db2.gz ROBNCCZUTKGONW-CYBMUJFWSA-N 1 2 411.325 4.150 20 5 HIBDLO O=C(NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000504760490 913496348 /nfs/dbraw/zinc/49/63/48/913496348.db2.gz SITHUKBSDWANHG-UHFFFAOYSA-N 1 2 412.449 4.437 20 5 HIBDLO Cc1cc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cnc1N1CCCC[C@H]1C ZINC000504846184 913571504 /nfs/dbraw/zinc/57/15/04/913571504.db2.gz LTUDYUGRXHTWEG-MRXNPFEDSA-N 1 2 420.473 4.115 20 5 HIBDLO CCc1nc2c(s1)[C@@H]([N@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])CCC2 ZINC000478057447 893214202 /nfs/dbraw/zinc/21/42/02/893214202.db2.gz WWAJWFPDTLXNCZ-AWEZNQCLSA-N 1 2 408.911 4.215 20 5 HIBDLO CCc1nc2c(s1)[C@@H]([N@@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])CCC2 ZINC000478057447 893214217 /nfs/dbraw/zinc/21/42/17/893214217.db2.gz WWAJWFPDTLXNCZ-AWEZNQCLSA-N 1 2 408.911 4.215 20 5 HIBDLO O=C(N[C@@H](c1ccccc1)c1ccc(F)cc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000481659935 897043125 /nfs/dbraw/zinc/04/31/25/897043125.db2.gz OWYWMHCJUIIVMB-QFIPXVFZSA-N 1 2 416.412 4.439 20 5 HIBDLO COc1cccc(F)c1[C@H](C)[NH2+]Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000505474131 914149398 /nfs/dbraw/zinc/14/93/98/914149398.db2.gz YOUXJHOYCOOKAA-NSHDSACASA-N 1 2 414.380 4.246 20 5 HIBDLO COc1ccccc1C[N@H+](C)Cc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000505614325 914318122 /nfs/dbraw/zinc/31/81/22/914318122.db2.gz WBYZAYBTNKRQSH-UHFFFAOYSA-N 1 2 414.380 4.185 20 5 HIBDLO COc1ccccc1C[N@@H+](C)Cc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000505614325 914318132 /nfs/dbraw/zinc/31/81/32/914318132.db2.gz WBYZAYBTNKRQSH-UHFFFAOYSA-N 1 2 414.380 4.185 20 5 HIBDLO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCO[C@H](COCC4CC4)C3)o2)c(Cl)c1 ZINC000485692727 900942035 /nfs/dbraw/zinc/94/20/35/900942035.db2.gz HSMXNCYCBYLQMK-KRWDZBQOSA-N 1 2 406.866 4.136 20 5 HIBDLO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCO[C@H](COCC4CC4)C3)o2)c(Cl)c1 ZINC000485692727 900942047 /nfs/dbraw/zinc/94/20/47/900942047.db2.gz HSMXNCYCBYLQMK-KRWDZBQOSA-N 1 2 406.866 4.136 20 5 HIBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000485879360 901116088 /nfs/dbraw/zinc/11/60/88/901116088.db2.gz DXUDNRIYRYOLDN-LBPRGKRZSA-N 1 2 402.520 4.461 20 5 HIBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000485879360 901116096 /nfs/dbraw/zinc/11/60/96/901116096.db2.gz DXUDNRIYRYOLDN-LBPRGKRZSA-N 1 2 402.520 4.461 20 5 HIBDLO O=[N+]([O-])c1cc(CNc2[nH+]cnc3c2cnn3-c2ccccc2)cc(C(F)(F)F)c1 ZINC000486000450 901216608 /nfs/dbraw/zinc/21/66/08/901216608.db2.gz GEMGBTQABYERCV-UHFFFAOYSA-N 1 2 414.347 4.355 20 5 HIBDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])c(C)c1 ZINC000489757168 903582100 /nfs/dbraw/zinc/58/21/00/903582100.db2.gz WZKGPCYBAGEDQP-FQEVSTJZSA-N 1 2 421.501 4.384 20 5 HIBDLO COc1ccc(C[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)c(OC)c1OC ZINC000490162586 903803000 /nfs/dbraw/zinc/80/30/00/903803000.db2.gz ADMSYBVMVIKROH-OAQYLSRUSA-N 1 2 408.454 4.500 20 5 HIBDLO CC(C)CCn1ncc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1C(C)C ZINC000490180486 903812471 /nfs/dbraw/zinc/81/24/71/903812471.db2.gz KJQZFZGOGKASMG-UHFFFAOYSA-N 1 2 410.478 4.399 20 5 HIBDLO Cc1cc(Br)ccc1NC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000490817255 904262669 /nfs/dbraw/zinc/26/26/69/904262669.db2.gz HCFGRRZWWQFUGX-UHFFFAOYSA-N 1 2 418.291 4.269 20 5 HIBDLO Cc1cc(Br)ccc1NC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000490817255 904262681 /nfs/dbraw/zinc/26/26/81/904262681.db2.gz HCFGRRZWWQFUGX-UHFFFAOYSA-N 1 2 418.291 4.269 20 5 HIBDLO COc1cc(C[NH2+][C@@H]2COc3c2ccc(C)c3C)c([N+](=O)[O-])cc1OCC(F)F ZINC000491033767 904385834 /nfs/dbraw/zinc/38/58/34/904385834.db2.gz QTWYXXLJLFTDHC-OAHLLOKOSA-N 1 2 408.401 4.087 20 5 HIBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC[C@H](C(F)(F)F)c2ccccc21 ZINC000492064580 904781062 /nfs/dbraw/zinc/78/10/62/904781062.db2.gz IFGPEDJFXNRICK-HNNXBMFYSA-N 1 2 416.359 4.477 20 5 HIBDLO CCOc1cc(C[N@H+](Cc2nc3ccccc3c(=O)[nH]2)[C@H](C)CC)ccc1[N+](=O)[O-] ZINC000492517587 904864194 /nfs/dbraw/zinc/86/41/94/904864194.db2.gz XXCMJEUDCYRGPX-OAHLLOKOSA-N 1 2 410.474 4.443 20 5 HIBDLO CCOc1cc(C[N@@H+](Cc2nc3ccccc3c(=O)[nH]2)[C@H](C)CC)ccc1[N+](=O)[O-] ZINC000492517587 904864199 /nfs/dbraw/zinc/86/41/99/904864199.db2.gz XXCMJEUDCYRGPX-OAHLLOKOSA-N 1 2 410.474 4.443 20 5 HIBDLO COc1cccc(OC)c1OC1CC[NH+](Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000493901036 905255414 /nfs/dbraw/zinc/25/54/14/905255414.db2.gz QPMGJWMONQZAAL-UHFFFAOYSA-N 1 2 406.866 4.309 20 5 HIBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+](CCO)Cc1cc(Br)cs1 ZINC000494279627 905602277 /nfs/dbraw/zinc/60/22/77/905602277.db2.gz MKRYDWIKQOIUPL-UHFFFAOYSA-N 1 2 405.701 4.067 20 5 HIBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+](CCO)Cc1cc(Br)cs1 ZINC000494279627 905602283 /nfs/dbraw/zinc/60/22/83/905602283.db2.gz MKRYDWIKQOIUPL-UHFFFAOYSA-N 1 2 405.701 4.067 20 5 HIBDLO Cc1ccc([C@H](C)NC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000494457229 905739440 /nfs/dbraw/zinc/73/94/40/905739440.db2.gz ZAVOCSJIGGDJJA-BUKVSMQUSA-N 1 2 419.485 4.389 20 5 HIBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000497484938 906967772 /nfs/dbraw/zinc/96/77/72/906967772.db2.gz FTXFQPJAFKIRNG-MJGOQNOKSA-N 1 2 421.469 4.160 20 5 HIBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000497484938 906967787 /nfs/dbraw/zinc/96/77/87/906967787.db2.gz FTXFQPJAFKIRNG-MJGOQNOKSA-N 1 2 421.469 4.160 20 5 HIBDLO CC(C)[C@@H](C)C(=O)N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000497795671 907283012 /nfs/dbraw/zinc/28/30/12/907283012.db2.gz PPCXXHKVDBACQC-MRXNPFEDSA-N 1 2 401.532 4.260 20 5 HIBDLO COC[C@H]1CCC[N@@H+]([C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C1 ZINC000499087051 908448878 /nfs/dbraw/zinc/44/88/78/908448878.db2.gz QFRRXDAUPBYRCO-YWZLYKJASA-N 1 2 417.893 4.286 20 5 HIBDLO COC[C@H]1CCC[N@H+]([C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C1 ZINC000499087051 908448884 /nfs/dbraw/zinc/44/88/84/908448884.db2.gz QFRRXDAUPBYRCO-YWZLYKJASA-N 1 2 417.893 4.286 20 5 HIBDLO C[C@@H]1CO[C@@H](c2cccc(Cl)c2)C[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000501864212 910893391 /nfs/dbraw/zinc/89/33/91/910893391.db2.gz QIIMSRHACCLGMT-AUUYWEPGSA-N 1 2 403.866 4.039 20 5 HIBDLO C[C@@H]1CO[C@@H](c2cccc(Cl)c2)C[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000501864212 910893398 /nfs/dbraw/zinc/89/33/98/910893398.db2.gz QIIMSRHACCLGMT-AUUYWEPGSA-N 1 2 403.866 4.039 20 5 HIBDLO Cc1cc(Br)ccc1NC(=O)C[N@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000506808091 915558906 /nfs/dbraw/zinc/55/89/06/915558906.db2.gz VRKQJRVLBNHVKB-FNORWQNLSA-N 1 2 418.291 4.249 20 5 HIBDLO Cc1cc(Br)ccc1NC(=O)C[N@@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000506808091 915558927 /nfs/dbraw/zinc/55/89/27/915558927.db2.gz VRKQJRVLBNHVKB-FNORWQNLSA-N 1 2 418.291 4.249 20 5 HIBDLO COc1ccc(NC(=O)C[N@@H+]2C[C@@H](C)CC[C@H]2c2ccccc2OC)c([N+](=O)[O-])c1 ZINC000510215949 918762715 /nfs/dbraw/zinc/76/27/15/918762715.db2.gz XBMXELYFIIHFOG-KXBFYZLASA-N 1 2 413.474 4.024 20 5 HIBDLO COc1ccc(NC(=O)C[N@H+]2C[C@@H](C)CC[C@H]2c2ccccc2OC)c([N+](=O)[O-])c1 ZINC000510215949 918762730 /nfs/dbraw/zinc/76/27/30/918762730.db2.gz XBMXELYFIIHFOG-KXBFYZLASA-N 1 2 413.474 4.024 20 5 HIBDLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000511212486 919824175 /nfs/dbraw/zinc/82/41/75/919824175.db2.gz FOVDGQNWMYEVBG-KRWDZBQOSA-N 1 2 420.494 4.150 20 5 HIBDLO O=[N+]([O-])c1ccc(-c2nnc(C[NH2+][C@H](CCO)c3ccc(Cl)c(Cl)c3)o2)cc1 ZINC000512215165 920961917 /nfs/dbraw/zinc/96/19/17/920961917.db2.gz VRWLZCRWLHMDGD-MRXNPFEDSA-N 1 2 423.256 4.165 20 5 HIBDLO Cn1ccnc1[C@H]([NH2+]CCc1coc(-c2ccc(F)cc2)n1)c1cccc([N+](=O)[O-])c1 ZINC000513696832 922016589 /nfs/dbraw/zinc/01/65/89/922016589.db2.gz FEMWXRFNLYDGIB-HXUWFJFHSA-N 1 2 421.432 4.044 20 5 HIBDLO Cn1ccnc1[C@@H]([NH2+]CCOc1ccc(C(C)(C)C)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000513707736 922027418 /nfs/dbraw/zinc/02/74/18/922027418.db2.gz IEOWNSYSRGYQGP-NRFANRHFSA-N 1 2 408.502 4.384 20 5 HIBDLO Cc1ccc(Sc2ccc(C[N@H+](CCO)Cc3cccnc3)cc2[N+](=O)[O-])cc1 ZINC000513750852 922070850 /nfs/dbraw/zinc/07/08/50/922070850.db2.gz QLIWSXWQDNRQMN-UHFFFAOYSA-N 1 2 409.511 4.444 20 5 HIBDLO Cc1ccc(Sc2ccc(C[N@@H+](CCO)Cc3cccnc3)cc2[N+](=O)[O-])cc1 ZINC000513750852 922070860 /nfs/dbraw/zinc/07/08/60/922070860.db2.gz QLIWSXWQDNRQMN-UHFFFAOYSA-N 1 2 409.511 4.444 20 5 HIBDLO CC1CC[NH+](Cc2csc(NC(=O)CSCc3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000513813282 922137448 /nfs/dbraw/zinc/13/74/48/922137448.db2.gz AQIXISBAEFEFNY-UHFFFAOYSA-N 1 2 420.560 4.155 20 5 HIBDLO O=[N+]([O-])c1ccc(CCSc2nnc(C[NH+]3CCCCC3)n2-c2ccccc2)cc1 ZINC000515287885 923035721 /nfs/dbraw/zinc/03/57/21/923035721.db2.gz COYXSMFTVDIQSJ-UHFFFAOYSA-N 1 2 423.542 4.496 20 5 HIBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N(Cc1cccnc1)c1ccc(F)cc1 ZINC000515628332 923230500 /nfs/dbraw/zinc/23/05/00/923230500.db2.gz KQBDPXSYKGGLJY-UHFFFAOYSA-N 1 2 417.400 4.162 20 5 HIBDLO Cc1c(NC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cccc1[N+](=O)[O-] ZINC000530408744 930703984 /nfs/dbraw/zinc/70/39/84/930703984.db2.gz KFFLIHZLFLCNRY-SJLPKXTDSA-N 1 2 406.845 4.263 20 5 HIBDLO Cc1c(NC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cccc1[N+](=O)[O-] ZINC000530408744 930703995 /nfs/dbraw/zinc/70/39/95/930703995.db2.gz KFFLIHZLFLCNRY-SJLPKXTDSA-N 1 2 406.845 4.263 20 5 HIBDLO O=[N+]([O-])c1ccc(OCC[NH2+][C@H](c2nc(-c3ccccc3)no2)c2ccccc2)cc1 ZINC000531642637 931136536 /nfs/dbraw/zinc/13/65/36/931136536.db2.gz XMWDEIGLSGDLHE-NRFANRHFSA-N 1 2 416.437 4.403 20 5 HIBDLO C[C@@H](c1cccs1)[N@H+](C)CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000532473210 931452566 /nfs/dbraw/zinc/45/25/66/931452566.db2.gz ISNPRAAVBKIQLR-LBPRGKRZSA-N 1 2 402.501 4.411 20 5 HIBDLO C[C@@H](c1cccs1)[N@@H+](C)CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000532473210 931452570 /nfs/dbraw/zinc/45/25/70/931452570.db2.gz ISNPRAAVBKIQLR-LBPRGKRZSA-N 1 2 402.501 4.411 20 5 HIBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@H](c2ccccc2Cl)OC[C@@H]1C ZINC000533439714 931870403 /nfs/dbraw/zinc/87/04/03/931870403.db2.gz VZDPYCPKUXHEIR-MGPUTAFESA-N 1 2 417.893 4.347 20 5 HIBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@H](c2ccccc2Cl)OC[C@@H]1C ZINC000533439714 931870408 /nfs/dbraw/zinc/87/04/08/931870408.db2.gz VZDPYCPKUXHEIR-MGPUTAFESA-N 1 2 417.893 4.347 20 5 HIBDLO O=[N+]([O-])c1ccc(-c2nnc(C[NH+]3CCC(Oc4ccccc4Cl)CC3)o2)cc1 ZINC000533606976 931921201 /nfs/dbraw/zinc/92/12/01/931921201.db2.gz LKCMKTUGZKEZQP-UHFFFAOYSA-N 1 2 414.849 4.342 20 5 HIBDLO Cc1csc(Sc2ccc(C(=O)Nc3cc(C)[nH+]cc3C)cc2[N+](=O)[O-])n1 ZINC000534299550 932378479 /nfs/dbraw/zinc/37/84/79/932378479.db2.gz NEMGJVFMMDRORL-UHFFFAOYSA-N 1 2 400.485 4.197 20 5 HIBDLO O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000534553931 932560672 /nfs/dbraw/zinc/56/06/72/932560672.db2.gz JGKYIWJLUHHPSW-UHFFFAOYSA-N 1 2 415.453 4.337 20 5 HIBDLO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000534554250 932560899 /nfs/dbraw/zinc/56/08/99/932560899.db2.gz MLFISYLBYUYCMU-UHFFFAOYSA-N 1 2 413.437 4.103 20 5 HIBDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000535974337 933535805 /nfs/dbraw/zinc/53/58/05/933535805.db2.gz KWGPFCLPBWIJCK-HNNXBMFYSA-N 1 2 407.430 4.142 20 5 HIBDLO CC(C)[N@@H+]1CC[C@H](NC(=O)c2ccc(F)cc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000537494470 933796234 /nfs/dbraw/zinc/79/62/34/933796234.db2.gz ATUVWJNZXLGDDQ-PKOBYXMFSA-N 1 2 423.847 4.480 20 5 HIBDLO CC(C)[N@H+]1CC[C@H](NC(=O)c2ccc(F)cc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000537494470 933796240 /nfs/dbraw/zinc/79/62/40/933796240.db2.gz ATUVWJNZXLGDDQ-PKOBYXMFSA-N 1 2 423.847 4.480 20 5 HIBDLO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CC[C@H](n3cc(Cl)cn3)C2)cc1OC ZINC000563295666 945171847 /nfs/dbraw/zinc/17/18/47/945171847.db2.gz CLNIXZPAIPBKFI-PBHICJAKSA-N 1 2 422.913 4.325 20 5 HIBDLO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CC[C@H](n3cc(Cl)cn3)C2)cc1OC ZINC000563295666 945171852 /nfs/dbraw/zinc/17/18/52/945171852.db2.gz CLNIXZPAIPBKFI-PBHICJAKSA-N 1 2 422.913 4.325 20 5 HIBDLO CC[N@@H+]1CC[C@@H](NC(=O)NCc2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538054332 938487814 /nfs/dbraw/zinc/48/78/14/938487814.db2.gz QTBIVAZRDKBPSX-MJGOQNOKSA-N 1 2 420.872 4.022 20 5 HIBDLO CC[N@H+]1CC[C@@H](NC(=O)NCc2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538054332 938487815 /nfs/dbraw/zinc/48/78/15/938487815.db2.gz QTBIVAZRDKBPSX-MJGOQNOKSA-N 1 2 420.872 4.022 20 5 HIBDLO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000538196925 938550346 /nfs/dbraw/zinc/55/03/46/938550346.db2.gz AOMMUTQXJOGSMZ-UHFFFAOYSA-N 1 2 410.499 4.270 20 5 HIBDLO Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)c1 ZINC000538425068 938617288 /nfs/dbraw/zinc/61/72/88/938617288.db2.gz ZTQODLJWOPKCFW-UHFFFAOYSA-N 1 2 418.453 4.226 20 5 HIBDLO CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000538827492 938720917 /nfs/dbraw/zinc/72/09/17/938720917.db2.gz CTKMXHHWZVTCEX-ZDUSSCGKSA-N 1 2 400.422 4.140 20 5 HIBDLO CC(C)(C)OC(=O)C[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000538827492 938720920 /nfs/dbraw/zinc/72/09/20/938720920.db2.gz CTKMXHHWZVTCEX-ZDUSSCGKSA-N 1 2 400.422 4.140 20 5 HIBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539701741 938907150 /nfs/dbraw/zinc/90/71/50/938907150.db2.gz BGXZTXCPUNUBCJ-RTBURBONSA-N 1 2 420.872 4.045 20 5 HIBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539701741 938907156 /nfs/dbraw/zinc/90/71/56/938907156.db2.gz BGXZTXCPUNUBCJ-RTBURBONSA-N 1 2 420.872 4.045 20 5 HIBDLO CC(C)[N@@H+]1CC[C@H](NC(=O)c2csc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540802019 939377965 /nfs/dbraw/zinc/37/79/65/939377965.db2.gz YUNUHZJMUUMGFN-RDJZCZTQSA-N 1 2 411.886 4.403 20 5 HIBDLO CC(C)[N@H+]1CC[C@H](NC(=O)c2csc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540802019 939377970 /nfs/dbraw/zinc/37/79/70/939377970.db2.gz YUNUHZJMUUMGFN-RDJZCZTQSA-N 1 2 411.886 4.403 20 5 HIBDLO Cc1nc(NCc2cccc(C(=O)NCCCCc3ccc([N+](=O)[O-])cc3)c2)cc[nH+]1 ZINC000541671594 939596785 /nfs/dbraw/zinc/59/67/85/939596785.db2.gz GOFCNJAKTFTYAK-UHFFFAOYSA-N 1 2 419.485 4.058 20 5 HIBDLO C[C@](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)(c1ccc(F)cc1)C(F)(F)F ZINC000541941028 939658736 /nfs/dbraw/zinc/65/87/36/939658736.db2.gz GHWZVUSUNJGDSC-SFHVURJKSA-N 1 2 422.338 4.127 20 5 HIBDLO COc1cccc([C@H]2C[C@@H](C)CN2C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1 ZINC000543373589 940045493 /nfs/dbraw/zinc/04/54/93/940045493.db2.gz VDYZNZVFWSXMKK-FOIQADDNSA-N 1 2 406.442 4.012 20 5 HIBDLO Cc1cnc([C@H](C)[NH2+][C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)s1 ZINC000543547686 940103711 /nfs/dbraw/zinc/10/37/11/940103711.db2.gz SFJSNWBRSYQVST-NEPJUHHUSA-N 1 2 417.516 4.161 20 5 HIBDLO Cc1nc([C@H]2CCC[N@H+](Cc3ccc(Oc4ccc(F)cc4)c([N+](=O)[O-])c3)C2)n[nH]1 ZINC000543623744 940138971 /nfs/dbraw/zinc/13/89/71/940138971.db2.gz JRIYACVINYEBAT-INIZCTEOSA-N 1 2 411.437 4.332 20 5 HIBDLO Cc1nc([C@H]2CCC[N@@H+](Cc3ccc(Oc4ccc(F)cc4)c([N+](=O)[O-])c3)C2)n[nH]1 ZINC000543623744 940138979 /nfs/dbraw/zinc/13/89/79/940138979.db2.gz JRIYACVINYEBAT-INIZCTEOSA-N 1 2 411.437 4.332 20 5 HIBDLO CC[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C)c1nc(C(F)(F)F)cs1 ZINC000544455940 940438594 /nfs/dbraw/zinc/43/85/94/940438594.db2.gz ZPGWJTYOQGZUDV-NSHDSACASA-N 1 2 402.398 4.058 20 5 HIBDLO Cc1cccn2cc(Cc3noc([C@H](C)Oc4ccc(Cl)cc4[N+](=O)[O-])n3)[nH+]c12 ZINC000544598359 940487529 /nfs/dbraw/zinc/48/75/29/940487529.db2.gz FWIOHJCDNUYZER-LBPRGKRZSA-N 1 2 413.821 4.318 20 5 HIBDLO C[C@H]1CO[C@@H](c2noc(/C=C\c3ccccc3[N+](=O)[O-])n2)C[N@@H+]1Cc1ccccc1 ZINC000546514322 940840543 /nfs/dbraw/zinc/84/05/43/940840543.db2.gz IMPLRAKWMMRNTF-OQVWFOMZSA-N 1 2 406.442 4.110 20 5 HIBDLO C[C@H]1CO[C@@H](c2noc(/C=C\c3ccccc3[N+](=O)[O-])n2)C[N@H+]1Cc1ccccc1 ZINC000546514322 940840545 /nfs/dbraw/zinc/84/05/45/940840545.db2.gz IMPLRAKWMMRNTF-OQVWFOMZSA-N 1 2 406.442 4.110 20 5 HIBDLO Cc1c(NC(=O)[C@@H](C)Nc2cccc3c2CN(c2cccc[nH+]2)C3)cccc1[N+](=O)[O-] ZINC000550067966 941278462 /nfs/dbraw/zinc/27/84/62/941278462.db2.gz DZHUCQNXOHBCEN-MRXNPFEDSA-N 1 2 417.469 4.258 20 5 HIBDLO Cc1cccn2cc(Cc3noc(-c4cc([N+](=O)[O-])ccc4C(F)(F)F)n3)[nH+]c12 ZINC000551354212 941459693 /nfs/dbraw/zinc/45/96/93/941459693.db2.gz QQRVPBMUQMESQV-UHFFFAOYSA-N 1 2 403.320 4.211 20 5 HIBDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000551599388 941509674 /nfs/dbraw/zinc/50/96/74/941509674.db2.gz PQMIKOHWQXFZAZ-UHFFFAOYSA-N 1 2 410.518 4.033 20 5 HIBDLO Cn1ccnc1[C@@H]([NH2+]C[C@H](c1ccccc1)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000552066343 941578340 /nfs/dbraw/zinc/57/83/40/941578340.db2.gz GHXWDUBVPDUJOZ-MSOLQXFVSA-N 1 2 404.392 4.353 20 5 HIBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC000555008600 942353687 /nfs/dbraw/zinc/35/36/87/942353687.db2.gz CLXLNXAFOJBQGY-MRXNPFEDSA-N 1 2 412.490 4.077 20 5 HIBDLO O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1N1CC[NH+](Cc2ccsc2)CC1 ZINC000560007650 944127637 /nfs/dbraw/zinc/12/76/37/944127637.db2.gz HBCDGGNNRBGXBX-UHFFFAOYSA-N 1 2 422.379 4.028 20 5 HIBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000561135244 944475178 /nfs/dbraw/zinc/47/51/78/944475178.db2.gz CPSDQMLFDMLFJZ-AQNXPRMDSA-N 1 2 402.454 4.189 20 5 HIBDLO Cc1cc(N(CCn2cc[nH+]c2)Cc2ccc(Br)o2)ccc1[N+](=O)[O-] ZINC000561337113 944556251 /nfs/dbraw/zinc/55/62/51/944556251.db2.gz BJZIBPTWPCMPGM-UHFFFAOYSA-N 1 2 405.252 4.162 20 5 HIBDLO CN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1nc2cc(Cl)ccc2s1 ZINC000435971133 861234824 /nfs/dbraw/zinc/23/48/24/861234824.db2.gz XUDOQSOCEGRNFI-UHFFFAOYSA-N 1 2 413.846 4.320 20 5 HIBDLO COc1cc(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)cc([N+](=O)[O-])c1OC ZINC000436158002 861458025 /nfs/dbraw/zinc/45/80/25/861458025.db2.gz BVZZXYMTMAJPMC-UHFFFAOYSA-N 1 2 422.441 4.064 20 5 HIBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000008202252 845491937 /nfs/dbraw/zinc/49/19/37/845491937.db2.gz FRFQCGOIXYHOPJ-UHFFFAOYSA-N 1 2 410.499 4.331 20 5 HIBDLO CC1CC[NH+](Cc2csc(NC(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)n2)CC1 ZINC000014526496 845956911 /nfs/dbraw/zinc/95/69/11/845956911.db2.gz MVSMVACSPYTGDZ-UHFFFAOYSA-N 1 2 415.519 4.110 20 5 HIBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CC(=O)NC(c1ccccc1)c1ccccc1 ZINC000015548909 846062372 /nfs/dbraw/zinc/06/23/72/846062372.db2.gz ZNHNGTRBCTWYMK-SFHVURJKSA-N 1 2 403.482 4.493 20 5 HIBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CC(=O)NC(c1ccccc1)c1ccccc1 ZINC000015548909 846062376 /nfs/dbraw/zinc/06/23/76/846062376.db2.gz ZNHNGTRBCTWYMK-SFHVURJKSA-N 1 2 403.482 4.493 20 5 HIBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+](Cc1ccc(OC(F)F)c(OC)c1)C1CC1 ZINC000016423788 846170200 /nfs/dbraw/zinc/17/02/00/846170200.db2.gz AZNVVIBZNDMAPA-UHFFFAOYSA-N 1 2 408.401 4.378 20 5 HIBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+](Cc1ccc(OC(F)F)c(OC)c1)C1CC1 ZINC000016423788 846170204 /nfs/dbraw/zinc/17/02/04/846170204.db2.gz AZNVVIBZNDMAPA-UHFFFAOYSA-N 1 2 408.401 4.378 20 5 HIBDLO C[C@H](c1nnc(SCc2cccc([N+](=O)[O-])c2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000022876458 846630698 /nfs/dbraw/zinc/63/06/98/846630698.db2.gz HFOMVKOKXIWOTF-CYBMUJFWSA-N 1 2 401.467 4.230 20 5 HIBDLO C[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1ccc(Br)cc1 ZINC000023819425 846752312 /nfs/dbraw/zinc/75/23/12/846752312.db2.gz WFOGGJUKHGBSBX-UHFFFAOYSA-N 1 2 403.236 4.039 20 5 HIBDLO C[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1ccc(Br)cc1 ZINC000023819425 846752320 /nfs/dbraw/zinc/75/23/20/846752320.db2.gz WFOGGJUKHGBSBX-UHFFFAOYSA-N 1 2 403.236 4.039 20 5 HIBDLO CSc1ccc(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)cc1[N+](=O)[O-] ZINC000028677486 847445908 /nfs/dbraw/zinc/44/59/08/847445908.db2.gz LDTIPPKAFKCIEE-GFCCVEGCSA-N 1 2 406.533 4.257 20 5 HIBDLO CSc1ccc(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)cc1[N+](=O)[O-] ZINC000028677486 847445918 /nfs/dbraw/zinc/44/59/18/847445918.db2.gz LDTIPPKAFKCIEE-GFCCVEGCSA-N 1 2 406.533 4.257 20 5 HIBDLO CC1CCN(c2ccc(C(=O)Nc3ccc(-n4cc[nH+]c4)cc3)cc2[N+](=O)[O-])CC1 ZINC000030608504 847743748 /nfs/dbraw/zinc/74/37/48/847743748.db2.gz FOONHAVUMFHISL-UHFFFAOYSA-N 1 2 405.458 4.269 20 5 HIBDLO Cc1c(C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000031895307 847962761 /nfs/dbraw/zinc/96/27/61/847962761.db2.gz OXSKMXLHISWKGI-SFHVURJKSA-N 1 2 405.857 4.263 20 5 HIBDLO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000032964420 848096729 /nfs/dbraw/zinc/09/67/29/848096729.db2.gz OQUHLDRJPISQNS-UHFFFAOYSA-N 1 2 408.285 4.250 20 5 HIBDLO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000032964420 848096735 /nfs/dbraw/zinc/09/67/35/848096735.db2.gz OQUHLDRJPISQNS-UHFFFAOYSA-N 1 2 408.285 4.250 20 5 HIBDLO O=C(Nc1cccc(OCc2cccnc2)c1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000046536408 848869574 /nfs/dbraw/zinc/86/95/74/848869574.db2.gz AOEKEZJGBQRUTD-UHFFFAOYSA-N 1 2 415.409 4.007 20 5 HIBDLO C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)Cc1cccc(C(F)(F)F)c1 ZINC000053111147 849667266 /nfs/dbraw/zinc/66/72/66/849667266.db2.gz XJYAJSZNQYLTND-UHFFFAOYSA-N 1 2 401.772 4.338 20 5 HIBDLO C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)Cc1cccc(C(F)(F)F)c1 ZINC000053111147 849667273 /nfs/dbraw/zinc/66/72/73/849667273.db2.gz XJYAJSZNQYLTND-UHFFFAOYSA-N 1 2 401.772 4.338 20 5 HIBDLO CCc1cc(NC2CCN(c3cccc[nH+]3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000053562397 849732054 /nfs/dbraw/zinc/73/20/54/849732054.db2.gz ONMXVWHQAMXFBT-UHFFFAOYSA-N 1 2 404.474 4.090 20 5 HIBDLO Cc1ccc(C[NH2+][C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)cn1 ZINC000056171941 850271029 /nfs/dbraw/zinc/27/10/29/850271029.db2.gz IZORMYXRAAJCRA-FQEVSTJZSA-N 1 2 410.861 4.421 20 5 HIBDLO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1ncn(Cc2cccc(F)c2)n1 ZINC000437094418 862283610 /nfs/dbraw/zinc/28/36/10/862283610.db2.gz VOUOGFPAQRKTBT-QGZVFWFLSA-N 1 2 415.494 4.034 20 5 HIBDLO C[C@@H](c1cccc(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1)[NH+]1CCOCC1 ZINC000437156482 862349114 /nfs/dbraw/zinc/34/91/14/862349114.db2.gz PLFBNYJTVJYQEL-ZDUSSCGKSA-N 1 2 423.391 4.259 20 5 HIBDLO COc1cc(C[N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)ccc1SC ZINC000116205093 853291976 /nfs/dbraw/zinc/29/19/76/853291976.db2.gz DVPNFHJAXQZAJT-UHFFFAOYSA-N 1 2 409.895 4.049 20 5 HIBDLO COc1cc(C[N@@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)ccc1SC ZINC000116205093 853291984 /nfs/dbraw/zinc/29/19/84/853291984.db2.gz DVPNFHJAXQZAJT-UHFFFAOYSA-N 1 2 409.895 4.049 20 5 HIBDLO O=C(Nc1ccc2oc(C(F)(F)F)nc2c1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000147647562 853591954 /nfs/dbraw/zinc/59/19/54/853591954.db2.gz MBYFYAIGIRTPAR-UHFFFAOYSA-N 1 2 417.303 4.193 20 5 HIBDLO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000216988050 853859407 /nfs/dbraw/zinc/85/94/07/853859407.db2.gz RFWCLIPBFXDLKE-MRXNPFEDSA-N 1 2 414.531 4.167 20 5 HIBDLO CC(C)[C@H]([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1nnc2ccccn21 ZINC000236807268 853925788 /nfs/dbraw/zinc/92/57/88/853925788.db2.gz AZBIBMDBHSLWPR-SFHVURJKSA-N 1 2 408.487 4.248 20 5 HIBDLO CCCNC(=O)c1cccc(C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000236896522 853933990 /nfs/dbraw/zinc/93/39/90/853933990.db2.gz QJYFCINKAGCZQV-UHFFFAOYSA-N 1 2 410.499 4.148 20 5 HIBDLO C[C@@H]([NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)c1nnc2ccccn21 ZINC000237406462 854025731 /nfs/dbraw/zinc/02/57/31/854025731.db2.gz DJNQDLKFHSFVIQ-CQSZACIVSA-N 1 2 407.405 4.420 20 5 HIBDLO COc1ccc(-c2ccc(C[NH2+]Cc3cn4cc(Cl)ccc4n3)o2)c([N+](=O)[O-])c1 ZINC000237422126 854029415 /nfs/dbraw/zinc/02/94/15/854029415.db2.gz RUERHHHCCYLUQR-UHFFFAOYSA-N 1 2 412.833 4.454 20 5 HIBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(Cc2ccc(Br)s2)CC1 ZINC000302745848 854619676 /nfs/dbraw/zinc/61/96/76/854619676.db2.gz FWTLZZYKDSYMQZ-ZDUSSCGKSA-N 1 2 410.337 4.298 20 5 HIBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410267728 855891776 /nfs/dbraw/zinc/89/17/76/855891776.db2.gz SAANCTMFEAEMIS-JKSUJKDBSA-N 1 2 414.531 4.014 20 5 HIBDLO C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@@H+]1CC[C@H]1c1ccccc1 ZINC000437574647 862893655 /nfs/dbraw/zinc/89/36/55/862893655.db2.gz DESHEZAUCLKUDA-KUHUBIRLSA-N 1 2 408.483 4.492 20 5 HIBDLO C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@H+]1CC[C@H]1c1ccccc1 ZINC000437574647 862893656 /nfs/dbraw/zinc/89/36/56/862893656.db2.gz DESHEZAUCLKUDA-KUHUBIRLSA-N 1 2 408.483 4.492 20 5 HIBDLO C[C@H]1CC[S@@](=O)CC[N@@H+]1Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000433034955 859491831 /nfs/dbraw/zinc/49/18/31/859491831.db2.gz VAVGTCFYDOEDNE-PGGUUEOZSA-N 1 2 408.907 4.383 20 5 HIBDLO C[C@H]1CC[S@@](=O)CC[N@H+]1Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000433034955 859491838 /nfs/dbraw/zinc/49/18/38/859491838.db2.gz VAVGTCFYDOEDNE-PGGUUEOZSA-N 1 2 408.907 4.383 20 5 HIBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC=C(c2ccc(Cl)cc2)CC1 ZINC000434250416 860229484 /nfs/dbraw/zinc/22/94/84/860229484.db2.gz QGOZUHMVVJDSSR-UHFFFAOYSA-N 1 2 408.845 4.363 20 5 HIBDLO CCCCn1c(SCc2nc3cc([N+](=O)[O-])ccc3o2)nnc1[C@@H](CC)[NH+](C)C ZINC000434805244 860501131 /nfs/dbraw/zinc/50/11/31/860501131.db2.gz WGPSHJWWXXACQX-OAHLLOKOSA-N 1 2 418.523 4.433 20 5 HIBDLO C[C@@H]1[C@@H](c2ccccc2)CC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000434907127 860550126 /nfs/dbraw/zinc/55/01/26/860550126.db2.gz WBMJLHCBLHBEJK-CJNGLKHVSA-N 1 2 418.291 4.174 20 5 HIBDLO C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000434907127 860550132 /nfs/dbraw/zinc/55/01/32/860550132.db2.gz WBMJLHCBLHBEJK-CJNGLKHVSA-N 1 2 418.291 4.174 20 5 HIBDLO C[N@H+](CCOCC1CC1)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000438527320 863952327 /nfs/dbraw/zinc/95/23/27/863952327.db2.gz IXZRFHRSOXFBQZ-FQEVSTJZSA-N 1 2 417.893 4.286 20 5 HIBDLO C[N@@H+](CCOCC1CC1)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000438527320 863952349 /nfs/dbraw/zinc/95/23/49/863952349.db2.gz IXZRFHRSOXFBQZ-FQEVSTJZSA-N 1 2 417.893 4.286 20 5 HIBDLO Cc1c(CC(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000439048336 864500159 /nfs/dbraw/zinc/50/01/59/864500159.db2.gz BWVOTUDWMJSRTA-LJQANCHMSA-N 1 2 419.884 4.192 20 5 HIBDLO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000439122220 864558497 /nfs/dbraw/zinc/55/84/97/864558497.db2.gz HSHKERRIDISBQF-GASCZTMLSA-N 1 2 417.893 4.418 20 5 HIBDLO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000439122220 864558505 /nfs/dbraw/zinc/55/85/05/864558505.db2.gz HSHKERRIDISBQF-GASCZTMLSA-N 1 2 417.893 4.418 20 5 HIBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N(Cc1ccsc1)c1cccnc1 ZINC000440729916 865878378 /nfs/dbraw/zinc/87/83/78/865878378.db2.gz PLRJFFAJALLTFC-UHFFFAOYSA-N 1 2 405.439 4.084 20 5 HIBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](c1cccc(Cl)c1)c1ccccn1 ZINC000441015912 866083783 /nfs/dbraw/zinc/08/37/83/866083783.db2.gz LPADAEZEFSPAQR-NRFANRHFSA-N 1 2 410.861 4.269 20 5 HIBDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)c(C)c1 ZINC000441484730 866565466 /nfs/dbraw/zinc/56/54/66/866565466.db2.gz BADVQNKVWRXBAN-HXUWFJFHSA-N 1 2 412.877 4.162 20 5 HIBDLO C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccc(Br)s1 ZINC000468168884 882045746 /nfs/dbraw/zinc/04/57/46/882045746.db2.gz INPNVZTXWVDLKL-SNVBAGLBSA-N 1 2 421.276 4.096 20 5 HIBDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)c3c(C)cc(Cl)cc3[N+](=O)[O-])CC2)c1 ZINC000446089308 870036339 /nfs/dbraw/zinc/03/63/39/870036339.db2.gz DPRJUNGPTZABLT-HNNXBMFYSA-N 1 2 417.893 4.084 20 5 HIBDLO C[C@H]1OCC[C@]12C[N@H+](Cc1ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c1)C[C@@H](C)O2 ZINC000448369800 872320346 /nfs/dbraw/zinc/32/03/46/872320346.db2.gz CAYIIHRVEJIRMQ-MCFFVMPBSA-N 1 2 416.449 4.295 20 5 HIBDLO C[C@H]1OCC[C@]12C[N@@H+](Cc1ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c1)C[C@@H](C)O2 ZINC000448369800 872320364 /nfs/dbraw/zinc/32/03/64/872320364.db2.gz CAYIIHRVEJIRMQ-MCFFVMPBSA-N 1 2 416.449 4.295 20 5 HIBDLO Cc1cc(S(=O)(=O)Nc2cccc3c2C[N@H+]([C@@H](C)C(C)C)C3)ccc1[N+](=O)[O-] ZINC000462352444 875466823 /nfs/dbraw/zinc/46/68/23/875466823.db2.gz NJQDWFYPLHGXJI-HNNXBMFYSA-N 1 2 403.504 4.064 20 5 HIBDLO Cc1cc(S(=O)(=O)Nc2cccc3c2C[N@@H+]([C@@H](C)C(C)C)C3)ccc1[N+](=O)[O-] ZINC000462352444 875466827 /nfs/dbraw/zinc/46/68/27/875466827.db2.gz NJQDWFYPLHGXJI-HNNXBMFYSA-N 1 2 403.504 4.064 20 5 HIBDLO Cc1ccc(S(=O)(=O)Nc2cccc3c2C[N@H+]([C@H](C)C(C)C)C3)cc1[N+](=O)[O-] ZINC000462381367 875492872 /nfs/dbraw/zinc/49/28/72/875492872.db2.gz VFVSKUDYVXVZGD-OAHLLOKOSA-N 1 2 403.504 4.064 20 5 HIBDLO Cc1ccc(S(=O)(=O)Nc2cccc3c2C[N@@H+]([C@H](C)C(C)C)C3)cc1[N+](=O)[O-] ZINC000462381367 875492879 /nfs/dbraw/zinc/49/28/79/875492879.db2.gz VFVSKUDYVXVZGD-OAHLLOKOSA-N 1 2 403.504 4.064 20 5 HIBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000463040266 876065593 /nfs/dbraw/zinc/06/55/93/876065593.db2.gz USDRMOUZNQXMLR-SJLPKXTDSA-N 1 2 401.532 4.130 20 5 HIBDLO Cc1c(Cl)cccc1NC(=O)[C@@H](C)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464771934 878015374 /nfs/dbraw/zinc/01/53/74/878015374.db2.gz DGEDLJSJYVRAHL-OAHLLOKOSA-N 1 2 417.893 4.427 20 5 HIBDLO O=C(NCCCn1cc[nH+]c1)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000466777454 880556065 /nfs/dbraw/zinc/55/60/65/880556065.db2.gz LNMOHBPISQZJRW-UHFFFAOYSA-N 1 2 416.890 4.416 20 5 HIBDLO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H](c1cccc(F)c1)c1cccc(Br)c1 ZINC000470556096 884969784 /nfs/dbraw/zinc/96/97/84/884969784.db2.gz MHCXWZXWMNNSAZ-QGZVFWFLSA-N 1 2 419.254 4.109 20 5 HIBDLO CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000471033657 885541105 /nfs/dbraw/zinc/54/11/05/885541105.db2.gz ANPYUWHKTZGFIB-UHFFFAOYSA-N 1 2 404.426 4.161 20 5 HIBDLO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000504087965 912997796 /nfs/dbraw/zinc/99/77/96/912997796.db2.gz IPMTXAFWWMFXQN-UHFFFAOYSA-N 1 2 410.499 4.272 20 5 HIBDLO Cc1cc(Br)c(F)cc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000471552772 886261773 /nfs/dbraw/zinc/26/17/73/886261773.db2.gz VQUZCFAEBVVXBD-UHFFFAOYSA-N 1 2 419.210 4.243 20 5 HIBDLO COc1cccc(C=C2CC[NH+](Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)c1 ZINC000472943708 887792370 /nfs/dbraw/zinc/79/23/70/887792370.db2.gz OWNLEYKFDVJIBK-UHFFFAOYSA-N 1 2 406.442 4.333 20 5 HIBDLO COc1cccc(C=C2CC[NH+]([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)CC2)c1 ZINC000473025000 887850487 /nfs/dbraw/zinc/85/04/87/887850487.db2.gz RGEXALRORDVUSV-KRWDZBQOSA-N 1 2 409.486 4.418 20 5 HIBDLO O=C1CCC[C@H]1[C@@H]1COCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000475126471 889987773 /nfs/dbraw/zinc/98/77/73/889987773.db2.gz AXAXJZAPNPYZHE-WMZOPIPTSA-N 1 2 404.850 4.078 20 5 HIBDLO O=C1CCC[C@H]1[C@@H]1COCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000475126471 889987786 /nfs/dbraw/zinc/98/77/86/889987786.db2.gz AXAXJZAPNPYZHE-WMZOPIPTSA-N 1 2 404.850 4.078 20 5 HIBDLO C[C@H]1C[N@H+](Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C[C@@]2(CCOC2)O1 ZINC000475630715 890570324 /nfs/dbraw/zinc/57/03/24/890570324.db2.gz IKTKQWVNALMKRJ-YCRPNKLZSA-N 1 2 418.877 4.420 20 5 HIBDLO C[C@H]1C[N@@H+](Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C[C@@]2(CCOC2)O1 ZINC000475630715 890570335 /nfs/dbraw/zinc/57/03/35/890570335.db2.gz IKTKQWVNALMKRJ-YCRPNKLZSA-N 1 2 418.877 4.420 20 5 HIBDLO C[C@@H](c1nnc(SCc2ccc([N+](=O)[O-])cc2F)n1-c1ccc(F)cc1)[NH+](C)C ZINC000476475386 891385569 /nfs/dbraw/zinc/38/55/69/891385569.db2.gz DLDFUVJBXQKJNJ-LBPRGKRZSA-N 1 2 419.457 4.369 20 5 HIBDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000477370466 892331847 /nfs/dbraw/zinc/33/18/47/892331847.db2.gz CASZNLWOHSNQPM-UHFFFAOYSA-N 1 2 416.909 4.330 20 5 HIBDLO COc1cc(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)cc([N+](=O)[O-])c1C ZINC000478864906 894144410 /nfs/dbraw/zinc/14/44/10/894144410.db2.gz LMYFHYJXUSHMDB-UHFFFAOYSA-N 1 2 404.426 4.079 20 5 HIBDLO Cc1cc([NH+]2CCCC2)ccc1Nc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000480399480 895803608 /nfs/dbraw/zinc/80/36/08/895803608.db2.gz XDJWLFKUOUWQHK-UHFFFAOYSA-N 1 2 405.458 4.212 20 5 HIBDLO O=C(N[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000505483980 914165596 /nfs/dbraw/zinc/16/55/96/914165596.db2.gz NYXQUZAFYVWHNR-GDBMZVCRSA-N 1 2 416.359 4.085 20 5 HIBDLO CCc1c(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cnn1-c1cccc(C)c1 ZINC000482701192 898300327 /nfs/dbraw/zinc/30/03/27/898300327.db2.gz VCJYKPFSOPSNMY-UHFFFAOYSA-N 1 2 416.441 4.089 20 5 HIBDLO COc1cc(C[NH2+][C@@H](C)c2c(F)cccc2F)c([N+](=O)[O-])cc1OCC(F)F ZINC000505581419 914290000 /nfs/dbraw/zinc/29/00/00/914290000.db2.gz MRWABGNSWZCANT-JTQLQIEISA-N 1 2 402.344 4.376 20 5 HIBDLO CCOC(=O)c1csc([C@@H]2CCC[N@@H+]2C/C(C)=C\c2cccc([N+](=O)[O-])c2)n1 ZINC000483400076 899034672 /nfs/dbraw/zinc/03/46/72/899034672.db2.gz CNNZFXMPYSPOGA-BLSFAOBESA-N 1 2 401.488 4.468 20 5 HIBDLO CCOC(=O)c1csc([C@@H]2CCC[N@H+]2C/C(C)=C\c2cccc([N+](=O)[O-])c2)n1 ZINC000483400076 899034686 /nfs/dbraw/zinc/03/46/86/899034686.db2.gz CNNZFXMPYSPOGA-BLSFAOBESA-N 1 2 401.488 4.468 20 5 HIBDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000483978607 899622205 /nfs/dbraw/zinc/62/22/05/899622205.db2.gz PZIYYDFZJQBXNT-UHFFFAOYSA-N 1 2 414.290 4.189 20 5 HIBDLO CN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@H](c1ccccc1)C(F)(F)F ZINC000485251544 900536753 /nfs/dbraw/zinc/53/67/53/900536753.db2.gz CMZQDKUMDLRYHF-QGZVFWFLSA-N 1 2 404.348 4.156 20 5 HIBDLO O=C(Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000488463261 902837780 /nfs/dbraw/zinc/83/77/80/902837780.db2.gz SMTBGILZFLERAL-UHFFFAOYSA-N 1 2 408.748 4.288 20 5 HIBDLO C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000490208121 903828881 /nfs/dbraw/zinc/82/88/81/903828881.db2.gz UHVMIISBIVBGBF-AWEZNQCLSA-N 1 2 403.429 4.057 20 5 HIBDLO C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000490208121 903828885 /nfs/dbraw/zinc/82/88/85/903828885.db2.gz UHVMIISBIVBGBF-AWEZNQCLSA-N 1 2 403.429 4.057 20 5 HIBDLO CC1CCN(c2ccc(C(=O)Nc3ccc(-n4cc[nH+]c4)c(F)c3)cc2[N+](=O)[O-])CC1 ZINC000490537916 904084287 /nfs/dbraw/zinc/08/42/87/904084287.db2.gz CWQXLGQVHGHNEC-UHFFFAOYSA-N 1 2 423.448 4.408 20 5 HIBDLO O=C(NCC[C@H](c1ccccc1)C(F)(F)F)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000490874385 904298492 /nfs/dbraw/zinc/29/84/92/904298492.db2.gz FEUVWPTVGOMEQO-MRXNPFEDSA-N 1 2 418.375 4.247 20 5 HIBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]Cc2ccncc2OCc2ccccc2)c1 ZINC000512568771 921242571 /nfs/dbraw/zinc/24/25/71/921242571.db2.gz JWZHAOJSSLZNDE-UHFFFAOYSA-N 1 2 415.396 4.460 20 5 HIBDLO O=C(CCc1c[nH]c[nH+]1)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 ZINC000498388415 907874683 /nfs/dbraw/zinc/87/46/83/907874683.db2.gz OCDZUFJZJGSOOX-UHFFFAOYSA-N 1 2 418.812 4.152 20 5 HIBDLO O=C(CCc1c[nH+]c[nH]1)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 ZINC000498388415 907874688 /nfs/dbraw/zinc/87/46/88/907874688.db2.gz OCDZUFJZJGSOOX-UHFFFAOYSA-N 1 2 418.812 4.152 20 5 HIBDLO COc1cccc(C2CC[NH+](CC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CC2)c1 ZINC000498684576 908112943 /nfs/dbraw/zinc/11/29/43/908112943.db2.gz PQBUZMPZJYZGFZ-UHFFFAOYSA-N 1 2 403.866 4.075 20 5 HIBDLO Cc1ccc(C)n1C1CC[NH+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000499022174 908397403 /nfs/dbraw/zinc/39/74/03/908397403.db2.gz ZFLJNSIFVMXDGM-HNNXBMFYSA-N 1 2 404.898 4.331 20 5 HIBDLO Cc1nn(-c2ccccc2F)c(C)c1[C@@H]1COCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000502362946 911348960 /nfs/dbraw/zinc/34/89/60/911348960.db2.gz DIZMTGACKQSAGG-QFIPXVFZSA-N 1 2 424.476 4.152 20 5 HIBDLO Cc1nn(-c2ccccc2F)c(C)c1[C@@H]1COCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000502362946 911348982 /nfs/dbraw/zinc/34/89/82/911348982.db2.gz DIZMTGACKQSAGG-QFIPXVFZSA-N 1 2 424.476 4.152 20 5 HIBDLO CN(C)C(=O)[C@H]1CCC[N@@H+]1Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000506309277 914899358 /nfs/dbraw/zinc/89/93/58/914899358.db2.gz NCOWTLSHNSQFLY-MRXNPFEDSA-N 1 2 403.866 4.093 20 5 HIBDLO CN(C)C(=O)[C@H]1CCC[N@H+]1Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000506309277 914899362 /nfs/dbraw/zinc/89/93/62/914899362.db2.gz NCOWTLSHNSQFLY-MRXNPFEDSA-N 1 2 403.866 4.093 20 5 HIBDLO O=C(NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000506333083 914944355 /nfs/dbraw/zinc/94/43/55/914944355.db2.gz WBGFEKGOUPBYMO-UHFFFAOYSA-N 1 2 424.284 4.002 20 5 HIBDLO CCc1ccccc1NC(=O)C[N@H+](C)Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000506790368 915519039 /nfs/dbraw/zinc/51/90/39/915519039.db2.gz ZNRPVDFBANHGIJ-UHFFFAOYSA-N 1 2 423.469 4.496 20 5 HIBDLO CCc1ccccc1NC(=O)C[N@@H+](C)Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000506790368 915519057 /nfs/dbraw/zinc/51/90/57/915519057.db2.gz ZNRPVDFBANHGIJ-UHFFFAOYSA-N 1 2 423.469 4.496 20 5 HIBDLO O=C(NCCCc1cccc(C(F)(F)F)c1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000506970547 915776979 /nfs/dbraw/zinc/77/69/79/915776979.db2.gz IXINHWGQMTXRPD-UHFFFAOYSA-N 1 2 418.375 4.162 20 5 HIBDLO Cc1ccc([C@@H](C)NC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1[N+](=O)[O-] ZINC000507583681 916338828 /nfs/dbraw/zinc/33/88/28/916338828.db2.gz JQSRWKWPQFKDAG-AEFFLSMTSA-N 1 2 411.506 4.086 20 5 HIBDLO CCc1ccc([C@H]([NH2+]Cc2ccccc2Cn2cncn2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000508739396 917498377 /nfs/dbraw/zinc/49/83/77/917498377.db2.gz KAFQWMYYSGPTKB-HSZRJFAPSA-N 1 2 417.469 4.269 20 5 HIBDLO CC(C)n1c2ccccc2nc1[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000510692084 919129292 /nfs/dbraw/zinc/12/92/92/919129292.db2.gz YNKMCQDYFGQADI-KRWDZBQOSA-N 1 2 421.501 4.344 20 5 HIBDLO CC(C)n1c2ccccc2nc1[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000510692084 919129297 /nfs/dbraw/zinc/12/92/97/919129297.db2.gz YNKMCQDYFGQADI-KRWDZBQOSA-N 1 2 421.501 4.344 20 5 HIBDLO COc1ccc(NC(=O)C[NH+]2CCC([C@@H](F)c3ccccc3F)CC2)c([N+](=O)[O-])c1 ZINC000511081691 919684056 /nfs/dbraw/zinc/68/40/56/919684056.db2.gz OCFIXLQZFBHEOW-OAQYLSRUSA-N 1 2 419.428 4.104 20 5 HIBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC([C@H](F)c2ccccc2F)CC1 ZINC000511097222 919701232 /nfs/dbraw/zinc/70/12/32/919701232.db2.gz UVAICKSDPGTPIQ-XOBRGWDASA-N 1 2 403.429 4.484 20 5 HIBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC([C@@H](F)c2ccccc2F)CC1 ZINC000511123071 919735467 /nfs/dbraw/zinc/73/54/67/919735467.db2.gz OVBODUNLDJUCIB-OAQYLSRUSA-N 1 2 419.428 4.104 20 5 HIBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC[C@](F)(c2cccc(Cl)c2)C1 ZINC000512361390 921103059 /nfs/dbraw/zinc/10/30/59/921103059.db2.gz AXVQADPLZIYUDF-HXUWFJFHSA-N 1 2 414.824 4.145 20 5 HIBDLO Cn1ccnc1[C@@H]([NH2+]CCOc1ccc(C(C)(C)C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000513708764 922029095 /nfs/dbraw/zinc/02/90/95/922029095.db2.gz WZVNASKAYPMCNE-NRFANRHFSA-N 1 2 408.502 4.384 20 5 HIBDLO Cc1c(NC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cccc1[N+](=O)[O-] ZINC000530408741 930703064 /nfs/dbraw/zinc/70/30/64/930703064.db2.gz KFFLIHZLFLCNRY-AEFFLSMTSA-N 1 2 406.845 4.263 20 5 HIBDLO Cc1c(NC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cccc1[N+](=O)[O-] ZINC000530408741 930703065 /nfs/dbraw/zinc/70/30/65/930703065.db2.gz KFFLIHZLFLCNRY-AEFFLSMTSA-N 1 2 406.845 4.263 20 5 HIBDLO Cc1c(NC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cccc1[N+](=O)[O-] ZINC000530408745 930703525 /nfs/dbraw/zinc/70/35/25/930703525.db2.gz KFFLIHZLFLCNRY-WMZOPIPTSA-N 1 2 406.845 4.263 20 5 HIBDLO Cc1c(NC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cccc1[N+](=O)[O-] ZINC000530408745 930703535 /nfs/dbraw/zinc/70/35/35/930703535.db2.gz KFFLIHZLFLCNRY-WMZOPIPTSA-N 1 2 406.845 4.263 20 5 HIBDLO CC[N@@H+]1CC[C@@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000530466450 930721124 /nfs/dbraw/zinc/72/11/24/930721124.db2.gz ADKPPEQDDBZNNG-VQIMIIECSA-N 1 2 422.407 4.278 20 5 HIBDLO CC[N@H+]1CC[C@@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000530466450 930721129 /nfs/dbraw/zinc/72/11/29/930721129.db2.gz ADKPPEQDDBZNNG-VQIMIIECSA-N 1 2 422.407 4.278 20 5 HIBDLO CCOc1ccc(NC(=O)C[N@H+](C)Cc2ccccc2C(F)(F)F)c([N+](=O)[O-])c1 ZINC000532751762 931622413 /nfs/dbraw/zinc/62/24/13/931622413.db2.gz KARQMFDGRYRNJV-UHFFFAOYSA-N 1 2 411.380 4.083 20 5 HIBDLO CCOc1ccc(NC(=O)C[N@@H+](C)Cc2ccccc2C(F)(F)F)c([N+](=O)[O-])c1 ZINC000532751762 931622417 /nfs/dbraw/zinc/62/24/17/931622417.db2.gz KARQMFDGRYRNJV-UHFFFAOYSA-N 1 2 411.380 4.083 20 5 HIBDLO Cc1nc(C(C)C)sc1[C@H](C)[N@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000534476353 932506604 /nfs/dbraw/zinc/50/66/04/932506604.db2.gz NNMRCOYNCUCDAF-AWEZNQCLSA-N 1 2 402.520 4.065 20 5 HIBDLO Cc1nc(C(C)C)sc1[C@H](C)[N@@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000534476353 932506619 /nfs/dbraw/zinc/50/66/19/932506619.db2.gz NNMRCOYNCUCDAF-AWEZNQCLSA-N 1 2 402.520 4.065 20 5 HIBDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000537828072 938385331 /nfs/dbraw/zinc/38/53/31/938385331.db2.gz SEPHFPXGZXLAQT-UHFFFAOYSA-N 1 2 406.433 4.334 20 5 HIBDLO Cc1ccc([C@H](C)[NH2+]Cc2nnc(-c3ccc(Br)o3)o2)cc1[N+](=O)[O-] ZINC000538276083 938581154 /nfs/dbraw/zinc/58/11/54/938581154.db2.gz DOEVGGUBVFAQQV-JTQLQIEISA-N 1 2 407.224 4.160 20 5 HIBDLO C[C@@H]([NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(Br)cc1 ZINC000539247680 938825157 /nfs/dbraw/zinc/82/51/57/938825157.db2.gz KLOFHXYSRQXJMM-LLVKDONJSA-N 1 2 403.236 4.258 20 5 HIBDLO C[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)Cc1ccc(S(C)(=O)=O)cc1 ZINC000539817908 938942081 /nfs/dbraw/zinc/94/20/81/938942081.db2.gz VQYUNMXQCKRQJX-UHFFFAOYSA-N 1 2 416.524 4.359 20 5 HIBDLO C[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)Cc1ccc(S(C)(=O)=O)cc1 ZINC000539817908 938942090 /nfs/dbraw/zinc/94/20/90/938942090.db2.gz VQYUNMXQCKRQJX-UHFFFAOYSA-N 1 2 416.524 4.359 20 5 HIBDLO COc1cc(C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)ccc1OCc1ccncc1 ZINC000539827288 938948140 /nfs/dbraw/zinc/94/81/40/938948140.db2.gz NTLOXBHGUXAGDH-UHFFFAOYSA-N 1 2 405.454 4.136 20 5 HIBDLO COc1cc(C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)ccc1OCc1ccncc1 ZINC000539827288 938948144 /nfs/dbraw/zinc/94/81/44/938948144.db2.gz NTLOXBHGUXAGDH-UHFFFAOYSA-N 1 2 405.454 4.136 20 5 HIBDLO Cc1onc(-c2ccccc2)c1-c1nnc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)o1 ZINC000540381596 939220333 /nfs/dbraw/zinc/22/03/33/939220333.db2.gz XEFIMDXPNHZQQY-ZDUSSCGKSA-N 1 2 405.414 4.459 20 5 HIBDLO CC[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c2cccc(Cl)c2O1 ZINC000541326713 939491012 /nfs/dbraw/zinc/49/10/12/939491012.db2.gz RDUUAHDQAFWOJJ-CQSZACIVSA-N 1 2 412.833 4.252 20 5 HIBDLO O=C(NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000541527874 939544632 /nfs/dbraw/zinc/54/46/32/939544632.db2.gz HJPMDAVVDWDDSF-UHFFFAOYSA-N 1 2 424.284 4.002 20 5 HIBDLO COc1ccc(NC(=O)C[NH2+][C@H](C)c2nc(-c3ccccc3)cs2)c([N+](=O)[O-])c1 ZINC000541660219 939592161 /nfs/dbraw/zinc/59/21/61/939592161.db2.gz IFPDTYVDPFPLNO-CYBMUJFWSA-N 1 2 412.471 4.016 20 5 HIBDLO C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000541777335 939627955 /nfs/dbraw/zinc/62/79/55/939627955.db2.gz ARKTWQDWYPGCBP-SSZFMOIBSA-N 1 2 406.442 4.038 20 5 HIBDLO C[N@@H+]1CCO[C@@H]([C@H](NCc2ccc([N+](=O)[O-])cc2Cl)c2ccc(Cl)cc2)C1 ZINC000543414206 940057841 /nfs/dbraw/zinc/05/78/41/940057841.db2.gz PRXRCLNOOHRYRL-RTBURBONSA-N 1 2 410.301 4.063 20 5 HIBDLO C[N@H+]1CCO[C@@H]([C@H](NCc2ccc([N+](=O)[O-])cc2Cl)c2ccc(Cl)cc2)C1 ZINC000543414206 940057844 /nfs/dbraw/zinc/05/78/44/940057844.db2.gz PRXRCLNOOHRYRL-RTBURBONSA-N 1 2 410.301 4.063 20 5 HIBDLO CN1CCO[C@@H]([C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)c2ccc(Cl)cc2)C1 ZINC000543414206 940057846 /nfs/dbraw/zinc/05/78/46/940057846.db2.gz PRXRCLNOOHRYRL-RTBURBONSA-N 1 2 410.301 4.063 20 5 HIBDLO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)c1nc(C(F)(F)F)cs1 ZINC000543497062 940085054 /nfs/dbraw/zinc/08/50/54/940085054.db2.gz SLYCGRXXGUFBIU-BXKDBHETSA-N 1 2 402.398 4.138 20 5 HIBDLO C[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1)c1ccc([N+](=O)[O-])cc1F ZINC000543579866 940118045 /nfs/dbraw/zinc/11/80/45/940118045.db2.gz FSQUZAJKXPPUAT-SYURPWHHSA-N 1 2 423.847 4.192 20 5 HIBDLO C[C@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1)c1ccc([N+](=O)[O-])cc1F ZINC000543579866 940118051 /nfs/dbraw/zinc/11/80/51/940118051.db2.gz FSQUZAJKXPPUAT-SYURPWHHSA-N 1 2 423.847 4.192 20 5 HIBDLO Cc1cc(C)c([N+](=O)[O-])c(Sc2nnc([C@H](C)[NH+](C)C)n2-c2ccc(F)cc2)n1 ZINC000543790623 940187543 /nfs/dbraw/zinc/18/75/43/940187543.db2.gz VEKRJHIZQNTJCK-ZDUSSCGKSA-N 1 2 416.482 4.100 20 5 HIBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)c1 ZINC000544033668 940305534 /nfs/dbraw/zinc/30/55/34/940305534.db2.gz IWAZITVCOKAASP-ZDUSSCGKSA-N 1 2 420.338 4.249 20 5 HIBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)c1 ZINC000544033668 940305540 /nfs/dbraw/zinc/30/55/40/940305540.db2.gz IWAZITVCOKAASP-ZDUSSCGKSA-N 1 2 420.338 4.249 20 5 HIBDLO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)N[C@H](C)c3ccc(C)c([N+](=O)[O-])c3)c2C1 ZINC000544813488 940516740 /nfs/dbraw/zinc/51/67/40/940516740.db2.gz VMXCFWMTDJRDDS-MRXNPFEDSA-N 1 2 418.497 4.320 20 5 HIBDLO CC[N@H+]1CCc2nc3ccccc3c(C(=O)N[C@H](C)c3ccc(C)c([N+](=O)[O-])c3)c2C1 ZINC000544813488 940516741 /nfs/dbraw/zinc/51/67/41/940516741.db2.gz VMXCFWMTDJRDDS-MRXNPFEDSA-N 1 2 418.497 4.320 20 5 HIBDLO Cn1c[nH+]cc1Cc1noc(-c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)n1 ZINC000545138687 940548229 /nfs/dbraw/zinc/54/82/29/940548229.db2.gz CLAVQSCZCZNUAN-UHFFFAOYSA-N 1 2 424.848 4.235 20 5 HIBDLO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])o2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000564029510 945357323 /nfs/dbraw/zinc/35/73/23/945357323.db2.gz LHBDWXFVMORTCM-PBHICJAKSA-N 1 2 409.845 4.324 20 5 HIBDLO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])o2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000564029510 945357339 /nfs/dbraw/zinc/35/73/39/945357339.db2.gz LHBDWXFVMORTCM-PBHICJAKSA-N 1 2 409.845 4.324 20 5 HIBDLO COc1cc(C[N@H+](Cc2ccccn2)C(C)C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000552084322 941581830 /nfs/dbraw/zinc/58/18/30/941581830.db2.gz OPJPXNPTCQDKRW-UHFFFAOYSA-N 1 2 413.396 4.350 20 5 HIBDLO COc1cc(C[N@@H+](Cc2ccccn2)C(C)C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000552084322 941581832 /nfs/dbraw/zinc/58/18/32/941581832.db2.gz OPJPXNPTCQDKRW-UHFFFAOYSA-N 1 2 413.396 4.350 20 5 HIBDLO Cn1ccnc1[C@@H]([NH2+]CCn1ccc2cc(Cl)ccc21)c1ccc([N+](=O)[O-])cc1 ZINC000552324690 941632004 /nfs/dbraw/zinc/63/20/04/941632004.db2.gz GOHJSEDHEBXSBP-FQEVSTJZSA-N 1 2 409.877 4.316 20 5 HIBDLO CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000554834274 942272056 /nfs/dbraw/zinc/27/20/56/942272056.db2.gz BIYPFTYPSNRJBA-AWEZNQCLSA-N 1 2 409.442 4.045 20 5 HIBDLO CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000554834274 942272064 /nfs/dbraw/zinc/27/20/64/942272064.db2.gz BIYPFTYPSNRJBA-AWEZNQCLSA-N 1 2 409.442 4.045 20 5 HIBDLO Cc1c(NC(=O)CC[N@@H+]2CC[C@](F)(c3cc(F)cc(F)c3)C2)cccc1[N+](=O)[O-] ZINC000556508439 942888038 /nfs/dbraw/zinc/88/80/38/942888038.db2.gz SJIBGELFYLRZPM-HXUWFJFHSA-N 1 2 407.392 4.081 20 5 HIBDLO Cc1c(NC(=O)CC[N@H+]2CC[C@](F)(c3cc(F)cc(F)c3)C2)cccc1[N+](=O)[O-] ZINC000556508439 942888045 /nfs/dbraw/zinc/88/80/45/942888045.db2.gz SJIBGELFYLRZPM-HXUWFJFHSA-N 1 2 407.392 4.081 20 5 HIBDLO COc1ccccc1[C@H](C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)OC(C)C ZINC000556890711 942953446 /nfs/dbraw/zinc/95/34/46/942953446.db2.gz QQHUPLBMJZQZSL-VXKWHMMOSA-N 1 2 424.501 4.182 20 5 HIBDLO Cc1ncsc1C[NH2+][C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000557152026 943033448 /nfs/dbraw/zinc/03/34/48/943033448.db2.gz OZPIUHWHVBOTKY-GOSISDBHSA-N 1 2 416.890 4.483 20 5 HIBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)c1 ZINC000558791835 943664649 /nfs/dbraw/zinc/66/46/49/943664649.db2.gz NEOPFEVOVYKJOT-UHFFFAOYSA-N 1 2 406.442 4.446 20 5 HIBDLO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000559499495 943986120 /nfs/dbraw/zinc/98/61/20/943986120.db2.gz GCMHFEWCKJGBFC-UHFFFAOYSA-N 1 2 401.220 4.308 20 5 HIBDLO CO[C@H](C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000560528433 944242916 /nfs/dbraw/zinc/24/29/16/944242916.db2.gz FXNJZOSAIHZPFD-MOPGFXCFSA-N 1 2 400.866 4.048 20 5 HIBDLO COc1cc(C[N@@H+]2C[C@]3(CCCO3)[C@@H]2C2CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000560627278 944279468 /nfs/dbraw/zinc/27/94/68/944279468.db2.gz FEZOSWOBFACFQN-BJKOFHAPSA-N 1 2 424.497 4.326 20 5 HIBDLO COc1cc(C[N@H+]2C[C@]3(CCCO3)[C@@H]2C2CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000560627278 944279477 /nfs/dbraw/zinc/27/94/77/944279477.db2.gz FEZOSWOBFACFQN-BJKOFHAPSA-N 1 2 424.497 4.326 20 5 HIBDLO CC[C@@H](c1ccc(F)cc1F)[NH+]1CCN(c2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000561207914 944514883 /nfs/dbraw/zinc/51/48/83/944514883.db2.gz KIDNEAFKTWOAFE-INIZCTEOSA-N 1 2 419.457 4.151 20 5 HIBDLO CC[C@H]([NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)c1nc(C(F)(F)F)cs1 ZINC000573139960 948086722 /nfs/dbraw/zinc/08/67/22/948086722.db2.gz UCRIHJPQOJHZDF-MNOVXSKESA-N 1 2 416.425 4.446 20 5 HIBDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)n2)C1 ZINC000024886760 846883295 /nfs/dbraw/zinc/88/32/95/846883295.db2.gz DCISMHXRZRPXHO-ZDUSSCGKSA-N 1 2 415.519 4.110 20 5 HIBDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)n2)C1 ZINC000024886760 846883301 /nfs/dbraw/zinc/88/33/01/846883301.db2.gz DCISMHXRZRPXHO-ZDUSSCGKSA-N 1 2 415.519 4.110 20 5 HIBDLO Cc1nc(-c2cccc(NC(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)c2)cs1 ZINC000032043182 847981159 /nfs/dbraw/zinc/98/11/59/847981159.db2.gz STSFTIQNOPHJIF-UHFFFAOYSA-N 1 2 405.439 4.465 20 5 HIBDLO CCOc1ccc([C@H](C)NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1OCC ZINC000032243573 847993692 /nfs/dbraw/zinc/99/36/92/847993692.db2.gz MCMNGQKJDYMIGK-HNNXBMFYSA-N 1 2 424.457 4.069 20 5 HIBDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@@H](C)O1 ZINC000046342073 848826620 /nfs/dbraw/zinc/82/66/20/848826620.db2.gz VHPVPTSWJNVYOY-ZIAGYGMSSA-N 1 2 403.866 4.110 20 5 HIBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000047274107 849018643 /nfs/dbraw/zinc/01/86/43/849018643.db2.gz GPBBJDAYHNMIET-UHFFFAOYSA-N 1 2 408.433 4.251 20 5 HIBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000047274107 849018644 /nfs/dbraw/zinc/01/86/44/849018644.db2.gz GPBBJDAYHNMIET-UHFFFAOYSA-N 1 2 408.433 4.251 20 5 HIBDLO Cc1cc(Br)ccc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000049930289 849333411 /nfs/dbraw/zinc/33/34/11/849333411.db2.gz FWYLESHLVJTMPR-UHFFFAOYSA-N 1 2 401.220 4.104 20 5 HIBDLO Cc1ccc(C(=O)C2CC[NH+](Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)CC2)cc1 ZINC000054317716 849847534 /nfs/dbraw/zinc/84/75/34/849847534.db2.gz DBTLSVHESWYDNK-UHFFFAOYSA-N 1 2 406.442 4.048 20 5 HIBDLO O=C(CCOc1ccccc1[N+](=O)[O-])Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000055388423 850010610 /nfs/dbraw/zinc/01/06/10/850010610.db2.gz QSTDYMHIEYGJJO-UHFFFAOYSA-N 1 2 406.442 4.202 20 5 HIBDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000437047514 862240835 /nfs/dbraw/zinc/24/08/35/862240835.db2.gz WODGJKNONMFKOZ-UHFFFAOYSA-N 1 2 408.458 4.115 20 5 HIBDLO COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)cc1SC ZINC000112532375 853230766 /nfs/dbraw/zinc/23/07/66/853230766.db2.gz JEXYTELUVJHYHP-UHFFFAOYSA-N 1 2 418.862 4.417 20 5 HIBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000117145618 853345831 /nfs/dbraw/zinc/34/58/31/853345831.db2.gz KUSJEBJOTFEKRV-CQSZACIVSA-N 1 2 408.433 4.332 20 5 HIBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000117145618 853345843 /nfs/dbraw/zinc/34/58/43/853345843.db2.gz KUSJEBJOTFEKRV-CQSZACIVSA-N 1 2 408.433 4.332 20 5 HIBDLO COc1ccc(Cl)cc1C[NH+]1CCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000195665065 853746543 /nfs/dbraw/zinc/74/65/43/853746543.db2.gz IAJURULVXLPYIA-UHFFFAOYSA-N 1 2 412.877 4.127 20 5 HIBDLO Cc1cc(Sc2nnc([C@H](C)[NH+](C)C)n2-c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000301130099 854306753 /nfs/dbraw/zinc/30/67/53/854306753.db2.gz ZTDAFJJHXKBFHZ-ZDUSSCGKSA-N 1 2 401.467 4.397 20 5 HIBDLO CN(C)c1ccc([NH+]2CCC(Nc3ccc([N+](=O)[O-])cc3OC(F)F)CC2)cc1 ZINC000302180073 854544034 /nfs/dbraw/zinc/54/40/34/854544034.db2.gz ZCLBMJCVVKBEIZ-UHFFFAOYSA-N 1 2 406.433 4.343 20 5 HIBDLO NC(=O)C1CC[NH+](c2ccc(Nc3c(Cl)cc([N+](=O)[O-])cc3Cl)cc2)CC1 ZINC000302326434 854561708 /nfs/dbraw/zinc/56/17/08/854561708.db2.gz YEWJAWZZZXAPNE-UHFFFAOYSA-N 1 2 409.273 4.347 20 5 HIBDLO CCOc1cc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)c([N+](=O)[O-])cc1OC ZINC000303051860 854739311 /nfs/dbraw/zinc/73/93/11/854739311.db2.gz VNURGIRDJLSLCI-UHFFFAOYSA-N 1 2 416.821 4.094 20 5 HIBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410330092 855932258 /nfs/dbraw/zinc/93/22/58/855932258.db2.gz WTDVKXSNJWGFHU-RTBURBONSA-N 1 2 410.518 4.103 20 5 HIBDLO O=C(Nc1cc(CCc2ccccc2)ccn1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000427227215 856723634 /nfs/dbraw/zinc/72/36/34/856723634.db2.gz LPPZVMNPGCNRDS-UHFFFAOYSA-N 1 2 413.437 4.213 20 5 HIBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@H+](CCc3ccccc3)Cc3cccnc3)n2)cc1 ZINC000429286262 857589813 /nfs/dbraw/zinc/58/98/13/857589813.db2.gz RACKWQXZVVWUDM-UHFFFAOYSA-N 1 2 415.453 4.285 20 5 HIBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+](CCc3ccccc3)Cc3cccnc3)n2)cc1 ZINC000429286262 857589820 /nfs/dbraw/zinc/58/98/20/857589820.db2.gz RACKWQXZVVWUDM-UHFFFAOYSA-N 1 2 415.453 4.285 20 5 HIBDLO CC[C@H](C)COc1cc([N+](=O)[O-])c(CN(C)Cc2cn3c([nH+]2)CCCC3)cc1OC ZINC000429561632 857751082 /nfs/dbraw/zinc/75/10/82/857751082.db2.gz WUVUHMOSZVULJH-INIZCTEOSA-N 1 2 416.522 4.193 20 5 HIBDLO O=C(Nc1ccc([N+](=O)[O-])cc1F)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000430377457 858139139 /nfs/dbraw/zinc/13/91/39/858139139.db2.gz NZGFILOAVDCVPN-UHFFFAOYSA-N 1 2 417.828 4.318 20 5 HIBDLO Cc1ccccc1Nc1nc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cs1 ZINC000440492278 865793051 /nfs/dbraw/zinc/79/30/51/865793051.db2.gz IUFUYFXOIUAYIT-HNNXBMFYSA-N 1 2 410.503 4.185 20 5 HIBDLO Cc1ccccc1Nc1nc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cs1 ZINC000440492278 865793058 /nfs/dbraw/zinc/79/30/58/865793058.db2.gz IUFUYFXOIUAYIT-HNNXBMFYSA-N 1 2 410.503 4.185 20 5 HIBDLO CCO[C@H](C)c1nc(CN2CC[NH+]([C@H](C)c3cccc([N+](=O)[O-])c3)CC2)cs1 ZINC000441346425 866417840 /nfs/dbraw/zinc/41/78/40/866417840.db2.gz ADFPMYHFXHTXAX-HZPDHXFCSA-N 1 2 404.536 4.028 20 5 HIBDLO CCO[C@@H](C)c1nc(CN2CC[NH+]([C@H](C)c3ccccc3[N+](=O)[O-])CC2)cs1 ZINC000441357813 866426790 /nfs/dbraw/zinc/42/67/90/866426790.db2.gz NBDRNVMTGZKRTP-CVEARBPZSA-N 1 2 404.536 4.028 20 5 HIBDLO CCNc1ccc(C(=O)N[C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC000441482224 866562326 /nfs/dbraw/zinc/56/23/26/866562326.db2.gz QPXKNZXWGDRUSS-HXUWFJFHSA-N 1 2 407.474 4.011 20 5 HIBDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])C1 ZINC000442814752 867684661 /nfs/dbraw/zinc/68/46/61/867684661.db2.gz VKYVOOYCQBISQT-INIZCTEOSA-N 1 2 422.510 4.499 20 5 HIBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000444173115 868649253 /nfs/dbraw/zinc/64/92/53/868649253.db2.gz SWZDEEIVQBUERK-WBVHZDCISA-N 1 2 417.893 4.114 20 5 HIBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000444173115 868649255 /nfs/dbraw/zinc/64/92/55/868649255.db2.gz SWZDEEIVQBUERK-WBVHZDCISA-N 1 2 417.893 4.114 20 5 HIBDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000444657244 868934912 /nfs/dbraw/zinc/93/49/12/868934912.db2.gz BRFDGKOBKJCLFU-KRWDZBQOSA-N 1 2 405.458 4.092 20 5 HIBDLO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000447670741 871599430 /nfs/dbraw/zinc/59/94/30/871599430.db2.gz KJLVCKQKQRPVGN-QGZVFWFLSA-N 1 2 401.488 4.176 20 5 HIBDLO O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1NC1CCN(c2cccc[nH+]2)CC1 ZINC000447674339 871606329 /nfs/dbraw/zinc/60/63/29/871606329.db2.gz BSSBBFLZRBMOJC-UHFFFAOYSA-N 1 2 417.338 4.120 20 5 HIBDLO O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1NCc1cc[nH+]c(N2CCCC2)c1 ZINC000447684017 871617103 /nfs/dbraw/zinc/61/71/03/871617103.db2.gz WCYPJYCQTICGQV-UHFFFAOYSA-N 1 2 417.338 4.251 20 5 HIBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N(Cc1ccc(F)cc1)CC(F)(F)F ZINC000460466758 873150189 /nfs/dbraw/zinc/15/01/89/873150189.db2.gz DZVKDHVMBNDCKA-UHFFFAOYSA-N 1 2 422.338 4.124 20 5 HIBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000462506589 875622591 /nfs/dbraw/zinc/62/25/91/875622591.db2.gz SHKZRQZXKGBCOG-GOSISDBHSA-N 1 2 408.458 4.078 20 5 HIBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC[C@H](CSc2ccccc2)C1 ZINC000464344706 877535939 /nfs/dbraw/zinc/53/59/39/877535939.db2.gz UCEHEXYQXGMIJV-INIZCTEOSA-N 1 2 408.483 4.035 20 5 HIBDLO CC(C)Oc1ccc(Cl)cc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000464664567 877884286 /nfs/dbraw/zinc/88/42/86/877884286.db2.gz BAOJFOIVPGFMRG-UHFFFAOYSA-N 1 2 400.822 4.473 20 5 HIBDLO C[C@@H](c1nnc(-c2cccs2)o1)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464776812 878018611 /nfs/dbraw/zinc/01/86/11/878018611.db2.gz OVBLIPZJUHUVOU-ZDUSSCGKSA-N 1 2 400.460 4.311 20 5 HIBDLO CSc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464781635 878027391 /nfs/dbraw/zinc/02/73/91/878027391.db2.gz UECPUPIOPMOOCF-OAHLLOKOSA-N 1 2 415.515 4.187 20 5 HIBDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)NCc3ccc([N+](=O)[O-])cc3Cl)n2)C1 ZINC000466474536 880256726 /nfs/dbraw/zinc/25/67/26/880256726.db2.gz PAXFVNKWVCWDAH-GFCCVEGCSA-N 1 2 423.926 4.258 20 5 HIBDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)NCc3ccc([N+](=O)[O-])cc3Cl)n2)C1 ZINC000466474536 880256739 /nfs/dbraw/zinc/25/67/39/880256739.db2.gz PAXFVNKWVCWDAH-GFCCVEGCSA-N 1 2 423.926 4.258 20 5 HIBDLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000466790694 880570326 /nfs/dbraw/zinc/57/03/26/880570326.db2.gz MRRQBVRQIWLVKX-CYBMUJFWSA-N 1 2 416.890 4.414 20 5 HIBDLO Cc1ccc(NC(=O)c2ccc(N3CC[C@H](C)[C@H](n4cc[nH+]c4)C3)c([N+](=O)[O-])c2)cc1 ZINC000469137021 883233266 /nfs/dbraw/zinc/23/32/66/883233266.db2.gz ZZUNORVUYDVFLS-HTAPYJJXSA-N 1 2 419.485 4.440 20 5 HIBDLO O=C(C[C@@H]1CCCCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccco1 ZINC000469257864 883355759 /nfs/dbraw/zinc/35/57/59/883355759.db2.gz VIHCMIZAGZQAAD-KRWDZBQOSA-N 1 2 422.441 4.031 20 5 HIBDLO CC(C)(C(=O)N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1)C(F)F ZINC000470847040 885344187 /nfs/dbraw/zinc/34/41/87/885344187.db2.gz CGIBXQMBSJYNEO-UHFFFAOYSA-N 1 2 423.485 4.259 20 5 HIBDLO CCCCn1c(SCc2nc3cc([N+](=O)[O-])ccc3[nH]2)nnc1[C@@H](CC)[NH+](C)C ZINC000473797413 888616919 /nfs/dbraw/zinc/61/69/19/888616919.db2.gz JCLMPJFGOUQNMJ-MRXNPFEDSA-N 1 2 417.539 4.168 20 5 HIBDLO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N(Cc1ccccc1)c1cc[nH+]cc1 ZINC000475017113 889869617 /nfs/dbraw/zinc/86/96/17/889869617.db2.gz MJOQALZDIJBVEL-UHFFFAOYSA-N 1 2 403.847 4.039 20 5 HIBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000475565367 890494282 /nfs/dbraw/zinc/49/42/82/890494282.db2.gz DQOIWZWPVSAWEK-LPHOPBHVSA-N 1 2 404.417 4.057 20 5 HIBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000475565367 890494288 /nfs/dbraw/zinc/49/42/88/890494288.db2.gz DQOIWZWPVSAWEK-LPHOPBHVSA-N 1 2 404.417 4.057 20 5 HIBDLO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccc(I)cc2Cl)c(F)c1 ZINC000475637512 890578893 /nfs/dbraw/zinc/57/88/93/890578893.db2.gz YBFUYTXJHROSDK-UHFFFAOYSA-N 1 2 420.609 4.282 20 5 HIBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000475641214 890582770 /nfs/dbraw/zinc/58/27/70/890582770.db2.gz SZNBNWHOAABPKC-CTNGQTDRSA-N 1 2 405.458 4.458 20 5 HIBDLO CC[N@H+](Cc1c([N+](=O)[O-])ncn1C)[C@H]1CCSc2ccc(Br)cc21 ZINC000475875177 890811000 /nfs/dbraw/zinc/81/10/00/890811000.db2.gz ROBNCCZUTKGONW-ZDUSSCGKSA-N 1 2 411.325 4.150 20 5 HIBDLO CC[N@@H+](Cc1c([N+](=O)[O-])ncn1C)[C@H]1CCSc2ccc(Br)cc21 ZINC000475875177 890811006 /nfs/dbraw/zinc/81/10/06/890811006.db2.gz ROBNCCZUTKGONW-ZDUSSCGKSA-N 1 2 411.325 4.150 20 5 HIBDLO CCOC[C@@H]1CC[N@@H+]([C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C1 ZINC000478047080 893191713 /nfs/dbraw/zinc/19/17/13/893191713.db2.gz LRMDFIBIQOCLNO-QRWLVFNGSA-N 1 2 417.893 4.286 20 5 HIBDLO CCOC[C@@H]1CC[N@H+]([C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C1 ZINC000478047080 893191735 /nfs/dbraw/zinc/19/17/35/893191735.db2.gz LRMDFIBIQOCLNO-QRWLVFNGSA-N 1 2 417.893 4.286 20 5 HIBDLO CCc1nc2c(s1)[C@H]([N@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])CCC2 ZINC000478057451 893213688 /nfs/dbraw/zinc/21/36/88/893213688.db2.gz WWAJWFPDTLXNCZ-CQSZACIVSA-N 1 2 408.911 4.215 20 5 HIBDLO CCc1nc2c(s1)[C@H]([N@@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])CCC2 ZINC000478057451 893213709 /nfs/dbraw/zinc/21/37/09/893213709.db2.gz WWAJWFPDTLXNCZ-CQSZACIVSA-N 1 2 408.911 4.215 20 5 HIBDLO C[N@@H+]1CC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1c1ccc(F)c(F)c1 ZINC000481200895 896554478 /nfs/dbraw/zinc/55/44/78/896554478.db2.gz PHBJCABTRVRIRP-SJORKVTESA-N 1 2 410.808 4.093 20 5 HIBDLO C[N@H+]1CC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1c1ccc(F)c(F)c1 ZINC000481200895 896554491 /nfs/dbraw/zinc/55/44/91/896554491.db2.gz PHBJCABTRVRIRP-SJORKVTESA-N 1 2 410.808 4.093 20 5 HIBDLO Cc1ccc(Sc2ccc(C[N@@H+]3CCc4n[nH]c(=O)cc4C3)cc2[N+](=O)[O-])cc1 ZINC000482276036 897765914 /nfs/dbraw/zinc/76/59/14/897765914.db2.gz IEXPIQIMGJLLCI-UHFFFAOYSA-N 1 2 408.483 4.108 20 5 HIBDLO Cc1ccc(Sc2ccc(C[N@H+]3CCc4n[nH]c(=O)cc4C3)cc2[N+](=O)[O-])cc1 ZINC000482276036 897765920 /nfs/dbraw/zinc/76/59/20/897765920.db2.gz IEXPIQIMGJLLCI-UHFFFAOYSA-N 1 2 408.483 4.108 20 5 HIBDLO C[C@@H]([NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)c1nc(-c2cccc(F)c2)no1 ZINC000483331579 898960224 /nfs/dbraw/zinc/96/02/24/898960224.db2.gz SJDTZTCBNAEYLE-CYBMUJFWSA-N 1 2 422.420 4.035 20 5 HIBDLO CC[C@@H](c1ccc(Br)cc1)[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000505605589 914310312 /nfs/dbraw/zinc/31/03/12/914310312.db2.gz DKPKDTLEXZLZGL-INIZCTEOSA-N 1 2 405.296 4.026 20 5 HIBDLO Cc1c([C@H](C)[NH2+]Cc2csc(CNC(=O)c3ccccc3)n2)cccc1[N+](=O)[O-] ZINC000484310119 899870389 /nfs/dbraw/zinc/87/03/89/899870389.db2.gz PIDNGGWMBVUNIJ-HNNXBMFYSA-N 1 2 410.499 4.141 20 5 HIBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)Cc1ccccc1N1CCCC1 ZINC000485824272 901070900 /nfs/dbraw/zinc/07/09/00/901070900.db2.gz WQNPZHPUEWAUHX-INIZCTEOSA-N 1 2 407.474 4.438 20 5 HIBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+](C)Cc1ccccc1N1CCCC1 ZINC000485824272 901070909 /nfs/dbraw/zinc/07/09/09/901070909.db2.gz WQNPZHPUEWAUHX-INIZCTEOSA-N 1 2 407.474 4.438 20 5 HIBDLO O=C(NCCCNc1cccc[nH+]1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000486737886 901821692 /nfs/dbraw/zinc/82/16/92/901821692.db2.gz BBLQGLKHTIRCLG-UHFFFAOYSA-N 1 2 408.483 4.373 20 5 HIBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCN([C@@H](C)c2nc(-c3ccccc3)no2)CC1 ZINC000489966110 903701351 /nfs/dbraw/zinc/70/13/51/903701351.db2.gz NTYZZHOGLJHRBV-MSOLQXFVSA-N 1 2 421.501 4.393 20 5 HIBDLO Cc1cc(C(=O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c(C)n1-c1nccs1 ZINC000490790349 904235454 /nfs/dbraw/zinc/23/54/54/904235454.db2.gz AXNPXZXLEFYBBX-UHFFFAOYSA-N 1 2 410.499 4.306 20 5 HIBDLO Cc1cc(C(=O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c(C)n1-c1nccs1 ZINC000490790349 904235470 /nfs/dbraw/zinc/23/54/70/904235470.db2.gz AXNPXZXLEFYBBX-UHFFFAOYSA-N 1 2 410.499 4.306 20 5 HIBDLO Cc1sc(C(=O)N[C@H]2CC[N@@H+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000494149226 905487834 /nfs/dbraw/zinc/48/78/34/905487834.db2.gz MZMRLAMYPKKCFP-MAUKXSAKSA-N 1 2 409.458 4.197 20 5 HIBDLO Cc1sc(C(=O)N[C@H]2CC[N@H+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000494149226 905487842 /nfs/dbraw/zinc/48/78/42/905487842.db2.gz MZMRLAMYPKKCFP-MAUKXSAKSA-N 1 2 409.458 4.197 20 5 HIBDLO Cc1cc(C)cc(-c2cc(NC(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)n[nH]2)c1 ZINC000512536047 921221692 /nfs/dbraw/zinc/22/16/92/921221692.db2.gz NRFGNOIZKFBKSA-UHFFFAOYSA-N 1 2 402.414 4.040 20 5 HIBDLO O=C(c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000512758542 921302549 /nfs/dbraw/zinc/30/25/49/921302549.db2.gz HLAMZAOXQIELIZ-ZDUSSCGKSA-N 1 2 422.407 4.166 20 5 HIBDLO CC1CC[NH+](Cc2csc(NC(=O)c3ccc([N+](=O)[O-])c4cccnc34)n2)CC1 ZINC000498874261 908272431 /nfs/dbraw/zinc/27/24/31/908272431.db2.gz OFOLLSRIAPIGAP-UHFFFAOYSA-N 1 2 411.487 4.084 20 5 HIBDLO C[C@@H]1CO[C@@H](c2ccccc2Cl)C[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000500069933 909541910 /nfs/dbraw/zinc/54/19/10/909541910.db2.gz LINPPKWZMQLPHC-AUUYWEPGSA-N 1 2 403.866 4.039 20 5 HIBDLO C[C@@H]1CO[C@@H](c2ccccc2Cl)C[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000500069933 909541946 /nfs/dbraw/zinc/54/19/46/909541946.db2.gz LINPPKWZMQLPHC-AUUYWEPGSA-N 1 2 403.866 4.039 20 5 HIBDLO O=C([C@@H]1CC=CCC1)N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000500746668 910055943 /nfs/dbraw/zinc/05/59/43/910055943.db2.gz VGXAJXSRZBTXMU-QGZVFWFLSA-N 1 2 411.527 4.324 20 5 HIBDLO O=C([C@H]1CC=CCC1)N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000500746665 910056161 /nfs/dbraw/zinc/05/61/61/910056161.db2.gz VGXAJXSRZBTXMU-KRWDZBQOSA-N 1 2 411.527 4.324 20 5 HIBDLO CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000501479041 910592788 /nfs/dbraw/zinc/59/27/88/910592788.db2.gz OJBCKORCHCSVQR-HUUCEWRRSA-N 1 2 415.515 4.178 20 5 HIBDLO CCCn1nccc1C1CC[NH+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000501502472 910613159 /nfs/dbraw/zinc/61/31/59/910613159.db2.gz JEDFVQLNEIKXJW-AWEZNQCLSA-N 1 2 419.913 4.061 20 5 HIBDLO CC1CCN(c2ccc(C(=O)Nc3ccc(-c4[nH]cc[nH+]4)cc3)cc2[N+](=O)[O-])CC1 ZINC000502567267 911573431 /nfs/dbraw/zinc/57/34/31/911573431.db2.gz DCPOEQKOSSZRJW-UHFFFAOYSA-N 1 2 405.458 4.474 20 5 HIBDLO COc1ccc(C[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC2CC2)c(OC)c1 ZINC000503198392 912177718 /nfs/dbraw/zinc/17/77/18/912177718.db2.gz DUMHRZTYYVGOOQ-UHFFFAOYSA-N 1 2 424.457 4.074 20 5 HIBDLO COc1ccc(C[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC2CC2)c(OC)c1 ZINC000503198392 912177732 /nfs/dbraw/zinc/17/77/32/912177732.db2.gz DUMHRZTYYVGOOQ-UHFFFAOYSA-N 1 2 424.457 4.074 20 5 HIBDLO COc1ccccc1C[NH+]1CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000513406588 921774617 /nfs/dbraw/zinc/77/46/17/921774617.db2.gz UTIQBSDABXMURP-UHFFFAOYSA-N 1 2 424.526 4.045 20 5 HIBDLO O=C(Nc1ccccn1)N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000511936408 920687381 /nfs/dbraw/zinc/68/73/81/920687381.db2.gz YMLWPQMUPAKUKZ-UHFFFAOYSA-N 1 2 423.498 4.068 20 5 HIBDLO O=[N+]([O-])c1ccc(-c2nnc(C[NH2+][C@@H](CCO)c3ccc(Cl)c(Cl)c3)o2)cc1 ZINC000512215164 920962985 /nfs/dbraw/zinc/96/29/85/920962985.db2.gz VRWLZCRWLHMDGD-INIZCTEOSA-N 1 2 423.256 4.165 20 5 HIBDLO Cn1ccnc1[C@@H]([NH2+]CCSCc1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC000513659372 921981007 /nfs/dbraw/zinc/98/10/07/921981007.db2.gz BRVFBMJJRAAKBV-IBGZPJMESA-N 1 2 400.479 4.080 20 5 HIBDLO Cn1ccnc1[C@H]([NH2+]CCOc1cccc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000513665211 921988361 /nfs/dbraw/zinc/98/83/61/921988361.db2.gz CYTZBKNSCNBLMZ-JOCHJYFZSA-N 1 2 402.454 4.240 20 5 HIBDLO Cn1ccnc1[C@H]([NH2+]CCOc1ccccc1C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000513702770 922021983 /nfs/dbraw/zinc/02/19/83/922021983.db2.gz MTSDMMNUFORDJQ-OAQYLSRUSA-N 1 2 408.502 4.384 20 5 HIBDLO COc1ccc(C[N@@H+]2C[C@]3(CCCO3)[C@@H]2C2CC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000521083840 928981781 /nfs/dbraw/zinc/98/17/81/928981781.db2.gz YIHMVPPEHOAXRA-BJKOFHAPSA-N 1 2 424.497 4.326 20 5 HIBDLO COc1ccc(C[N@H+]2C[C@]3(CCCO3)[C@@H]2C2CC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000521083840 928981788 /nfs/dbraw/zinc/98/17/88/928981788.db2.gz YIHMVPPEHOAXRA-BJKOFHAPSA-N 1 2 424.497 4.326 20 5 HIBDLO O=C(Nc1cc(F)ccc1OCC(F)(F)F)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000530976186 930874004 /nfs/dbraw/zinc/87/40/04/930874004.db2.gz OOCANPKPSOIZPC-UHFFFAOYSA-N 1 2 424.310 4.113 20 5 HIBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000532826963 931643866 /nfs/dbraw/zinc/64/38/66/931643866.db2.gz BUVCELUWIVCWRV-MRXNPFEDSA-N 1 2 417.893 4.286 20 5 HIBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000532826963 931643871 /nfs/dbraw/zinc/64/38/71/931643871.db2.gz BUVCELUWIVCWRV-MRXNPFEDSA-N 1 2 417.893 4.286 20 5 HIBDLO O=C(Nc1ccccc1)c1cccc(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000532914147 931690646 /nfs/dbraw/zinc/69/06/46/931690646.db2.gz HXVRKAMATOHLNC-UHFFFAOYSA-N 1 2 416.481 4.169 20 5 HIBDLO Cc1ccc2c(c1)[nH]cc2C1=CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000533029401 931746536 /nfs/dbraw/zinc/74/65/36/931746536.db2.gz DKHPIRSLBUEEAN-UHFFFAOYSA-N 1 2 404.470 4.421 20 5 HIBDLO Cc1ccc2c(c1)[nH]cc2C1=CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000533029401 931746541 /nfs/dbraw/zinc/74/65/41/931746541.db2.gz DKHPIRSLBUEEAN-UHFFFAOYSA-N 1 2 404.470 4.421 20 5 HIBDLO O=[N+]([O-])c1cccc(-c2cnc(CCN3CC[NH+](C/C=C/c4ccccc4)CC3)o2)c1 ZINC000533422177 931863478 /nfs/dbraw/zinc/86/34/78/931863478.db2.gz IQYKNQVLZVRRMW-VMPITWQZSA-N 1 2 418.497 4.123 20 5 HIBDLO C[N@@H+]1CC[C@@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000533681005 931967356 /nfs/dbraw/zinc/96/73/56/931967356.db2.gz JKEXEHJELWPIQB-WBVHZDCISA-N 1 2 412.248 4.216 20 5 HIBDLO C[N@H+]1CC[C@@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000533681005 931967360 /nfs/dbraw/zinc/96/73/60/931967360.db2.gz JKEXEHJELWPIQB-WBVHZDCISA-N 1 2 412.248 4.216 20 5 HIBDLO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000533984401 932161893 /nfs/dbraw/zinc/16/18/93/932161893.db2.gz BZHBDBSRLXDGIX-UHFFFAOYSA-N 1 2 413.437 4.173 20 5 HIBDLO CC[C@@H]([NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccccc1OC(F)F ZINC000538152145 938524163 /nfs/dbraw/zinc/52/41/63/938524163.db2.gz SOFKOTMATCQKJO-OAHLLOKOSA-N 1 2 404.373 4.487 20 5 HIBDLO CC[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540228653 939147970 /nfs/dbraw/zinc/14/79/70/939147970.db2.gz QJNQYPJKZVDEMF-MSOLQXFVSA-N 1 2 409.820 4.092 20 5 HIBDLO CC[N@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540228653 939147985 /nfs/dbraw/zinc/14/79/85/939147985.db2.gz QJNQYPJKZVDEMF-MSOLQXFVSA-N 1 2 409.820 4.092 20 5 HIBDLO CC[N@@H+]1CC[C@@H](NC(=O)NCc2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540254646 939172097 /nfs/dbraw/zinc/17/20/97/939172097.db2.gz OARIWMWAHFDGOJ-RTBURBONSA-N 1 2 420.872 4.022 20 5 HIBDLO CC[N@H+]1CC[C@@H](NC(=O)NCc2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540254646 939172115 /nfs/dbraw/zinc/17/21/15/939172115.db2.gz OARIWMWAHFDGOJ-RTBURBONSA-N 1 2 420.872 4.022 20 5 HIBDLO CC(C)COC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccco1 ZINC000541626011 939574248 /nfs/dbraw/zinc/57/42/48/939574248.db2.gz CNBNGXOKLRIIFL-SUMWQHHRSA-N 1 2 409.870 4.172 20 5 HIBDLO C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000541777334 939627789 /nfs/dbraw/zinc/62/77/89/939627789.db2.gz ARKTWQDWYPGCBP-DTQAZKPQSA-N 1 2 406.442 4.038 20 5 HIBDLO COc1cc(C[NH2+][C@@H](c2nc(C)cs2)C2CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000542546742 939841830 /nfs/dbraw/zinc/84/18/30/939841830.db2.gz GFNIUJVZIPTWFJ-QGZVFWFLSA-N 1 2 413.446 4.253 20 5 HIBDLO Cc1ccc([C@@H](C)NC(=O)c2cccc(CNc3cc[nH+]c(C)n3)c2)cc1[N+](=O)[O-] ZINC000542606970 939847877 /nfs/dbraw/zinc/84/78/77/939847877.db2.gz BBAYELDIXBHNMM-OAHLLOKOSA-N 1 2 405.458 4.105 20 5 HIBDLO CCc1ccc([C@@H]([NH2+]Cc2cccnc2-n2cccn2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000543403770 940053064 /nfs/dbraw/zinc/05/30/64/940053064.db2.gz UKFFUQSNLMRAFD-NRFANRHFSA-N 1 2 403.442 4.210 20 5 HIBDLO COC(=O)c1ccc([N+](=O)[O-])c(Nc2cccc(C[N@H+](C)Cc3cscn3)c2)c1 ZINC000543901462 940233682 /nfs/dbraw/zinc/23/36/82/940233682.db2.gz HNAQBJIVWWGDMY-UHFFFAOYSA-N 1 2 412.471 4.214 20 5 HIBDLO COC(=O)c1ccc([N+](=O)[O-])c(Nc2cccc(C[N@@H+](C)Cc3cscn3)c2)c1 ZINC000543901462 940233686 /nfs/dbraw/zinc/23/36/86/940233686.db2.gz HNAQBJIVWWGDMY-UHFFFAOYSA-N 1 2 412.471 4.214 20 5 HIBDLO CC[C@H]([NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C)c1nc(C(F)(F)F)cs1 ZINC000544461841 940441018 /nfs/dbraw/zinc/44/10/18/940441018.db2.gz RHGLQSNRUDMISE-NSHDSACASA-N 1 2 402.398 4.058 20 5 HIBDLO C[C@H](C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1)c1ccc([N+](=O)[O-])cc1F ZINC000544507538 940459864 /nfs/dbraw/zinc/45/98/64/940459864.db2.gz YIURFESROAWKFQ-STQMWFEESA-N 1 2 406.483 4.165 20 5 HIBDLO C[C@H](C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1)c1ccc([N+](=O)[O-])cc1F ZINC000544507538 940459869 /nfs/dbraw/zinc/45/98/69/940459869.db2.gz YIURFESROAWKFQ-STQMWFEESA-N 1 2 406.483 4.165 20 5 HIBDLO C[N@@H+]1CC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000544624425 940493022 /nfs/dbraw/zinc/49/30/22/940493022.db2.gz RJQBZBOBWSMIKL-SJORKVTESA-N 1 2 410.808 4.093 20 5 HIBDLO C[N@H+]1CC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000544624425 940493023 /nfs/dbraw/zinc/49/30/23/940493023.db2.gz RJQBZBOBWSMIKL-SJORKVTESA-N 1 2 410.808 4.093 20 5 HIBDLO C[C@H]1CO[C@@H](c2noc(/C=C/c3ccccc3[N+](=O)[O-])n2)C[N@@H+]1Cc1ccccc1 ZINC000546514321 940840482 /nfs/dbraw/zinc/84/04/82/940840482.db2.gz IMPLRAKWMMRNTF-ONHSTZBPSA-N 1 2 406.442 4.110 20 5 HIBDLO C[C@H]1CO[C@@H](c2noc(/C=C/c3ccccc3[N+](=O)[O-])n2)C[N@H+]1Cc1ccccc1 ZINC000546514321 940840483 /nfs/dbraw/zinc/84/04/83/940840483.db2.gz IMPLRAKWMMRNTF-ONHSTZBPSA-N 1 2 406.442 4.110 20 5 HIBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[NH2+][C@H](CO)c2ccccc2OC(F)(F)F)c1 ZINC000549615217 941201461 /nfs/dbraw/zinc/20/14/61/941201461.db2.gz UANAOWXADXMBAX-CQSZACIVSA-N 1 2 424.297 4.335 20 5 HIBDLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000549931874 941241760 /nfs/dbraw/zinc/24/17/60/941241760.db2.gz IMVGYBDZEZROAL-UHFFFAOYSA-N 1 2 414.409 4.308 20 5 HIBDLO C[C@H](C[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)Oc1cccc(Cl)c1 ZINC000552276007 941620500 /nfs/dbraw/zinc/62/05/00/941620500.db2.gz HWUFEFDSUGDSTI-AUUYWEPGSA-N 1 2 400.866 4.128 20 5 HIBDLO CCc1ccc([C@@H]2CCCN(C(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)C2)cc1 ZINC000553255166 941856984 /nfs/dbraw/zinc/85/69/84/941856984.db2.gz PQHFRUFQTILEID-HXUWFJFHSA-N 1 2 404.470 4.363 20 5 HIBDLO CC(=O)c1oc2ccccc2c1NC(=O)[C@@H](C)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000554834275 942271602 /nfs/dbraw/zinc/27/16/02/942271602.db2.gz BIYPFTYPSNRJBA-CQSZACIVSA-N 1 2 409.442 4.045 20 5 HIBDLO CC(=O)c1oc2ccccc2c1NC(=O)[C@@H](C)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000554834275 942271625 /nfs/dbraw/zinc/27/16/25/942271625.db2.gz BIYPFTYPSNRJBA-CQSZACIVSA-N 1 2 409.442 4.045 20 5 HIBDLO O=C(N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000556858600 942942277 /nfs/dbraw/zinc/94/22/77/942942277.db2.gz NZTINUAEDFASIU-WKILWMFISA-N 1 2 423.498 4.266 20 5 HIBDLO CO[C@@H](C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 ZINC000556885076 942951012 /nfs/dbraw/zinc/95/10/12/942951012.db2.gz LDADFVJOYHHKPI-RBUKOAKNSA-N 1 2 400.866 4.048 20 5 HIBDLO COc1cc(C[N@@H+]2CCC[C@@H]2c2cccnc2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000564312681 945510650 /nfs/dbraw/zinc/51/06/50/945510650.db2.gz IKWJAMIQSFDUOF-OAHLLOKOSA-N 1 2 411.380 4.277 20 5 HIBDLO COc1cc(C[N@H+]2CCC[C@@H]2c2cccnc2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000564312681 945510676 /nfs/dbraw/zinc/51/06/76/945510676.db2.gz IKWJAMIQSFDUOF-OAHLLOKOSA-N 1 2 411.380 4.277 20 5 HIBDLO C[C@H]1CN(c2cccc(Cl)c2)CC[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000573054535 948072827 /nfs/dbraw/zinc/07/28/27/948072827.db2.gz RVSPOBMGOBHQSY-AWEZNQCLSA-N 1 2 413.865 4.009 20 5 HIBDLO C[C@H]1CN(c2cccc(Cl)c2)CC[N@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000573054535 948072847 /nfs/dbraw/zinc/07/28/47/948072847.db2.gz RVSPOBMGOBHQSY-AWEZNQCLSA-N 1 2 413.865 4.009 20 5 HIBDLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000436063898 861346179 /nfs/dbraw/zinc/34/61/79/861346179.db2.gz IRJOOCHZBKFSHY-UHFFFAOYSA-N 1 2 416.387 4.398 20 5 HIBDLO CCOc1ccc(NC(=O)C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])c1 ZINC000016624062 846190867 /nfs/dbraw/zinc/19/08/67/846190867.db2.gz YPRDAELGFAGMEZ-UHFFFAOYSA-N 1 2 411.380 4.083 20 5 HIBDLO CCOc1ccc(NC(=O)C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])c1 ZINC000016624062 846190872 /nfs/dbraw/zinc/19/08/72/846190872.db2.gz YPRDAELGFAGMEZ-UHFFFAOYSA-N 1 2 411.380 4.083 20 5 HIBDLO C[C@H](c1nnc(Sc2ncccc2[N+](=O)[O-])n1-c1ccccc1)[NH+]1CCCCC1 ZINC000029004856 847492317 /nfs/dbraw/zinc/49/23/17/847492317.db2.gz RDORRCLPCQELFZ-OAHLLOKOSA-N 1 2 410.503 4.269 20 5 HIBDLO CN(Cc1ccc(Cl)cc1Cl)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032153529 847989550 /nfs/dbraw/zinc/98/95/50/847989550.db2.gz GXJKAGCHCHDKLA-UHFFFAOYSA-N 1 2 405.241 4.360 20 5 HIBDLO O=C(NCCc1ccc(Cl)cc1Cl)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000036764932 848160809 /nfs/dbraw/zinc/16/08/09/848160809.db2.gz JOLGHNAGCAPHPW-UHFFFAOYSA-N 1 2 405.241 4.060 20 5 HIBDLO O=[N+]([O-])c1ccc(Sc2nnc(C[NH+]3CCCCC3)n2-c2ccccc2)c(F)c1 ZINC000042097213 848285469 /nfs/dbraw/zinc/28/54/69/848285469.db2.gz GNQXCLNUESWMBK-UHFFFAOYSA-N 1 2 413.478 4.452 20 5 HIBDLO C[C@H](NC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000047570065 849074430 /nfs/dbraw/zinc/07/44/30/849074430.db2.gz XPQFAIPEDDFIMQ-BBWFWOEESA-N 1 2 412.490 4.087 20 5 HIBDLO C[C@H](NC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000047570065 849074440 /nfs/dbraw/zinc/07/44/40/849074440.db2.gz XPQFAIPEDDFIMQ-BBWFWOEESA-N 1 2 412.490 4.087 20 5 HIBDLO CC(C)C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1nc2ccccc2[nH]1 ZINC000058270614 850790426 /nfs/dbraw/zinc/79/04/26/850790426.db2.gz NHUWFURGRUEOFE-GOSISDBHSA-N 1 2 418.457 4.174 20 5 HIBDLO Cc1cccc(N2CC[NH+]([C@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)c1C ZINC000071805502 852407821 /nfs/dbraw/zinc/40/78/21/852407821.db2.gz MXHVTGITYMYGBT-QGZVFWFLSA-N 1 2 407.474 4.145 20 5 HIBDLO O=C1CCCN1C[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 ZINC000237695255 854077818 /nfs/dbraw/zinc/07/78/18/854077818.db2.gz BGVPIRFSIUCDGN-HNNXBMFYSA-N 1 2 413.421 4.128 20 5 HIBDLO O=C(NCCCCNc1cccc[nH+]1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000303294827 854857704 /nfs/dbraw/zinc/85/77/04/854857704.db2.gz XQLGOWUHPQXAKY-UHFFFAOYSA-N 1 2 406.442 4.404 20 5 HIBDLO Cc1c(NC(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)cccc1[N+](=O)[O-] ZINC000303499868 854988712 /nfs/dbraw/zinc/98/87/12/854988712.db2.gz UTAVOTCNXXKGFJ-MRXNPFEDSA-N 1 2 420.872 4.482 20 5 HIBDLO Cc1c(NC(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)cccc1[N+](=O)[O-] ZINC000303499868 854988724 /nfs/dbraw/zinc/98/87/24/854988724.db2.gz UTAVOTCNXXKGFJ-MRXNPFEDSA-N 1 2 420.872 4.482 20 5 HIBDLO O=C(Nc1ccc(F)cc1OCC(F)(F)F)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000303551242 855035517 /nfs/dbraw/zinc/03/55/17/855035517.db2.gz HGFJNRVHQJNLKR-UHFFFAOYSA-N 1 2 424.310 4.113 20 5 HIBDLO C[C@H](NC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1)c1cccc([N+](=O)[O-])c1 ZINC000426004827 856041698 /nfs/dbraw/zinc/04/16/98/856041698.db2.gz APVRVZBAWDHXBM-IWMITWMQSA-N 1 2 405.458 4.080 20 5 HIBDLO C[C@H](c1cccc(NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c1)[NH+]1CCOCC1 ZINC000426111217 856114895 /nfs/dbraw/zinc/11/48/95/856114895.db2.gz OETFKUMNFUYVCY-QGZVFWFLSA-N 1 2 424.501 4.185 20 5 HIBDLO CC[C@H](NC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000429070761 857493183 /nfs/dbraw/zinc/49/31/83/857493183.db2.gz DRHGNDRCSXRMAE-KKSFZXQISA-N 1 2 412.490 4.261 20 5 HIBDLO Cc1ccc([C@H](C)NC(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)cc1[N+](=O)[O-] ZINC000429077544 857498163 /nfs/dbraw/zinc/49/81/63/857498163.db2.gz VGMYFHNRLPFGLQ-IRXDYDNUSA-N 1 2 412.490 4.179 20 5 HIBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCN(c2cccc(F)c2)C[C@@H]1C ZINC000429261294 857580799 /nfs/dbraw/zinc/58/07/99/857580799.db2.gz FFKTZXPQCIIINK-LSDHHAIUSA-N 1 2 411.437 4.056 20 5 HIBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCN(c2cccc(F)c2)C[C@@H]1C ZINC000429261294 857580807 /nfs/dbraw/zinc/58/08/07/857580807.db2.gz FFKTZXPQCIIINK-LSDHHAIUSA-N 1 2 411.437 4.056 20 5 HIBDLO COc1ccc(C[N@H+](Cc2cnn(C)c2)Cc2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000430264879 858101955 /nfs/dbraw/zinc/10/19/55/858101955.db2.gz BVOTYDASFQWIME-UHFFFAOYSA-N 1 2 400.866 4.193 20 5 HIBDLO COc1ccc(C[N@@H+](Cc2cnn(C)c2)Cc2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000430264879 858101958 /nfs/dbraw/zinc/10/19/58/858101958.db2.gz BVOTYDASFQWIME-UHFFFAOYSA-N 1 2 400.866 4.193 20 5 HIBDLO C[C@H](c1cccc(NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)c1)[NH+]1CCOCC1 ZINC000431217339 858511133 /nfs/dbraw/zinc/51/11/33/858511133.db2.gz RLYZANPOOJUOTK-MRXNPFEDSA-N 1 2 412.490 4.045 20 5 HIBDLO CC1(C)Cc2ccc(Cl)c(NC(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)c2O1 ZINC000431223012 858513860 /nfs/dbraw/zinc/51/38/60/858513860.db2.gz QMUKVOIAZVXUMM-UHFFFAOYSA-N 1 2 412.833 4.400 20 5 HIBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCCC[C@H]1c1ccc(F)cc1F ZINC000432842765 859384107 /nfs/dbraw/zinc/38/41/07/859384107.db2.gz LNQTZNQCWHSLTR-SFHVURJKSA-N 1 2 412.396 4.426 20 5 HIBDLO C[C@@H]1CC[N@H+](Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC[S@@]1=O ZINC000433052405 859501689 /nfs/dbraw/zinc/50/16/89/859501689.db2.gz MFTOKKPDVCBZEM-ASHKIFAZSA-N 1 2 408.907 4.383 20 5 HIBDLO C[C@@H]1CC[N@@H+](Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC[S@@]1=O ZINC000433052405 859501694 /nfs/dbraw/zinc/50/16/94/859501694.db2.gz MFTOKKPDVCBZEM-ASHKIFAZSA-N 1 2 408.907 4.383 20 5 HIBDLO O=C(Nc1cnccc1-c1cccc(F)c1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000439668049 864998826 /nfs/dbraw/zinc/99/88/26/864998826.db2.gz TXHRGTDLWUWTKK-UHFFFAOYSA-N 1 2 403.373 4.234 20 5 HIBDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000441066668 866152346 /nfs/dbraw/zinc/15/23/46/866152346.db2.gz PBRQTYNZQXDGNI-MRXNPFEDSA-N 1 2 420.494 4.150 20 5 HIBDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)c(C)c1 ZINC000441487677 866568407 /nfs/dbraw/zinc/56/84/07/866568407.db2.gz FWTGGPHFTZMMLF-OAQYLSRUSA-N 1 2 419.485 4.154 20 5 HIBDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)c(C)c1 ZINC000442180202 867202071 /nfs/dbraw/zinc/20/20/71/867202071.db2.gz FTAYVBQGIRQKHW-NRFANRHFSA-N 1 2 403.442 4.061 20 5 HIBDLO O=C(Nc1ccccc1OCCn1cc[nH+]c1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000443867609 868399007 /nfs/dbraw/zinc/39/90/07/868399007.db2.gz JQHNZGCLWCISQD-UHFFFAOYSA-N 1 2 420.347 4.141 20 5 HIBDLO CCc1ccc(C[NH+]2CCN(C(=O)Nc3c(C)ccc([N+](=O)[O-])c3C)CC2)s1 ZINC000443973384 868502152 /nfs/dbraw/zinc/50/21/52/868502152.db2.gz ZQJOEWMSKCTLJG-UHFFFAOYSA-N 1 2 402.520 4.185 20 5 HIBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H](c2cccc(Cl)c2)OC[C@@H]1C ZINC000444708361 868968351 /nfs/dbraw/zinc/96/83/51/868968351.db2.gz QHMMBZCWJJAYMM-YWZLYKJASA-N 1 2 417.893 4.347 20 5 HIBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H](c2cccc(Cl)c2)OC[C@@H]1C ZINC000444708361 868968359 /nfs/dbraw/zinc/96/83/59/868968359.db2.gz QHMMBZCWJJAYMM-YWZLYKJASA-N 1 2 417.893 4.347 20 5 HIBDLO CC(C)n1nc(-c2ccco2)cc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000447859666 871780584 /nfs/dbraw/zinc/78/05/84/871780584.db2.gz YFCPDRIULCLGQY-UHFFFAOYSA-N 1 2 406.402 4.070 20 5 HIBDLO CS(=O)(=O)[C@H]1CCC[N@H+](Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 ZINC000462075626 875185247 /nfs/dbraw/zinc/18/52/47/875185247.db2.gz RCSDKJBPIUBJTQ-KRWDZBQOSA-N 1 2 424.906 4.050 20 5 HIBDLO CS(=O)(=O)[C@H]1CCC[N@@H+](Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 ZINC000462075626 875185256 /nfs/dbraw/zinc/18/52/56/875185256.db2.gz RCSDKJBPIUBJTQ-KRWDZBQOSA-N 1 2 424.906 4.050 20 5 HIBDLO Cc1ccc(S(=O)(=O)Nc2cccc3c2C[N@H+]([C@@H](C)C(C)C)C3)cc1[N+](=O)[O-] ZINC000462381366 875493448 /nfs/dbraw/zinc/49/34/48/875493448.db2.gz VFVSKUDYVXVZGD-HNNXBMFYSA-N 1 2 403.504 4.064 20 5 HIBDLO Cc1ccc(S(=O)(=O)Nc2cccc3c2C[N@@H+]([C@@H](C)C(C)C)C3)cc1[N+](=O)[O-] ZINC000462381366 875493458 /nfs/dbraw/zinc/49/34/58/875493458.db2.gz VFVSKUDYVXVZGD-HNNXBMFYSA-N 1 2 403.504 4.064 20 5 HIBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000463040264 876064710 /nfs/dbraw/zinc/06/47/10/876064710.db2.gz USDRMOUZNQXMLR-AEFFLSMTSA-N 1 2 401.532 4.130 20 5 HIBDLO CC(C)c1nc(C2([NH2+]CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)CCCC2)no1 ZINC000464740577 877976097 /nfs/dbraw/zinc/97/60/97/877976097.db2.gz YMSZFIGJRSAJII-UHFFFAOYSA-N 1 2 411.462 4.358 20 5 HIBDLO C[C@@H](c1nc(-c2cccs2)no1)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464781415 878027741 /nfs/dbraw/zinc/02/77/41/878027741.db2.gz ZFTRWGTVXJIHQD-ZDUSSCGKSA-N 1 2 400.460 4.311 20 5 HIBDLO Cc1cc(Cl)ccc1NC(=O)[C@H](C)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464782968 878030671 /nfs/dbraw/zinc/03/06/71/878030671.db2.gz DDSBYRLBTJIEBP-HNNXBMFYSA-N 1 2 417.893 4.427 20 5 HIBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000469160438 883256761 /nfs/dbraw/zinc/25/67/61/883256761.db2.gz VMAULRIDYBQOMH-SFHVURJKSA-N 1 2 410.518 4.103 20 5 HIBDLO CC(C)CCSc1ccc(C(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)cc1[N+](=O)[O-] ZINC000469424944 883605422 /nfs/dbraw/zinc/60/54/22/883605422.db2.gz USKAZHIUXJYLGF-SFHVURJKSA-N 1 2 415.515 4.422 20 5 HIBDLO COCCCC[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000471341031 885948380 /nfs/dbraw/zinc/94/83/80/885948380.db2.gz LKXQOFUEWJNUSA-LJQANCHMSA-N 1 2 408.458 4.068 20 5 HIBDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000473893614 888764007 /nfs/dbraw/zinc/76/40/07/888764007.db2.gz JVYLUTFLXGHVEH-UHFFFAOYSA-N 1 2 410.518 4.492 20 5 HIBDLO O=C1CCC[C@H]1[C@H]1COCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000475126469 889988326 /nfs/dbraw/zinc/98/83/26/889988326.db2.gz AXAXJZAPNPYZHE-FUHWJXTLSA-N 1 2 404.850 4.078 20 5 HIBDLO O=C1CCC[C@H]1[C@H]1COCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000475126469 889988346 /nfs/dbraw/zinc/98/83/46/889988346.db2.gz AXAXJZAPNPYZHE-FUHWJXTLSA-N 1 2 404.850 4.078 20 5 HIBDLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000475224596 890094252 /nfs/dbraw/zinc/09/42/52/890094252.db2.gz OIYUYHKIMRUJHX-UHFFFAOYSA-N 1 2 423.326 4.260 20 5 HIBDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)Nc3cc(C)c([N+](=O)[O-])cc3C)CC2)c1 ZINC000475579129 890507982 /nfs/dbraw/zinc/50/79/82/890507982.db2.gz FXIQIXYCEPBZML-KRWDZBQOSA-N 1 2 412.490 4.131 20 5 HIBDLO O=C(NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1)c1ccc([N+](=O)[O-])s1 ZINC000504813555 913532240 /nfs/dbraw/zinc/53/22/40/913532240.db2.gz MYGJGDXZLOWWJU-UHFFFAOYSA-N 1 2 418.478 4.498 20 5 HIBDLO CC(C)n1nc(-c2ccccc2)cc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000505282043 913940071 /nfs/dbraw/zinc/94/00/71/913940071.db2.gz VICKZIWJIYJYNG-UHFFFAOYSA-N 1 2 416.441 4.477 20 5 HIBDLO CCOc1cc(C[N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)ccc1OC(F)F ZINC000482693525 898293429 /nfs/dbraw/zinc/29/34/29/898293429.db2.gz NJSCSQBZOSDTFO-UHFFFAOYSA-N 1 2 406.389 4.103 20 5 HIBDLO CCOc1cc(C[N@@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)ccc1OC(F)F ZINC000482693525 898293443 /nfs/dbraw/zinc/29/34/43/898293443.db2.gz NJSCSQBZOSDTFO-UHFFFAOYSA-N 1 2 406.389 4.103 20 5 HIBDLO C[C@@H](c1cccc(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1)[NH+]1CCOCC1 ZINC000483059693 898737360 /nfs/dbraw/zinc/73/73/60/898737360.db2.gz MFBCRPUZSGDCSE-KRWDZBQOSA-N 1 2 424.501 4.185 20 5 HIBDLO O=C([C@H]1[C@@H]2CCC[C@@H]21)N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000483237956 898881467 /nfs/dbraw/zinc/88/14/67/898881467.db2.gz NYPQGWRADVDEMB-LFUKPOHLSA-N 1 2 411.527 4.014 20 5 HIBDLO CSc1cccc(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1[N+](=O)[O-] ZINC000485517403 900801490 /nfs/dbraw/zinc/80/14/90/900801490.db2.gz SCZAXIMEYMJSKP-WBVHZDCISA-N 1 2 423.897 4.284 20 5 HIBDLO CSc1cccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1[N+](=O)[O-] ZINC000485517403 900801493 /nfs/dbraw/zinc/80/14/93/900801493.db2.gz SCZAXIMEYMJSKP-WBVHZDCISA-N 1 2 423.897 4.284 20 5 HIBDLO CSc1cccc(C(=O)Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000485742099 900996919 /nfs/dbraw/zinc/99/69/19/900996919.db2.gz HLIKHWHAASFVEI-GJZGRUSLSA-N 1 2 415.515 4.178 20 5 HIBDLO CSc1cccc(C(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)c1[N+](=O)[O-] ZINC000486106143 901293319 /nfs/dbraw/zinc/29/33/19/901293319.db2.gz BFWLYLVORSWYLR-UHFFFAOYSA-N 1 2 419.934 4.318 20 5 HIBDLO CSc1cccc(C(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)c1[N+](=O)[O-] ZINC000486106143 901293336 /nfs/dbraw/zinc/29/33/36/901293336.db2.gz BFWLYLVORSWYLR-UHFFFAOYSA-N 1 2 419.934 4.318 20 5 HIBDLO Cc1c(NC(=O)[C@H](C)[NH2+][C@H](C)c2nc(C(F)(F)F)cs2)cccc1[N+](=O)[O-] ZINC000490066613 903757104 /nfs/dbraw/zinc/75/71/04/903757104.db2.gz LXJPOVYAYNMUHZ-VHSXEESVSA-N 1 2 402.398 4.056 20 5 HIBDLO O=[N+]([O-])c1cccc([C@@H]([NH2+]Cc2ccncc2OC[C@H]2CCOC2)c2ccccc2)c1 ZINC000490364977 903957500 /nfs/dbraw/zinc/95/75/00/903957500.db2.gz IXZKUVUBDFSKFL-UUOWRZLLSA-N 1 2 419.481 4.284 20 5 HIBDLO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000490604067 904130065 /nfs/dbraw/zinc/13/00/65/904130065.db2.gz CKDPYGJFKCCMDZ-YJBOKZPZSA-N 1 2 402.520 4.263 20 5 HIBDLO CC(=O)N1CCC[N@H+](Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CC1 ZINC000506269693 914874913 /nfs/dbraw/zinc/87/49/13/914874913.db2.gz RGUPLSNIQUEELB-UHFFFAOYSA-N 1 2 403.866 4.095 20 5 HIBDLO CC(=O)N1CCC[N@@H+](Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CC1 ZINC000506269693 914874914 /nfs/dbraw/zinc/87/49/14/914874914.db2.gz RGUPLSNIQUEELB-UHFFFAOYSA-N 1 2 403.866 4.095 20 5 HIBDLO CC[C@@H]([NH2+]Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-])c1nc(C)cs1 ZINC000494633597 905874408 /nfs/dbraw/zinc/87/44/08/905874408.db2.gz OJNHYXJVXNHXMY-GFCCVEGCSA-N 1 2 401.435 4.253 20 5 HIBDLO O=C(c1ccccc1)N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000500719200 910037448 /nfs/dbraw/zinc/03/74/48/910037448.db2.gz UPSRNBWLWYUOSJ-UHFFFAOYSA-N 1 2 407.495 4.281 20 5 HIBDLO COc1ccc(-c2nc(CN3CC[NH+](Cc4ccc([N+](=O)[O-])cc4)CC3)cs2)cc1 ZINC000506618151 915271962 /nfs/dbraw/zinc/27/19/62/915271962.db2.gz RZARLRSUHKRVQR-UHFFFAOYSA-N 1 2 424.526 4.045 20 5 HIBDLO COc1cc(Br)ccc1[C@H](C)[NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000510763816 919216461 /nfs/dbraw/zinc/21/64/61/919216461.db2.gz NJIXMYNRCOOPAU-VIFPVBQESA-N 1 2 401.207 4.495 20 5 HIBDLO O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000510911908 919418728 /nfs/dbraw/zinc/41/87/28/919418728.db2.gz CKCVSFIPIZAPFE-KRWDZBQOSA-N 1 2 419.441 4.183 20 5 HIBDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000511212496 919823979 /nfs/dbraw/zinc/82/39/79/919823979.db2.gz FOVDGQNWMYEVBG-QGZVFWFLSA-N 1 2 420.494 4.150 20 5 HIBDLO Cn1ccnc1[C@@H]([NH2+]CCOc1ccc2ccccc2c1)c1ccc([N+](=O)[O-])cc1 ZINC000513652457 921974149 /nfs/dbraw/zinc/97/41/49/921974149.db2.gz ANZOOXYWGMOYCY-QFIPXVFZSA-N 1 2 402.454 4.240 20 5 HIBDLO Cn1ccnc1[C@H]([NH2+]CCOc1ccccc1C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000513679523 922000642 /nfs/dbraw/zinc/00/06/42/922000642.db2.gz XSOZHAWFFFGEJO-GOSISDBHSA-N 1 2 420.391 4.105 20 5 HIBDLO Cn1ccnc1[C@H]([NH2+]CCOc1cccc(C(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000513713247 922032662 /nfs/dbraw/zinc/03/26/62/922032662.db2.gz MRJMMRZMTGVRQH-GOSISDBHSA-N 1 2 420.391 4.105 20 5 HIBDLO O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CC[NH2+][C@@H](c2cccc(Cl)c2)C1 ZINC000513990427 922311696 /nfs/dbraw/zinc/31/16/96/922311696.db2.gz VXIUBRXHYFDZPA-MRXNPFEDSA-N 1 2 401.875 4.250 20 5 HIBDLO Cn1ccnc1[C@@H]([NH2+]C[C@@H](Cc1ccccc1)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000515020906 922881620 /nfs/dbraw/zinc/88/16/20/922881620.db2.gz SHNAUUYLCKIGQR-MJGOQNOKSA-N 1 2 418.419 4.429 20 5 HIBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC(c2c[nH]c3ccccc32)CC1 ZINC000515089718 922902442 /nfs/dbraw/zinc/90/24/42/922902442.db2.gz SBEGBGGZYKUTIR-UHFFFAOYSA-N 1 2 415.453 4.282 20 5 HIBDLO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000521531750 929278464 /nfs/dbraw/zinc/27/84/64/929278464.db2.gz CPCFZDQMSRVNIY-UHFFFAOYSA-N 1 2 415.453 4.388 20 5 HIBDLO C[C@H](NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000532852923 931664870 /nfs/dbraw/zinc/66/48/70/931664870.db2.gz UWSCTMOGAJFPMQ-YXKWSERDSA-N 1 2 420.872 4.193 20 5 HIBDLO C[C@H](NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000532852923 931664889 /nfs/dbraw/zinc/66/48/89/931664889.db2.gz UWSCTMOGAJFPMQ-YXKWSERDSA-N 1 2 420.872 4.193 20 5 HIBDLO Cc1ccc2c(c1)[nH]cc2C1=CC[N@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])CC1 ZINC000533029560 931746026 /nfs/dbraw/zinc/74/60/26/931746026.db2.gz XAUSHCVCJYOJQK-UHFFFAOYSA-N 1 2 404.470 4.421 20 5 HIBDLO Cc1ccc2c(c1)[nH]cc2C1=CC[N@@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])CC1 ZINC000533029560 931746029 /nfs/dbraw/zinc/74/60/29/931746029.db2.gz XAUSHCVCJYOJQK-UHFFFAOYSA-N 1 2 404.470 4.421 20 5 HIBDLO C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@H+](C)Cc1cccs1 ZINC000533240723 931816674 /nfs/dbraw/zinc/81/66/74/931816674.db2.gz PNSTYJNLRNVQRV-GFCCVEGCSA-N 1 2 402.501 4.239 20 5 HIBDLO C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@@H+](C)Cc1cccs1 ZINC000533240723 931816678 /nfs/dbraw/zinc/81/66/78/931816678.db2.gz PNSTYJNLRNVQRV-GFCCVEGCSA-N 1 2 402.501 4.239 20 5 HIBDLO O=C(C[N@H+](Cc1cccc(F)c1)C1CC1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000533241661 931816699 /nfs/dbraw/zinc/81/66/99/931816699.db2.gz YCPFMQUZUAJSNM-UHFFFAOYSA-N 1 2 422.254 4.100 20 5 HIBDLO O=C(C[N@@H+](Cc1cccc(F)c1)C1CC1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000533241661 931816700 /nfs/dbraw/zinc/81/67/00/931816700.db2.gz YCPFMQUZUAJSNM-UHFFFAOYSA-N 1 2 422.254 4.100 20 5 HIBDLO Cc1ccc2c(c1)[nH]cc2C1=CC[N@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000533351559 931845784 /nfs/dbraw/zinc/84/57/84/931845784.db2.gz VTMHYTQYZXVQLX-UHFFFAOYSA-N 1 2 404.470 4.421 20 5 HIBDLO Cc1ccc2c(c1)[nH]cc2C1=CC[N@@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000533351559 931845786 /nfs/dbraw/zinc/84/57/86/931845786.db2.gz VTMHYTQYZXVQLX-UHFFFAOYSA-N 1 2 404.470 4.421 20 5 HIBDLO O=[N+]([O-])c1ccc(-c2noc(C[NH2+]C3(c4ccc(Cl)cc4)CCOCC3)n2)cc1 ZINC000533385688 931854519 /nfs/dbraw/zinc/85/45/19/931854519.db2.gz FAZNHLZRENNGML-UHFFFAOYSA-N 1 2 414.849 4.094 20 5 HIBDLO C[C@@H]1C[C@@H](c2ccccc2)C[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000533436517 931868587 /nfs/dbraw/zinc/86/85/87/931868587.db2.gz LELHLUHUKRUHOD-UKRRQHHQSA-N 1 2 418.291 4.174 20 5 HIBDLO C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000533436517 931868589 /nfs/dbraw/zinc/86/85/89/931868589.db2.gz LELHLUHUKRUHOD-UKRRQHHQSA-N 1 2 418.291 4.174 20 5 HIBDLO Cc1cncc(C[NH2+][C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)c1 ZINC000534059805 932239475 /nfs/dbraw/zinc/23/94/75/932239475.db2.gz WRJFSIVQVHYOSK-HXUWFJFHSA-N 1 2 410.861 4.421 20 5 HIBDLO C[N@@H+]1CC[C@@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534992427 932879588 /nfs/dbraw/zinc/87/95/88/932879588.db2.gz SMBYYLSYMULVJF-APWZRJJASA-N 1 2 416.840 4.044 20 5 HIBDLO C[N@H+]1CC[C@@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534992427 932879593 /nfs/dbraw/zinc/87/95/93/932879593.db2.gz SMBYYLSYMULVJF-APWZRJJASA-N 1 2 416.840 4.044 20 5 HIBDLO CC[C@H](c1ccncc1)[N@H+](C)CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000535791481 933389230 /nfs/dbraw/zinc/38/92/30/933389230.db2.gz MZHUWGXXFIVLQF-GOSISDBHSA-N 1 2 411.487 4.135 20 5 HIBDLO CC[C@H](c1ccncc1)[N@@H+](C)CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000535791481 933389240 /nfs/dbraw/zinc/38/92/40/933389240.db2.gz MZHUWGXXFIVLQF-GOSISDBHSA-N 1 2 411.487 4.135 20 5 HIBDLO O=C(Nc1cc(F)c(Br)c(F)c1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000538251575 938574712 /nfs/dbraw/zinc/57/47/12/938574712.db2.gz BXSRFKYXMWYESX-UHFFFAOYSA-N 1 2 423.173 4.074 20 5 HIBDLO Cc1c([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)nnn1-c1cccc(Br)c1 ZINC000539092078 938801331 /nfs/dbraw/zinc/80/13/31/938801331.db2.gz UMYWHIYYAZQRDD-GFCCVEGCSA-N 1 2 416.279 4.097 20 5 HIBDLO C[N@H+](CC(=O)NCc1cccs1)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000539839755 938954536 /nfs/dbraw/zinc/95/45/36/938954536.db2.gz CDRPBKBZTRBBBV-UHFFFAOYSA-N 1 2 419.890 4.318 20 5 HIBDLO C[N@@H+](CC(=O)NCc1cccs1)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000539839755 938954537 /nfs/dbraw/zinc/95/45/37/938954537.db2.gz CDRPBKBZTRBBBV-UHFFFAOYSA-N 1 2 419.890 4.318 20 5 HIBDLO C[C@H]([NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1ccc(OCC2CC2)c(F)c1 ZINC000540425464 939244101 /nfs/dbraw/zinc/24/41/01/939244101.db2.gz ZKYBVLBWWKBNHS-ZDUSSCGKSA-N 1 2 412.421 4.424 20 5 HIBDLO COC(=O)c1ccc(-c2nc(C[N@H+](Cc3ccc([N+](=O)[O-])cc3)C(C)C)co2)cc1 ZINC000541067925 939448235 /nfs/dbraw/zinc/44/82/35/939448235.db2.gz CFFVUCBKDIVFDY-UHFFFAOYSA-N 1 2 409.442 4.447 20 5 HIBDLO COC(=O)c1ccc(-c2nc(C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C(C)C)co2)cc1 ZINC000541067925 939448240 /nfs/dbraw/zinc/44/82/40/939448240.db2.gz CFFVUCBKDIVFDY-UHFFFAOYSA-N 1 2 409.442 4.447 20 5 HIBDLO C[C@@H](C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000541613475 939570728 /nfs/dbraw/zinc/57/07/28/939570728.db2.gz QLYFPEGOLVBXLI-BZUAXINKSA-N 1 2 415.465 4.085 20 5 HIBDLO O=C(Nc1ccc(F)cc1)NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000542000703 939676636 /nfs/dbraw/zinc/67/66/36/939676636.db2.gz ZPFKMKMSBCFXEF-UHFFFAOYSA-N 1 2 406.845 4.173 20 5 HIBDLO CC(C)Oc1c(F)cc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1F ZINC000542210971 939758148 /nfs/dbraw/zinc/75/81/48/939758148.db2.gz KSLMJNBUKOCJRL-UHFFFAOYSA-N 1 2 402.357 4.098 20 5 HIBDLO Cc1nc(-c2ccccc2)sc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000544064317 940315565 /nfs/dbraw/zinc/31/55/65/940315565.db2.gz OAFHRIJMXMAYLN-UHFFFAOYSA-N 1 2 405.439 4.465 20 5 HIBDLO C[C@H]([NH2+][C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)c1cnn(C)c1 ZINC000544470062 940445566 /nfs/dbraw/zinc/44/55/66/940445566.db2.gz WWAQRTQYVJLVJO-ORAYPTAESA-N 1 2 413.865 4.012 20 5 HIBDLO C[C@@H](C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1)c1ccc([N+](=O)[O-])cc1F ZINC000544507535 940459765 /nfs/dbraw/zinc/45/97/65/940459765.db2.gz YIURFESROAWKFQ-CHWSQXEVSA-N 1 2 406.483 4.165 20 5 HIBDLO C[C@@H](C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1)c1ccc([N+](=O)[O-])cc1F ZINC000544507535 940459771 /nfs/dbraw/zinc/45/97/71/940459771.db2.gz YIURFESROAWKFQ-CHWSQXEVSA-N 1 2 406.483 4.165 20 5 HIBDLO C[N@@H+]1CC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000544624422 940492970 /nfs/dbraw/zinc/49/29/70/940492970.db2.gz RJQBZBOBWSMIKL-IAGOWNOFSA-N 1 2 410.808 4.093 20 5 HIBDLO C[N@H+]1CC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000544624422 940492973 /nfs/dbraw/zinc/49/29/73/940492973.db2.gz RJQBZBOBWSMIKL-IAGOWNOFSA-N 1 2 410.808 4.093 20 5 HIBDLO COCCn1cc2c(n1)[C@H]([NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)CCC2 ZINC000544896093 940522811 /nfs/dbraw/zinc/52/28/11/940522811.db2.gz HOHVSUBPTANAMX-FGZHOGPDSA-N 1 2 406.486 4.194 20 5 HIBDLO C[C@H]1CO[C@H](c2noc(/C=C/c3ccc(F)cc3[N+](=O)[O-])n2)C[N@@H+]1Cc1ccccc1 ZINC000545812468 940608136 /nfs/dbraw/zinc/60/81/36/940608136.db2.gz HOJAGROJOBQNEF-FAVSSPFPSA-N 1 2 424.432 4.249 20 5 HIBDLO C[C@H]1CO[C@H](c2noc(/C=C/c3ccc(F)cc3[N+](=O)[O-])n2)C[N@H+]1Cc1ccccc1 ZINC000545812468 940608145 /nfs/dbraw/zinc/60/81/45/940608145.db2.gz HOJAGROJOBQNEF-FAVSSPFPSA-N 1 2 424.432 4.249 20 5 HIBDLO COc1cc(C[NH2+][C@@H](C)c2nnc(C)s2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000546059060 940684769 /nfs/dbraw/zinc/68/47/69/940684769.db2.gz MQSVJDFTYVCYJZ-ZDUSSCGKSA-N 1 2 414.487 4.193 20 5 HIBDLO Cc1cccn2cc(Cc3noc(Cn4c5ccccc5c(=O)c5ccccc54)n3)[nH+]c12 ZINC000546387240 940807993 /nfs/dbraw/zinc/80/79/93/940807993.db2.gz TZCNMKHWJXQJCI-UHFFFAOYSA-N 1 2 421.460 4.133 20 5 HIBDLO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCO[C@H](c4ccc(F)cc4F)C3)o2)c1 ZINC000548300719 941094688 /nfs/dbraw/zinc/09/46/88/941094688.db2.gz ACENXTYMCSSDRR-FQEVSTJZSA-N 1 2 415.396 4.144 20 5 HIBDLO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCO[C@H](c4ccc(F)cc4F)C3)o2)c1 ZINC000548300719 941094691 /nfs/dbraw/zinc/09/46/91/941094691.db2.gz ACENXTYMCSSDRR-FQEVSTJZSA-N 1 2 415.396 4.144 20 5 HIBDLO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1nc2ccccc2n1C(F)F ZINC000548402941 941099949 /nfs/dbraw/zinc/09/99/49/941099949.db2.gz KNFYRSDEBPMPQU-LLVKDONJSA-N 1 2 404.373 4.057 20 5 HIBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[NH2+][C@@H](CO)c2ccccc2OC(F)(F)F)c1 ZINC000549615216 941201431 /nfs/dbraw/zinc/20/14/31/941201431.db2.gz UANAOWXADXMBAX-AWEZNQCLSA-N 1 2 424.297 4.335 20 5 HIBDLO O=C(NCCc1cccc([N+](=O)[O-])c1)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000550676449 941352716 /nfs/dbraw/zinc/35/27/16/941352716.db2.gz HRIPAOGJZJRSBL-UHFFFAOYSA-N 1 2 405.458 4.159 20 5 HIBDLO C[C@@H]([NH2+][C@H](C)c1ccc(-n2cccn2)c(F)c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000555590838 942657603 /nfs/dbraw/zinc/65/76/03/942657603.db2.gz FCGHQRVLUNLMJR-ZIAGYGMSSA-N 1 2 422.420 4.381 20 5 HIBDLO COc1ccccc1[C@@H](C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)OC(C)C ZINC000556890712 942953315 /nfs/dbraw/zinc/95/33/15/942953315.db2.gz QQHUPLBMJZQZSL-YADHBBJMSA-N 1 2 424.501 4.182 20 5 HIBDLO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CCC[C@H](c4noc(C5CC5)n4)C3)cs2)c1 ZINC000556939050 942974662 /nfs/dbraw/zinc/97/46/62/942974662.db2.gz AOCCJYFYZJBQTQ-HNNXBMFYSA-N 1 2 411.487 4.358 20 5 HIBDLO O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3CCC[C@H](c4noc(C5CC5)n4)C3)cs2)c1 ZINC000556939050 942974667 /nfs/dbraw/zinc/97/46/67/942974667.db2.gz AOCCJYFYZJBQTQ-HNNXBMFYSA-N 1 2 411.487 4.358 20 5 HIBDLO C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000558467495 943567332 /nfs/dbraw/zinc/56/73/32/943567332.db2.gz XRTYAKHFMNRJAQ-NWDGAFQWSA-N 1 2 410.446 4.022 20 5 HIBDLO C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000558467495 943567336 /nfs/dbraw/zinc/56/73/36/943567336.db2.gz XRTYAKHFMNRJAQ-NWDGAFQWSA-N 1 2 410.446 4.022 20 5 HIBDLO C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@@H+]1CCC(F)(F)[C@H](C)C1 ZINC000558467497 943567666 /nfs/dbraw/zinc/56/76/66/943567666.db2.gz XRTYAKHFMNRJAQ-VXGBXAGGSA-N 1 2 410.446 4.022 20 5 HIBDLO C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@H+]1CCC(F)(F)[C@H](C)C1 ZINC000558467497 943567670 /nfs/dbraw/zinc/56/76/70/943567670.db2.gz XRTYAKHFMNRJAQ-VXGBXAGGSA-N 1 2 410.446 4.022 20 5 HIBDLO C[C@H]1C[C@H](c2cccnc2)[N@H+](CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 ZINC000561892690 944840592 /nfs/dbraw/zinc/84/05/92/944840592.db2.gz GLNNOUAVWCQZOA-IFXJQAMLSA-N 1 2 423.498 4.135 20 5 HIBDLO C[C@H]1C[C@H](c2cccnc2)[N@@H+](CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 ZINC000561892690 944840597 /nfs/dbraw/zinc/84/05/97/944840597.db2.gz GLNNOUAVWCQZOA-IFXJQAMLSA-N 1 2 423.498 4.135 20 5 HIBDLO C[C@]1(c2ccccc2)CCCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000565966827 945945294 /nfs/dbraw/zinc/94/52/94/945945294.db2.gz DIFFHNZJHKYUNJ-QHCPKHFHSA-N 1 2 404.470 4.365 20 5 HIBDLO COC[C@@H]([NH2+]Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000574721828 948511462 /nfs/dbraw/zinc/51/14/62/948511462.db2.gz NOXDTPCYSFUTFO-CQSZACIVSA-N 1 2 416.808 4.336 20 5 HIBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CC(=O)NC(c1ccccc1)c1ccccc1 ZINC000015548908 846062143 /nfs/dbraw/zinc/06/21/43/846062143.db2.gz ZNHNGTRBCTWYMK-GOSISDBHSA-N 1 2 403.482 4.493 20 5 HIBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CC(=O)NC(c1ccccc1)c1ccccc1 ZINC000015548908 846062149 /nfs/dbraw/zinc/06/21/49/846062149.db2.gz ZNHNGTRBCTWYMK-GOSISDBHSA-N 1 2 403.482 4.493 20 5 HIBDLO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000022291657 846554097 /nfs/dbraw/zinc/55/40/97/846554097.db2.gz FXRUMYWMXIOOGF-CQSZACIVSA-N 1 2 420.560 4.403 20 5 HIBDLO COc1ccc2cc(C[N@H+](C)Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)ccc2c1 ZINC000025926661 847059202 /nfs/dbraw/zinc/05/92/02/847059202.db2.gz WEERXQLUQUAZJF-UHFFFAOYSA-N 1 2 404.426 4.439 20 5 HIBDLO COc1ccc2cc(C[N@@H+](C)Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)ccc2c1 ZINC000025926661 847059205 /nfs/dbraw/zinc/05/92/05/847059205.db2.gz WEERXQLUQUAZJF-UHFFFAOYSA-N 1 2 404.426 4.439 20 5 HIBDLO C[C@@H]1CCCN(c2ccc(C(=O)Nc3ccc(-n4cc[nH+]c4)cc3)cc2[N+](=O)[O-])C1 ZINC000029951456 847658493 /nfs/dbraw/zinc/65/84/93/847658493.db2.gz QZRDBAIGEOIPKA-MRXNPFEDSA-N 1 2 405.458 4.269 20 5 HIBDLO C[C@H]1CCCN(c2ccc(C(=O)Nc3ccc(-n4cc[nH+]c4)cc3)cc2[N+](=O)[O-])C1 ZINC000029951457 847658962 /nfs/dbraw/zinc/65/89/62/847658962.db2.gz QZRDBAIGEOIPKA-INIZCTEOSA-N 1 2 405.458 4.269 20 5 HIBDLO CC(C)Oc1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1Cl ZINC000032166274 847990346 /nfs/dbraw/zinc/99/03/46/847990346.db2.gz GXHODGBXZNDXFL-UHFFFAOYSA-N 1 2 400.822 4.473 20 5 HIBDLO CCc1cc(NCc2cccc(Cn3cc[nH+]c3)c2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000053558387 849732110 /nfs/dbraw/zinc/73/21/10/849732110.db2.gz XQFWSQRLNNZSFT-UHFFFAOYSA-N 1 2 414.469 4.471 20 5 HIBDLO Cc1nc(-c2cccc(NC(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)c2)oc1C ZINC000054113404 849811293 /nfs/dbraw/zinc/81/12/93/849811293.db2.gz LPOJVRJUOAEVCJ-UHFFFAOYSA-N 1 2 403.398 4.305 20 5 HIBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000058825215 850939502 /nfs/dbraw/zinc/93/95/02/850939502.db2.gz AHRAESUWPDEKOK-UHFFFAOYSA-N 1 2 422.407 4.272 20 5 HIBDLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)c1cccc([N+](=O)[O-])c1C ZINC000060442473 851101819 /nfs/dbraw/zinc/10/18/19/851101819.db2.gz PKLNLTXBVDDWNB-UHFFFAOYSA-N 1 2 422.485 4.231 20 5 HIBDLO CC(C)[C@H](Cc1ccc(F)cc1)N(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000437110125 862298221 /nfs/dbraw/zinc/29/82/21/862298221.db2.gz UOOCPXVZAQIQHH-FQEVSTJZSA-N 1 2 410.449 4.259 20 5 HIBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000117145614 853344953 /nfs/dbraw/zinc/34/49/53/853344953.db2.gz KUSJEBJOTFEKRV-AWEZNQCLSA-N 1 2 408.433 4.332 20 5 HIBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000117145614 853344955 /nfs/dbraw/zinc/34/49/55/853344955.db2.gz KUSJEBJOTFEKRV-AWEZNQCLSA-N 1 2 408.433 4.332 20 5 HIBDLO C[C@@H]([NH2+]Cc1ncc(Br)cc1Br)c1cccc([N+](=O)[O-])c1 ZINC000135294617 853374750 /nfs/dbraw/zinc/37/47/50/853374750.db2.gz WEBHAKOCHYKWNC-SECBINFHSA-N 1 2 415.085 4.366 20 5 HIBDLO O=[N+]([O-])c1ccc(C[NH2+]Cc2cc(Br)c(O)c(Br)c2)cc1 ZINC000225631786 853880369 /nfs/dbraw/zinc/88/03/69/853880369.db2.gz IVEACUVEHFCVJH-UHFFFAOYSA-N 1 2 416.069 4.115 20 5 HIBDLO O=C1CCCN1C[C@@H]([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccccc1 ZINC000238053599 854138870 /nfs/dbraw/zinc/13/88/70/854138870.db2.gz RTCGNXCQOSCFLR-HXUWFJFHSA-N 1 2 422.510 4.172 20 5 HIBDLO C[C@H](c1nnc(Sc2ncc(Cl)cc2[N+](=O)[O-])n1-c1ccc(F)cc1)[NH+](C)C ZINC000301745748 854457157 /nfs/dbraw/zinc/45/71/57/854457157.db2.gz OQKITXVJGKTZQU-SNVBAGLBSA-N 1 2 422.873 4.137 20 5 HIBDLO O=[N+]([O-])c1cc(F)c(Sc2nnc(C[NH+]3CCCC3)n2-c2ccccc2)c(F)c1 ZINC000301801268 854467503 /nfs/dbraw/zinc/46/75/03/854467503.db2.gz TTYGMTWRFXIDSS-UHFFFAOYSA-N 1 2 417.441 4.201 20 5 HIBDLO C[N@@H+]1CCO[C@H]([C@@H](Nc2ccc([N+](=O)[O-])c3cccnc23)c2ccc(Cl)cc2)C1 ZINC000301976501 854508000 /nfs/dbraw/zinc/50/80/00/854508000.db2.gz MMMHMJDCECDNSK-PMACEKPBSA-N 1 2 412.877 4.280 20 5 HIBDLO C[N@H+]1CCO[C@H]([C@@H](Nc2ccc([N+](=O)[O-])c3cccnc23)c2ccc(Cl)cc2)C1 ZINC000301976501 854508005 /nfs/dbraw/zinc/50/80/05/854508005.db2.gz MMMHMJDCECDNSK-PMACEKPBSA-N 1 2 412.877 4.280 20 5 HIBDLO Cc1cc(N2CCc3c([nH+]cn3CCc3ccccc3)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000302118683 854533245 /nfs/dbraw/zinc/53/32/45/854533245.db2.gz CRSRXOZHQLXSSY-UHFFFAOYSA-N 1 2 413.481 4.453 20 5 HIBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000303555939 855037913 /nfs/dbraw/zinc/03/79/13/855037913.db2.gz WQOAEFBMGXDLBU-MRXNPFEDSA-N 1 2 405.857 4.090 20 5 HIBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000303555939 855037918 /nfs/dbraw/zinc/03/79/18/855037918.db2.gz WQOAEFBMGXDLBU-MRXNPFEDSA-N 1 2 405.857 4.090 20 5 HIBDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000303719688 855149785 /nfs/dbraw/zinc/14/97/85/855149785.db2.gz ASUXRBSRKPVRIM-UHFFFAOYSA-N 1 2 411.502 4.285 20 5 HIBDLO O=C(c1c([N+](=O)[O-])cccc1C(F)(F)F)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410280101 855899191 /nfs/dbraw/zinc/89/91/91/855899191.db2.gz UHUMACSNBFSORT-CYBMUJFWSA-N 1 2 422.407 4.166 20 5 HIBDLO Cc1cn2cc(NC(=O)c3cc(OCc4ccccc4)ccc3[N+](=O)[O-])ccc2[nH+]1 ZINC000425935492 856008189 /nfs/dbraw/zinc/00/81/89/856008189.db2.gz DMDWBYYIZCUXSK-UHFFFAOYSA-N 1 2 402.410 4.382 20 5 HIBDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000429492145 857694724 /nfs/dbraw/zinc/69/47/24/857694724.db2.gz FRMYHXVSLXHREO-UHFFFAOYSA-N 1 2 406.442 4.192 20 5 HIBDLO Cc1cc([C@@H]2CCC[N@@H+]2Cc2ccc(C(N)=O)cc2[N+](=O)[O-])ccc1Br ZINC000430242297 858094868 /nfs/dbraw/zinc/09/48/68/858094868.db2.gz RTBPJDDVHPQIIJ-KRWDZBQOSA-N 1 2 418.291 4.102 20 5 HIBDLO Cc1cc([C@@H]2CCC[N@H+]2Cc2ccc(C(N)=O)cc2[N+](=O)[O-])ccc1Br ZINC000430242297 858094872 /nfs/dbraw/zinc/09/48/72/858094872.db2.gz RTBPJDDVHPQIIJ-KRWDZBQOSA-N 1 2 418.291 4.102 20 5 HIBDLO Cc1ccc(NC(=O)N(CCn2cc[nH+]c2)Cc2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000431435438 858613344 /nfs/dbraw/zinc/61/33/44/858613344.db2.gz QQDLDOBIHDOGRS-UHFFFAOYSA-N 1 2 413.865 4.487 20 5 HIBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000432422104 859157389 /nfs/dbraw/zinc/15/73/89/859157389.db2.gz CQJYVWYYLHTSKE-UHFFFAOYSA-N 1 2 413.865 4.487 20 5 HIBDLO C[C@@H]1C[N@H+](Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC[S@](=O)C1 ZINC000433025301 859485914 /nfs/dbraw/zinc/48/59/14/859485914.db2.gz JLZUGEWATYQEHP-ASHKIFAZSA-N 1 2 408.907 4.241 20 5 HIBDLO C[C@@H]1C[N@@H+](Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC[S@](=O)C1 ZINC000433025301 859485915 /nfs/dbraw/zinc/48/59/15/859485915.db2.gz JLZUGEWATYQEHP-ASHKIFAZSA-N 1 2 408.907 4.241 20 5 HIBDLO COc1ccc([C@@H]([NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)c2nccn2C)cc1 ZINC000433137491 859535336 /nfs/dbraw/zinc/53/53/36/859535336.db2.gz UCGVOZLVUNJJQX-LEWJYISDSA-N 1 2 406.486 4.439 20 5 HIBDLO C[C@H](c1ccccc1Cl)[NH+]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000434836620 860514724 /nfs/dbraw/zinc/51/47/24/860514724.db2.gz ATWQMIGUJSMACH-CQSZACIVSA-N 1 2 400.866 4.268 20 5 HIBDLO COc1cc(C[N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)c(SC)cc1OC ZINC000435041393 860611417 /nfs/dbraw/zinc/61/14/17/860611417.db2.gz IEHMXKDREQDRRP-UHFFFAOYSA-N 1 2 403.460 4.107 20 5 HIBDLO COc1cc(C[N@@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)c(SC)cc1OC ZINC000435041393 860611422 /nfs/dbraw/zinc/61/14/22/860611422.db2.gz IEHMXKDREQDRRP-UHFFFAOYSA-N 1 2 403.460 4.107 20 5 HIBDLO O=C(c1ccccc1Sc1ccccc1[N+](=O)[O-])N1CCN(c2cccc[nH+]2)CC1 ZINC000440438787 865741186 /nfs/dbraw/zinc/74/11/86/865741186.db2.gz AZNMSPXUAHUPJF-UHFFFAOYSA-N 1 2 420.494 4.103 20 5 HIBDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2C)[C@H](C)C1 ZINC000441275955 866350764 /nfs/dbraw/zinc/35/07/64/866350764.db2.gz IVUUIUULVRSRDH-MRXNPFEDSA-N 1 2 412.490 4.040 20 5 HIBDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2C)[C@H](C)C1 ZINC000441275955 866350778 /nfs/dbraw/zinc/35/07/78/866350778.db2.gz IVUUIUULVRSRDH-MRXNPFEDSA-N 1 2 412.490 4.040 20 5 HIBDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(C)c1 ZINC000441495500 866578226 /nfs/dbraw/zinc/57/82/26/866578226.db2.gz XLNCXQXYBDFXMS-IBGZPJMESA-N 1 2 404.426 4.326 20 5 HIBDLO CC(C)Oc1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c(Cl)c1 ZINC000444514000 868865050 /nfs/dbraw/zinc/86/50/50/868865050.db2.gz GYWJZIVNWADBRD-UHFFFAOYSA-N 1 2 400.822 4.473 20 5 HIBDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000444657246 868935475 /nfs/dbraw/zinc/93/54/75/868935475.db2.gz BRFDGKOBKJCLFU-QGZVFWFLSA-N 1 2 405.458 4.092 20 5 HIBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC[C@@H](c4nc(C(F)(F)F)cs4)C3)nc2c1 ZINC000444671454 868949652 /nfs/dbraw/zinc/94/96/52/868949652.db2.gz GHCGURIFVDQSTC-SNVBAGLBSA-N 1 2 411.409 4.326 20 5 HIBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCC[C@@H](c4nc(C(F)(F)F)cs4)C3)nc2c1 ZINC000444671454 868949663 /nfs/dbraw/zinc/94/96/63/868949663.db2.gz GHCGURIFVDQSTC-SNVBAGLBSA-N 1 2 411.409 4.326 20 5 HIBDLO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1CCOc2ccc(Br)cc21 ZINC000444683352 868956072 /nfs/dbraw/zinc/95/60/72/868956072.db2.gz GCRWDFAOTMKZQK-INIZCTEOSA-N 1 2 417.263 4.189 20 5 HIBDLO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1CCOc2ccc(Br)cc21 ZINC000444683352 868956082 /nfs/dbraw/zinc/95/60/82/868956082.db2.gz GCRWDFAOTMKZQK-INIZCTEOSA-N 1 2 417.263 4.189 20 5 HIBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@@H](c2cccc(Cl)c2)OC[C@H]1C ZINC000444725437 868978515 /nfs/dbraw/zinc/97/85/15/868978515.db2.gz MWKFFHHCWOMHSL-QRWLVFNGSA-N 1 2 417.893 4.347 20 5 HIBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H](c2cccc(Cl)c2)OC[C@H]1C ZINC000444725437 868978521 /nfs/dbraw/zinc/97/85/21/868978521.db2.gz MWKFFHHCWOMHSL-QRWLVFNGSA-N 1 2 417.893 4.347 20 5 HIBDLO C[C@H]([NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1ccc(Br)cc1 ZINC000444741416 868984824 /nfs/dbraw/zinc/98/48/24/868984824.db2.gz YLHZWBMWPMLXNF-NSHDSACASA-N 1 2 403.236 4.258 20 5 HIBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000448026749 871865979 /nfs/dbraw/zinc/86/59/79/871865979.db2.gz JQHUCOOIOQMGGX-XOBRGWDASA-N 1 2 416.909 4.478 20 5 HIBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000448026749 871865980 /nfs/dbraw/zinc/86/59/80/871865980.db2.gz JQHUCOOIOQMGGX-XOBRGWDASA-N 1 2 416.909 4.478 20 5 HIBDLO COc1ccc2c(c1)C[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H](c1ccccc1)C2 ZINC000468809396 882870129 /nfs/dbraw/zinc/87/01/29/882870129.db2.gz CRIYOLLDBJRFDH-JOCHJYFZSA-N 1 2 417.465 4.002 20 5 HIBDLO COc1ccc2c(c1)C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H](c1ccccc1)C2 ZINC000468809396 882870130 /nfs/dbraw/zinc/87/01/30/882870130.db2.gz CRIYOLLDBJRFDH-JOCHJYFZSA-N 1 2 417.465 4.002 20 5 HIBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000462506590 875622674 /nfs/dbraw/zinc/62/26/74/875622674.db2.gz SHKZRQZXKGBCOG-SFHVURJKSA-N 1 2 408.458 4.078 20 5 HIBDLO C[C@H](c1ccc(F)cc1F)[NH+]1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000462819254 875859042 /nfs/dbraw/zinc/85/90/42/875859042.db2.gz RTLJZYKQDADTBL-GFCCVEGCSA-N 1 2 413.371 4.358 20 5 HIBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCC(F)(F)[C@H](CO)C2)ccc1Oc1ccccc1Cl ZINC000462868803 875899172 /nfs/dbraw/zinc/89/91/72/875899172.db2.gz BYYXTMYMJYXUEZ-AWEZNQCLSA-N 1 2 412.820 4.490 20 5 HIBDLO O=[N+]([O-])c1cc(C[N@H+]2CCC(F)(F)[C@H](CO)C2)ccc1Oc1ccccc1Cl ZINC000462868803 875899182 /nfs/dbraw/zinc/89/91/82/875899182.db2.gz BYYXTMYMJYXUEZ-AWEZNQCLSA-N 1 2 412.820 4.490 20 5 HIBDLO Cc1cc(N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000463008594 876023764 /nfs/dbraw/zinc/02/37/64/876023764.db2.gz INFDREKQYOITJR-MRXNPFEDSA-N 1 2 400.442 4.141 20 5 HIBDLO Cc1nn(-c2ccccc2C)c(C)c1C[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000467195853 880925460 /nfs/dbraw/zinc/92/54/60/880925460.db2.gz NCWFCVOEVBWDIF-SFHVURJKSA-N 1 2 421.501 4.165 20 5 HIBDLO Cc1nn(-c2ccccc2C)c(C)c1C[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000467195853 880925472 /nfs/dbraw/zinc/92/54/72/880925472.db2.gz NCWFCVOEVBWDIF-SFHVURJKSA-N 1 2 421.501 4.165 20 5 HIBDLO CO[C@@H]1C[N@@H+]([C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CC[C@@H]1C ZINC000467302603 881051697 /nfs/dbraw/zinc/05/16/97/881051697.db2.gz JFWCGFSLGHUIPP-KPOBHBOGSA-N 1 2 417.893 4.285 20 5 HIBDLO CO[C@@H]1C[N@H+]([C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CC[C@@H]1C ZINC000467302603 881051714 /nfs/dbraw/zinc/05/17/14/881051714.db2.gz JFWCGFSLGHUIPP-KPOBHBOGSA-N 1 2 417.893 4.285 20 5 HIBDLO O=C(NCCc1[nH]cc[nH+]1)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000467511710 881325077 /nfs/dbraw/zinc/32/50/77/881325077.db2.gz DTROBOGUSMZAQH-UHFFFAOYSA-N 1 2 402.863 4.095 20 5 HIBDLO C[C@H]1CCN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000469155062 883252903 /nfs/dbraw/zinc/25/29/03/883252903.db2.gz NAOLWVXCNQYMMW-SJCJKPOMSA-N 1 2 416.279 4.190 20 5 HIBDLO O=C(C[C@H]1CCCCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccco1 ZINC000469257935 883355603 /nfs/dbraw/zinc/35/56/03/883355603.db2.gz VIHCMIZAGZQAAD-QGZVFWFLSA-N 1 2 422.441 4.031 20 5 HIBDLO NC(=O)c1ccc(C[N@@H+]2CCCC[C@@H]2c2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1 ZINC000469528636 883800557 /nfs/dbraw/zinc/80/05/57/883800557.db2.gz GZTXOBSECSMRSX-QGZVFWFLSA-N 1 2 407.392 4.440 20 5 HIBDLO NC(=O)c1ccc(C[N@H+]2CCCC[C@@H]2c2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1 ZINC000469528636 883800559 /nfs/dbraw/zinc/80/05/59/883800559.db2.gz GZTXOBSECSMRSX-QGZVFWFLSA-N 1 2 407.392 4.440 20 5 HIBDLO Cc1cccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1Br ZINC000470031657 884263347 /nfs/dbraw/zinc/26/33/47/884263347.db2.gz RQLLSROVVUACKW-UHFFFAOYSA-N 1 2 401.220 4.104 20 5 HIBDLO CC[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC[C@@H]1c1ccccc1 ZINC000470204879 884520630 /nfs/dbraw/zinc/52/06/30/884520630.db2.gz BOZXSHMKYZLRDG-PXNSSMCTSA-N 1 2 404.470 4.436 20 5 HIBDLO CSc1ccccc1C[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000471025924 885531625 /nfs/dbraw/zinc/53/16/25/885531625.db2.gz RBUPWSGRJQZGHP-UHFFFAOYSA-N 1 2 424.320 4.150 20 5 HIBDLO CSc1ccccc1C[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000471025924 885531642 /nfs/dbraw/zinc/53/16/42/885531642.db2.gz RBUPWSGRJQZGHP-UHFFFAOYSA-N 1 2 424.320 4.150 20 5 HIBDLO COc1cc(C[NH2+]C(C)(C)c2nc3ccccc3n2C)c([N+](=O)[O-])cc1OC(F)F ZINC000473152647 887933846 /nfs/dbraw/zinc/93/38/46/887933846.db2.gz QFFMQVQIBNVYOL-UHFFFAOYSA-N 1 2 420.416 4.116 20 5 HIBDLO CC[C@H]1C[N@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C[C@@]2(CCOC2)O1 ZINC000475616753 890548594 /nfs/dbraw/zinc/54/85/94/890548594.db2.gz HMUFDXBOYHTKCB-PGRDOPGGSA-N 1 2 416.449 4.296 20 5 HIBDLO CC[C@H]1C[N@@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C[C@@]2(CCOC2)O1 ZINC000475616753 890548606 /nfs/dbraw/zinc/54/86/06/890548606.db2.gz HMUFDXBOYHTKCB-PGRDOPGGSA-N 1 2 416.449 4.296 20 5 HIBDLO CC[C@@H]1C[N@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C[C@@]2(CCOC2)O1 ZINC000475616755 890548991 /nfs/dbraw/zinc/54/89/91/890548991.db2.gz HMUFDXBOYHTKCB-XMSQKQJNSA-N 1 2 416.449 4.296 20 5 HIBDLO CC[C@@H]1C[N@@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C[C@@]2(CCOC2)O1 ZINC000475616755 890548996 /nfs/dbraw/zinc/54/89/96/890548996.db2.gz HMUFDXBOYHTKCB-XMSQKQJNSA-N 1 2 416.449 4.296 20 5 HIBDLO O=[N+]([O-])c1ccc(CSc2nnc(C[NH+]3CCCC3)n2-c2ccccc2)c(F)c1 ZINC000476459836 891373834 /nfs/dbraw/zinc/37/38/34/891373834.db2.gz MGDRPPIHMBIBAT-UHFFFAOYSA-N 1 2 413.478 4.203 20 5 HIBDLO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000477399504 892354318 /nfs/dbraw/zinc/35/43/18/892354318.db2.gz AFTSLAODTPLGGL-YJBOKZPZSA-N 1 2 409.820 4.010 20 5 HIBDLO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000477399504 892354327 /nfs/dbraw/zinc/35/43/27/892354327.db2.gz AFTSLAODTPLGGL-YJBOKZPZSA-N 1 2 409.820 4.010 20 5 HIBDLO COc1cc(C(=O)Nc2cc(-c3[nH]cc[nH+]3)ccc2C)c([N+](=O)[O-])cc1OC(F)F ZINC000477987722 893086413 /nfs/dbraw/zinc/08/64/13/893086413.db2.gz GXRZAERUHICQKB-UHFFFAOYSA-N 1 2 418.356 4.156 20 5 HIBDLO O=C(N[C@H](CCc1ccccc1)C(F)(F)F)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000479655445 894929188 /nfs/dbraw/zinc/92/91/88/894929188.db2.gz MFDCLJCXTXUEJI-GOSISDBHSA-N 1 2 418.375 4.074 20 5 HIBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3nc(-c4c(F)cccc4F)cs3)C2)nc1 ZINC000480773767 896137901 /nfs/dbraw/zinc/13/79/01/896137901.db2.gz UBFQGSSQHXEVJK-LBPRGKRZSA-N 1 2 417.441 4.078 20 5 HIBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3nc(-c4c(F)cccc4F)cs3)C2)nc1 ZINC000480773767 896137914 /nfs/dbraw/zinc/13/79/14/896137914.db2.gz UBFQGSSQHXEVJK-LBPRGKRZSA-N 1 2 417.441 4.078 20 5 HIBDLO O=C(NCCc1cn2c([nH+]1)CCCC2)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000481591720 896972044 /nfs/dbraw/zinc/97/20/44/896972044.db2.gz AKZUBQVFSHJFES-UHFFFAOYSA-N 1 2 422.510 4.251 20 5 HIBDLO CCn1c(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)nc2cc(Br)ccc21 ZINC000483492428 899148590 /nfs/dbraw/zinc/14/85/90/899148590.db2.gz UDSKJHIVJHNEAN-UHFFFAOYSA-N 1 2 407.243 4.156 20 5 HIBDLO COc1ccc(CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)[C@H](C)C2CC2)cc1 ZINC000484262925 899840214 /nfs/dbraw/zinc/84/02/14/899840214.db2.gz LDHIPUPEEVCCET-MRXNPFEDSA-N 1 2 420.469 4.230 20 5 HIBDLO Cc1c(CNC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)cccc1[N+](=O)[O-] ZINC000484474382 899967966 /nfs/dbraw/zinc/96/79/66/899967966.db2.gz KELBAVYFKDICJX-UHFFFAOYSA-N 1 2 403.442 4.140 20 5 HIBDLO CSc1cccc(C(=O)N[C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)c1[N+](=O)[O-] ZINC000486415081 901573466 /nfs/dbraw/zinc/57/34/66/901573466.db2.gz GTCQNINJBHMDIQ-GOSISDBHSA-N 1 2 410.499 4.301 20 5 HIBDLO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000486822049 901875305 /nfs/dbraw/zinc/87/53/05/901875305.db2.gz UNSSRCJFTVYLKP-UHFFFAOYSA-N 1 2 410.499 4.459 20 5 HIBDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])c(C)c1 ZINC000489757169 903582563 /nfs/dbraw/zinc/58/25/63/903582563.db2.gz WZKGPCYBAGEDQP-HXUWFJFHSA-N 1 2 421.501 4.384 20 5 HIBDLO CN(Cc1c(F)cccc1Cl)C(=O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000490058401 903747292 /nfs/dbraw/zinc/74/72/92/903747292.db2.gz UQUADWULQCIQAW-UHFFFAOYSA-N 1 2 405.857 4.010 20 5 HIBDLO CN(Cc1c(F)cccc1Cl)C(=O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000490058401 903747299 /nfs/dbraw/zinc/74/72/99/903747299.db2.gz UQUADWULQCIQAW-UHFFFAOYSA-N 1 2 405.857 4.010 20 5 HIBDLO Cc1c(NC(=O)[C@@H](C)[NH2+][C@H](C)c2nc(C(F)(F)F)cs2)cccc1[N+](=O)[O-] ZINC000490066611 903757654 /nfs/dbraw/zinc/75/76/54/903757654.db2.gz LXJPOVYAYNMUHZ-NXEZZACHSA-N 1 2 402.398 4.056 20 5 HIBDLO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000490604064 904130299 /nfs/dbraw/zinc/13/02/99/904130299.db2.gz CKDPYGJFKCCMDZ-MAUKXSAKSA-N 1 2 402.520 4.263 20 5 HIBDLO Cc1cc(C(=O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c(C)n1CC(F)(F)F ZINC000490798947 904245403 /nfs/dbraw/zinc/24/54/03/904245403.db2.gz DBHRZTKGOAPRCK-UHFFFAOYSA-N 1 2 409.408 4.423 20 5 HIBDLO Cc1cc(C(=O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c(C)n1CC(F)(F)F ZINC000490798947 904245415 /nfs/dbraw/zinc/24/54/15/904245415.db2.gz DBHRZTKGOAPRCK-UHFFFAOYSA-N 1 2 409.408 4.423 20 5 HIBDLO COc1cc(Cl)c(C)cc1NC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000490816736 904263075 /nfs/dbraw/zinc/26/30/75/904263075.db2.gz DNWGFPGIGNTABG-UHFFFAOYSA-N 1 2 403.866 4.168 20 5 HIBDLO COc1cc(Cl)c(C)cc1NC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000490816736 904263096 /nfs/dbraw/zinc/26/30/96/904263096.db2.gz DNWGFPGIGNTABG-UHFFFAOYSA-N 1 2 403.866 4.168 20 5 HIBDLO CN(Cc1c(F)cccc1Cl)C(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000490826118 904271075 /nfs/dbraw/zinc/27/10/75/904271075.db2.gz LEQMSOWQECVSMI-UHFFFAOYSA-N 1 2 405.857 4.010 20 5 HIBDLO CN(Cc1c(F)cccc1Cl)C(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000490826118 904271089 /nfs/dbraw/zinc/27/10/89/904271089.db2.gz LEQMSOWQECVSMI-UHFFFAOYSA-N 1 2 405.857 4.010 20 5 HIBDLO O=C(C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000490827305 904271125 /nfs/dbraw/zinc/27/11/25/904271125.db2.gz ZXTVTGOOKHXFQP-UHFFFAOYSA-N 1 2 423.469 4.239 20 5 HIBDLO O=C(C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000490827305 904271130 /nfs/dbraw/zinc/27/11/30/904271130.db2.gz ZXTVTGOOKHXFQP-UHFFFAOYSA-N 1 2 423.469 4.239 20 5 HIBDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000491073904 904413270 /nfs/dbraw/zinc/41/32/70/904413270.db2.gz GIIHTZSZHIZKIL-UHFFFAOYSA-N 1 2 410.518 4.033 20 5 HIBDLO C[C@H](c1nc(-c2cccs2)no1)N1CC[NH+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000497376646 906863943 /nfs/dbraw/zinc/86/39/43/906863943.db2.gz MOFDRLPWXLYGRW-LSDHHAIUSA-N 1 2 413.503 4.146 20 5 HIBDLO Cc1sc(C(=O)Nc2nc3c(s2)C[N@H+](Cc2ccccc2)CC3)cc1[N+](=O)[O-] ZINC000497902681 907375592 /nfs/dbraw/zinc/37/55/92/907375592.db2.gz XWGCTQQLDHKQSY-UHFFFAOYSA-N 1 2 414.512 4.232 20 5 HIBDLO Cc1sc(C(=O)Nc2nc3c(s2)C[N@@H+](Cc2ccccc2)CC3)cc1[N+](=O)[O-] ZINC000497902681 907375606 /nfs/dbraw/zinc/37/56/06/907375606.db2.gz XWGCTQQLDHKQSY-UHFFFAOYSA-N 1 2 414.512 4.232 20 5 HIBDLO CN(Cc1c(Cl)cccc1Cl)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000498920978 908330673 /nfs/dbraw/zinc/33/06/73/908330673.db2.gz XKNUMVRJLXYBDP-UHFFFAOYSA-N 1 2 405.241 4.360 20 5 HIBDLO O=C(CC[N@@H+]1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000500104209 909587581 /nfs/dbraw/zinc/58/75/81/909587581.db2.gz NKPNDDAGDFJKQW-GOSISDBHSA-N 1 2 423.391 4.016 20 5 HIBDLO O=C(CC[N@H+]1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000500104209 909587602 /nfs/dbraw/zinc/58/76/02/909587602.db2.gz NKPNDDAGDFJKQW-GOSISDBHSA-N 1 2 423.391 4.016 20 5 HIBDLO CC(C)(C)CC(=O)N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000500725982 910044680 /nfs/dbraw/zinc/04/46/80/910044680.db2.gz QJKSNMHJYFWKLH-UHFFFAOYSA-N 1 2 401.532 4.404 20 5 HIBDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C[C@H](C)O1 ZINC000501450098 910576895 /nfs/dbraw/zinc/57/68/95/910576895.db2.gz LQILSQUSDOJSFP-GASCZTMLSA-N 1 2 409.442 4.203 20 5 HIBDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C[C@H](C)O1 ZINC000501450098 910576906 /nfs/dbraw/zinc/57/69/06/910576906.db2.gz LQILSQUSDOJSFP-GASCZTMLSA-N 1 2 409.442 4.203 20 5 HIBDLO Cc1nn(-c2ccccc2F)c(C)c1[C@H]1COCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000502362934 911345929 /nfs/dbraw/zinc/34/59/29/911345929.db2.gz DIZMTGACKQSAGG-JOCHJYFZSA-N 1 2 424.476 4.152 20 5 HIBDLO Cc1nn(-c2ccccc2F)c(C)c1[C@H]1COCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000502362934 911345951 /nfs/dbraw/zinc/34/59/51/911345951.db2.gz DIZMTGACKQSAGG-JOCHJYFZSA-N 1 2 424.476 4.152 20 5 HIBDLO C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccccc1C(F)(F)F ZINC000509087197 917829561 /nfs/dbraw/zinc/82/95/61/917829561.db2.gz XVNOZCQTHNMHPO-LBPRGKRZSA-N 1 2 404.348 4.290 20 5 HIBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC([C@H](F)c2ccccc2F)CC1 ZINC000511080532 919682103 /nfs/dbraw/zinc/68/21/03/919682103.db2.gz JGDAJPUKPTYVHD-NRFANRHFSA-N 1 2 403.429 4.404 20 5 HIBDLO CC1(c2nc3ccccc3s2)CC[NH+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000511128317 919742276 /nfs/dbraw/zinc/74/22/76/919742276.db2.gz ZFPLDSOBUHEFPF-UHFFFAOYSA-N 1 2 410.499 4.197 20 5 HIBDLO Cn1ccnc1[C@H]([NH2+]CCOc1ccc(C(C)(C)C)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000513707737 922026926 /nfs/dbraw/zinc/02/69/26/922026926.db2.gz IEOWNSYSRGYQGP-OAQYLSRUSA-N 1 2 408.502 4.384 20 5 HIBDLO Cn1ccnc1[C@@H]([NH2+]CCOc1cccc(C(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000513713248 922032290 /nfs/dbraw/zinc/03/22/90/922032290.db2.gz MRJMMRZMTGVRQH-SFHVURJKSA-N 1 2 420.391 4.105 20 5 HIBDLO COc1ccc(C[NH2+][C@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)cc1[N+](=O)[O-] ZINC000515738370 923314153 /nfs/dbraw/zinc/31/41/53/923314153.db2.gz ULGXGXAHRIXEAX-QFIPXVFZSA-N 1 2 405.454 4.381 20 5 HIBDLO Cn1ccnc1[C@@H]([NH2+]C[C@H](Cc1ccccc1)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000516120913 923555482 /nfs/dbraw/zinc/55/54/82/923555482.db2.gz VYQFUEIJXDDLQU-HKUYNNGSSA-N 1 2 418.419 4.429 20 5 HIBDLO O=C(Nc1ccc(Oc2ccc(F)cc2)nc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000518249014 927107478 /nfs/dbraw/zinc/10/74/78/927107478.db2.gz HGIASCJMMISKQM-UHFFFAOYSA-N 1 2 419.372 4.359 20 5 HIBDLO COc1ccc(C[N@@H+]2C[C@@]3(CCCO3)[C@@H]2C2CC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000521083843 928981974 /nfs/dbraw/zinc/98/19/74/928981974.db2.gz YIHMVPPEHOAXRA-ZEQRLZLVSA-N 1 2 424.497 4.326 20 5 HIBDLO COc1ccc(C[N@H+]2C[C@@]3(CCCO3)[C@@H]2C2CC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000521083843 928981984 /nfs/dbraw/zinc/98/19/84/928981984.db2.gz YIHMVPPEHOAXRA-ZEQRLZLVSA-N 1 2 424.497 4.326 20 5 HIBDLO Cn1cc(C[N@@H+]2CC[C@](F)(c3cc(F)cc(F)c3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000521668002 929357069 /nfs/dbraw/zinc/35/70/69/929357069.db2.gz PIRATUAQBWBMFA-OAQYLSRUSA-N 1 2 416.403 4.344 20 5 HIBDLO Cn1cc(C[N@H+]2CC[C@](F)(c3cc(F)cc(F)c3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000521668002 929357076 /nfs/dbraw/zinc/35/70/76/929357076.db2.gz PIRATUAQBWBMFA-OAQYLSRUSA-N 1 2 416.403 4.344 20 5 HIBDLO Cc1ccc(-c2ncccc2NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)s1 ZINC000526099460 930532451 /nfs/dbraw/zinc/53/24/51/930532451.db2.gz HMWUJEPRJHMCFH-UHFFFAOYSA-N 1 2 405.439 4.465 20 5 HIBDLO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H](c2nc(-c3ccccc3)no2)c2ccccc2)cc1 ZINC000531642638 931137253 /nfs/dbraw/zinc/13/72/53/931137253.db2.gz XMWDEIGLSGDLHE-OAQYLSRUSA-N 1 2 416.437 4.403 20 5 HIBDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)c(C)c1 ZINC000532754753 931623375 /nfs/dbraw/zinc/62/33/75/931623375.db2.gz PWQWYIZAUKSOBX-NRFANRHFSA-N 1 2 403.442 4.061 20 5 HIBDLO Cc1ccc(C[N@H+](C)CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)s1 ZINC000532953135 931709812 /nfs/dbraw/zinc/70/98/12/931709812.db2.gz INEJYMRFPHFBQI-UHFFFAOYSA-N 1 2 402.501 4.159 20 5 HIBDLO Cc1ccc(C[N@@H+](C)CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)s1 ZINC000532953135 931709819 /nfs/dbraw/zinc/70/98/19/931709819.db2.gz INEJYMRFPHFBQI-UHFFFAOYSA-N 1 2 402.501 4.159 20 5 HIBDLO Cc1cncc(C[NH2+][C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)c1 ZINC000534059804 932238976 /nfs/dbraw/zinc/23/89/76/932238976.db2.gz WRJFSIVQVHYOSK-FQEVSTJZSA-N 1 2 410.861 4.421 20 5 HIBDLO Cn1c2ccc(NC(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)cc2nc1C(C)(C)C ZINC000534112386 932285313 /nfs/dbraw/zinc/28/53/13/932285313.db2.gz PTUWSBIKTPTNIX-UHFFFAOYSA-N 1 2 418.457 4.217 20 5 HIBDLO COc1cc(C[NH+]2CCC(C(=O)c3ccc(C)cc3C)CC2)c([N+](=O)[O-])cc1OC ZINC000534341851 932387172 /nfs/dbraw/zinc/38/71/72/932387172.db2.gz BYRIDPLKUFLICK-UHFFFAOYSA-N 1 2 412.486 4.324 20 5 HIBDLO C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534394173 932419332 /nfs/dbraw/zinc/41/93/32/932419332.db2.gz WWLHDQFDYDAZQI-MOPGFXCFSA-N 1 2 419.884 4.227 20 5 HIBDLO C[N@H+]1CC[C@@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534394173 932419339 /nfs/dbraw/zinc/41/93/39/932419339.db2.gz WWLHDQFDYDAZQI-MOPGFXCFSA-N 1 2 419.884 4.227 20 5 HIBDLO Cc1nc(C(C)C)sc1[C@H](C)[N@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000535213629 933019472 /nfs/dbraw/zinc/01/94/72/933019472.db2.gz YUFYQPDYDMMJDE-AWEZNQCLSA-N 1 2 402.520 4.065 20 5 HIBDLO Cc1nc(C(C)C)sc1[C@H](C)[N@@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000535213629 933019476 /nfs/dbraw/zinc/01/94/76/933019476.db2.gz YUFYQPDYDMMJDE-AWEZNQCLSA-N 1 2 402.520 4.065 20 5 HIBDLO O=C(NC[C@H]1CCCC[N@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccccc1 ZINC000535553642 933239104 /nfs/dbraw/zinc/23/91/04/933239104.db2.gz MSQYJARKQBYEKB-OAQYLSRUSA-N 1 2 420.469 4.034 20 5 HIBDLO O=C(NC[C@H]1CCCC[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccccc1 ZINC000535553642 933239110 /nfs/dbraw/zinc/23/91/10/933239110.db2.gz MSQYJARKQBYEKB-OAQYLSRUSA-N 1 2 420.469 4.034 20 5 HIBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000536078854 933627484 /nfs/dbraw/zinc/62/74/84/933627484.db2.gz XZYUKEYHLIVDPJ-UHFFFAOYSA-N 1 2 405.414 4.163 20 5 HIBDLO COc1cc(C[NH2+]Cc2ccc(F)cc2F)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000537295351 933702084 /nfs/dbraw/zinc/70/20/84/933702084.db2.gz WKLMAUYNSFBNJD-UHFFFAOYSA-N 1 2 406.307 4.113 20 5 HIBDLO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CC[C@@H](n3cc(Cl)cn3)C2)cc1OC ZINC000563295667 945170916 /nfs/dbraw/zinc/17/09/16/945170916.db2.gz CLNIXZPAIPBKFI-RHSMWYFYSA-N 1 2 422.913 4.325 20 5 HIBDLO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CC[C@@H](n3cc(Cl)cn3)C2)cc1OC ZINC000563295667 945170929 /nfs/dbraw/zinc/17/09/29/945170929.db2.gz CLNIXZPAIPBKFI-RHSMWYFYSA-N 1 2 422.913 4.325 20 5 HIBDLO COc1ccc(C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)cc1OCc1cccnc1 ZINC000538726508 938692997 /nfs/dbraw/zinc/69/29/97/938692997.db2.gz YWUVKTNGWRKUSD-UHFFFAOYSA-N 1 2 405.454 4.136 20 5 HIBDLO COc1ccc(C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)cc1OCc1cccnc1 ZINC000538726508 938693001 /nfs/dbraw/zinc/69/30/01/938693001.db2.gz YWUVKTNGWRKUSD-UHFFFAOYSA-N 1 2 405.454 4.136 20 5 HIBDLO O=C(N[C@H]1CCCOc2cc(Cl)ccc21)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000539482730 938866844 /nfs/dbraw/zinc/86/68/44/938866844.db2.gz HSFOLWYKTZBXTR-INIZCTEOSA-N 1 2 412.833 4.078 20 5 HIBDLO COc1cc(C[N@H+](C)Cc2cccc(OC(F)(F)F)c2)c([N+](=O)[O-])cc1OC ZINC000539929269 938978603 /nfs/dbraw/zinc/97/86/03/938978603.db2.gz SPOKZLMJCJNTFG-UHFFFAOYSA-N 1 2 400.353 4.143 20 5 HIBDLO COc1cc(C[N@@H+](C)Cc2cccc(OC(F)(F)F)c2)c([N+](=O)[O-])cc1OC ZINC000539929269 938978604 /nfs/dbraw/zinc/97/86/04/938978604.db2.gz SPOKZLMJCJNTFG-UHFFFAOYSA-N 1 2 400.353 4.143 20 5 HIBDLO CC[N@@H+]1CC[C@H](NC(=O)NCc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540254644 939172333 /nfs/dbraw/zinc/17/23/33/939172333.db2.gz OARIWMWAHFDGOJ-OALUTQOASA-N 1 2 420.872 4.022 20 5 HIBDLO CC[N@H+]1CC[C@H](NC(=O)NCc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540254644 939172341 /nfs/dbraw/zinc/17/23/41/939172341.db2.gz OARIWMWAHFDGOJ-OALUTQOASA-N 1 2 420.872 4.022 20 5 HIBDLO O=[N+]([O-])c1cc(CNc2ccc[nH+]c2N2CCOCC2)ccc1Oc1ccc(F)cc1 ZINC000541852489 939647133 /nfs/dbraw/zinc/64/71/33/939647133.db2.gz NKLDKUOUHCUOKS-UHFFFAOYSA-N 1 2 424.432 4.370 20 5 HIBDLO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000542108624 939716490 /nfs/dbraw/zinc/71/64/90/939716490.db2.gz NCRAGLLJZOGAEW-UHFFFAOYSA-N 1 2 423.420 4.117 20 5 HIBDLO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1nc(C(F)(F)F)cs1 ZINC000543493819 940083522 /nfs/dbraw/zinc/08/35/22/940083522.db2.gz ZOWUDNNBMGNYMX-JOYOIKCWSA-N 1 2 402.398 4.138 20 5 HIBDLO CC[C@H](c1ccc(F)cc1F)[NH+]1CCN(c2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000544395380 940410846 /nfs/dbraw/zinc/41/08/46/940410846.db2.gz XBGNOMRGQMNJSP-GOSISDBHSA-N 1 2 413.428 4.090 20 5 HIBDLO O=[N+]([O-])c1cc(-c2nc(-c3cccc(Cn4cc[nH+]c4)c3)no2)ccc1OC(F)F ZINC000546276582 940758147 /nfs/dbraw/zinc/75/81/47/940758147.db2.gz UBJISBZFVYNMMC-UHFFFAOYSA-N 1 2 413.340 4.158 20 5 HIBDLO C/C(=C/c1nc(-c2ccccc2C[NH+]2CCOCC2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000547001519 940950225 /nfs/dbraw/zinc/95/02/25/940950225.db2.gz PUDHCUJMCUDWLI-PEZBUJJGSA-N 1 2 406.442 4.038 20 5 HIBDLO C[C@@H](C(=O)N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1)C(C)(F)F ZINC000549810758 941208147 /nfs/dbraw/zinc/20/81/47/941208147.db2.gz RPFDAOVBBYLUDW-AWEZNQCLSA-N 1 2 423.485 4.259 20 5 HIBDLO C[C@H](c1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)c1)[NH+]1CCOCC1 ZINC000550341990 941317012 /nfs/dbraw/zinc/31/70/12/941317012.db2.gz QHYPPOOJHNFJDH-CYBMUJFWSA-N 1 2 423.391 4.259 20 5 HIBDLO C[C@@H](c1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)c1)[NH+]1CCOCC1 ZINC000550341992 941317115 /nfs/dbraw/zinc/31/71/15/941317115.db2.gz QHYPPOOJHNFJDH-ZDUSSCGKSA-N 1 2 423.391 4.259 20 5 HIBDLO CCc1ccc([C@H]([NH2+]Cc2cccc(N3CCOCC3)c2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000551238683 941433662 /nfs/dbraw/zinc/43/36/62/941433662.db2.gz ARJCNUYXDWXJBB-XMMPIXPASA-N 1 2 421.497 4.466 20 5 HIBDLO CO[C@@H](C[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000552248655 941614174 /nfs/dbraw/zinc/61/41/74/941614174.db2.gz OBRDFEAWCWUUFA-OALUTQOASA-N 1 2 400.866 4.048 20 5 HIBDLO Cn1ccnc1[C@H]([NH2+]CCn1ccc2cc(Cl)ccc21)c1ccc([N+](=O)[O-])cc1 ZINC000552324691 941632179 /nfs/dbraw/zinc/63/21/79/941632179.db2.gz GOHJSEDHEBXSBP-HXUWFJFHSA-N 1 2 409.877 4.316 20 5 HIBDLO COc1ccc(NC(=O)CC[N@@H+]2CCc3c(ccc(Cl)c3Cl)C2)c([N+](=O)[O-])c1 ZINC000554915744 942317748 /nfs/dbraw/zinc/31/77/48/942317748.db2.gz BUHZXDHABYJJCZ-UHFFFAOYSA-N 1 2 424.284 4.297 20 5 HIBDLO COc1ccc(NC(=O)CC[N@H+]2CCc3c(ccc(Cl)c3Cl)C2)c([N+](=O)[O-])c1 ZINC000554915744 942317753 /nfs/dbraw/zinc/31/77/53/942317753.db2.gz BUHZXDHABYJJCZ-UHFFFAOYSA-N 1 2 424.284 4.297 20 5 HIBDLO CO[C@@H](C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 ZINC000556885074 942950983 /nfs/dbraw/zinc/95/09/83/942950983.db2.gz LDADFVJOYHHKPI-OALUTQOASA-N 1 2 400.866 4.048 20 5 HIBDLO O=C(NC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1)c1ccccc1 ZINC000559037372 943812042 /nfs/dbraw/zinc/81/20/42/943812042.db2.gz QRWFKSANEVACCD-UHFFFAOYSA-N 1 2 407.392 4.008 20 5 HIBDLO C[C@H](Oc1ccccc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(F)(F)F ZINC000564373081 945537957 /nfs/dbraw/zinc/53/79/57/945537957.db2.gz XRLMBZGZKPDWMJ-LBPRGKRZSA-N 1 2 420.347 4.362 20 5 HIBDLO O=C(Nc1ccc(Cn2cc[nH+]c2)cn1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000570935110 947393926 /nfs/dbraw/zinc/39/39/26/947393926.db2.gz DYGQKDQQCPYSRQ-UHFFFAOYSA-N 1 2 415.409 4.279 20 5 HIBDLO COc1ccc(C[NH2+]Cc2noc3c2CCCC3)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000571309912 947588877 /nfs/dbraw/zinc/58/88/77/947588877.db2.gz PNILLJLSRLNAMH-UHFFFAOYSA-N 1 2 423.469 4.339 20 5 HIBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH+]1CCC(c2cccc(F)c2F)CC1 ZINC000574675857 948502243 /nfs/dbraw/zinc/50/22/43/948502243.db2.gz HOGDFDOCORRURR-ZDUSSCGKSA-N 1 2 419.428 4.088 20 5 HIBDLO C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)Cc1ccc(Cl)cc1 ZINC000006910586 845222841 /nfs/dbraw/zinc/22/28/41/845222841.db2.gz OWQDDFKSYAQCHK-UHFFFAOYSA-N 1 2 412.671 4.081 20 5 HIBDLO C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)Cc1ccc(Cl)cc1 ZINC000006910586 845222853 /nfs/dbraw/zinc/22/28/53/845222853.db2.gz OWQDDFKSYAQCHK-UHFFFAOYSA-N 1 2 412.671 4.081 20 5 HIBDLO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H](O)COc1ccc2ccccc2c1 ZINC000011013219 845742942 /nfs/dbraw/zinc/74/29/42/845742942.db2.gz MPZGXTFITMYXNA-LJQANCHMSA-N 1 2 400.862 4.273 20 5 HIBDLO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H](O)COc1ccc2ccccc2c1 ZINC000011013219 845742953 /nfs/dbraw/zinc/74/29/53/845742953.db2.gz MPZGXTFITMYXNA-LJQANCHMSA-N 1 2 400.862 4.273 20 5 HIBDLO Cc1cn2cc(NC(=O)c3cc(F)cc4c(=O)c5cc(F)ccc5[nH]c34)ccc2[nH+]1 ZINC000436362949 861697689 /nfs/dbraw/zinc/69/76/89/861697689.db2.gz MARWALRWLZKBET-UHFFFAOYSA-N 1 2 404.376 4.168 20 5 HIBDLO Cc1ccc(C(=O)C2CC[NH+]([C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)c(C)c1 ZINC000026640547 847178906 /nfs/dbraw/zinc/17/89/06/847178906.db2.gz ZHKGQWWWXXDEKJ-QGZVFWFLSA-N 1 2 409.486 4.134 20 5 HIBDLO O=C(NC1CC1)c1ccc(C[N@@H+](Cc2ccco2)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000026926501 847223265 /nfs/dbraw/zinc/22/32/65/847223265.db2.gz JZQDGSMWAPHGIF-UHFFFAOYSA-N 1 2 405.454 4.282 20 5 HIBDLO O=C(NC1CC1)c1ccc(C[N@H+](Cc2ccco2)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000026926501 847223273 /nfs/dbraw/zinc/22/32/73/847223273.db2.gz JZQDGSMWAPHGIF-UHFFFAOYSA-N 1 2 405.454 4.282 20 5 HIBDLO C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccc(C(F)(F)F)cc1 ZINC000032165144 847989977 /nfs/dbraw/zinc/98/99/77/847989977.db2.gz CPTOCOIHXKSFKK-GFCCVEGCSA-N 1 2 404.348 4.290 20 5 HIBDLO O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000033228719 848129749 /nfs/dbraw/zinc/12/97/49/848129749.db2.gz SBVKCEZCHQKJDA-UHFFFAOYSA-N 1 2 406.398 4.074 20 5 HIBDLO O=C(c1ccc([N+](=O)[O-])o1)N1CC[NH+](Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC000045931562 848752841 /nfs/dbraw/zinc/75/28/41/848752841.db2.gz MZSVJNKPLJWBTI-UHFFFAOYSA-N 1 2 415.446 4.013 20 5 HIBDLO Cc1cc(-c2csc(NC(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)n2)c(C)o1 ZINC000059852481 851019785 /nfs/dbraw/zinc/01/97/85/851019785.db2.gz VWLJXILZWMVHMV-UHFFFAOYSA-N 1 2 409.427 4.366 20 5 HIBDLO C[C@H](c1cccc(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1)[NH+]1CCOCC1 ZINC000437156480 862350317 /nfs/dbraw/zinc/35/03/17/862350317.db2.gz PLFBNYJTVJYQEL-CYBMUJFWSA-N 1 2 423.391 4.259 20 5 HIBDLO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000071895399 852426430 /nfs/dbraw/zinc/42/64/30/852426430.db2.gz RRZINBLCJIEMTJ-BLRBJFNZSA-N 1 2 417.868 4.354 20 5 HIBDLO Cc1c(C[NH+]2CCN(Cc3csc(-c4ccccc4)n3)CC2)cccc1[N+](=O)[O-] ZINC000071950677 852442662 /nfs/dbraw/zinc/44/26/62/852442662.db2.gz MTBOHALIVGCKGR-UHFFFAOYSA-N 1 2 408.527 4.345 20 5 HIBDLO C[C@H]1C[C@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C(=O)N1c1ccccc1 ZINC000237719690 854082912 /nfs/dbraw/zinc/08/29/12/854082912.db2.gz QVOFURHRLUWLAK-LIRRHRJNSA-N 1 2 408.483 4.002 20 5 HIBDLO CCc1oc2ccccc2c1CN(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000248107778 854178369 /nfs/dbraw/zinc/17/83/69/854178369.db2.gz JFJSFVUJLDLQQM-UHFFFAOYSA-N 1 2 404.426 4.361 20 5 HIBDLO O=C(C[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1)Nc1ccccc1 ZINC000301109711 854298667 /nfs/dbraw/zinc/29/86/67/854298667.db2.gz SCPBXEZTGDHFPL-UHFFFAOYSA-N 1 2 422.407 4.129 20 5 HIBDLO CCOc1cc(N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)ccc1[N+](=O)[O-] ZINC000301969863 854507092 /nfs/dbraw/zinc/50/70/92/854507092.db2.gz CMPQTRYRUOEFKL-WOJBJXKFSA-N 1 2 405.882 4.131 20 5 HIBDLO CCOc1cc(N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)ccc1[N+](=O)[O-] ZINC000301969863 854507099 /nfs/dbraw/zinc/50/70/99/854507099.db2.gz CMPQTRYRUOEFKL-WOJBJXKFSA-N 1 2 405.882 4.131 20 5 HIBDLO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410052252 855801310 /nfs/dbraw/zinc/80/13/10/855801310.db2.gz IRNJVWXLQGZLKX-CYBMUJFWSA-N 1 2 403.870 4.193 20 5 HIBDLO CSc1ccc(C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)cc1[N+](=O)[O-] ZINC000410314959 855924049 /nfs/dbraw/zinc/92/40/49/855924049.db2.gz PVVGIMYKBHMBOH-UHFFFAOYSA-N 1 2 400.504 4.022 20 5 HIBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H](Sc2cccc(Cl)c2)C1 ZINC000429171711 857540809 /nfs/dbraw/zinc/54/08/09/857540809.db2.gz OKDCMBSNUCWPFH-MRXNPFEDSA-N 1 2 421.906 4.062 20 5 HIBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H](Sc2cccc(Cl)c2)C1 ZINC000429171711 857540819 /nfs/dbraw/zinc/54/08/19/857540819.db2.gz OKDCMBSNUCWPFH-MRXNPFEDSA-N 1 2 421.906 4.062 20 5 HIBDLO CC(C)([NH2+]Cc1cc2c(cc1Br)OCCO2)c1ccccc1[N+](=O)[O-] ZINC000429257255 857578549 /nfs/dbraw/zinc/57/85/49/857578549.db2.gz SHQIQECTXXRQLD-UHFFFAOYSA-N 1 2 407.264 4.153 20 5 HIBDLO CCOC(=O)c1csc(C2CC[NH+](Cc3ccc(Cl)cc3[N+](=O)[O-])CC2)n1 ZINC000429568715 857754450 /nfs/dbraw/zinc/75/44/50/857754450.db2.gz QNPSMUHGJXHDEU-UHFFFAOYSA-N 1 2 409.895 4.261 20 5 HIBDLO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000430239655 858093769 /nfs/dbraw/zinc/09/37/69/858093769.db2.gz KYBDNSXYXPWMGV-HNNXBMFYSA-N 1 2 404.772 4.099 20 5 HIBDLO Cc1cc(OCC(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)ccc1[N+](=O)[O-] ZINC000430795046 858307541 /nfs/dbraw/zinc/30/75/41/858307541.db2.gz SRNZMPIOXIPXQY-UHFFFAOYSA-N 1 2 406.442 4.121 20 5 HIBDLO Cc1cc(C)c(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c(Br)c1 ZINC000432539570 859217031 /nfs/dbraw/zinc/21/70/31/859217031.db2.gz WYYFGDKMUGPWEP-UHFFFAOYSA-N 1 2 415.247 4.412 20 5 HIBDLO C[C@H]1C[N@H+](Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC[S@@](=O)C1 ZINC000433025303 859485691 /nfs/dbraw/zinc/48/56/91/859485691.db2.gz JLZUGEWATYQEHP-PGGUUEOZSA-N 1 2 408.907 4.241 20 5 HIBDLO C[C@H]1C[N@@H+](Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC[S@@](=O)C1 ZINC000433025303 859485694 /nfs/dbraw/zinc/48/56/94/859485694.db2.gz JLZUGEWATYQEHP-PGGUUEOZSA-N 1 2 408.907 4.241 20 5 HIBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000433315862 859633853 /nfs/dbraw/zinc/63/38/53/859633853.db2.gz CMWWHCXEFSAPMX-DZGCQCFKSA-N 1 2 403.866 4.073 20 5 HIBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000433315862 859633858 /nfs/dbraw/zinc/63/38/58/859633858.db2.gz CMWWHCXEFSAPMX-DZGCQCFKSA-N 1 2 403.866 4.073 20 5 HIBDLO CCN(C(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C)c1nc2ccccc2s1 ZINC000434718199 860468673 /nfs/dbraw/zinc/46/86/73/860468673.db2.gz OIEUPTMKKVNVOC-UHFFFAOYSA-N 1 2 412.515 4.468 20 5 HIBDLO CCN(C(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C)c1nc2ccccc2s1 ZINC000434718199 860468682 /nfs/dbraw/zinc/46/86/82/860468682.db2.gz OIEUPTMKKVNVOC-UHFFFAOYSA-N 1 2 412.515 4.468 20 5 HIBDLO Cc1nn(-c2ccccc2C)c(C)c1C[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000434838475 860515376 /nfs/dbraw/zinc/51/53/76/860515376.db2.gz ZXBQQKMXMYVIBT-UHFFFAOYSA-N 1 2 405.458 4.479 20 5 HIBDLO Cc1nn(-c2ccccc2C)c(C)c1C[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000434838475 860515384 /nfs/dbraw/zinc/51/53/84/860515384.db2.gz ZXBQQKMXMYVIBT-UHFFFAOYSA-N 1 2 405.458 4.479 20 5 HIBDLO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]Cc3ccncc3OCC(F)F)cs2)c1 ZINC000441381262 866452206 /nfs/dbraw/zinc/45/22/06/866452206.db2.gz RQQVTNWVYIUTTF-UHFFFAOYSA-N 1 2 406.414 4.047 20 5 HIBDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)CSc2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000441504010 866585577 /nfs/dbraw/zinc/58/55/77/866585577.db2.gz VLWLVRMIPQBGQP-FQEVSTJZSA-N 1 2 410.499 4.058 20 5 HIBDLO O=[N+]([O-])c1ccc(OC2CC[NH+](Cc3ccn(-c4c(F)cccc4F)n3)CC2)cc1 ZINC000443612706 868179321 /nfs/dbraw/zinc/17/93/21/868179321.db2.gz GTSWXIVIMGWGDK-UHFFFAOYSA-N 1 2 414.412 4.102 20 5 HIBDLO O=C(NCc1nc(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)cs1)c1ccccc1 ZINC000447585931 871494780 /nfs/dbraw/zinc/49/47/80/871494780.db2.gz KXUIKYCFGYPIGN-HXUWFJFHSA-N 1 2 422.510 4.149 20 5 HIBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000448026747 871866239 /nfs/dbraw/zinc/86/62/39/871866239.db2.gz JQHUCOOIOQMGGX-VBKZILBWSA-N 1 2 416.909 4.478 20 5 HIBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000448026747 871866240 /nfs/dbraw/zinc/86/62/40/871866240.db2.gz JQHUCOOIOQMGGX-VBKZILBWSA-N 1 2 416.909 4.478 20 5 HIBDLO CS(=O)(=O)[C@@H]1CCC[N@H+](Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 ZINC000462075627 875185657 /nfs/dbraw/zinc/18/56/57/875185657.db2.gz RCSDKJBPIUBJTQ-QGZVFWFLSA-N 1 2 424.906 4.050 20 5 HIBDLO CS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 ZINC000462075627 875185668 /nfs/dbraw/zinc/18/56/68/875185668.db2.gz RCSDKJBPIUBJTQ-QGZVFWFLSA-N 1 2 424.906 4.050 20 5 HIBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000462497016 875611019 /nfs/dbraw/zinc/61/10/19/875611019.db2.gz VCVJIRULNIXNHN-FQEVSTJZSA-N 1 2 410.518 4.255 20 5 HIBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000462925692 875954194 /nfs/dbraw/zinc/95/41/94/875954194.db2.gz UJYRVJSBFSSGDM-MRXNPFEDSA-N 1 2 402.520 4.245 20 5 HIBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000463947954 877069913 /nfs/dbraw/zinc/06/99/13/877069913.db2.gz FIEBBTZBBLPZBO-FPOVZHCZSA-N 1 2 405.458 4.458 20 5 HIBDLO O=C(NCCn1cc[nH+]c1)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 ZINC000464542189 877755912 /nfs/dbraw/zinc/75/59/12/877755912.db2.gz FOUOQVZZDYBJRI-UHFFFAOYSA-N 1 2 402.863 4.026 20 5 HIBDLO COc1ccc(-c2ccc(C[NH2+][C@@H](CO)c3cccc(Cl)c3F)o2)c([N+](=O)[O-])c1 ZINC000466384764 880144779 /nfs/dbraw/zinc/14/47/79/880144779.db2.gz VLSKDPJYKKUNCL-KRWDZBQOSA-N 1 2 420.824 4.479 20 5 HIBDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000466790695 880570796 /nfs/dbraw/zinc/57/07/96/880570796.db2.gz MRRQBVRQIWLVKX-ZDUSSCGKSA-N 1 2 416.890 4.414 20 5 HIBDLO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000467438785 881237793 /nfs/dbraw/zinc/23/77/93/881237793.db2.gz IHBKURCUNPUBDN-UHFFFAOYSA-N 1 2 423.860 4.485 20 5 HIBDLO CC(C)(C)c1ccc(C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1[N+](=O)[O-] ZINC000469110304 883202239 /nfs/dbraw/zinc/20/22/39/883202239.db2.gz QYIGKSHQULTDDU-UHFFFAOYSA-N 1 2 410.518 4.445 20 5 HIBDLO NC(=O)c1ccc(C[N@@H+]2CCCC[C@H]2c2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1 ZINC000469528635 883800713 /nfs/dbraw/zinc/80/07/13/883800713.db2.gz GZTXOBSECSMRSX-KRWDZBQOSA-N 1 2 407.392 4.440 20 5 HIBDLO NC(=O)c1ccc(C[N@H+]2CCCC[C@H]2c2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1 ZINC000469528635 883800718 /nfs/dbraw/zinc/80/07/18/883800718.db2.gz GZTXOBSECSMRSX-KRWDZBQOSA-N 1 2 407.392 4.440 20 5 HIBDLO CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000471142995 885687262 /nfs/dbraw/zinc/68/72/62/885687262.db2.gz ICCQOYORVQLIPW-UHFFFAOYSA-N 1 2 406.442 4.446 20 5 HIBDLO C[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)Cc1nc(C(F)(F)F)cs1 ZINC000472454842 887309229 /nfs/dbraw/zinc/30/92/29/887309229.db2.gz IONMIVNJLNXGFT-UHFFFAOYSA-N 1 2 412.393 4.400 20 5 HIBDLO C[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)Cc1nc(C(F)(F)F)cs1 ZINC000472454842 887309237 /nfs/dbraw/zinc/30/92/37/887309237.db2.gz IONMIVNJLNXGFT-UHFFFAOYSA-N 1 2 412.393 4.400 20 5 HIBDLO CS(=O)(=O)c1cccc([C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)c2ccccc2)c1 ZINC000478167049 893334435 /nfs/dbraw/zinc/33/44/35/893334435.db2.gz AUSGIIBQQWHSAB-NRFANRHFSA-N 1 2 414.458 4.017 20 5 HIBDLO CC(C)CN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@@H]1CCCc2cccnc21 ZINC000479398617 894700625 /nfs/dbraw/zinc/70/06/25/894700625.db2.gz UWXUCILAKGPXTL-HXUWFJFHSA-N 1 2 419.485 4.351 20 5 HIBDLO CCC[C@@H]([NH2+][C@H](C(N)=O)c1cccc(Br)c1)c1cccc([N+](=O)[O-])c1 ZINC000479475104 894797857 /nfs/dbraw/zinc/79/78/57/894797857.db2.gz LAWRZPBXHQEDJS-SJORKVTESA-N 1 2 406.280 4.015 20 5 HIBDLO COc1ccc(NC(=O)[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)c2ccccc2)cc1 ZINC000479489953 894810937 /nfs/dbraw/zinc/81/09/37/894810937.db2.gz NLNCFTACHDNWDI-QFIPXVFZSA-N 1 2 405.454 4.381 20 5 HIBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000483243529 898885042 /nfs/dbraw/zinc/88/50/42/898885042.db2.gz VNMSNEBRYFVNMS-OAHLLOKOSA-N 1 2 404.772 4.099 20 5 HIBDLO C[C@@H](C(=O)NC(C)(C)C)[N@H+](C)Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000485725821 900976782 /nfs/dbraw/zinc/97/67/82/900976782.db2.gz PTQJOROBEIMWAH-AWEZNQCLSA-N 1 2 403.454 4.261 20 5 HIBDLO C[C@@H](C(=O)NC(C)(C)C)[N@@H+](C)Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000485725821 900976791 /nfs/dbraw/zinc/97/67/91/900976791.db2.gz PTQJOROBEIMWAH-AWEZNQCLSA-N 1 2 403.454 4.261 20 5 HIBDLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000486021476 901228786 /nfs/dbraw/zinc/22/87/86/901228786.db2.gz YIHSQPYNDFFROO-HOTGVXAUSA-N 1 2 424.501 4.031 20 5 HIBDLO COc1ccc([C@@H]([NH2+]Cc2c([N+](=O)[O-])ncn2C)c2ccc(C(F)(F)F)cc2)cc1 ZINC000486200819 901385104 /nfs/dbraw/zinc/38/51/04/901385104.db2.gz SOTKRBXHURNETD-SFHVURJKSA-N 1 2 420.391 4.235 20 5 HIBDLO Cc1ccc(Sc2ccc(C(=O)N(C)CCCn3cc[nH+]c3)cc2[N+](=O)[O-])cc1 ZINC000488256571 902730385 /nfs/dbraw/zinc/73/03/85/902730385.db2.gz AMMKEWOGZSBGBP-UHFFFAOYSA-N 1 2 410.499 4.413 20 5 HIBDLO C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000490590420 904121672 /nfs/dbraw/zinc/12/16/72/904121672.db2.gz VTLIJMUYMDKWOT-VGOFRKELSA-N 1 2 419.485 4.127 20 5 HIBDLO O=C(NCc1ccn2cc[nH+]c2c1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000492396024 904842845 /nfs/dbraw/zinc/84/28/45/904842845.db2.gz OYISNPXKDSZVRL-UHFFFAOYSA-N 1 2 404.451 4.324 20 5 HIBDLO Cn1cc([C@H]([NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c2cccc(F)c2)cn1 ZINC000494495624 905783694 /nfs/dbraw/zinc/78/36/94/905783694.db2.gz NGZKEFHBQZHXQR-GOSISDBHSA-N 1 2 408.355 4.365 20 5 HIBDLO COc1cc(C[NH2+]C2(c3nc(C)cs3)CCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000494807273 906009309 /nfs/dbraw/zinc/00/93/09/906009309.db2.gz DWXQBKKARGJYKA-UHFFFAOYSA-N 1 2 413.446 4.181 20 5 HIBDLO CCCCCC(=O)NC1CC[NH+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000512617286 921263133 /nfs/dbraw/zinc/26/31/33/921263133.db2.gz LUZXNBLSTFIPJF-UHFFFAOYSA-N 1 2 416.547 4.379 20 5 HIBDLO Cc1ccc(C)n1C1CC[NH+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000499022175 908396324 /nfs/dbraw/zinc/39/63/24/908396324.db2.gz ZFLJNSIFVMXDGM-OAHLLOKOSA-N 1 2 404.898 4.331 20 5 HIBDLO COc1cccc(OC(F)(F)F)c1C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000512983091 921452662 /nfs/dbraw/zinc/45/26/62/921452662.db2.gz LVPXCPXISRWLNO-UHFFFAOYSA-N 1 2 422.306 4.393 20 5 HIBDLO O=C(NCCc1cccc(Cl)c1Cl)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000501007278 910230068 /nfs/dbraw/zinc/23/00/68/910230068.db2.gz KNDPUCORQUWMKF-UHFFFAOYSA-N 1 2 405.241 4.060 20 5 HIBDLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C[C@H](C)O1 ZINC000501450099 910577677 /nfs/dbraw/zinc/57/76/77/910577677.db2.gz LQILSQUSDOJSFP-GJZGRUSLSA-N 1 2 409.442 4.203 20 5 HIBDLO CC(C)c1nc([C@H]2CCCCCN2C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)no1 ZINC000501775423 910831144 /nfs/dbraw/zinc/83/11/44/910831144.db2.gz ZFMJUMUJUWYWFG-QGZVFWFLSA-N 1 2 424.461 4.044 20 5 HIBDLO CS(=O)(=O)c1ccc(F)c(C[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)c1 ZINC000502551627 911558723 /nfs/dbraw/zinc/55/87/23/911558723.db2.gz ODUWXCPPCHIBQV-NRFANRHFSA-N 1 2 414.458 4.017 20 5 HIBDLO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000502637139 911670006 /nfs/dbraw/zinc/67/00/06/911670006.db2.gz NHOAVNHOTFMRDC-UHFFFAOYSA-N 1 2 400.504 4.022 20 5 HIBDLO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000506341357 914959882 /nfs/dbraw/zinc/95/98/82/914959882.db2.gz KFZYWNKAXOIMEU-HNNXBMFYSA-N 1 2 414.483 4.451 20 5 HIBDLO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000506341357 914959906 /nfs/dbraw/zinc/95/99/06/914959906.db2.gz KFZYWNKAXOIMEU-HNNXBMFYSA-N 1 2 414.483 4.451 20 5 HIBDLO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000506352323 914970982 /nfs/dbraw/zinc/97/09/82/914970982.db2.gz GQQHTKQBYDNZAD-HNNXBMFYSA-N 1 2 414.483 4.451 20 5 HIBDLO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000506352323 914971006 /nfs/dbraw/zinc/97/10/06/914971006.db2.gz GQQHTKQBYDNZAD-HNNXBMFYSA-N 1 2 414.483 4.451 20 5 HIBDLO Cc1cc([NH+]2CCCCCC2)ccc1NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000508098931 916915094 /nfs/dbraw/zinc/91/50/94/916915094.db2.gz CIDDQTWBJLWBAR-UHFFFAOYSA-N 1 2 403.504 4.226 20 5 HIBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCC[C@@H](c3nnc(C4CCCCC4)[nH]3)C2)c(F)c1 ZINC000509007434 917762049 /nfs/dbraw/zinc/76/20/49/917762049.db2.gz HGWWBCXCCTXBDC-CQSZACIVSA-N 1 2 405.449 4.418 20 5 HIBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CCC[C@@H](c3nnc(C4CCCCC4)[nH]3)C2)c(F)c1 ZINC000509007434 917762058 /nfs/dbraw/zinc/76/20/58/917762058.db2.gz HGWWBCXCCTXBDC-CQSZACIVSA-N 1 2 405.449 4.418 20 5 HIBDLO O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CCN(Cc3nccs3)CC2)s1 ZINC000509372072 918037963 /nfs/dbraw/zinc/03/79/63/918037963.db2.gz LSCOBBKRAOHFHS-UHFFFAOYSA-N 1 2 400.529 4.098 20 5 HIBDLO C[C@@H](NC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000509889243 918491105 /nfs/dbraw/zinc/49/11/05/918491105.db2.gz XPQFAIPEDDFIMQ-BRWVUGGUSA-N 1 2 412.490 4.087 20 5 HIBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC([C@@H](F)c2ccccc2F)CC1 ZINC000511097220 919702462 /nfs/dbraw/zinc/70/24/62/919702462.db2.gz UVAICKSDPGTPIQ-VBKZILBWSA-N 1 2 403.429 4.484 20 5 HIBDLO Cn1ccnc1[C@@H]([NH2+]CCOc1ccc(C(F)(F)F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000513713843 922034794 /nfs/dbraw/zinc/03/47/94/922034794.db2.gz USKYLZVQHAVQSV-SFHVURJKSA-N 1 2 420.391 4.105 20 5 HIBDLO O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CC[NH2+][C@H](c2cccc(Cl)c2)C1 ZINC000513991374 922313273 /nfs/dbraw/zinc/31/32/73/922313273.db2.gz GBSOLUWBEPWCBS-INIZCTEOSA-N 1 2 413.783 4.054 20 5 HIBDLO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000516558062 923795938 /nfs/dbraw/zinc/79/59/38/923795938.db2.gz OYUWNVXJFDQEKY-UHFFFAOYSA-N 1 2 411.487 4.379 20 5 HIBDLO C[C@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)[N@@H+]1CCc2sccc2C1 ZINC000520020598 928245105 /nfs/dbraw/zinc/24/51/05/928245105.db2.gz XSDJFGQAKJOXTC-GFCCVEGCSA-N 1 2 401.513 4.048 20 5 HIBDLO C[C@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)[N@H+]1CCc2sccc2C1 ZINC000520020598 928245118 /nfs/dbraw/zinc/24/51/18/928245118.db2.gz XSDJFGQAKJOXTC-GFCCVEGCSA-N 1 2 401.513 4.048 20 5 HIBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000521131161 929012834 /nfs/dbraw/zinc/01/28/34/929012834.db2.gz JFUAYTYVLKATDV-MRXNPFEDSA-N 1 2 405.857 4.090 20 5 HIBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000521131161 929012837 /nfs/dbraw/zinc/01/28/37/929012837.db2.gz JFUAYTYVLKATDV-MRXNPFEDSA-N 1 2 405.857 4.090 20 5 HIBDLO CC(C)([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)c1cn(-c2ccccc2)nn1 ZINC000531783164 931195881 /nfs/dbraw/zinc/19/58/81/931195881.db2.gz KZFYSGVDOOFPHJ-UHFFFAOYSA-N 1 2 403.442 4.460 20 5 HIBDLO COCCOc1cc(C)ccc1C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000532289022 931385888 /nfs/dbraw/zinc/38/58/88/931385888.db2.gz FVVNQKBAZLYLAE-UHFFFAOYSA-N 1 2 413.499 4.342 20 5 HIBDLO COc1ccc2[nH]cc(C3=CC[N@H+](CC(=O)Nc4ccc([N+](=O)[O-])cc4C)CC3)c2c1 ZINC000533351414 931846197 /nfs/dbraw/zinc/84/61/97/931846197.db2.gz HDUBDUDHDXVUFA-UHFFFAOYSA-N 1 2 420.469 4.121 20 5 HIBDLO COc1ccc2[nH]cc(C3=CC[N@@H+](CC(=O)Nc4ccc([N+](=O)[O-])cc4C)CC3)c2c1 ZINC000533351414 931846199 /nfs/dbraw/zinc/84/61/99/931846199.db2.gz HDUBDUDHDXVUFA-UHFFFAOYSA-N 1 2 420.469 4.121 20 5 HIBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000533426835 931865124 /nfs/dbraw/zinc/86/51/24/931865124.db2.gz JEZKKZZRHWYSBV-PBHICJAKSA-N 1 2 424.432 4.440 20 5 HIBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000533426835 931865125 /nfs/dbraw/zinc/86/51/25/931865125.db2.gz JEZKKZZRHWYSBV-PBHICJAKSA-N 1 2 424.432 4.440 20 5 HIBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000533426838 931865141 /nfs/dbraw/zinc/86/51/41/931865141.db2.gz JEZKKZZRHWYSBV-YOEHRIQHSA-N 1 2 424.432 4.440 20 5 HIBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000533426838 931865142 /nfs/dbraw/zinc/86/51/42/931865142.db2.gz JEZKKZZRHWYSBV-YOEHRIQHSA-N 1 2 424.432 4.440 20 5 HIBDLO CSc1ccc(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)cc1[N+](=O)[O-] ZINC000533845883 932058195 /nfs/dbraw/zinc/05/81/95/932058195.db2.gz RJNPSUMRIVOGPQ-UHFFFAOYSA-N 1 2 406.467 4.484 20 5 HIBDLO C[C@H](O)[C@H]1CCC[N@@H+]([C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C1 ZINC000534109403 932283745 /nfs/dbraw/zinc/28/37/45/932283745.db2.gz AVNUSIMHEDSSPA-DKICVRJWSA-N 1 2 417.893 4.021 20 5 HIBDLO C[C@H](O)[C@H]1CCC[N@H+]([C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C1 ZINC000534109403 932283749 /nfs/dbraw/zinc/28/37/49/932283749.db2.gz AVNUSIMHEDSSPA-DKICVRJWSA-N 1 2 417.893 4.021 20 5 HIBDLO C[N@@H+]1CC[C@@H](NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534391449 932415537 /nfs/dbraw/zinc/41/55/37/932415537.db2.gz KQRNSKIXEXVEPI-MJGOQNOKSA-N 1 2 416.840 4.044 20 5 HIBDLO C[N@H+]1CC[C@@H](NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534391449 932415539 /nfs/dbraw/zinc/41/55/39/932415539.db2.gz KQRNSKIXEXVEPI-MJGOQNOKSA-N 1 2 416.840 4.044 20 5 HIBDLO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3ccc(N(C)c4ccccc4)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000535810922 933407335 /nfs/dbraw/zinc/40/73/35/933407335.db2.gz FGNSIYBQYHXLDA-PTUXOGIPSA-N 1 2 411.502 4.131 20 5 HIBDLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3ccc(N(C)c4ccccc4)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000535810922 933407340 /nfs/dbraw/zinc/40/73/40/933407340.db2.gz FGNSIYBQYHXLDA-PTUXOGIPSA-N 1 2 411.502 4.131 20 5 HIBDLO COc1ccc(-c2ccc(CNc3ccccc3C[NH+]3CCOCC3)o2)c([N+](=O)[O-])c1 ZINC000536101115 933654266 /nfs/dbraw/zinc/65/42/66/933654266.db2.gz LVRVORGLIFPZGS-UHFFFAOYSA-N 1 2 423.469 4.308 20 5 HIBDLO Cc1ccc([C@@H](C)[NH2+]Cc2csc(CC(=O)Nc3ccccc3)n2)cc1[N+](=O)[O-] ZINC000538279990 938582422 /nfs/dbraw/zinc/58/24/22/938582422.db2.gz SHFYPLJLCFVUCV-OAHLLOKOSA-N 1 2 410.499 4.392 20 5 HIBDLO C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000539568984 938881578 /nfs/dbraw/zinc/88/15/78/938881578.db2.gz UXBYJZANDJUAKE-LJQANCHMSA-N 1 2 421.419 4.237 20 5 HIBDLO C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000539568984 938881580 /nfs/dbraw/zinc/88/15/80/938881580.db2.gz UXBYJZANDJUAKE-LJQANCHMSA-N 1 2 421.419 4.237 20 5 HIBDLO Cc1ccc([C@@H](C)[NH2+]Cc2nnc3c(Cl)cc(C(F)(F)F)cn23)cc1[N+](=O)[O-] ZINC000540167275 939099828 /nfs/dbraw/zinc/09/98/28/939099828.db2.gz AAWKLLPSIBEJTM-SNVBAGLBSA-N 1 2 413.787 4.469 20 5 HIBDLO CC[N@@H+]1CC[C@@H](NC(=O)NCc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540254643 939172356 /nfs/dbraw/zinc/17/23/56/939172356.db2.gz OARIWMWAHFDGOJ-MOPGFXCFSA-N 1 2 420.872 4.022 20 5 HIBDLO CC[N@H+]1CC[C@@H](NC(=O)NCc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540254643 939172360 /nfs/dbraw/zinc/17/23/60/939172360.db2.gz OARIWMWAHFDGOJ-MOPGFXCFSA-N 1 2 420.872 4.022 20 5 HIBDLO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000541186784 939484857 /nfs/dbraw/zinc/48/48/57/939484857.db2.gz OBAKMEOTRVYJHN-UHFFFAOYSA-N 1 2 413.522 4.016 20 5 HIBDLO O=C(NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1)c1ccc([N+](=O)[O-])s1 ZINC000541297985 939489948 /nfs/dbraw/zinc/48/99/48/939489948.db2.gz MFYBIZRYZVTJHG-UHFFFAOYSA-N 1 2 414.314 4.358 20 5 HIBDLO CC(C)COC[C@H]([NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccco1 ZINC000541626009 939574545 /nfs/dbraw/zinc/57/45/45/939574545.db2.gz CNBNGXOKLRIIFL-DYVFJYSZSA-N 1 2 409.870 4.172 20 5 HIBDLO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1)Cn1cc[nH+]c1 ZINC000541671549 939596354 /nfs/dbraw/zinc/59/63/54/939596354.db2.gz XRGIBYBBNUPNIK-HNNXBMFYSA-N 1 2 402.520 4.140 20 5 HIBDLO COc1cccc([C@H]2C[C@H](C)C[N@@H+]2CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000542255261 939774029 /nfs/dbraw/zinc/77/40/29/939774029.db2.gz QSKYZLWSLABHOA-ORAYPTAESA-N 1 2 403.866 4.278 20 5 HIBDLO COc1cccc([C@H]2C[C@H](C)C[N@H+]2CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000542255261 939774030 /nfs/dbraw/zinc/77/40/30/939774030.db2.gz QSKYZLWSLABHOA-ORAYPTAESA-N 1 2 403.866 4.278 20 5 HIBDLO COc1cccc([C@@H]2C[C@@H](C)C[N@@H+]2CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000542255262 939774065 /nfs/dbraw/zinc/77/40/65/939774065.db2.gz QSKYZLWSLABHOA-YJYMSZOUSA-N 1 2 403.866 4.278 20 5 HIBDLO COc1cccc([C@@H]2C[C@@H](C)C[N@H+]2CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000542255262 939774068 /nfs/dbraw/zinc/77/40/68/939774068.db2.gz QSKYZLWSLABHOA-YJYMSZOUSA-N 1 2 403.866 4.278 20 5 HIBDLO COc1c(C)c[nH+]c(CN(C)C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])c1C ZINC000542355232 939806428 /nfs/dbraw/zinc/80/64/28/939806428.db2.gz WMRIZPDSWVADIP-UHFFFAOYSA-N 1 2 409.895 4.019 20 5 HIBDLO CCc1ccc([C@H]([NH2+]Cc2ccc(-n3cncn3)cc2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000542494429 939832701 /nfs/dbraw/zinc/83/27/01/939832701.db2.gz JOSDRRYVBVLEFP-JOCHJYFZSA-N 1 2 403.442 4.210 20 5 HIBDLO Cc1c(NC(=O)CC[NH2+][C@H](C)c2nc(C3CCCCC3)no2)cccc1[N+](=O)[O-] ZINC000542621715 939849450 /nfs/dbraw/zinc/84/94/50/939849450.db2.gz LCEKWTYTGFYGIF-CQSZACIVSA-N 1 2 401.467 4.013 20 5 HIBDLO C[C@H](C(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1)c1ccc([N+](=O)[O-])cc1F ZINC000542688325 939854235 /nfs/dbraw/zinc/85/42/35/939854235.db2.gz BAZRUOOEMFZDDZ-ZDUSSCGKSA-N 1 2 406.483 4.165 20 5 HIBDLO COc1cccc(OC)c1OC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000542929936 939880308 /nfs/dbraw/zinc/88/03/08/939880308.db2.gz JEZMONHWPDOBLZ-UHFFFAOYSA-N 1 2 406.866 4.309 20 5 HIBDLO C[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1c2ccccc2-c2ccccc21 ZINC000543138960 939966153 /nfs/dbraw/zinc/96/61/53/939966153.db2.gz IKZMKXTWLWOQLJ-UHFFFAOYSA-N 1 2 408.479 4.070 20 5 HIBDLO C[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1c2ccccc2-c2ccccc21 ZINC000543138960 939966161 /nfs/dbraw/zinc/96/61/61/939966161.db2.gz IKZMKXTWLWOQLJ-UHFFFAOYSA-N 1 2 408.479 4.070 20 5 HIBDLO CCNC(=O)c1ccc(C[NH2+][C@@H](c2ccc(CC)o2)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000543406735 940054959 /nfs/dbraw/zinc/05/49/59/940054959.db2.gz QHWCMLKXZJPIDN-JOCHJYFZSA-N 1 2 407.470 4.379 20 5 HIBDLO CC[N@H+](Cc1cn(C)nn1)Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000543778865 940184180 /nfs/dbraw/zinc/18/41/80/940184180.db2.gz ABGJVWGWEBWXOE-UHFFFAOYSA-N 1 2 401.854 4.191 20 5 HIBDLO CC[N@@H+](Cc1cn(C)nn1)Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000543778865 940184184 /nfs/dbraw/zinc/18/41/84/940184184.db2.gz ABGJVWGWEBWXOE-UHFFFAOYSA-N 1 2 401.854 4.191 20 5 HIBDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)c(C)c1 ZINC000544417095 940417719 /nfs/dbraw/zinc/41/77/19/940417719.db2.gz OLYUONIAQIABCG-HRAATJIYSA-N 1 2 410.449 4.208 20 5 HIBDLO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2nc(C(C)(C)C)cs2)c([N+](=O)[O-])c1 ZINC000544489918 940454954 /nfs/dbraw/zinc/45/49/54/940454954.db2.gz DGWCDDDDCMXBJG-RYUDHWBXSA-N 1 2 406.508 4.035 20 5 HIBDLO Cc1nc(NCc2cccc(C(=O)N(Cc3cccc([N+](=O)[O-])c3)C3CC3)c2)cc[nH+]1 ZINC000544556338 940477855 /nfs/dbraw/zinc/47/78/55/940477855.db2.gz LPNYXWJOBKZZIR-UHFFFAOYSA-N 1 2 417.469 4.110 20 5 HIBDLO COc1ccc(CSCc2nc(-c3cccc(-n4cc[nH+]c4)c3)no2)cc1[N+](=O)[O-] ZINC000544794913 940514863 /nfs/dbraw/zinc/51/48/63/940514863.db2.gz ARVRJJKQOYJIAU-UHFFFAOYSA-N 1 2 423.454 4.273 20 5 HIBDLO C[C@@H](c1cccc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)c1)[NH+]1CCOCC1 ZINC000545125122 940545320 /nfs/dbraw/zinc/54/53/20/940545320.db2.gz DXLLLYJHHZIVCQ-HNNXBMFYSA-N 1 2 415.465 4.043 20 5 HIBDLO C[C@](O)(C1CC[NH+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1)C(F)(F)F ZINC000545244470 940558232 /nfs/dbraw/zinc/55/82/32/940558232.db2.gz IRRQVYPDSKVNEC-KRWDZBQOSA-N 1 2 415.437 4.244 20 5 HIBDLO Cn1c[nH+]cc1Cc1noc(-c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)n1 ZINC000546554129 940851138 /nfs/dbraw/zinc/85/11/38/940851138.db2.gz JQUDOHQHQYGLAX-UHFFFAOYSA-N 1 2 411.805 4.415 20 5 HIBDLO CC(C)([C@H](NCc1cc(O)ccc1[N+](=O)[O-])c1ccc(F)c(F)c1)[NH+]1CCCC1 ZINC000549543408 941198887 /nfs/dbraw/zinc/19/88/87/941198887.db2.gz JISIJEJRMKQKQY-HXUWFJFHSA-N 1 2 405.445 4.284 20 5 HIBDLO Cn1ccnc1[C@H]([NH2+]CCn1ccc2cc(Cl)ccc21)c1cccc([N+](=O)[O-])c1 ZINC000552090666 941583276 /nfs/dbraw/zinc/58/32/76/941583276.db2.gz QHPGZRRJFXKASC-HXUWFJFHSA-N 1 2 409.877 4.316 20 5 HIBDLO COC(=O)c1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)c(Br)c1 ZINC000556599299 942911280 /nfs/dbraw/zinc/91/12/80/942911280.db2.gz ZUKZPECBODHTNM-UHFFFAOYSA-N 1 2 413.655 4.087 20 5 HIBDLO Cn1ccnc1[C@@H]([NH2+]C[C@@H](c1ccccc1)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000556891241 942954295 /nfs/dbraw/zinc/95/42/95/942954295.db2.gz COWNQBBRSYRKMT-ROUUACIJSA-N 1 2 404.392 4.353 20 5 HIBDLO COC1(C)CC[NH+]([C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CC1 ZINC000557571013 943214166 /nfs/dbraw/zinc/21/41/66/943214166.db2.gz HUGALFAMGHOKFZ-IBGZPJMESA-N 1 2 417.893 4.429 20 5 HIBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000558513049 943583105 /nfs/dbraw/zinc/58/31/05/943583105.db2.gz CDRMJLAYRXVJSU-IEBWSBKVSA-N 1 2 404.417 4.002 20 5 HIBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000558513049 943583112 /nfs/dbraw/zinc/58/31/12/943583112.db2.gz CDRMJLAYRXVJSU-IEBWSBKVSA-N 1 2 404.417 4.002 20 5 HIBDLO O=C(NC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1)C1CCCCC1 ZINC000559129872 943849942 /nfs/dbraw/zinc/84/99/42/943849942.db2.gz MKAIWTISXWOYLI-UHFFFAOYSA-N 1 2 413.440 4.275 20 5 HIBDLO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)c1nc(C(F)(F)F)cs1 ZINC000573139962 948085756 /nfs/dbraw/zinc/08/57/56/948085756.db2.gz UCRIHJPQOJHZDF-WDEREUQCSA-N 1 2 416.425 4.446 20 5 HIBDLO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)c1nc(C(F)(F)F)cs1 ZINC000573139959 948086054 /nfs/dbraw/zinc/08/60/54/948086054.db2.gz UCRIHJPQOJHZDF-GHMZBOCLSA-N 1 2 416.425 4.446 20 5 HIBDLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000436061381 861344740 /nfs/dbraw/zinc/34/47/40/861344740.db2.gz BILDAXDOSSTXQO-UHFFFAOYSA-N 1 2 416.387 4.398 20 5 HIBDLO Cc1c(C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000031895304 847962460 /nfs/dbraw/zinc/96/24/60/847962460.db2.gz OXSKMXLHISWKGI-GOSISDBHSA-N 1 2 405.857 4.263 20 5 HIBDLO Cc1nc(-c2ccc(NC(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)cc2)cs1 ZINC000032047524 847982345 /nfs/dbraw/zinc/98/23/45/847982345.db2.gz FVVWNDODPXXXKB-UHFFFAOYSA-N 1 2 405.439 4.465 20 5 HIBDLO C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 ZINC000032483575 848037394 /nfs/dbraw/zinc/03/73/94/848037394.db2.gz FCYYBLDZALGJLH-LBPRGKRZSA-N 1 2 404.348 4.290 20 5 HIBDLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)O1 ZINC000046342071 848826539 /nfs/dbraw/zinc/82/65/39/848826539.db2.gz VHPVPTSWJNVYOY-KBPBESRZSA-N 1 2 403.866 4.110 20 5 HIBDLO O=C(NC1CCN(c2cccc[nH+]2)CC1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000047123577 848987991 /nfs/dbraw/zinc/98/79/91/848987991.db2.gz OPQVCGFQKHVIKH-UHFFFAOYSA-N 1 2 417.469 4.132 20 5 HIBDLO CCc1cc(NCc2ccc(Cn3cc[nH+]c3)cc2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000053572849 849733179 /nfs/dbraw/zinc/73/31/79/849733179.db2.gz RHHZWSKTRNCFIL-UHFFFAOYSA-N 1 2 414.469 4.471 20 5 HIBDLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000060442381 851101708 /nfs/dbraw/zinc/10/17/08/851101708.db2.gz OORUQBWHKPXPPI-UHFFFAOYSA-N 1 2 422.485 4.231 20 5 HIBDLO O=[N+]([O-])c1cc(C[NH2+]Cc2nnc3ccccn32)ccc1Oc1ccccc1Cl ZINC000061029238 851278624 /nfs/dbraw/zinc/27/86/24/851278624.db2.gz ARGUMSWUFCATIC-UHFFFAOYSA-N 1 2 409.833 4.373 20 5 HIBDLO O=[N+]([O-])c1ccccc1-c1ccc(CN2CC[NH+](CCc3ccncc3)CC2)s1 ZINC000061310650 851344855 /nfs/dbraw/zinc/34/48/55/851344855.db2.gz FGHZZMZETKPZPY-UHFFFAOYSA-N 1 2 408.527 4.079 20 5 HIBDLO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000071990113 852455798 /nfs/dbraw/zinc/45/57/98/852455798.db2.gz OEWUCZRKEDTMAV-UHFFFAOYSA-N 1 2 417.531 4.469 20 5 HIBDLO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000071990113 852455799 /nfs/dbraw/zinc/45/57/99/852455799.db2.gz OEWUCZRKEDTMAV-UHFFFAOYSA-N 1 2 417.531 4.469 20 5 HIBDLO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1cc2ccccc2c2cccnc12 ZINC000084536137 852544552 /nfs/dbraw/zinc/54/45/52/852544552.db2.gz KXZKJVICORRZRI-NRFANRHFSA-N 1 2 411.505 4.019 20 5 HIBDLO O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1cc2ccccc2c2cccnc12 ZINC000084536137 852544561 /nfs/dbraw/zinc/54/45/61/852544561.db2.gz KXZKJVICORRZRI-NRFANRHFSA-N 1 2 411.505 4.019 20 5 HIBDLO C[C@H]([NH2+]Cc1ncc(Br)cc1Br)c1cccc([N+](=O)[O-])c1 ZINC000135294591 853375283 /nfs/dbraw/zinc/37/52/83/853375283.db2.gz WEBHAKOCHYKWNC-VIFPVBQESA-N 1 2 415.085 4.366 20 5 HIBDLO O=C(c1ccccc1)c1ccc(NCc2cc[nH+]c(N3CCCC3)c2)c([N+](=O)[O-])c1 ZINC000137914532 853377320 /nfs/dbraw/zinc/37/73/20/853377320.db2.gz BNGPTZWNXUDHRQ-UHFFFAOYSA-N 1 2 402.454 4.433 20 5 HIBDLO O=C(CCNc1ccccc1[N+](=O)[O-])Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000195623662 853721811 /nfs/dbraw/zinc/72/18/11/853721811.db2.gz RHMAQPZBAYTNRA-UHFFFAOYSA-N 1 2 405.458 4.235 20 5 HIBDLO CCc1ccc([C@@H](COC)[NH2+]Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)o1 ZINC000236965259 853943026 /nfs/dbraw/zinc/94/30/26/853943026.db2.gz FIPUVDYXZRLEEA-GOSISDBHSA-N 1 2 400.431 4.496 20 5 HIBDLO Cc1cc(Sc2nnc([C@@H](C)[NH+](C)C)n2-c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000301129855 854306472 /nfs/dbraw/zinc/30/64/72/854306472.db2.gz ZTDAFJJHXKBFHZ-CYBMUJFWSA-N 1 2 401.467 4.397 20 5 HIBDLO Cc1ccc([N+](=O)[O-])c(Sc2nnc([C@H](C)[NH+](C)C)n2-c2ccc(F)cc2)c1 ZINC000301538617 854416041 /nfs/dbraw/zinc/41/60/41/854416041.db2.gz BAFGQXBNQNWHKU-ZDUSSCGKSA-N 1 2 401.467 4.397 20 5 HIBDLO CCc1ccc([C@@H]([NH2+]Cc2cc3ccccc3n(C)c2=O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000426314697 856240078 /nfs/dbraw/zinc/24/00/78/856240078.db2.gz QSLYTLZCNIVKPT-QHCPKHFHSA-N 1 2 417.465 4.481 20 5 HIBDLO CO[C@H](C)c1nc(CN2CCC[N@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])CC2)cs1 ZINC000437512246 862860769 /nfs/dbraw/zinc/86/07/69/862860769.db2.gz DZBANQJGCDFKQC-CQSZACIVSA-N 1 2 424.954 4.120 20 5 HIBDLO CO[C@H](C)c1nc(CN2CCC[N@@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])CC2)cs1 ZINC000437512246 862860778 /nfs/dbraw/zinc/86/07/78/862860778.db2.gz DZBANQJGCDFKQC-CQSZACIVSA-N 1 2 424.954 4.120 20 5 HIBDLO Cc1ccc(NC(=O)c2ccc(N(C)Cc3cn4c([nH+]3)CCCC4)c([N+](=O)[O-])c2)cc1 ZINC000428696705 857300646 /nfs/dbraw/zinc/30/06/46/857300646.db2.gz ZLXOEUQDKAKDAH-UHFFFAOYSA-N 1 2 419.485 4.325 20 5 HIBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCN(c2cccc(F)c2)C[C@@H]1C ZINC000429261292 857580510 /nfs/dbraw/zinc/58/05/10/857580510.db2.gz FFKTZXPQCIIINK-GJZGRUSLSA-N 1 2 411.437 4.056 20 5 HIBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCN(c2cccc(F)c2)C[C@@H]1C ZINC000429261292 857580516 /nfs/dbraw/zinc/58/05/16/857580516.db2.gz FFKTZXPQCIIINK-GJZGRUSLSA-N 1 2 411.437 4.056 20 5 HIBDLO COCC[N@H+](Cc1ccc(Br)s1)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430238085 858093754 /nfs/dbraw/zinc/09/37/54/858093754.db2.gz QACYJPAQWFOJCS-UHFFFAOYSA-N 1 2 415.309 4.076 20 5 HIBDLO COCC[N@@H+](Cc1ccc(Br)s1)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430238085 858093758 /nfs/dbraw/zinc/09/37/58/858093758.db2.gz QACYJPAQWFOJCS-UHFFFAOYSA-N 1 2 415.309 4.076 20 5 HIBDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)NC(C)(C)c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000431077734 858437264 /nfs/dbraw/zinc/43/72/64/858437264.db2.gz PUMGCYLRKRNOKD-CQSZACIVSA-N 1 2 417.535 4.340 20 5 HIBDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)NC(C)(C)c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000431077734 858437266 /nfs/dbraw/zinc/43/72/66/858437266.db2.gz PUMGCYLRKRNOKD-CQSZACIVSA-N 1 2 417.535 4.340 20 5 HIBDLO Cc1ccc([C@H](C)NC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1[N+](=O)[O-] ZINC000434281111 860249327 /nfs/dbraw/zinc/24/93/27/860249327.db2.gz PSBKWUVLUWEVHU-INIZCTEOSA-N 1 2 411.506 4.086 20 5 HIBDLO CCOc1ccc(CN(CCCn2cc[nH+]c2)c2ncc(Cl)cc2[N+](=O)[O-])cc1 ZINC000434941128 860565882 /nfs/dbraw/zinc/56/58/82/860565882.db2.gz ASJYPJXKPPYWAI-UHFFFAOYSA-N 1 2 415.881 4.335 20 5 HIBDLO Cc1c(CC(=O)N(CCn2cc[nH+]c2)Cc2cccc(Cl)c2)cccc1[N+](=O)[O-] ZINC000435332001 860743337 /nfs/dbraw/zinc/74/33/37/860743337.db2.gz JQLYJFKCPIUDTB-UHFFFAOYSA-N 1 2 412.877 4.025 20 5 HIBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCc2c3cccc(F)c3[nH]c2C1 ZINC000439462817 864840744 /nfs/dbraw/zinc/84/07/44/864840744.db2.gz ADTBTOVEDIOKME-UHFFFAOYSA-N 1 2 410.449 4.301 20 5 HIBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCCc2c3cccc(F)c3[nH]c2C1 ZINC000439462817 864840748 /nfs/dbraw/zinc/84/07/48/864840748.db2.gz ADTBTOVEDIOKME-UHFFFAOYSA-N 1 2 410.449 4.301 20 5 HIBDLO CSc1ccc(C(=O)N[C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC000441490751 866574468 /nfs/dbraw/zinc/57/44/68/866574468.db2.gz RHWWWTUOQXRQPF-GOSISDBHSA-N 1 2 410.499 4.301 20 5 HIBDLO O=C(NCc1nc(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)cs1)c1ccccc1 ZINC000447585930 871493278 /nfs/dbraw/zinc/49/32/78/871493278.db2.gz KXUIKYCFGYPIGN-FQEVSTJZSA-N 1 2 422.510 4.149 20 5 HIBDLO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000447672862 871604187 /nfs/dbraw/zinc/60/41/87/871604187.db2.gz RHWMREIPOQYJMR-UHFFFAOYSA-N 1 2 402.882 4.109 20 5 HIBDLO COc1c(C)c[nH+]c(CN(C)c2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])c1C ZINC000447691376 871626035 /nfs/dbraw/zinc/62/60/35/871626035.db2.gz QQDRQLPWEHGAMP-UHFFFAOYSA-N 1 2 420.338 4.301 20 5 HIBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC[C@@H](CSc2ccccc2)C1 ZINC000464344707 877535412 /nfs/dbraw/zinc/53/54/12/877535412.db2.gz UCEHEXYQXGMIJV-MRXNPFEDSA-N 1 2 408.483 4.035 20 5 HIBDLO Cc1ccc([C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c2ccccn2)cc1 ZINC000503288771 912271110 /nfs/dbraw/zinc/27/11/10/912271110.db2.gz ZQHHAMIQNXSKKG-JOCHJYFZSA-N 1 2 413.437 4.003 20 5 HIBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCN(C(=O)Cc2cccc(Cl)c2)[C@H](C)C1 ZINC000464777537 878022432 /nfs/dbraw/zinc/02/24/32/878022432.db2.gz VFTBNHCESHDNPR-CVEARBPZSA-N 1 2 401.894 4.085 20 5 HIBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCN(C(=O)Cc2cccc(Cl)c2)[C@H](C)C1 ZINC000464777537 878022446 /nfs/dbraw/zinc/02/24/46/878022446.db2.gz VFTBNHCESHDNPR-CVEARBPZSA-N 1 2 401.894 4.085 20 5 HIBDLO C[C@H](c1nc(-c2cccs2)no1)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464781414 878027024 /nfs/dbraw/zinc/02/70/24/878027024.db2.gz ZFTRWGTVXJIHQD-CYBMUJFWSA-N 1 2 400.460 4.311 20 5 HIBDLO CC[C@@](C)([NH2+]Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])c1nc(C)cs1 ZINC000464805417 878051007 /nfs/dbraw/zinc/05/10/07/878051007.db2.gz LEQVGJBCZGKHHB-QGZVFWFLSA-N 1 2 401.435 4.385 20 5 HIBDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)NCc3ccc([N+](=O)[O-])cc3Cl)n2)C1 ZINC000466474537 880257322 /nfs/dbraw/zinc/25/73/22/880257322.db2.gz PAXFVNKWVCWDAH-LBPRGKRZSA-N 1 2 423.926 4.258 20 5 HIBDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)NCc3ccc([N+](=O)[O-])cc3Cl)n2)C1 ZINC000466474537 880257332 /nfs/dbraw/zinc/25/73/32/880257332.db2.gz PAXFVNKWVCWDAH-LBPRGKRZSA-N 1 2 423.926 4.258 20 5 HIBDLO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](OCc3ccccc3F)C2)cccc1[N+](=O)[O-] ZINC000470922315 885427968 /nfs/dbraw/zinc/42/79/68/885427968.db2.gz WFRANYVNNYRIRN-AEFFLSMTSA-N 1 2 415.465 4.051 20 5 HIBDLO Cc1c(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](OCc3ccccc3F)C2)cccc1[N+](=O)[O-] ZINC000470922315 885427976 /nfs/dbraw/zinc/42/79/76/885427976.db2.gz WFRANYVNNYRIRN-AEFFLSMTSA-N 1 2 415.465 4.051 20 5 HIBDLO Cc1ccc([C@H]([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccn2)cc1 ZINC000471077167 885601959 /nfs/dbraw/zinc/60/19/59/885601959.db2.gz ZALIGDSROCXEQZ-NRFANRHFSA-N 1 2 410.861 4.269 20 5 HIBDLO COc1cccc(C=C2CCN(C(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)CC2)c1 ZINC000472977880 887822170 /nfs/dbraw/zinc/82/21/70/887822170.db2.gz LKEJGTXGMQTSOI-UHFFFAOYSA-N 1 2 418.453 4.109 20 5 HIBDLO CN(c1ccccc1)c1ccc(C[NH2+]Cc2ncnn2-c2ccccc2)cc1[N+](=O)[O-] ZINC000475280708 890177604 /nfs/dbraw/zinc/17/76/04/890177604.db2.gz OSWDAGBLEGIUTA-UHFFFAOYSA-N 1 2 414.469 4.233 20 5 HIBDLO Cc1nc(-c2ccccc2NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cs1 ZINC000477677348 892806168 /nfs/dbraw/zinc/80/61/68/892806168.db2.gz VHKARZMRWALCIT-UHFFFAOYSA-N 1 2 405.439 4.465 20 5 HIBDLO COc1ccc(N(CCC(C)C)C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1 ZINC000477891153 892957503 /nfs/dbraw/zinc/95/75/03/892957503.db2.gz BYEFUFQDJAZVNC-UHFFFAOYSA-N 1 2 408.458 4.482 20 5 HIBDLO COc1cc(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)cc([N+](=O)[O-])c1C ZINC000478670128 893918596 /nfs/dbraw/zinc/91/85/96/893918596.db2.gz RSXSUDFXBXKBOW-UHFFFAOYSA-N 1 2 406.442 4.364 20 5 HIBDLO COc1ccc(NC(=O)[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)c2ccccc2)cc1 ZINC000479489952 894810726 /nfs/dbraw/zinc/81/07/26/894810726.db2.gz NLNCFTACHDNWDI-JOCHJYFZSA-N 1 2 405.454 4.381 20 5 HIBDLO O=C(N[C@H](c1ccccc1)c1ccc(F)cc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000481659434 897042960 /nfs/dbraw/zinc/04/29/60/897042960.db2.gz OWYWMHCJUIIVMB-JOCHJYFZSA-N 1 2 416.412 4.439 20 5 HIBDLO O=C(N[C@@H]1C[C@H]1c1ccccc1C(F)(F)F)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000505483981 914165375 /nfs/dbraw/zinc/16/53/75/914165375.db2.gz NYXQUZAFYVWHNR-GOEBONIOSA-N 1 2 416.359 4.085 20 5 HIBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+](CCCO)Cc3ccc(Cl)c(Cl)c3)nc2c1 ZINC000482687564 898287651 /nfs/dbraw/zinc/28/76/51/898287651.db2.gz CHXYXTFAEHAQND-UHFFFAOYSA-N 1 2 409.273 4.163 20 5 HIBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+](CCCO)Cc3ccc(Cl)c(Cl)c3)nc2c1 ZINC000482687564 898287666 /nfs/dbraw/zinc/28/76/66/898287666.db2.gz CHXYXTFAEHAQND-UHFFFAOYSA-N 1 2 409.273 4.163 20 5 HIBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC[C@@H](c4nnc(C5CCCCC5)[nH]4)C3)nc2c1 ZINC000482697837 898298376 /nfs/dbraw/zinc/29/83/76/898298376.db2.gz LGVNBLQWLLIOJA-OAHLLOKOSA-N 1 2 409.494 4.017 20 5 HIBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCC[C@@H](c4nnc(C5CCCCC5)[nH]4)C3)nc2c1 ZINC000482697837 898298391 /nfs/dbraw/zinc/29/83/91/898298391.db2.gz LGVNBLQWLLIOJA-OAHLLOKOSA-N 1 2 409.494 4.017 20 5 HIBDLO C[C@H]([NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc(Br)cn1 ZINC000482952558 898580506 /nfs/dbraw/zinc/58/05/06/898580506.db2.gz CHLPGISFQSENHP-NSHDSACASA-N 1 2 403.236 4.258 20 5 HIBDLO C[C@@H]([NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc(Br)cn1 ZINC000482952556 898580995 /nfs/dbraw/zinc/58/09/95/898580995.db2.gz CHLPGISFQSENHP-LLVKDONJSA-N 1 2 403.236 4.258 20 5 HIBDLO COc1ccc(F)cc1[C@@H](C)[NH2+]Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000505607749 914312186 /nfs/dbraw/zinc/31/21/86/914312186.db2.gz MEPFFCXBFZJXOE-LLVKDONJSA-N 1 2 414.380 4.246 20 5 HIBDLO O=[N+]([O-])c1ccc(-c2noc(C[NH+]3CCC(c4c(F)cccc4F)CC3)n2)cc1 ZINC000485855576 901098692 /nfs/dbraw/zinc/09/86/92/901098692.db2.gz CADJYBDYRZVNRC-UHFFFAOYSA-N 1 2 400.385 4.303 20 5 HIBDLO C[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[NH+]1CCC(C(F)F)CC1 ZINC000486139491 901327479 /nfs/dbraw/zinc/32/74/79/901327479.db2.gz UDAHCECKCMYYLS-NSHDSACASA-N 1 2 410.446 4.022 20 5 HIBDLO O=C(c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000486460874 901620520 /nfs/dbraw/zinc/62/05/20/901620520.db2.gz NPCGWRSCVSHXPN-UHFFFAOYSA-N 1 2 420.494 4.103 20 5 HIBDLO O=C(Nc1nc2ccccc2n1CCCn1cc[nH+]c1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000487349682 902156835 /nfs/dbraw/zinc/15/68/35/902156835.db2.gz CPEZRMNUZPABSA-UHFFFAOYSA-N 1 2 424.848 4.137 20 5 HIBDLO COCC1CC[NH+]([C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CC1 ZINC000488651697 902919861 /nfs/dbraw/zinc/91/98/61/902919861.db2.gz AGWWUWDNLFPIGH-FQEVSTJZSA-N 1 2 417.893 4.286 20 5 HIBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000490057296 903747533 /nfs/dbraw/zinc/74/75/33/903747533.db2.gz QUOBXXCASDHHGE-HNNXBMFYSA-N 1 2 414.531 4.057 20 5 HIBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000490057296 903747542 /nfs/dbraw/zinc/74/75/42/903747542.db2.gz QUOBXXCASDHHGE-HNNXBMFYSA-N 1 2 414.531 4.057 20 5 HIBDLO COC[C@@H](c1ccc(Cl)cc1)[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000490062460 903751768 /nfs/dbraw/zinc/75/17/68/903751768.db2.gz ZWQSXBOYBYCBBH-KRWDZBQOSA-N 1 2 412.273 4.160 20 5 HIBDLO COC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000490062460 903751773 /nfs/dbraw/zinc/75/17/73/903751773.db2.gz ZWQSXBOYBYCBBH-KRWDZBQOSA-N 1 2 412.273 4.160 20 5 HIBDLO O=[N+]([O-])c1cccc([C@H]([NH2+]Cc2ccncc2OC[C@H]2CCOC2)c2ccccc2)c1 ZINC000490364976 903957972 /nfs/dbraw/zinc/95/79/72/903957972.db2.gz IXZKUVUBDFSKFL-MHECFPHRSA-N 1 2 419.481 4.284 20 5 HIBDLO CCN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccc(C(F)(F)F)cc1 ZINC000512505480 921204258 /nfs/dbraw/zinc/20/42/58/921204258.db2.gz XZMPHPYYRUUKOH-UHFFFAOYSA-N 1 2 404.348 4.466 20 5 HIBDLO CCCn1nccc1C1CC[NH+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000501502474 910613892 /nfs/dbraw/zinc/61/38/92/910613892.db2.gz JEDFVQLNEIKXJW-CQSZACIVSA-N 1 2 419.913 4.061 20 5 HIBDLO CN(C)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000506309276 914898991 /nfs/dbraw/zinc/89/89/91/914898991.db2.gz NCOWTLSHNSQFLY-INIZCTEOSA-N 1 2 403.866 4.093 20 5 HIBDLO CN(C)C(=O)[C@@H]1CCC[N@H+]1Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000506309276 914898992 /nfs/dbraw/zinc/89/89/92/914898992.db2.gz NCOWTLSHNSQFLY-INIZCTEOSA-N 1 2 403.866 4.093 20 5 HIBDLO C[C@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000509020502 917775246 /nfs/dbraw/zinc/77/52/46/917775246.db2.gz DUFIYPUDCDOXFP-ZDUSSCGKSA-N 1 2 412.396 4.371 20 5 HIBDLO O=C(NC[C@@H]1CCC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1)Nc1cccc(F)c1 ZINC000509389958 918056048 /nfs/dbraw/zinc/05/60/48/918056048.db2.gz VPPXBBSEYBDIND-ZDUSSCGKSA-N 1 2 422.407 4.046 20 5 HIBDLO O=C(NC[C@@H]1CCC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1)Nc1cccc(F)c1 ZINC000509389958 918056057 /nfs/dbraw/zinc/05/60/57/918056057.db2.gz VPPXBBSEYBDIND-ZDUSSCGKSA-N 1 2 422.407 4.046 20 5 HIBDLO CCOc1ccc(C2=CC[N@H+](Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)CC2)cc1 ZINC000509450768 918104203 /nfs/dbraw/zinc/10/42/03/918104203.db2.gz OZLHPSHUPUKEKJ-UHFFFAOYSA-N 1 2 406.442 4.333 20 5 HIBDLO CCOc1ccc(C2=CC[N@@H+](Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)CC2)cc1 ZINC000509450768 918104205 /nfs/dbraw/zinc/10/42/05/918104205.db2.gz OZLHPSHUPUKEKJ-UHFFFAOYSA-N 1 2 406.442 4.333 20 5 HIBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@H](C)CC[C@H]1c1ccccc1OC ZINC000510185086 918734909 /nfs/dbraw/zinc/73/49/09/918734909.db2.gz MBOUQGICOSLJBE-BEFAXECRSA-N 1 2 413.474 4.024 20 5 HIBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@H](C)CC[C@H]1c1ccccc1OC ZINC000510185086 918734923 /nfs/dbraw/zinc/73/49/23/918734923.db2.gz MBOUQGICOSLJBE-BEFAXECRSA-N 1 2 413.474 4.024 20 5 HIBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@@H](C)CC[C@@H]1c1ccccc1OC ZINC000510185091 918735497 /nfs/dbraw/zinc/73/54/97/918735497.db2.gz MBOUQGICOSLJBE-HNAYVOBHSA-N 1 2 413.474 4.024 20 5 HIBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@@H](C)CC[C@@H]1c1ccccc1OC ZINC000510185091 918735503 /nfs/dbraw/zinc/73/55/03/918735503.db2.gz MBOUQGICOSLJBE-HNAYVOBHSA-N 1 2 413.474 4.024 20 5 HIBDLO Cc1ccc(NC(=O)Cc2nc(C[N@H+](C)CCc3ccccc3[N+](=O)[O-])cs2)cc1 ZINC000511103613 919709538 /nfs/dbraw/zinc/70/95/38/919709538.db2.gz CRBGBCYTOBKOGB-UHFFFAOYSA-N 1 2 424.526 4.215 20 5 HIBDLO Cc1ccc(NC(=O)Cc2nc(C[N@@H+](C)CCc3ccccc3[N+](=O)[O-])cs2)cc1 ZINC000511103613 919709556 /nfs/dbraw/zinc/70/95/56/919709556.db2.gz CRBGBCYTOBKOGB-UHFFFAOYSA-N 1 2 424.526 4.215 20 5 HIBDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000511175773 919797914 /nfs/dbraw/zinc/79/79/14/919797914.db2.gz ZLQZIKLAXCPZTM-MRXNPFEDSA-N 1 2 420.494 4.150 20 5 HIBDLO Cn1ccnc1[C@H]([NH2+]CCOc1ccccc1C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000513672523 921995882 /nfs/dbraw/zinc/99/58/82/921995882.db2.gz LETGCTJAMSVTRZ-GOSISDBHSA-N 1 2 420.391 4.105 20 5 HIBDLO Cn1ccnc1[C@@H]([NH2+]CCOc1ccccc1C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000513702769 922022051 /nfs/dbraw/zinc/02/20/51/922022051.db2.gz MTSDMMNUFORDJQ-NRFANRHFSA-N 1 2 408.502 4.384 20 5 HIBDLO O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CC[NH2+][C@H](c2cccc(Cl)c2)C1 ZINC000513997439 922321664 /nfs/dbraw/zinc/32/16/64/922321664.db2.gz RWYUFSQASOKWRA-QFIPXVFZSA-N 1 2 417.896 4.121 20 5 HIBDLO O=[N+]([O-])c1ccccc1-c1ccc(CN2CC[NH+](CCc3ccccn3)CC2)s1 ZINC000524547833 929678153 /nfs/dbraw/zinc/67/81/53/929678153.db2.gz PDSNOCLTFYRXNI-UHFFFAOYSA-N 1 2 408.527 4.079 20 5 HIBDLO CCOc1ccc([C@H](C)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)cc1[N+](=O)[O-] ZINC000530524765 930737782 /nfs/dbraw/zinc/73/77/82/930737782.db2.gz PUXLEHVINKFSAX-XHSDSOJGSA-N 1 2 400.479 4.175 20 5 HIBDLO O=C(C[N@@H+]1CCCC[C@@H]1c1cc2ccccc2[nH]1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000533061972 931758569 /nfs/dbraw/zinc/75/85/69/931758569.db2.gz MAKUVANIHZZKOC-JOCHJYFZSA-N 1 2 404.470 4.192 20 5 HIBDLO O=C(C[N@H+]1CCCC[C@@H]1c1cc2ccccc2[nH]1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000533061972 931758578 /nfs/dbraw/zinc/75/85/78/931758578.db2.gz MAKUVANIHZZKOC-JOCHJYFZSA-N 1 2 404.470 4.192 20 5 HIBDLO C[C@H](c1ccc(OC(F)(F)F)cc1)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000533395632 931857207 /nfs/dbraw/zinc/85/72/07/931857207.db2.gz NIZPRCXUZAQWCW-CQSZACIVSA-N 1 2 423.391 4.012 20 5 HIBDLO C[C@@H](c1ccc(OC(F)(F)F)cc1)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000533395631 931857290 /nfs/dbraw/zinc/85/72/90/931857290.db2.gz NIZPRCXUZAQWCW-AWEZNQCLSA-N 1 2 423.391 4.012 20 5 HIBDLO Cc1ccc(Sc2ccc(C(=O)N3CC[C@H](c4[nH+]ccn4C)C3)cc2[N+](=O)[O-])cc1 ZINC000535144375 932962064 /nfs/dbraw/zinc/96/20/64/932962064.db2.gz XWFHXEWAIFQPPG-KRWDZBQOSA-N 1 2 422.510 4.418 20 5 HIBDLO O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000536044110 933588979 /nfs/dbraw/zinc/58/89/79/933588979.db2.gz RQDHUYZYCIPRSX-UHFFFAOYSA-N 1 2 417.469 4.341 20 5 HIBDLO CCn1c(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)nc2cc(Cl)ccc21 ZINC000537804859 938380374 /nfs/dbraw/zinc/38/03/74/938380374.db2.gz YHNGCANNMQXCQP-UHFFFAOYSA-N 1 2 410.821 4.056 20 5 HIBDLO COc1ccc(-c2ccc(C[N@@H+]3CCO[C@@H](c4cccc(O)c4)C3)o2)c([N+](=O)[O-])c1 ZINC000539837104 938953428 /nfs/dbraw/zinc/95/34/28/938953428.db2.gz AIWYXEDTFUGDIS-JOCHJYFZSA-N 1 2 410.426 4.143 20 5 HIBDLO COc1ccc(-c2ccc(C[N@H+]3CCO[C@@H](c4cccc(O)c4)C3)o2)c([N+](=O)[O-])c1 ZINC000539837104 938953431 /nfs/dbraw/zinc/95/34/31/938953431.db2.gz AIWYXEDTFUGDIS-JOCHJYFZSA-N 1 2 410.426 4.143 20 5 HIBDLO C[C@@H](c1cccc(C(F)(F)F)c1)[N@H+](C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000541272940 939488770 /nfs/dbraw/zinc/48/87/70/939488770.db2.gz XWABHWPCJMOUJU-ZDUSSCGKSA-N 1 2 416.421 4.080 20 5 HIBDLO C[C@@H](c1cccc(C(F)(F)F)c1)[N@@H+](C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000541272940 939488771 /nfs/dbraw/zinc/48/87/71/939488771.db2.gz XWABHWPCJMOUJU-ZDUSSCGKSA-N 1 2 416.421 4.080 20 5 HIBDLO COc1cccc([C@H]2C[C@@H](C)C[N@@H+]2CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000542255258 939774120 /nfs/dbraw/zinc/77/41/20/939774120.db2.gz QSKYZLWSLABHOA-BFUOFWGJSA-N 1 2 403.866 4.278 20 5 HIBDLO COc1cccc([C@H]2C[C@@H](C)C[N@H+]2CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000542255258 939774126 /nfs/dbraw/zinc/77/41/26/939774126.db2.gz QSKYZLWSLABHOA-BFUOFWGJSA-N 1 2 403.866 4.278 20 5 HIBDLO C[C@H](C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)c1ccc([N+](=O)[O-])cc1F ZINC000542526466 939837459 /nfs/dbraw/zinc/83/74/59/939837459.db2.gz AXPXOTDSBUVUHL-AWEZNQCLSA-N 1 2 406.417 4.391 20 5 HIBDLO C[C@H]1CO[C@@H](c2noc(/C=C/c3cccc([N+](=O)[O-])c3)n2)C[N@@H+]1Cc1ccccc1 ZINC000563757697 945286793 /nfs/dbraw/zinc/28/67/93/945286793.db2.gz NFXHZJJIHPTIQF-FQEHLOLLSA-N 1 2 406.442 4.110 20 5 HIBDLO C[C@H]1CO[C@@H](c2noc(/C=C/c3cccc([N+](=O)[O-])c3)n2)C[N@H+]1Cc1ccccc1 ZINC000563757697 945286805 /nfs/dbraw/zinc/28/68/05/945286805.db2.gz NFXHZJJIHPTIQF-FQEHLOLLSA-N 1 2 406.442 4.110 20 5 HIBDLO C[N@@H+]1CCO[C@H]([C@H](NCc2ccc([N+](=O)[O-])cc2Cl)c2ccc(Cl)cc2)C1 ZINC000543414205 940057779 /nfs/dbraw/zinc/05/77/79/940057779.db2.gz PRXRCLNOOHRYRL-RBUKOAKNSA-N 1 2 410.301 4.063 20 5 HIBDLO C[N@H+]1CCO[C@H]([C@H](NCc2ccc([N+](=O)[O-])cc2Cl)c2ccc(Cl)cc2)C1 ZINC000543414205 940057780 /nfs/dbraw/zinc/05/77/80/940057780.db2.gz PRXRCLNOOHRYRL-RBUKOAKNSA-N 1 2 410.301 4.063 20 5 HIBDLO CN1CCO[C@H]([C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)c2ccc(Cl)cc2)C1 ZINC000543414205 940057781 /nfs/dbraw/zinc/05/77/81/940057781.db2.gz PRXRCLNOOHRYRL-RBUKOAKNSA-N 1 2 410.301 4.063 20 5 HIBDLO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc(Br)cc2)no1 ZINC000543546811 940102955 /nfs/dbraw/zinc/10/29/55/940102955.db2.gz NJOJDYBDJUGSLF-LLVKDONJSA-N 1 2 403.236 4.258 20 5 HIBDLO Cc1cc(C)c([N+](=O)[O-])c(Sc2nnc([C@@H](C)[NH+](C)C)n2-c2ccc(F)cc2)n1 ZINC000543790622 940187797 /nfs/dbraw/zinc/18/77/97/940187797.db2.gz VEKRJHIZQNTJCK-CYBMUJFWSA-N 1 2 416.482 4.100 20 5 HIBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](C)c1nc(C2CCCCC2)no1 ZINC000544520177 940470334 /nfs/dbraw/zinc/47/03/34/940470334.db2.gz QQPQCZYBLKHEHG-CQSZACIVSA-N 1 2 401.467 4.013 20 5 HIBDLO C[C@H]1CO[C@@H](c2noc(/C=C\c3ccc(F)cc3[N+](=O)[O-])n2)C[N@@H+]1Cc1ccccc1 ZINC000545812470 940608484 /nfs/dbraw/zinc/60/84/84/940608484.db2.gz HOJAGROJOBQNEF-PLFLADSESA-N 1 2 424.432 4.249 20 5 HIBDLO C[C@H]1CO[C@@H](c2noc(/C=C\c3ccc(F)cc3[N+](=O)[O-])n2)C[N@H+]1Cc1ccccc1 ZINC000545812470 940608488 /nfs/dbraw/zinc/60/84/88/940608488.db2.gz HOJAGROJOBQNEF-PLFLADSESA-N 1 2 424.432 4.249 20 5 HIBDLO CC1(CO)CC[NH+]([C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CC1 ZINC000547291572 941054071 /nfs/dbraw/zinc/05/40/71/941054071.db2.gz RXKKSXYWODIPMO-LJQANCHMSA-N 1 2 417.893 4.022 20 5 HIBDLO Cc1cc(N2CCC[N@H+](Cc3cscn3)CC2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000549121849 941162365 /nfs/dbraw/zinc/16/23/65/941162365.db2.gz HEDUWGXRTUXSBS-UHFFFAOYSA-N 1 2 400.426 4.091 20 5 HIBDLO Cc1cc(N2CCC[N@@H+](Cc3cscn3)CC2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000549121849 941162367 /nfs/dbraw/zinc/16/23/67/941162367.db2.gz HEDUWGXRTUXSBS-UHFFFAOYSA-N 1 2 400.426 4.091 20 5 HIBDLO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](c1ccccc1)[N@@H+]1CCC[C@@H](CO)CC1 ZINC000550489210 941332458 /nfs/dbraw/zinc/33/24/58/941332458.db2.gz DRWJFUNZZFWLIH-QRWLVFNGSA-N 1 2 417.893 4.022 20 5 HIBDLO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](c1ccccc1)[N@H+]1CCC[C@@H](CO)CC1 ZINC000550489210 941332459 /nfs/dbraw/zinc/33/24/59/941332459.db2.gz DRWJFUNZZFWLIH-QRWLVFNGSA-N 1 2 417.893 4.022 20 5 HIBDLO Cn1ccnc1[C@H]([NH2+]C[C@@H](c1ccccc1)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000552066346 941578609 /nfs/dbraw/zinc/57/86/09/941578609.db2.gz GHXWDUBVPDUJOZ-ZWKOTPCHSA-N 1 2 404.392 4.353 20 5 HIBDLO Cn1ccnc1[C@@H]([NH2+]CCn1ccc2cc(Cl)ccc21)c1cccc([N+](=O)[O-])c1 ZINC000552090665 941583198 /nfs/dbraw/zinc/58/31/98/941583198.db2.gz QHPGZRRJFXKASC-FQEVSTJZSA-N 1 2 409.877 4.316 20 5 HIBDLO O=C(CCNc1ccccc1[N+](=O)[O-])Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000552213158 941604952 /nfs/dbraw/zinc/60/49/52/941604952.db2.gz GQCPOBALOMQPRP-UHFFFAOYSA-N 1 2 405.458 4.235 20 5 HIBDLO C[C@@H](C[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)Oc1cccc(Cl)c1 ZINC000552276010 941620455 /nfs/dbraw/zinc/62/04/55/941620455.db2.gz HWUFEFDSUGDSTI-LIRRHRJNSA-N 1 2 400.866 4.128 20 5 HIBDLO Cn1ccnc1[C@@H]([NH2+]C[C@H](c1ccccc1)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000556891236 942954288 /nfs/dbraw/zinc/95/42/88/942954288.db2.gz COWNQBBRSYRKMT-MSOLQXFVSA-N 1 2 404.392 4.353 20 5 HIBDLO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000558060359 943370030 /nfs/dbraw/zinc/37/00/30/943370030.db2.gz GOODJDKMFBEYAP-UHFFFAOYSA-N 1 2 412.396 4.254 20 5 HIBDLO C[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000558467496 943567471 /nfs/dbraw/zinc/56/74/71/943567471.db2.gz XRTYAKHFMNRJAQ-RYUDHWBXSA-N 1 2 410.446 4.022 20 5 HIBDLO C[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000558467496 943567476 /nfs/dbraw/zinc/56/74/76/943567476.db2.gz XRTYAKHFMNRJAQ-RYUDHWBXSA-N 1 2 410.446 4.022 20 5 HIBDLO Cn1cc([C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)c2ccc(F)cc2)cn1 ZINC000559156081 943854722 /nfs/dbraw/zinc/85/47/22/943854722.db2.gz ZVSFMEPFYRWTNA-GOSISDBHSA-N 1 2 408.355 4.365 20 5 HIBDLO COc1ccc([C@@H](C)[NH2+][C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c(C)c1OC ZINC000561930439 944862645 /nfs/dbraw/zinc/86/26/45/944862645.db2.gz TWLYEYUXBWVUDZ-ZIAGYGMSSA-N 1 2 412.446 4.382 20 5 HIBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)c1 ZINC000564102928 945378534 /nfs/dbraw/zinc/37/85/34/945378534.db2.gz BXRAFDPEZXWYSS-UHFFFAOYSA-N 1 2 404.426 4.161 20 5 HIBDLO COc1cc(C[N@@H+]2CCC[C@H]2c2cccnc2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000564312680 945511537 /nfs/dbraw/zinc/51/15/37/945511537.db2.gz IKWJAMIQSFDUOF-HNNXBMFYSA-N 1 2 411.380 4.277 20 5 HIBDLO COc1cc(C[N@H+]2CCC[C@H]2c2cccnc2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000564312680 945511555 /nfs/dbraw/zinc/51/15/55/945511555.db2.gz IKWJAMIQSFDUOF-HNNXBMFYSA-N 1 2 411.380 4.277 20 5 HIBDLO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)c1nc(C(F)(F)F)cs1 ZINC000573139961 948086032 /nfs/dbraw/zinc/08/60/32/948086032.db2.gz UCRIHJPQOJHZDF-QWRGUYRKSA-N 1 2 416.425 4.446 20 5 HIBDLO O=C(c1ccc([N+](=O)[O-])cc1Cl)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000436014746 861306274 /nfs/dbraw/zinc/30/62/74/861306274.db2.gz GIGJQGXOARUKNO-UHFFFAOYSA-N 1 2 419.268 4.441 20 5 HIBDLO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000436028871 861321859 /nfs/dbraw/zinc/32/18/59/861321859.db2.gz QALAFTNJWKXQIP-UHFFFAOYSA-N 1 2 419.268 4.441 20 5 HIBDLO CCOc1ccc(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)cc1[N+](=O)[O-] ZINC000436174460 861476889 /nfs/dbraw/zinc/47/68/89/861476889.db2.gz VHIOMWZUEBTKEI-UHFFFAOYSA-N 1 2 406.442 4.446 20 5 HIBDLO COc1ccc(-c2csc(NC(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)n2)cc1 ZINC000014375845 845942814 /nfs/dbraw/zinc/94/28/14/845942814.db2.gz CGOAUZXBUWTGQO-UHFFFAOYSA-N 1 2 421.438 4.165 20 5 HIBDLO CSc1ccc(C(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)cc1[N+](=O)[O-] ZINC000014526134 845956532 /nfs/dbraw/zinc/95/65/32/845956532.db2.gz WWNNLCFWSGZCFK-UHFFFAOYSA-N 1 2 406.533 4.257 20 5 HIBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000022291659 846554506 /nfs/dbraw/zinc/55/45/06/846554506.db2.gz FXRUMYWMXIOOGF-AWEZNQCLSA-N 1 2 420.560 4.403 20 5 HIBDLO O=C(C[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000024662766 846850547 /nfs/dbraw/zinc/85/05/47/846850547.db2.gz MVFCJFOUHDHKHH-ZDUSSCGKSA-N 1 2 414.849 4.208 20 5 HIBDLO O=C(C[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000024662766 846850552 /nfs/dbraw/zinc/85/05/52/846850552.db2.gz MVFCJFOUHDHKHH-ZDUSSCGKSA-N 1 2 414.849 4.208 20 5 HIBDLO COc1ccc2cc(C[N@H+](C)Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)ccc2c1 ZINC000047406673 849041316 /nfs/dbraw/zinc/04/13/16/849041316.db2.gz XZBPMDARVKEBKG-UHFFFAOYSA-N 1 2 404.426 4.439 20 5 HIBDLO COc1ccc2cc(C[N@@H+](C)Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)ccc2c1 ZINC000047406673 849041325 /nfs/dbraw/zinc/04/13/25/849041325.db2.gz XZBPMDARVKEBKG-UHFFFAOYSA-N 1 2 404.426 4.439 20 5 HIBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccc(F)cc3Cl)CC2)c2ccncc21 ZINC000054636406 849898348 /nfs/dbraw/zinc/89/83/48/849898348.db2.gz BYQAIESPGJTWOT-UHFFFAOYSA-N 1 2 400.841 4.258 20 5 HIBDLO Cc1cc(NCc2ccc(-n3cc[nH+]c3)c(F)c2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000060861608 851233962 /nfs/dbraw/zinc/23/39/62/851233962.db2.gz DDGGVXSHRSTFEJ-UHFFFAOYSA-N 1 2 404.405 4.297 20 5 HIBDLO Cc1ccc(C)c(OC2CC[NH+](Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)CC2)c1 ZINC000064486392 851912129 /nfs/dbraw/zinc/91/21/29/851912129.db2.gz SPPVFHXPJFELSE-UHFFFAOYSA-N 1 2 408.458 4.305 20 5 HIBDLO O=C(NCCCn1cc[nH+]c1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000097677021 852646379 /nfs/dbraw/zinc/64/63/79/852646379.db2.gz JAKLHSMZEJQTKY-UHFFFAOYSA-N 1 2 400.822 4.057 20 5 HIBDLO Cc1cc(NCc2cccc(Cn3cc[nH+]c3)c2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000140930763 853457071 /nfs/dbraw/zinc/45/70/71/853457071.db2.gz NGUCXUFINGFCAQ-UHFFFAOYSA-N 1 2 400.442 4.217 20 5 HIBDLO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]Cc3nnc4n3CCCCC4)o2)c(Cl)c1 ZINC000237820165 854103218 /nfs/dbraw/zinc/10/32/18/854103218.db2.gz OECWTYXVWUBAFM-UHFFFAOYSA-N 1 2 401.854 4.116 20 5 HIBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3nc4ccccc4s3)CC2)c2ncccc12 ZINC000301089223 854292947 /nfs/dbraw/zinc/29/29/47/854292947.db2.gz RYYYCLDVZMYCIW-UHFFFAOYSA-N 1 2 405.483 4.075 20 5 HIBDLO Cc1nn(C)c(NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)c1[N+](=O)[O-] ZINC000301201279 854326682 /nfs/dbraw/zinc/32/66/82/854326682.db2.gz PMQVXINIWOLKST-UHFFFAOYSA-N 1 2 402.458 4.161 20 5 HIBDLO Cc1cc(Sc2nnc(C[NH+]3CCCCC3)n2-c2ccccc2)ncc1[N+](=O)[O-] ZINC000301414727 854388596 /nfs/dbraw/zinc/38/85/96/854388596.db2.gz BGLZZFGMONQBRG-UHFFFAOYSA-N 1 2 410.503 4.016 20 5 HIBDLO CC(=O)c1ccc(Sc2nnc(C[NH+]3CCCC3)n2-c2ccccc2)c([N+](=O)[O-])c1 ZINC000302918333 854679053 /nfs/dbraw/zinc/67/90/53/854679053.db2.gz BTBNMIWKVHBRFV-UHFFFAOYSA-N 1 2 423.498 4.125 20 5 HIBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410264819 855889466 /nfs/dbraw/zinc/88/94/66/855889466.db2.gz KVVASWJGJGZDGI-OAHLLOKOSA-N 1 2 414.531 4.259 20 5 HIBDLO COCC[N@H+](Cc1cc(Br)cs1)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430231611 858090935 /nfs/dbraw/zinc/09/09/35/858090935.db2.gz CMVZMZNOJATJPN-UHFFFAOYSA-N 1 2 415.309 4.076 20 5 HIBDLO COCC[N@@H+](Cc1cc(Br)cs1)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430231611 858090941 /nfs/dbraw/zinc/09/09/41/858090941.db2.gz CMVZMZNOJATJPN-UHFFFAOYSA-N 1 2 415.309 4.076 20 5 HIBDLO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000435026561 860604852 /nfs/dbraw/zinc/60/48/52/860604852.db2.gz MQUGVZOODOBQOL-AWEZNQCLSA-N 1 2 400.866 4.268 20 5 HIBDLO O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000435325983 860737622 /nfs/dbraw/zinc/73/76/22/860737622.db2.gz HCHWSASIGWVYGY-UHFFFAOYSA-N 1 2 423.860 4.269 20 5 HIBDLO C[C@@H](c1cccc(NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)c1)[NH+]1CCOCC1 ZINC000437763028 863082429 /nfs/dbraw/zinc/08/24/29/863082429.db2.gz KCPNTDWTLLQAHT-KRWDZBQOSA-N 1 2 424.501 4.185 20 5 HIBDLO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2CCc3ncsc3C2)cc1 ZINC000438376419 863835229 /nfs/dbraw/zinc/83/52/29/863835229.db2.gz SJMLCHYBLPFFDG-UHFFFAOYSA-N 1 2 417.494 4.462 20 5 HIBDLO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CCc3ncsc3C2)cc1 ZINC000438376419 863835234 /nfs/dbraw/zinc/83/52/34/863835234.db2.gz SJMLCHYBLPFFDG-UHFFFAOYSA-N 1 2 417.494 4.462 20 5 HIBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1CCC(F)(c2cccc(Cl)c2)CC1 ZINC000439330001 864767566 /nfs/dbraw/zinc/76/75/66/864767566.db2.gz OLGOTSKPCMVZJF-UHFFFAOYSA-N 1 2 405.857 4.456 20 5 HIBDLO CC[C@](C)([NH2+]CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1nccs1 ZINC000440709298 865871199 /nfs/dbraw/zinc/87/11/99/865871199.db2.gz BYBZEMXQVSRZMH-SFHVURJKSA-N 1 2 417.516 4.028 20 5 HIBDLO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(Cc2ccc(Br)s2)CC1 ZINC000441179197 866256244 /nfs/dbraw/zinc/25/62/44/866256244.db2.gz UUJASAVUBGTTDJ-CYBMUJFWSA-N 1 2 410.337 4.298 20 5 HIBDLO CSc1ccc(C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC000441490752 866574833 /nfs/dbraw/zinc/57/48/33/866574833.db2.gz RHWWWTUOQXRQPF-SFHVURJKSA-N 1 2 410.499 4.301 20 5 HIBDLO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@H](Oc3ccccc3Cl)C2)cccc1[N+](=O)[O-] ZINC000443657736 868258112 /nfs/dbraw/zinc/25/81/12/868258112.db2.gz UPEGVGKHFPQLOV-GJZGRUSLSA-N 1 2 403.866 4.037 20 5 HIBDLO Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@H](Oc3ccccc3Cl)C2)cccc1[N+](=O)[O-] ZINC000443657736 868258145 /nfs/dbraw/zinc/25/81/45/868258145.db2.gz UPEGVGKHFPQLOV-GJZGRUSLSA-N 1 2 403.866 4.037 20 5 HIBDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000443897965 868434971 /nfs/dbraw/zinc/43/49/71/868434971.db2.gz IGARFLXLNDTLAP-UHFFFAOYSA-N 1 2 423.391 4.007 20 5 HIBDLO COc1ccc([C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)c2ccc(F)cc2)cc1 ZINC000444664480 868943756 /nfs/dbraw/zinc/94/37/56/868943756.db2.gz NXGSLGUVIIWKBU-QFIPXVFZSA-N 1 2 406.417 4.498 20 5 HIBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000444899693 869086834 /nfs/dbraw/zinc/08/68/34/869086834.db2.gz HXPBLZYYNPKNEQ-UHFFFAOYSA-N 1 2 405.414 4.163 20 5 HIBDLO O=C(CCc1cccc([N+](=O)[O-])c1)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000445832028 869850796 /nfs/dbraw/zinc/85/07/96/869850796.db2.gz DWINVNXZEIRZLT-LJQANCHMSA-N 1 2 419.884 4.273 20 5 HIBDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000464980049 878325582 /nfs/dbraw/zinc/32/55/82/878325582.db2.gz JQCFCQQUDZRZHA-UHFFFAOYSA-N 1 2 402.882 4.022 20 5 HIBDLO C[C@@H]1CCN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000469155151 883252036 /nfs/dbraw/zinc/25/20/36/883252036.db2.gz NAOLWVXCNQYMMW-SJKOYZFVSA-N 1 2 416.279 4.190 20 5 HIBDLO C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000469384575 883524604 /nfs/dbraw/zinc/52/46/04/883524604.db2.gz VADRRFYYELYVLY-OXJNMPFZSA-N 1 2 406.442 4.307 20 5 HIBDLO CO[C@@]1(C)CCC[N@@H+]([C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C1 ZINC000470905816 885410887 /nfs/dbraw/zinc/41/08/87/885410887.db2.gz JQEKQTBHWPKMNV-FPOVZHCZSA-N 1 2 417.893 4.429 20 5 HIBDLO CO[C@@]1(C)CCC[N@H+]([C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C1 ZINC000470905816 885410904 /nfs/dbraw/zinc/41/09/04/885410904.db2.gz JQEKQTBHWPKMNV-FPOVZHCZSA-N 1 2 417.893 4.429 20 5 HIBDLO CCOc1ccc(NC(=O)C[NH2+][C@@H](c2ccc(C)cc2)c2ccccn2)c([N+](=O)[O-])c1 ZINC000471064689 885582303 /nfs/dbraw/zinc/58/23/03/885582303.db2.gz FVEINTZNMWKVFL-QHCPKHFHSA-N 1 2 420.469 4.015 20 5 HIBDLO C[C@]1(O)CCC[N@@H+]([C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CC1 ZINC000471074072 885594088 /nfs/dbraw/zinc/59/40/88/885594088.db2.gz ZVNFMCFNHBDCTJ-CTNGQTDRSA-N 1 2 417.893 4.165 20 5 HIBDLO C[C@]1(O)CCC[N@H+]([C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CC1 ZINC000471074072 885594103 /nfs/dbraw/zinc/59/41/03/885594103.db2.gz ZVNFMCFNHBDCTJ-CTNGQTDRSA-N 1 2 417.893 4.165 20 5 HIBDLO CCc1ccc(C(=O)Nc2nc3ccccc3n2CCCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000471882414 886662764 /nfs/dbraw/zinc/66/27/64/886662764.db2.gz WZMVGYAYZQGLOT-UHFFFAOYSA-N 1 2 418.457 4.046 20 5 HIBDLO COC(=O)COc1ccc(C[N@H+]2CC=C(c3ccccc3Cl)CC2)cc1[N+](=O)[O-] ZINC000475090076 889937919 /nfs/dbraw/zinc/93/79/19/889937919.db2.gz FEBQQGAUJIJVJB-UHFFFAOYSA-N 1 2 416.861 4.089 20 5 HIBDLO COC(=O)COc1ccc(C[N@@H+]2CC=C(c3ccccc3Cl)CC2)cc1[N+](=O)[O-] ZINC000475090076 889937923 /nfs/dbraw/zinc/93/79/23/889937923.db2.gz FEBQQGAUJIJVJB-UHFFFAOYSA-N 1 2 416.861 4.089 20 5 HIBDLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000477974652 893069394 /nfs/dbraw/zinc/06/93/94/893069394.db2.gz DFEWEAPVFUCTQN-UHFFFAOYSA-N 1 2 405.458 4.148 20 5 HIBDLO CCc1cc(Br)ccc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000478633429 893886910 /nfs/dbraw/zinc/88/69/10/893886910.db2.gz NEMHSOXHZSIQOV-UHFFFAOYSA-N 1 2 415.247 4.358 20 5 HIBDLO COc1cc(C[NH2+][C@@H](c2nc3ccccc3n2C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000481423970 896826547 /nfs/dbraw/zinc/82/65/47/896826547.db2.gz LJLKNYNHQOOITD-JOCHJYFZSA-N 1 2 402.454 4.369 20 5 HIBDLO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000482023110 897428464 /nfs/dbraw/zinc/42/84/64/897428464.db2.gz ATFHNTGVRCBWRY-UHFFFAOYSA-N 1 2 414.531 4.268 20 5 HIBDLO COc1cc(C[NH2+][C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)c([N+](=O)[O-])cc1F ZINC000483235744 898879812 /nfs/dbraw/zinc/87/98/12/898879812.db2.gz LZFCLXVNSOJFSY-AWEZNQCLSA-N 1 2 422.762 4.238 20 5 HIBDLO COc1cc(C[NH2+]Cc2c(Cl)cccc2OC)c([N+](=O)[O-])cc1OCC(F)F ZINC000483645972 899302747 /nfs/dbraw/zinc/30/27/47/899302747.db2.gz AQVQXSJIEVKHEY-UHFFFAOYSA-N 1 2 416.808 4.199 20 5 HIBDLO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000483701590 899358263 /nfs/dbraw/zinc/35/82/63/899358263.db2.gz RVDMSFJSLXDNPJ-UHFFFAOYSA-N 1 2 410.499 4.459 20 5 HIBDLO O=C(Nc1ccc(Cl)c(OC(F)F)c1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000505668808 914365801 /nfs/dbraw/zinc/36/58/01/914365801.db2.gz LAMSHEYDGWPZFT-UHFFFAOYSA-N 1 2 408.748 4.288 20 5 HIBDLO C[C@H]([NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1ccc(OC(F)(F)F)cc1 ZINC000484873109 900260556 /nfs/dbraw/zinc/26/05/56/900260556.db2.gz LQZWVZRXAKABOR-NSHDSACASA-N 1 2 408.336 4.394 20 5 HIBDLO CC[N@H+](CC(=O)Nc1c(Cl)cccc1Cl)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000485745278 901000136 /nfs/dbraw/zinc/00/01/36/901000136.db2.gz PLHICWDYGCDLAY-UHFFFAOYSA-N 1 2 412.273 4.371 20 5 HIBDLO CC[N@@H+](CC(=O)Nc1c(Cl)cccc1Cl)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000485745278 901000145 /nfs/dbraw/zinc/00/01/45/901000145.db2.gz PLHICWDYGCDLAY-UHFFFAOYSA-N 1 2 412.273 4.371 20 5 HIBDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000486021477 901229087 /nfs/dbraw/zinc/22/90/87/901229087.db2.gz YIHSQPYNDFFROO-HZPDHXFCSA-N 1 2 424.501 4.031 20 5 HIBDLO Cc1ccc(C)c(N2CC[NH+]([C@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)c1 ZINC000486256679 901440847 /nfs/dbraw/zinc/44/08/47/901440847.db2.gz XURAULSESZBTQG-QGZVFWFLSA-N 1 2 407.474 4.145 20 5 HIBDLO C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000490590423 904121476 /nfs/dbraw/zinc/12/14/76/904121476.db2.gz VTLIJMUYMDKWOT-VGSWGCGISA-N 1 2 419.485 4.127 20 5 HIBDLO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CCN(Cc4ccccn4)CC3)o2)c(Cl)c1 ZINC000506137066 914818793 /nfs/dbraw/zinc/81/87/93/914818793.db2.gz NBCLKCNBOJQPPH-UHFFFAOYSA-N 1 2 412.877 4.221 20 5 HIBDLO COc1cc(CNc2cccc(-n3cc[nH+]c3)c2)c([N+](=O)[O-])cc1OCC(F)F ZINC000491857549 904714103 /nfs/dbraw/zinc/71/41/03/904714103.db2.gz XMUVSTWBACBBDS-UHFFFAOYSA-N 1 2 404.373 4.045 20 5 HIBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000494014315 905352831 /nfs/dbraw/zinc/35/28/31/905352831.db2.gz CLMNGOVKPMRLML-TZIWHRDSSA-N 1 2 405.458 4.458 20 5 HIBDLO Cc1sc(C(=O)N[C@@H]2CC[N@@H+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000494149225 905488186 /nfs/dbraw/zinc/48/81/86/905488186.db2.gz MZMRLAMYPKKCFP-CRAIPNDOSA-N 1 2 409.458 4.197 20 5 HIBDLO Cc1sc(C(=O)N[C@@H]2CC[N@H+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000494149225 905488193 /nfs/dbraw/zinc/48/81/93/905488193.db2.gz MZMRLAMYPKKCFP-CRAIPNDOSA-N 1 2 409.458 4.197 20 5 HIBDLO C[C@H](c1nc(-c2cccs2)no1)N1CC[NH+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000497376645 906863720 /nfs/dbraw/zinc/86/37/20/906863720.db2.gz MOFDRLPWXLYGRW-HUUCEWRRSA-N 1 2 413.503 4.146 20 5 HIBDLO COc1cccc(C2CC[NH+](CC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])CC2)c1 ZINC000498678193 908109546 /nfs/dbraw/zinc/10/95/46/908109546.db2.gz YKCNQONCIYQLSN-UHFFFAOYSA-N 1 2 403.866 4.075 20 5 HIBDLO O=C(Nc1ncc(Cc2ccccc2F)s1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000500307232 909770525 /nfs/dbraw/zinc/77/05/25/909770525.db2.gz KOHLDODQWGDRJL-UHFFFAOYSA-N 1 2 423.429 4.219 20 5 HIBDLO CCN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccc(Br)cc1 ZINC000501082971 910283514 /nfs/dbraw/zinc/28/35/14/910283514.db2.gz BAQYIIYSXAPILC-UHFFFAOYSA-N 1 2 415.247 4.210 20 5 HIBDLO Cc1ccc([C@H](C)NC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1[N+](=O)[O-] ZINC000507583687 916337868 /nfs/dbraw/zinc/33/78/68/916337868.db2.gz JQSRWKWPQFKDAG-WMZOPIPTSA-N 1 2 411.506 4.086 20 5 HIBDLO CC[N@H+](CC(=O)Nc1ccccc1OC)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000507682767 916452945 /nfs/dbraw/zinc/45/29/45/916452945.db2.gz IOZCNJJOBDJQTB-UHFFFAOYSA-N 1 2 409.442 4.324 20 5 HIBDLO CC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000507682767 916452960 /nfs/dbraw/zinc/45/29/60/916452960.db2.gz IOZCNJJOBDJQTB-UHFFFAOYSA-N 1 2 409.442 4.324 20 5 HIBDLO Cc1ccc(NC(=O)NC[C@@H]2CCC[N@H+](Cc3c(F)cc([N+](=O)[O-])cc3F)C2)cc1 ZINC000509368943 918033573 /nfs/dbraw/zinc/03/35/73/918033573.db2.gz BTEBOXFDNXFAPX-HNNXBMFYSA-N 1 2 418.444 4.215 20 5 HIBDLO Cc1ccc(NC(=O)NC[C@@H]2CCC[N@@H+](Cc3c(F)cc([N+](=O)[O-])cc3F)C2)cc1 ZINC000509368943 918033594 /nfs/dbraw/zinc/03/35/94/918033594.db2.gz BTEBOXFDNXFAPX-HNNXBMFYSA-N 1 2 418.444 4.215 20 5 HIBDLO O=[N+]([O-])c1ccccc1-c1ccc(CN2CC[NH+](CCc3cccnc3)CC2)s1 ZINC000510248746 918784977 /nfs/dbraw/zinc/78/49/77/918784977.db2.gz HHWYVYOJLBPNEX-UHFFFAOYSA-N 1 2 408.527 4.079 20 5 HIBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000511227238 919833365 /nfs/dbraw/zinc/83/33/65/919833365.db2.gz ACCJDOUNLJKRHH-GOSISDBHSA-N 1 2 405.857 4.263 20 5 HIBDLO Cn1ccnc1[C@@H]([NH2+]CCOc1cccc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000513665212 921988625 /nfs/dbraw/zinc/98/86/25/921988625.db2.gz CYTZBKNSCNBLMZ-QFIPXVFZSA-N 1 2 402.454 4.240 20 5 HIBDLO O=C(NCCn1cc[nH+]c1)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 ZINC000515815077 923369664 /nfs/dbraw/zinc/36/96/64/923369664.db2.gz JQDFWRUGKKJXFY-UHFFFAOYSA-N 1 2 402.863 4.026 20 5 HIBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000518704262 927445540 /nfs/dbraw/zinc/44/55/40/927445540.db2.gz CCOSBDJDOGQJKE-UHFFFAOYSA-N 1 2 414.487 4.072 20 5 HIBDLO O=C(c1cccc([N+](=O)[O-])c1)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl ZINC000518948681 927649638 /nfs/dbraw/zinc/64/96/38/927649638.db2.gz XUSJMBFJXFMGBZ-UHFFFAOYSA-N 1 2 416.840 4.317 20 5 HIBDLO Cc1ccc([C@H](C)[NH2+]Cc2csc(CNC(=O)c3ccccc3)n2)cc1[N+](=O)[O-] ZINC000531979769 931273631 /nfs/dbraw/zinc/27/36/31/931273631.db2.gz RLLZGKSUOGXTNK-HNNXBMFYSA-N 1 2 410.499 4.141 20 5 HIBDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)c(C)c1 ZINC000532754754 931623413 /nfs/dbraw/zinc/62/34/13/931623413.db2.gz PWQWYIZAUKSOBX-OAQYLSRUSA-N 1 2 403.442 4.061 20 5 HIBDLO CCOc1ccc(NC(=O)C[N@H+](C)Cc2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1 ZINC000532929845 931700461 /nfs/dbraw/zinc/70/04/61/931700461.db2.gz HIXLNPKUZUXAOP-UHFFFAOYSA-N 1 2 411.380 4.083 20 5 HIBDLO CCOc1ccc(NC(=O)C[N@@H+](C)Cc2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1 ZINC000532929845 931700471 /nfs/dbraw/zinc/70/04/71/931700471.db2.gz HIXLNPKUZUXAOP-UHFFFAOYSA-N 1 2 411.380 4.083 20 5 HIBDLO O=C(C[NH+]1CCC(OCC2CCCCC2)CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000532969147 931719087 /nfs/dbraw/zinc/71/90/87/931719087.db2.gz LNEQIKVQGCOGGA-UHFFFAOYSA-N 1 2 409.914 4.248 20 5 HIBDLO CN(C)c1cccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000533428717 931865632 /nfs/dbraw/zinc/86/56/32/931865632.db2.gz ZMYKEMRAGFBBPL-IBGZPJMESA-N 1 2 402.882 4.090 20 5 HIBDLO CN(C)c1cccc([C@@H]2CCC[N@H+]2CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000533428717 931865635 /nfs/dbraw/zinc/86/56/35/931865635.db2.gz ZMYKEMRAGFBBPL-IBGZPJMESA-N 1 2 402.882 4.090 20 5 HIBDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)C1 ZINC000535907944 933484089 /nfs/dbraw/zinc/48/40/89/933484089.db2.gz VVHLUGCTQNCAKN-OAHLLOKOSA-N 1 2 408.483 4.109 20 5 HIBDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)C1 ZINC000535907936 933484226 /nfs/dbraw/zinc/48/42/26/933484226.db2.gz VVHLUGCTQNCAKN-HNNXBMFYSA-N 1 2 408.483 4.109 20 5 HIBDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)CCOc2cc(C)ccc2[N+](=O)[O-])c(C)c1 ZINC000537316593 933714391 /nfs/dbraw/zinc/71/43/91/933714391.db2.gz BSIAIGUYXRKBMR-FQEVSTJZSA-N 1 2 422.485 4.043 20 5 HIBDLO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CC[C@H](n3cc(Cl)cn3)C2)cc1OC ZINC000563295669 945171319 /nfs/dbraw/zinc/17/13/19/945171319.db2.gz CLNIXZPAIPBKFI-YOEHRIQHSA-N 1 2 422.913 4.325 20 5 HIBDLO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CC[C@H](n3cc(Cl)cn3)C2)cc1OC ZINC000563295669 945171330 /nfs/dbraw/zinc/17/13/30/945171330.db2.gz CLNIXZPAIPBKFI-YOEHRIQHSA-N 1 2 422.913 4.325 20 5 HIBDLO O=[N+]([O-])c1ccc(-c2ccc(CNc3ccc[nH+]c3N3CCC(O)CC3)s2)cc1 ZINC000538003493 938458469 /nfs/dbraw/zinc/45/84/69/938458469.db2.gz ZCXVVNCWLJMCHA-UHFFFAOYSA-N 1 2 410.499 4.292 20 5 HIBDLO CC[N@@H+]1CC[C@H](NC(=O)NCc2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538054330 938487159 /nfs/dbraw/zinc/48/71/59/938487159.db2.gz QTBIVAZRDKBPSX-HKUYNNGSSA-N 1 2 420.872 4.022 20 5 HIBDLO CC[N@H+]1CC[C@H](NC(=O)NCc2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538054330 938487163 /nfs/dbraw/zinc/48/71/63/938487163.db2.gz QTBIVAZRDKBPSX-HKUYNNGSSA-N 1 2 420.872 4.022 20 5 HIBDLO CC[C@H]([NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccccc1OC(F)F ZINC000538152143 938523721 /nfs/dbraw/zinc/52/37/21/938523721.db2.gz SOFKOTMATCQKJO-HNNXBMFYSA-N 1 2 404.373 4.487 20 5 HIBDLO C[C@@H]([NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1cccc(N2CCCC2=O)c1 ZINC000539309665 938838524 /nfs/dbraw/zinc/83/85/24/938838524.db2.gz VLURVPBVWCKMHU-OAHLLOKOSA-N 1 2 406.442 4.227 20 5 HIBDLO C[C@H]([NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1cccc(N2CCCC2=O)c1 ZINC000539309664 938838565 /nfs/dbraw/zinc/83/85/65/938838565.db2.gz VLURVPBVWCKMHU-HNNXBMFYSA-N 1 2 406.442 4.227 20 5 HIBDLO COc1cccc(F)c1[C@H](C)[NH2+]Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000539360766 938848438 /nfs/dbraw/zinc/84/84/38/938848438.db2.gz RMXTYJYQLRSZKL-JTQLQIEISA-N 1 2 400.353 4.203 20 5 HIBDLO COc1ccc(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cc1OCc1cccnc1 ZINC000539830857 938950693 /nfs/dbraw/zinc/95/06/93/938950693.db2.gz LTTSLIYEKKCPSL-UHFFFAOYSA-N 1 2 405.454 4.136 20 5 HIBDLO COc1ccc(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cc1OCc1cccnc1 ZINC000539830857 938950697 /nfs/dbraw/zinc/95/06/97/938950697.db2.gz LTTSLIYEKKCPSL-UHFFFAOYSA-N 1 2 405.454 4.136 20 5 HIBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000540166512 939098876 /nfs/dbraw/zinc/09/88/76/939098876.db2.gz FOSWFNAJNRSBDP-JTQLQIEISA-N 1 2 413.787 4.469 20 5 HIBDLO C[C@H](c1ccc(Cl)cc1)[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000541276603 939488962 /nfs/dbraw/zinc/48/89/62/939488962.db2.gz WTUHGVBTWVYHHM-CQSZACIVSA-N 1 2 408.907 4.248 20 5 HIBDLO C[C@H](c1ccc(Cl)cc1)[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000541276603 939488963 /nfs/dbraw/zinc/48/89/63/939488963.db2.gz WTUHGVBTWVYHHM-CQSZACIVSA-N 1 2 408.907 4.248 20 5 HIBDLO Cc1nc(NCc2cccc(C(=O)N(Cc3ccc([N+](=O)[O-])cc3)C3CC3)c2)cc[nH+]1 ZINC000542654973 939851909 /nfs/dbraw/zinc/85/19/09/939851909.db2.gz ZIAYUQQQJYSDGC-UHFFFAOYSA-N 1 2 417.469 4.110 20 5 HIBDLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000543643926 940147426 /nfs/dbraw/zinc/14/74/26/940147426.db2.gz ZQPKGYPBJVPDHD-ZDUSSCGKSA-N 1 2 406.845 4.298 20 5 HIBDLO CCc1ccc([C@H]([NH2+]Cc2cccc(NC(=O)COC)c2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000544366403 940403041 /nfs/dbraw/zinc/40/30/41/940403041.db2.gz RHOKNQUZHLEHLQ-HSZRJFAPSA-N 1 2 423.469 4.214 20 5 HIBDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)c(C)c1 ZINC000544417099 940417928 /nfs/dbraw/zinc/41/79/28/940417928.db2.gz OLYUONIAQIABCG-IIBYNOLFSA-N 1 2 410.449 4.208 20 5 HIBDLO CO[C@H](C[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000552248657 941613976 /nfs/dbraw/zinc/61/39/76/941613976.db2.gz OBRDFEAWCWUUFA-RTBURBONSA-N 1 2 400.866 4.048 20 5 HIBDLO Cn1ccnc1[C@@H]([NH2+][C@H]1C[C@@H](Oc2ccccc2)C1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000554120007 942041052 /nfs/dbraw/zinc/04/10/52/942041052.db2.gz IDGYNPOGLXWEAG-HBMCJLEFSA-N 1 2 406.486 4.253 20 5 HIBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCCN(c2cccc(Cl)c2C)CC1 ZINC000556535149 942893854 /nfs/dbraw/zinc/89/38/54/942893854.db2.gz YKGOEMLEGGGOKQ-UHFFFAOYSA-N 1 2 416.909 4.016 20 5 HIBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCCN(c2cccc(Cl)c2C)CC1 ZINC000556535149 942893857 /nfs/dbraw/zinc/89/38/57/942893857.db2.gz YKGOEMLEGGGOKQ-UHFFFAOYSA-N 1 2 416.909 4.016 20 5 HIBDLO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CCC[C@@H](c4noc(C5CC5)n4)C3)cs2)c1 ZINC000556939057 942974477 /nfs/dbraw/zinc/97/44/77/942974477.db2.gz AOCCJYFYZJBQTQ-OAHLLOKOSA-N 1 2 411.487 4.358 20 5 HIBDLO O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3CCC[C@@H](c4noc(C5CC5)n4)C3)cs2)c1 ZINC000556939057 942974486 /nfs/dbraw/zinc/97/44/86/942974486.db2.gz AOCCJYFYZJBQTQ-OAHLLOKOSA-N 1 2 411.487 4.358 20 5 HIBDLO CO[C@@H](C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000560528435 944242248 /nfs/dbraw/zinc/24/22/48/944242248.db2.gz FXNJZOSAIHZPFD-RBUKOAKNSA-N 1 2 400.866 4.048 20 5 HIBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000568333881 946514276 /nfs/dbraw/zinc/51/42/76/946514276.db2.gz OVDAXMZMDARODI-UHFFFAOYSA-N 1 2 411.506 4.323 20 5 HIBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH+]1CCC(c2cccc(F)c2F)CC1 ZINC000574675854 948502073 /nfs/dbraw/zinc/50/20/73/948502073.db2.gz HOGDFDOCORRURR-CYBMUJFWSA-N 1 2 419.428 4.088 20 5 HIBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000575851449 948741505 /nfs/dbraw/zinc/74/15/05/948741505.db2.gz VYFBWCIDHDZHPF-AEFFLSMTSA-N 1 2 406.845 4.263 20 5 HIBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000575851449 948741519 /nfs/dbraw/zinc/74/15/19/948741519.db2.gz VYFBWCIDHDZHPF-AEFFLSMTSA-N 1 2 406.845 4.263 20 5 HIBDLO Cc1sc(C(=O)N(CCn2cc[nH+]c2)Cc2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000436017097 861308958 /nfs/dbraw/zinc/30/89/58/861308958.db2.gz AAEFJCMQCYIJRS-UHFFFAOYSA-N 1 2 404.879 4.157 20 5 HIBDLO CC(=O)c1ccc(N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)c([N+](=O)[O-])c1 ZINC000015115731 846010972 /nfs/dbraw/zinc/01/09/72/846010972.db2.gz WFOFFAVHHNJFKM-UHFFFAOYSA-N 1 2 407.392 4.138 20 5 HIBDLO C[C@@H](c1nnc(Sc2ncccc2[N+](=O)[O-])n1-c1ccccc1)[NH+]1CCCCC1 ZINC000029004861 847491964 /nfs/dbraw/zinc/49/19/64/847491964.db2.gz RDORRCLPCQELFZ-HNNXBMFYSA-N 1 2 410.503 4.269 20 5 HIBDLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000436460222 861811849 /nfs/dbraw/zinc/81/18/49/861811849.db2.gz WYSXPSSUXSCTDH-UHFFFAOYSA-N 1 2 414.409 4.308 20 5 HIBDLO CN(C)c1ccc(C(F)(F)F)cc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032144410 847988532 /nfs/dbraw/zinc/98/85/32/847988532.db2.gz WNVAHTBLCCNDTO-UHFFFAOYSA-N 1 2 419.363 4.118 20 5 HIBDLO O=C(NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)c1csc([N+](=O)[O-])c1 ZINC000040393035 848197808 /nfs/dbraw/zinc/19/78/08/848197808.db2.gz BFXZVLKEWGJGLR-UHFFFAOYSA-N 1 2 414.314 4.358 20 5 HIBDLO CN(C)c1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c(C(F)(F)F)c1 ZINC000041843353 848256551 /nfs/dbraw/zinc/25/65/51/848256551.db2.gz YBTGQZNUIIWGDG-UHFFFAOYSA-N 1 2 419.363 4.118 20 5 HIBDLO C[C@H]1C[C@@H]1c1ccc(CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C2CC2)o1 ZINC000041895165 848262900 /nfs/dbraw/zinc/26/29/00/848262900.db2.gz YLVVRINJJSPADA-KSSFIOAISA-N 1 2 406.442 4.302 20 5 HIBDLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000050335256 849373627 /nfs/dbraw/zinc/37/36/27/849373627.db2.gz GLGCPINFXZBDCB-UHFFFAOYSA-N 1 2 409.402 4.295 20 5 HIBDLO O=[N+]([O-])c1sccc1NCc1cc[nH+]c(N2CCN(c3ccc(F)cc3)CC2)c1 ZINC000063263023 851644337 /nfs/dbraw/zinc/64/43/37/851644337.db2.gz MMQZFWAFSCHVIG-UHFFFAOYSA-N 1 2 413.478 4.129 20 5 HIBDLO CCOc1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c(C(F)(F)F)c1 ZINC000064849903 852004204 /nfs/dbraw/zinc/00/42/04/852004204.db2.gz ZAJCEOWWQIUUBJ-UHFFFAOYSA-N 1 2 420.347 4.450 20 5 HIBDLO C[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)Cc1ccc(OC(F)(F)F)cc1 ZINC000106042782 852749023 /nfs/dbraw/zinc/74/90/23/852749023.db2.gz RFIAMDPRYGQHFY-UHFFFAOYSA-N 1 2 408.336 4.175 20 5 HIBDLO C[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)Cc1ccc(OC(F)(F)F)cc1 ZINC000106042782 852749030 /nfs/dbraw/zinc/74/90/30/852749030.db2.gz RFIAMDPRYGQHFY-UHFFFAOYSA-N 1 2 408.336 4.175 20 5 HIBDLO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]Cc3ccc(OCC(F)(F)F)nc3)cs2)c1 ZINC000237685311 854075238 /nfs/dbraw/zinc/07/52/38/854075238.db2.gz WSHOXNFFHKFNPG-UHFFFAOYSA-N 1 2 424.404 4.344 20 5 HIBDLO O=[N+]([O-])c1ccc(NCc2cc[nH+]c(N3CCN(c4ccc(F)cc4)CC3)c2)cc1 ZINC000301080456 854290205 /nfs/dbraw/zinc/29/02/05/854290205.db2.gz HLKXCMOAMBMRTQ-UHFFFAOYSA-N 1 2 407.449 4.068 20 5 HIBDLO O=[N+]([O-])c1cnc(NC[C@H](c2ccc(Cl)cc2)[N@@H+]2CCc3sccc3C2)nc1 ZINC000302143263 854536656 /nfs/dbraw/zinc/53/66/56/854536656.db2.gz GCLYRMFBMVXOAH-QGZVFWFLSA-N 1 2 415.906 4.311 20 5 HIBDLO O=[N+]([O-])c1cnc(NC[C@H](c2ccc(Cl)cc2)[N@H+]2CCc3sccc3C2)nc1 ZINC000302143263 854536661 /nfs/dbraw/zinc/53/66/61/854536661.db2.gz GCLYRMFBMVXOAH-QGZVFWFLSA-N 1 2 415.906 4.311 20 5 HIBDLO Cc1c(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)cccc1[N+](=O)[O-] ZINC000303565983 855043983 /nfs/dbraw/zinc/04/39/83/855043983.db2.gz XYRKLSQCQFFYIQ-MRXNPFEDSA-N 1 2 405.857 4.090 20 5 HIBDLO Cc1c(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)cccc1[N+](=O)[O-] ZINC000303565983 855043994 /nfs/dbraw/zinc/04/39/94/855043994.db2.gz XYRKLSQCQFFYIQ-MRXNPFEDSA-N 1 2 405.857 4.090 20 5 HIBDLO Cc1c(C[NH2+]Cc2c(Br)cncc2Br)cccc1[N+](=O)[O-] ZINC000394649651 855471026 /nfs/dbraw/zinc/47/10/26/855471026.db2.gz UAZKKXCDBFNADR-UHFFFAOYSA-N 1 2 415.085 4.113 20 5 HIBDLO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410292941 855909789 /nfs/dbraw/zinc/90/97/89/855909789.db2.gz TZCUFMUIYZPXJV-CQSZACIVSA-N 1 2 402.882 4.109 20 5 HIBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCn2c(cc3cc(Cl)ccc32)C1 ZINC000427770068 856947274 /nfs/dbraw/zinc/94/72/74/856947274.db2.gz JVESMUVBOUXKNX-UHFFFAOYSA-N 1 2 421.844 4.045 20 5 HIBDLO COc1ccc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])c(Br)c1OC ZINC000429240646 857570491 /nfs/dbraw/zinc/57/04/91/857570491.db2.gz XOPJHFLQVTWFPP-UHFFFAOYSA-N 1 2 409.280 4.399 20 5 HIBDLO Cc1noc(C[C@@H]([NH2+]Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)c2ccccc2)n1 ZINC000429527689 857721051 /nfs/dbraw/zinc/72/10/51/857721051.db2.gz KKQDQIMPLCJOJY-LJQANCHMSA-N 1 2 405.414 4.015 20 5 HIBDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)C(C)(C)c3ccccc3[N+](=O)[O-])n2)C1 ZINC000432427517 859160183 /nfs/dbraw/zinc/16/01/83/859160183.db2.gz ZDGRTCBSYBCWPY-AWEZNQCLSA-N 1 2 402.520 4.200 20 5 HIBDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)C(C)(C)c3ccccc3[N+](=O)[O-])n2)C1 ZINC000432427517 859160185 /nfs/dbraw/zinc/16/01/85/859160185.db2.gz ZDGRTCBSYBCWPY-AWEZNQCLSA-N 1 2 402.520 4.200 20 5 HIBDLO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000439103850 864541879 /nfs/dbraw/zinc/54/18/79/864541879.db2.gz XMFSAPPHWOKIKU-AWEZNQCLSA-N 1 2 403.866 4.202 20 5 HIBDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000440807425 865926856 /nfs/dbraw/zinc/92/68/56/865926856.db2.gz HZXZJQXNBQCMNZ-DYESRHJHSA-N 1 2 407.474 4.210 20 5 HIBDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000441486679 866568508 /nfs/dbraw/zinc/56/85/08/866568508.db2.gz FFAXVDZTNFCRHF-UWJYYQICSA-N 1 2 424.526 4.446 20 5 HIBDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)c(C)c1 ZINC000442003601 867058561 /nfs/dbraw/zinc/05/85/61/867058561.db2.gz QMIQNHPDFULSJZ-LJQANCHMSA-N 1 2 403.442 4.061 20 5 HIBDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000442232737 867267642 /nfs/dbraw/zinc/26/76/42/867267642.db2.gz BCNODGDOJWZBAQ-NRFANRHFSA-N 1 2 421.501 4.384 20 5 HIBDLO CCc1ccc([C@@H]([NH2+]Cc2cccc(N3CCC3=O)c2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000442799874 867679464 /nfs/dbraw/zinc/67/94/64/867679464.db2.gz LGFCYFMGQIWSQV-QHCPKHFHSA-N 1 2 405.454 4.366 20 5 HIBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000443555187 868108957 /nfs/dbraw/zinc/10/89/57/868108957.db2.gz CMZZZUDDGFROLL-UHFFFAOYSA-N 1 2 419.934 4.148 20 5 HIBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000443555187 868108968 /nfs/dbraw/zinc/10/89/68/868108968.db2.gz CMZZZUDDGFROLL-UHFFFAOYSA-N 1 2 419.934 4.148 20 5 HIBDLO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000444664964 868944429 /nfs/dbraw/zinc/94/44/29/868944429.db2.gz SIZFCSVPHPMUSD-OAHLLOKOSA-N 1 2 402.520 4.240 20 5 HIBDLO O=C(CCc1cccc([N+](=O)[O-])c1)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000445832027 869850479 /nfs/dbraw/zinc/85/04/79/869850479.db2.gz DWINVNXZEIRZLT-IBGZPJMESA-N 1 2 419.884 4.273 20 5 HIBDLO COc1ccc(Cn2nc(C)c(C[N@@H+]3CCc4ccc([N+](=O)[O-])cc4C3)c2C)cc1 ZINC000468406566 882348912 /nfs/dbraw/zinc/34/89/12/882348912.db2.gz WRPLXTDWAOZAKW-UHFFFAOYSA-N 1 2 406.486 4.023 20 5 HIBDLO COc1ccc(Cn2nc(C)c(C[N@H+]3CCc4ccc([N+](=O)[O-])cc4C3)c2C)cc1 ZINC000468406566 882348930 /nfs/dbraw/zinc/34/89/30/882348930.db2.gz WRPLXTDWAOZAKW-UHFFFAOYSA-N 1 2 406.486 4.023 20 5 HIBDLO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccc(Cl)cc2I)c(F)c1 ZINC000446844956 870763928 /nfs/dbraw/zinc/76/39/28/870763928.db2.gz WVOQMVGAWKGTLH-UHFFFAOYSA-N 1 2 420.609 4.282 20 5 HIBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000462632866 875744905 /nfs/dbraw/zinc/74/49/05/875744905.db2.gz TXCPMDRPPNXBFI-OAQYLSRUSA-N 1 2 424.545 4.324 20 5 HIBDLO COc1cc(C[N@@H+]2Cc3ccc(O)cc3C3(CC3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000462826367 875863163 /nfs/dbraw/zinc/86/31/63/875863163.db2.gz DFAJUOHBSSDDSG-UHFFFAOYSA-N 1 2 420.412 4.000 20 5 HIBDLO COc1cc(C[N@H+]2Cc3ccc(O)cc3C3(CC3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000462826367 875863170 /nfs/dbraw/zinc/86/31/70/875863170.db2.gz DFAJUOHBSSDDSG-UHFFFAOYSA-N 1 2 420.412 4.000 20 5 HIBDLO COc1cc(N2CC[NH+]([C@H](C)c3ccc(Br)cc3)CC2)ccc1[N+](=O)[O-] ZINC000462907327 875932426 /nfs/dbraw/zinc/93/24/26/875932426.db2.gz FMXXZJPNPOZPDC-CQSZACIVSA-N 1 2 420.307 4.249 20 5 HIBDLO C[C@@H](C(=O)Nc1cccc(Cl)c1)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464776183 878019727 /nfs/dbraw/zinc/01/97/27/878019727.db2.gz KQNBMQFNMWHBSJ-AWEZNQCLSA-N 1 2 403.866 4.119 20 5 HIBDLO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](c1ccccc1)[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000464844789 878118100 /nfs/dbraw/zinc/11/81/00/878118100.db2.gz CDPJYIDCVFRXAL-FPOVZHCZSA-N 1 2 415.877 4.040 20 5 HIBDLO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](c1ccccc1)[N@H+]1CC[C@]2(CCOC2)C1 ZINC000464844789 878118108 /nfs/dbraw/zinc/11/81/08/878118108.db2.gz CDPJYIDCVFRXAL-FPOVZHCZSA-N 1 2 415.877 4.040 20 5 HIBDLO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](c1ccccc1)[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000464844791 878118455 /nfs/dbraw/zinc/11/84/55/878118455.db2.gz CDPJYIDCVFRXAL-TZIWHRDSSA-N 1 2 415.877 4.040 20 5 HIBDLO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](c1ccccc1)[N@H+]1CC[C@@]2(CCOC2)C1 ZINC000464844791 878118458 /nfs/dbraw/zinc/11/84/58/878118458.db2.gz CDPJYIDCVFRXAL-TZIWHRDSSA-N 1 2 415.877 4.040 20 5 HIBDLO COCc1ccc([C@@H]2CCC[N@@H+]2Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])o1 ZINC000467037657 880835244 /nfs/dbraw/zinc/83/52/44/880835244.db2.gz XSOACGWFHVVETF-AWEZNQCLSA-N 1 2 412.389 4.281 20 5 HIBDLO COCc1ccc([C@@H]2CCC[N@H+]2Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])o1 ZINC000467037657 880835251 /nfs/dbraw/zinc/83/52/51/880835251.db2.gz XSOACGWFHVVETF-AWEZNQCLSA-N 1 2 412.389 4.281 20 5 HIBDLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000469973689 884184698 /nfs/dbraw/zinc/18/46/98/884184698.db2.gz CRZVSRKIUROVBM-UHFFFAOYSA-N 1 2 413.503 4.030 20 5 HIBDLO CO[C@]1(C)CCC[N@@H+]([C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C1 ZINC000470905817 885411344 /nfs/dbraw/zinc/41/13/44/885411344.db2.gz JQEKQTBHWPKMNV-PZJWPPBQSA-N 1 2 417.893 4.429 20 5 HIBDLO CO[C@]1(C)CCC[N@H+]([C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C1 ZINC000470905817 885411351 /nfs/dbraw/zinc/41/13/51/885411351.db2.gz JQEKQTBHWPKMNV-PZJWPPBQSA-N 1 2 417.893 4.429 20 5 HIBDLO Cc1c(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](OCc3ccccc3F)C2)cccc1[N+](=O)[O-] ZINC000470922316 885427757 /nfs/dbraw/zinc/42/77/57/885427757.db2.gz WFRANYVNNYRIRN-WMZOPIPTSA-N 1 2 415.465 4.051 20 5 HIBDLO Cc1c(NC(=O)[C@H](C)[N@H+]2CCC[C@H](OCc3ccccc3F)C2)cccc1[N+](=O)[O-] ZINC000470922316 885427770 /nfs/dbraw/zinc/42/77/70/885427770.db2.gz WFRANYVNNYRIRN-WMZOPIPTSA-N 1 2 415.465 4.051 20 5 HIBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000475171577 890037066 /nfs/dbraw/zinc/03/70/66/890037066.db2.gz PPIUUCJELVKNER-GOSISDBHSA-N 1 2 417.425 4.289 20 5 HIBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCCC[C@H]1c1nc2ccccc2o1 ZINC000475171578 890038319 /nfs/dbraw/zinc/03/83/19/890038319.db2.gz PPIUUCJELVKNER-SFHVURJKSA-N 1 2 417.425 4.289 20 5 HIBDLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000475200934 890069357 /nfs/dbraw/zinc/06/93/57/890069357.db2.gz CHVNHCDDYRGYPM-UHFFFAOYSA-N 1 2 419.363 4.180 20 5 HIBDLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)c1C ZINC000475218864 890088017 /nfs/dbraw/zinc/08/80/17/890088017.db2.gz ZZZGUUBCVHDPPA-UHFFFAOYSA-N 1 2 412.368 4.298 20 5 HIBDLO CCOc1cc(N2CC[NH+](Cc3cnc(-c4ccco4)s3)CC2)ccc1[N+](=O)[O-] ZINC000475511191 890429309 /nfs/dbraw/zinc/42/93/09/890429309.db2.gz SKLBIAYTXYFCDV-UHFFFAOYSA-N 1 2 414.487 4.032 20 5 HIBDLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000478013590 893127189 /nfs/dbraw/zinc/12/71/89/893127189.db2.gz DURSKNCACWZDKC-UHFFFAOYSA-N 1 2 401.220 4.308 20 5 HIBDLO O=C(Nc1cccc(OCc2cscn2)c1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000505052478 913792179 /nfs/dbraw/zinc/79/21/79/913792179.db2.gz UCZAYFGRCABMRV-UHFFFAOYSA-N 1 2 421.438 4.068 20 5 HIBDLO C[N@H+](C[C@@H]1CCCO1)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000481601515 896981878 /nfs/dbraw/zinc/98/18/78/896981878.db2.gz TVQALDMVWUQQIH-QFBILLFUSA-N 1 2 403.866 4.039 20 5 HIBDLO C[N@@H+](C[C@@H]1CCCO1)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000481601515 896981883 /nfs/dbraw/zinc/98/18/83/896981883.db2.gz TVQALDMVWUQQIH-QFBILLFUSA-N 1 2 403.866 4.039 20 5 HIBDLO CC[C@@](C)([NH2+]Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-])c1nc(C)cs1 ZINC000505592467 914299353 /nfs/dbraw/zinc/29/93/53/914299353.db2.gz SMKHHXXJYLXOFA-GOSISDBHSA-N 1 2 415.462 4.427 20 5 HIBDLO CSc1cccc(C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)c1[N+](=O)[O-] ZINC000486415082 901573144 /nfs/dbraw/zinc/57/31/44/901573144.db2.gz GTCQNINJBHMDIQ-SFHVURJKSA-N 1 2 410.499 4.301 20 5 HIBDLO Cc1ccc([C@@H](C)NC(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)cc1[N+](=O)[O-] ZINC000487722305 902317128 /nfs/dbraw/zinc/31/71/28/902317128.db2.gz QUHNXSXJUFAEFW-UKRRQHHQSA-N 1 2 417.535 4.474 20 5 HIBDLO Cc1ccc([C@@H](C)NC(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)cc1[N+](=O)[O-] ZINC000487722305 902317139 /nfs/dbraw/zinc/31/71/39/902317139.db2.gz QUHNXSXJUFAEFW-UKRRQHHQSA-N 1 2 417.535 4.474 20 5 HIBDLO COCC1CC[NH+]([C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CC1 ZINC000488651699 902919283 /nfs/dbraw/zinc/91/92/83/902919283.db2.gz AGWWUWDNLFPIGH-HXUWFJFHSA-N 1 2 417.893 4.286 20 5 HIBDLO O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000489911319 903668911 /nfs/dbraw/zinc/66/89/11/903668911.db2.gz RMWKEMBSUFWXIC-UHFFFAOYSA-N 1 2 401.382 4.220 20 5 HIBDLO CCOc1ccc([C@@H]2CCCN2C(=O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000490824283 904269468 /nfs/dbraw/zinc/26/94/68/904269468.db2.gz UGGAEPWTSZNAIO-QHCPKHFHSA-N 1 2 423.513 4.322 20 5 HIBDLO CCOc1ccc([C@@H]2CCCN2C(=O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000490824283 904269482 /nfs/dbraw/zinc/26/94/82/904269482.db2.gz UGGAEPWTSZNAIO-QHCPKHFHSA-N 1 2 423.513 4.322 20 5 HIBDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000491053977 904397527 /nfs/dbraw/zinc/39/75/27/904397527.db2.gz AIDYMLHEINJNCL-UHFFFAOYSA-N 1 2 414.531 4.090 20 5 HIBDLO COCC[N@H+](Cc1cc(Br)cs1)Cc1cc([N+](=O)[O-])ccc1OC ZINC000494097993 905430284 /nfs/dbraw/zinc/43/02/84/905430284.db2.gz KDSMEMFNFCXWGO-UHFFFAOYSA-N 1 2 415.309 4.076 20 5 HIBDLO COCC[N@@H+](Cc1cc(Br)cs1)Cc1cc([N+](=O)[O-])ccc1OC ZINC000494097993 905430292 /nfs/dbraw/zinc/43/02/92/905430292.db2.gz KDSMEMFNFCXWGO-UHFFFAOYSA-N 1 2 415.309 4.076 20 5 HIBDLO NC(=O)c1coc(C[NH2+]Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)c1 ZINC000494453384 905735521 /nfs/dbraw/zinc/73/55/21/905735521.db2.gz KOHYNEQFGOCFCJ-UHFFFAOYSA-N 1 2 401.806 4.022 20 5 HIBDLO Cc1ccc([C@H](C)NC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000494457230 905739482 /nfs/dbraw/zinc/73/94/82/905739482.db2.gz ZAVOCSJIGGDJJA-SAWYMBPVSA-N 1 2 419.485 4.389 20 5 HIBDLO C[C@@H](c1nc(-c2cccs2)no1)N1CC[NH+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000497376644 906864320 /nfs/dbraw/zinc/86/43/20/906864320.db2.gz MOFDRLPWXLYGRW-GJZGRUSLSA-N 1 2 413.503 4.146 20 5 HIBDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])c(C)c1 ZINC000500112550 909592225 /nfs/dbraw/zinc/59/22/25/909592225.db2.gz SHFTVVJAMBTNNW-OAQYLSRUSA-N 1 2 421.501 4.034 20 5 HIBDLO C[C@H](c1nnc(SCc2ccccc2[N+](=O)[O-])n1-c1ccc(F)cc1)[NH+](C)C ZINC000501647150 910735838 /nfs/dbraw/zinc/73/58/38/910735838.db2.gz IIVGHNCJDXHOHD-CYBMUJFWSA-N 1 2 401.467 4.230 20 5 HIBDLO CC(C)(C)c1ccc(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000501962367 910949486 /nfs/dbraw/zinc/94/94/86/910949486.db2.gz OSGGZCJTOXUNMM-UHFFFAOYSA-N 1 2 408.458 4.420 20 5 HIBDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CC2)c1 ZINC000508241765 917059764 /nfs/dbraw/zinc/05/97/64/917059764.db2.gz UUIDJSIGZQWEBG-AWEZNQCLSA-N 1 2 418.881 4.168 20 5 HIBDLO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000509264011 917953488 /nfs/dbraw/zinc/95/34/88/917953488.db2.gz OXDVACWOVLKTFV-UHFFFAOYSA-N 1 2 411.506 4.100 20 5 HIBDLO O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CCN(Cc3cncs3)CC2)s1 ZINC000509365938 918029385 /nfs/dbraw/zinc/02/93/85/918029385.db2.gz LNMAQTOMGUGSJI-UHFFFAOYSA-N 1 2 400.529 4.098 20 5 HIBDLO COc1ccc(NC(=O)C[N@@H+]2C[C@H](C)CC[C@H]2c2ccccc2OC)c([N+](=O)[O-])c1 ZINC000510215946 918762074 /nfs/dbraw/zinc/76/20/74/918762074.db2.gz XBMXELYFIIHFOG-BEFAXECRSA-N 1 2 413.474 4.024 20 5 HIBDLO COc1ccc(NC(=O)C[N@H+]2C[C@H](C)CC[C@H]2c2ccccc2OC)c([N+](=O)[O-])c1 ZINC000510215946 918762088 /nfs/dbraw/zinc/76/20/88/918762088.db2.gz XBMXELYFIIHFOG-BEFAXECRSA-N 1 2 413.474 4.024 20 5 HIBDLO CC[N@@H+]1CC[C@@H](NC(=O)Nc2cccc([N+](=O)[O-])c2C)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000530461527 930716579 /nfs/dbraw/zinc/71/65/79/930716579.db2.gz RJXURWCSBTWXJH-APWZRJJASA-N 1 2 422.407 4.278 20 5 HIBDLO CC[N@H+]1CC[C@@H](NC(=O)Nc2cccc([N+](=O)[O-])c2C)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000530461527 930716585 /nfs/dbraw/zinc/71/65/85/930716585.db2.gz RJXURWCSBTWXJH-APWZRJJASA-N 1 2 422.407 4.278 20 5 HIBDLO O=C(C[NH+](Cc1cccs1)Cc1cccs1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000532746292 931619981 /nfs/dbraw/zinc/61/99/81/931619981.db2.gz KKIRLFLEOWYNFS-UHFFFAOYSA-N 1 2 413.524 4.309 20 5 HIBDLO COc1cc(CNc2ccc(-n3cc[nH+]c3)cc2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000532890897 931681515 /nfs/dbraw/zinc/68/15/15/931681515.db2.gz OLORWBMOZQGUNH-UHFFFAOYSA-N 1 2 422.363 4.342 20 5 HIBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000533426836 931865011 /nfs/dbraw/zinc/86/50/11/931865011.db2.gz JEZKKZZRHWYSBV-RHSMWYFYSA-N 1 2 424.432 4.440 20 5 HIBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000533426836 931865013 /nfs/dbraw/zinc/86/50/13/931865013.db2.gz JEZKKZZRHWYSBV-RHSMWYFYSA-N 1 2 424.432 4.440 20 5 HIBDLO C[N@@H+]1CC[C@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000533681003 931967049 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MTQPBCAUSBPDEA-OAHLLOKOSA-N 1 2 418.291 4.003 20 5 HIBDLO O=C(C[N@H+]1CCC[C@@H]1Cc1ccccc1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000025439072 846977834 /nfs/dbraw/zinc/97/78/34/846977834.db2.gz MTQPBCAUSBPDEA-OAHLLOKOSA-N 1 2 418.291 4.003 20 5 HIBDLO O=C(N[C@H](Cc1ccccc1)c1ccccc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032156028 847989568 /nfs/dbraw/zinc/98/95/68/847989568.db2.gz FYIKZQHHFGEZNI-OAQYLSRUSA-N 1 2 412.449 4.494 20 5 HIBDLO CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032482081 848036925 /nfs/dbraw/zinc/03/69/25/848036925.db2.gz XIZORWCPMGCGHX-UHFFFAOYSA-N 1 2 404.348 4.072 20 5 HIBDLO C[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)Cc1ccc(Br)cc1 ZINC000047406622 849041431 /nfs/dbraw/zinc/04/14/31/849041431.db2.gz NALIHHFEQMWKNC-UHFFFAOYSA-N 1 2 403.236 4.039 20 5 HIBDLO C[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)Cc1ccc(Br)cc1 ZINC000047406622 849041437 /nfs/dbraw/zinc/04/14/37/849041437.db2.gz NALIHHFEQMWKNC-UHFFFAOYSA-N 1 2 403.236 4.039 20 5 HIBDLO Cc1ccc(OC2CC[NH+](Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)cc1C ZINC000051992009 849536102 /nfs/dbraw/zinc/53/61/02/849536102.db2.gz DKRFJQZMZRREEV-UHFFFAOYSA-N 1 2 408.458 4.305 20 5 HIBDLO CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 ZINC000060447411 851102408 /nfs/dbraw/zinc/10/24/08/851102408.db2.gz PPFIMBVFTUEDQF-UHFFFAOYSA-N 1 2 422.485 4.231 20 5 HIBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000105019040 852687391 /nfs/dbraw/zinc/68/73/91/852687391.db2.gz XLUZFUYXOCMFQU-KRZKXXONSA-N 1 2 419.485 4.037 20 5 HIBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000105019037 852687401 /nfs/dbraw/zinc/68/74/01/852687401.db2.gz XLUZFUYXOCMFQU-MOTZXUDYSA-N 1 2 419.485 4.037 20 5 HIBDLO COc1c(C)c[nH+]c(CNC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)c1C ZINC000116247854 853294660 /nfs/dbraw/zinc/29/46/60/853294660.db2.gz SPCYSKWRMKOODQ-UHFFFAOYSA-N 1 2 420.469 4.157 20 5 HIBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N(CCc1ccccc1)C1CCCC1 ZINC000116842199 853335087 /nfs/dbraw/zinc/33/50/87/853335087.db2.gz PKUKWKXMROREOM-UHFFFAOYSA-N 1 2 404.470 4.408 20 5 HIBDLO Cc1c2ccccc2sc1C(=O)N1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000303815415 855217894 /nfs/dbraw/zinc/21/78/94/855217894.db2.gz DLVXNGUEIAGPHU-UHFFFAOYSA-N 1 2 409.511 4.118 20 5 HIBDLO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410052253 855801468 /nfs/dbraw/zinc/80/14/68/855801468.db2.gz IRNJVWXLQGZLKX-ZDUSSCGKSA-N 1 2 403.870 4.193 20 5 HIBDLO O=C(Nc1ncc(-c2ccc(F)cc2)s1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000432210845 859048355 /nfs/dbraw/zinc/04/83/55/859048355.db2.gz RNBOVMQSYINYAI-UHFFFAOYSA-N 1 2 409.402 4.295 20 5 HIBDLO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](c3cccc(Cl)c3)C2)c([N+](=O)[O-])c1 ZINC000433306128 859629210 /nfs/dbraw/zinc/62/92/10/859629210.db2.gz REQKORHCABGDJH-DZGCQCFKSA-N 1 2 403.866 4.073 20 5 HIBDLO COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](c3cccc(Cl)c3)C2)c([N+](=O)[O-])c1 ZINC000433306128 859629215 /nfs/dbraw/zinc/62/92/15/859629215.db2.gz REQKORHCABGDJH-DZGCQCFKSA-N 1 2 403.866 4.073 20 5 HIBDLO Cc1c(CC(=O)Nc2nc3c(s2)C[N@H+](Cc2ccccc2)CC3)cccc1[N+](=O)[O-] ZINC000439062177 864511655 /nfs/dbraw/zinc/51/16/55/864511655.db2.gz MTSNBEDLCVKSNC-UHFFFAOYSA-N 1 2 422.510 4.099 20 5 HIBDLO Cc1c(CC(=O)Nc2nc3c(s2)C[N@@H+](Cc2ccccc2)CC3)cccc1[N+](=O)[O-] ZINC000439062177 864511672 /nfs/dbraw/zinc/51/16/72/864511672.db2.gz MTSNBEDLCVKSNC-UHFFFAOYSA-N 1 2 422.510 4.099 20 5 HIBDLO Cc1ccc(Nc2nc(C[N@@H+]3CC[C@H](Nc4ccc([N+](=O)[O-])cn4)C3)cs2)cc1 ZINC000440494707 865795546 /nfs/dbraw/zinc/79/55/46/865795546.db2.gz NCMTVONEBNOQDQ-INIZCTEOSA-N 1 2 410.503 4.185 20 5 HIBDLO Cc1ccc(Nc2nc(C[N@H+]3CC[C@H](Nc4ccc([N+](=O)[O-])cn4)C3)cs2)cc1 ZINC000440494707 865795563 /nfs/dbraw/zinc/79/55/63/865795563.db2.gz NCMTVONEBNOQDQ-INIZCTEOSA-N 1 2 410.503 4.185 20 5 HIBDLO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)c1 ZINC000441481005 866559601 /nfs/dbraw/zinc/55/96/01/866559601.db2.gz LZBIGLFVEMPGCH-IBGZPJMESA-N 1 2 410.499 4.301 20 5 HIBDLO CC[C@@H](c1ccc(F)cc1F)[NH+]1CCN(Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000441486016 866567251 /nfs/dbraw/zinc/56/72/51/866567251.db2.gz MFUFPTSZWGAAJP-IBGZPJMESA-N 1 2 405.445 4.151 20 5 HIBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000443658725 868261984 /nfs/dbraw/zinc/26/19/84/868261984.db2.gz OKRJFGXDCAPMQT-AWEZNQCLSA-N 1 2 412.421 4.002 20 5 HIBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000443658725 868262023 /nfs/dbraw/zinc/26/20/23/868262023.db2.gz OKRJFGXDCAPMQT-AWEZNQCLSA-N 1 2 412.421 4.002 20 5 HIBDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C1 ZINC000444659689 868936720 /nfs/dbraw/zinc/93/67/20/868936720.db2.gz QEQJVSHKRDZBGO-INIZCTEOSA-N 1 2 406.442 4.140 20 5 HIBDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)C1 ZINC000444675620 868952158 /nfs/dbraw/zinc/95/21/58/868952158.db2.gz MOPPGADPUNTFHN-KRWDZBQOSA-N 1 2 422.510 4.499 20 5 HIBDLO CCn1c(SCc2c[nH+]cn2Cc2ccccc2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000445600918 869665401 /nfs/dbraw/zinc/66/54/01/869665401.db2.gz OXHJNSZCLLLYOH-UHFFFAOYSA-N 1 2 420.498 4.410 20 5 HIBDLO C[C@H]1OCC[C@@]12C[N@H+](Cc1ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c1)C[C@@H](C)O2 ZINC000448369802 872321496 /nfs/dbraw/zinc/32/14/96/872321496.db2.gz CAYIIHRVEJIRMQ-XCGNWRKASA-N 1 2 416.449 4.295 20 5 HIBDLO C[C@H]1OCC[C@@]12C[N@@H+](Cc1ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c1)C[C@@H](C)O2 ZINC000448369802 872321498 /nfs/dbraw/zinc/32/14/98/872321498.db2.gz CAYIIHRVEJIRMQ-XCGNWRKASA-N 1 2 416.449 4.295 20 5 HIBDLO Cc1ccc([C@H](C)NC(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)cc1[N+](=O)[O-] ZINC000462204183 875313535 /nfs/dbraw/zinc/31/35/35/875313535.db2.gz UHAXTSITLHECKM-JKSUJKDBSA-N 1 2 402.520 4.114 20 5 HIBDLO COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000463683267 876804483 /nfs/dbraw/zinc/80/44/83/876804483.db2.gz HSWLDVRUFJSNKY-UHFFFAOYSA-N 1 2 421.457 4.125 20 5 HIBDLO CN(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000463688659 876809382 /nfs/dbraw/zinc/80/93/82/876809382.db2.gz UIMUTXKTNBWSMH-UHFFFAOYSA-N 1 2 405.458 4.459 20 5 HIBDLO COc1ccc(C2CC[NH+]([C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CC2)cc1 ZINC000467157865 880891109 /nfs/dbraw/zinc/89/11/09/880891109.db2.gz JZSBIWGOCWJXHJ-CQSZACIVSA-N 1 2 417.893 4.463 20 5 HIBDLO Cc1ccc(NC(=O)c2ccc(N3CC[C@@H](C)[C@H](n4cc[nH+]c4)C3)c([N+](=O)[O-])c2)cc1 ZINC000469137238 883232712 /nfs/dbraw/zinc/23/27/12/883232712.db2.gz ZZUNORVUYDVFLS-VGOFRKELSA-N 1 2 419.485 4.440 20 5 HIBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000469160364 883257398 /nfs/dbraw/zinc/25/73/98/883257398.db2.gz VMAULRIDYBQOMH-GOSISDBHSA-N 1 2 410.518 4.103 20 5 HIBDLO C[C@H]1CCN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C[C@@H]1n1cc[nH+]c1 ZINC000469381370 883515736 /nfs/dbraw/zinc/51/57/36/883515736.db2.gz MMMUBSHRFHVHNG-JTSKRJEESA-N 1 2 419.485 4.127 20 5 HIBDLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000469952912 884153661 /nfs/dbraw/zinc/15/36/61/884153661.db2.gz KREOPVAPQRGPIM-UHFFFAOYSA-N 1 2 413.503 4.030 20 5 HIBDLO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000504089148 912998166 /nfs/dbraw/zinc/99/81/66/912998166.db2.gz LQYGIHOSJYOGAR-UHFFFAOYSA-N 1 2 414.462 4.352 20 5 HIBDLO CC[N@@H+]1CC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000471928951 886719657 /nfs/dbraw/zinc/71/96/57/886719657.db2.gz TWTUPJBOLXZHMT-PKOBYXMFSA-N 1 2 422.407 4.278 20 5 HIBDLO CC[N@H+]1CC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000471928951 886719670 /nfs/dbraw/zinc/71/96/70/886719670.db2.gz TWTUPJBOLXZHMT-PKOBYXMFSA-N 1 2 422.407 4.278 20 5 HIBDLO C[C@@H]1OCC[C@]12C[N@H+](Cc1ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c1)CCO2 ZINC000475296453 890204236 /nfs/dbraw/zinc/20/42/36/890204236.db2.gz VBWPJUHSKOTKFO-BTYIYWSLSA-N 1 2 418.877 4.420 20 5 HIBDLO C[C@@H]1OCC[C@]12C[N@@H+](Cc1ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c1)CCO2 ZINC000475296453 890204254 /nfs/dbraw/zinc/20/42/54/890204254.db2.gz VBWPJUHSKOTKFO-BTYIYWSLSA-N 1 2 418.877 4.420 20 5 HIBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000475565368 890494083 /nfs/dbraw/zinc/49/40/83/890494083.db2.gz DQOIWZWPVSAWEK-QFBILLFUSA-N 1 2 404.417 4.057 20 5 HIBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000475565368 890494090 /nfs/dbraw/zinc/49/40/90/890494090.db2.gz DQOIWZWPVSAWEK-QFBILLFUSA-N 1 2 404.417 4.057 20 5 HIBDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)Nc3cc(C)c([N+](=O)[O-])cc3C)CC2)c1 ZINC000475579130 890508078 /nfs/dbraw/zinc/50/80/78/890508078.db2.gz FXIQIXYCEPBZML-QGZVFWFLSA-N 1 2 412.490 4.131 20 5 HIBDLO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000477448020 892400869 /nfs/dbraw/zinc/40/08/69/892400869.db2.gz YXDBHWUAHHIYDD-UHFFFAOYSA-N 1 2 402.882 4.262 20 5 HIBDLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000477971912 893065279 /nfs/dbraw/zinc/06/52/79/893065279.db2.gz CWBOVOJEBIBJHE-UHFFFAOYSA-N 1 2 401.220 4.308 20 5 HIBDLO CCOC[C@@H]1CC[N@@H+]([C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C1 ZINC000478047078 893190812 /nfs/dbraw/zinc/19/08/12/893190812.db2.gz LRMDFIBIQOCLNO-FOIQADDNSA-N 1 2 417.893 4.286 20 5 HIBDLO CCOC[C@@H]1CC[N@H+]([C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C1 ZINC000478047078 893190834 /nfs/dbraw/zinc/19/08/34/893190834.db2.gz LRMDFIBIQOCLNO-FOIQADDNSA-N 1 2 417.893 4.286 20 5 HIBDLO O=C(N[C@@H](CCc1ccccc1)C(F)(F)F)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000479655446 894929478 /nfs/dbraw/zinc/92/94/78/894929478.db2.gz MFDCLJCXTXUEJI-SFHVURJKSA-N 1 2 418.375 4.074 20 5 HIBDLO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000480587150 895950001 /nfs/dbraw/zinc/95/00/01/895950001.db2.gz VFGHTTUAJLVSNS-UHFFFAOYSA-N 1 2 414.531 4.137 20 5 HIBDLO O=c1cc2c(n[nH]1)CC[N@@H+](Cc1ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c1)C2 ZINC000482296332 897791855 /nfs/dbraw/zinc/79/18/55/897791855.db2.gz XXFNXNKCACMNDC-UHFFFAOYSA-N 1 2 412.833 4.094 20 5 HIBDLO O=c1cc2c(n[nH]1)CC[N@H+](Cc1ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c1)C2 ZINC000482296332 897791863 /nfs/dbraw/zinc/79/18/63/897791863.db2.gz XXFNXNKCACMNDC-UHFFFAOYSA-N 1 2 412.833 4.094 20 5 HIBDLO C[C@H]([NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)c1nc(-c2cccc(F)c2)no1 ZINC000483331581 898959994 /nfs/dbraw/zinc/95/99/94/898959994.db2.gz SJDTZTCBNAEYLE-ZDUSSCGKSA-N 1 2 422.420 4.035 20 5 HIBDLO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)c1nc(C2CCCCC2)no1 ZINC000483655463 899314784 /nfs/dbraw/zinc/31/47/84/899314784.db2.gz RBYFQTBFZDKQJV-KBPBESRZSA-N 1 2 401.467 4.093 20 5 HIBDLO COc1ccc([C@H]([NH2+]Cc2c([N+](=O)[O-])ncn2C)c2ccc(C(F)(F)F)cc2)cc1 ZINC000486200818 901384564 /nfs/dbraw/zinc/38/45/64/901384564.db2.gz SOTKRBXHURNETD-GOSISDBHSA-N 1 2 420.391 4.235 20 5 HIBDLO Cc1ccc(C)c(N2CC[NH+]([C@@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)c1 ZINC000486256674 901440717 /nfs/dbraw/zinc/44/07/17/901440717.db2.gz XURAULSESZBTQG-KRWDZBQOSA-N 1 2 407.474 4.145 20 5 HIBDLO Cc1ccc([C@H](C)NC(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)cc1[N+](=O)[O-] ZINC000487722303 902316560 /nfs/dbraw/zinc/31/65/60/902316560.db2.gz QUHNXSXJUFAEFW-HIFRSBDPSA-N 1 2 417.535 4.474 20 5 HIBDLO Cc1ccc([C@H](C)NC(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)cc1[N+](=O)[O-] ZINC000487722303 902316574 /nfs/dbraw/zinc/31/65/74/902316574.db2.gz QUHNXSXJUFAEFW-HIFRSBDPSA-N 1 2 417.535 4.474 20 5 HIBDLO O=[N+]([O-])c1ccc(OC2CC[NH+](Cc3ccn(-c4ccc(F)cc4F)n3)CC2)cc1 ZINC000487943010 902474217 /nfs/dbraw/zinc/47/42/17/902474217.db2.gz GSSCCOYLOXTSOB-UHFFFAOYSA-N 1 2 414.412 4.102 20 5 HIBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCN([C@@H](C)c2nc(-c3ccccc3)no2)CC1 ZINC000489966113 903701658 /nfs/dbraw/zinc/70/16/58/903701658.db2.gz NTYZZHOGLJHRBV-ROUUACIJSA-N 1 2 421.501 4.393 20 5 HIBDLO C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000490208122 903828980 /nfs/dbraw/zinc/82/89/80/903828980.db2.gz UHVMIISBIVBGBF-CQSZACIVSA-N 1 2 403.429 4.057 20 5 HIBDLO C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000490208122 903828985 /nfs/dbraw/zinc/82/89/85/903828985.db2.gz UHVMIISBIVBGBF-CQSZACIVSA-N 1 2 403.429 4.057 20 5 HIBDLO O=C(C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)N(Cc1ccco1)c1ccccc1 ZINC000490824144 904269120 /nfs/dbraw/zinc/26/91/20/904269120.db2.gz HNIUSRASDRXIFK-UHFFFAOYSA-N 1 2 405.454 4.386 20 5 HIBDLO O=C(C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)N(Cc1ccco1)c1ccccc1 ZINC000490824144 904269131 /nfs/dbraw/zinc/26/91/31/904269131.db2.gz HNIUSRASDRXIFK-UHFFFAOYSA-N 1 2 405.454 4.386 20 5 HIBDLO O=C(C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)N(Cc1ccco1)Cc1ccccc1 ZINC000490830062 904273810 /nfs/dbraw/zinc/27/38/10/904273810.db2.gz VZVHUWBTVVKISN-UHFFFAOYSA-N 1 2 419.481 4.381 20 5 HIBDLO O=C(C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)N(Cc1ccco1)Cc1ccccc1 ZINC000490830062 904273815 /nfs/dbraw/zinc/27/38/15/904273815.db2.gz VZVHUWBTVVKISN-UHFFFAOYSA-N 1 2 419.481 4.381 20 5 HIBDLO O=[N+]([O-])c1cc(CN2CC[NH+](Cc3ccccn3)CC2)ccc1Oc1ccc(F)cc1 ZINC000506164467 914829790 /nfs/dbraw/zinc/82/97/90/914829790.db2.gz QQODCXFQHPKJDV-UHFFFAOYSA-N 1 2 422.460 4.239 20 5 HIBDLO CCOc1cc(C[N@H+](Cc2nc3ccccc3c(=O)[nH]2)[C@@H](C)CC)ccc1[N+](=O)[O-] ZINC000492517586 904863946 /nfs/dbraw/zinc/86/39/46/904863946.db2.gz XXCMJEUDCYRGPX-HNNXBMFYSA-N 1 2 410.474 4.443 20 5 HIBDLO CCOc1cc(C[N@@H+](Cc2nc3ccccc3c(=O)[nH]2)[C@@H](C)CC)ccc1[N+](=O)[O-] ZINC000492517586 904863949 /nfs/dbraw/zinc/86/39/49/904863949.db2.gz XXCMJEUDCYRGPX-HNNXBMFYSA-N 1 2 410.474 4.443 20 5 HIBDLO COc1cc(C[N@@H+]2CCC[C@@H](NC(=O)c3ccc4ccccc4c3)C2)ccc1[N+](=O)[O-] ZINC000492849781 904924434 /nfs/dbraw/zinc/92/44/34/904924434.db2.gz DDMFVGMAONPPAT-OAQYLSRUSA-N 1 2 419.481 4.151 20 5 HIBDLO COc1cc(C[N@H+]2CCC[C@@H](NC(=O)c3ccc4ccccc4c3)C2)ccc1[N+](=O)[O-] ZINC000492849781 904924455 /nfs/dbraw/zinc/92/44/55/904924455.db2.gz DDMFVGMAONPPAT-OAQYLSRUSA-N 1 2 419.481 4.151 20 5 HIBDLO O=C(NC1CC[NH+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1)c1ccccc1 ZINC000506260647 914869750 /nfs/dbraw/zinc/86/97/50/914869750.db2.gz YJPIQAWHVABDCN-UHFFFAOYSA-N 1 2 422.510 4.113 20 5 HIBDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000497743730 907239103 /nfs/dbraw/zinc/23/91/03/907239103.db2.gz MQXXJNQEODREPC-UHFFFAOYSA-N 1 2 402.882 4.022 20 5 HIBDLO C[C@H]1CO[C@H](c2cccc(Cl)c2)C[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000501864217 910893519 /nfs/dbraw/zinc/89/35/19/910893519.db2.gz QIIMSRHACCLGMT-LIRRHRJNSA-N 1 2 403.866 4.039 20 5 HIBDLO C[C@H]1CO[C@H](c2cccc(Cl)c2)C[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000501864217 910893524 /nfs/dbraw/zinc/89/35/24/910893524.db2.gz QIIMSRHACCLGMT-LIRRHRJNSA-N 1 2 403.866 4.039 20 5 HIBDLO CC(C)CCSc1ccc(C(=O)NCCc2cn3c([nH+]2)CCCC3)cc1[N+](=O)[O-] ZINC000502825375 911839663 /nfs/dbraw/zinc/83/96/63/911839663.db2.gz ADRRYHSKGMLIOV-UHFFFAOYSA-N 1 2 416.547 4.238 20 5 HIBDLO Cc1csc(Sc2ccc(C(=O)Nc3ccn4cc[nH+]c4c3)cc2[N+](=O)[O-])n1 ZINC000506860503 915646229 /nfs/dbraw/zinc/64/62/29/915646229.db2.gz IPDCDHLSHZQPML-UHFFFAOYSA-N 1 2 411.468 4.411 20 5 HIBDLO COc1ccc([C@@H](C)[NH2+]Cc2c(F)cc([N+](=O)[O-])cc2F)cc1Br ZINC000508977053 917730326 /nfs/dbraw/zinc/73/03/26/917730326.db2.gz IOCMPVQYCJPERP-SECBINFHSA-N 1 2 401.207 4.495 20 5 HIBDLO NC(=O)[C@H]([NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000509579940 918227982 /nfs/dbraw/zinc/22/79/82/918227982.db2.gz UAFALLDNSNMLNM-HXUWFJFHSA-N 1 2 411.845 4.357 20 5 HIBDLO C[C@@H](NC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1)c1cccc([N+](=O)[O-])c1 ZINC000509595545 918244060 /nfs/dbraw/zinc/24/40/60/918244060.db2.gz ZWBHAKMZDVZYFQ-UONOGXRCSA-N 1 2 403.508 4.166 20 5 HIBDLO C[C@@H](NC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1)c1cccc([N+](=O)[O-])c1 ZINC000509595545 918244075 /nfs/dbraw/zinc/24/40/75/918244075.db2.gz ZWBHAKMZDVZYFQ-UONOGXRCSA-N 1 2 403.508 4.166 20 5 HIBDLO Cc1cc(Br)ccc1N(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000510034375 918607805 /nfs/dbraw/zinc/60/78/05/918607805.db2.gz JESWKRJNWUUKQL-UHFFFAOYSA-N 1 2 415.247 4.128 20 5 HIBDLO O=C(NCCCCCOC1CCCCC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000517699749 926801744 /nfs/dbraw/zinc/80/17/44/926801744.db2.gz YRCFZBLSSPDTFR-UHFFFAOYSA-N 1 2 400.479 4.030 20 5 HIBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2Cc3ccccc3[C@H](c3ccccc3)C2)cc1 ZINC000517997642 926939462 /nfs/dbraw/zinc/93/94/62/926939462.db2.gz CPKRYJYBOHBHHL-QHCPKHFHSA-N 1 2 422.506 4.016 20 5 HIBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2Cc3ccccc3[C@H](c3ccccc3)C2)cc1 ZINC000517997642 926939474 /nfs/dbraw/zinc/93/94/74/926939474.db2.gz CPKRYJYBOHBHHL-QHCPKHFHSA-N 1 2 422.506 4.016 20 5 HIBDLO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000520473659 928587634 /nfs/dbraw/zinc/58/76/34/928587634.db2.gz YXPGQLJEVPHDKH-LBPRGKRZSA-N 1 2 424.910 4.097 20 5 HIBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000520691502 928739009 /nfs/dbraw/zinc/73/90/09/928739009.db2.gz YQYJXDOEFAAZBC-UHFFFAOYSA-N 1 2 408.483 4.170 20 5 HIBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000520691502 928739011 /nfs/dbraw/zinc/73/90/11/928739011.db2.gz YQYJXDOEFAAZBC-UHFFFAOYSA-N 1 2 408.483 4.170 20 5 HIBDLO Cc1csc(Sc2ccc(C(=O)Nc3cccc4[nH+]ccn43)cc2[N+](=O)[O-])n1 ZINC000524652004 929763789 /nfs/dbraw/zinc/76/37/89/929763789.db2.gz BRUQRLZAGUBGKB-UHFFFAOYSA-N 1 2 411.468 4.411 20 5 HIBDLO CCOc1ccc([C@@H](C)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)cc1[N+](=O)[O-] ZINC000530524764 930737134 /nfs/dbraw/zinc/73/71/34/930737134.db2.gz PUXLEHVINKFSAX-OWCLPIDISA-N 1 2 400.479 4.175 20 5 HIBDLO C[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)Cc1cccc(Br)c1 ZINC000532493849 931459932 /nfs/dbraw/zinc/45/99/32/931459932.db2.gz ZZLBBGPTGNCZNA-UHFFFAOYSA-N 1 2 403.236 4.039 20 5 HIBDLO C[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)Cc1cccc(Br)c1 ZINC000532493849 931459936 /nfs/dbraw/zinc/45/99/36/931459936.db2.gz ZZLBBGPTGNCZNA-UHFFFAOYSA-N 1 2 403.236 4.039 20 5 HIBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H](c2ccccc2Cl)OC[C@H]1C ZINC000532981972 931725869 /nfs/dbraw/zinc/72/58/69/931725869.db2.gz MEDNXCCHVJXZFL-QRWLVFNGSA-N 1 2 417.893 4.347 20 5 HIBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H](c2ccccc2Cl)OC[C@H]1C ZINC000532981972 931725877 /nfs/dbraw/zinc/72/58/77/931725877.db2.gz MEDNXCCHVJXZFL-QRWLVFNGSA-N 1 2 417.893 4.347 20 5 HIBDLO C[C@H]1C[C@H](c2ccccc2)C[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000533436518 931868657 /nfs/dbraw/zinc/86/86/57/931868657.db2.gz LELHLUHUKRUHOD-ZFWWWQNUSA-N 1 2 418.291 4.174 20 5 HIBDLO C[C@H]1C[C@H](c2ccccc2)C[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000533436518 931868661 /nfs/dbraw/zinc/86/86/61/931868661.db2.gz LELHLUHUKRUHOD-ZFWWWQNUSA-N 1 2 418.291 4.174 20 5 HIBDLO COc1ccc(CNc2ccc(N(C)C)[nH+]c2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000533446161 931871849 /nfs/dbraw/zinc/87/18/49/931871849.db2.gz MPGWPGCDCWNASD-UHFFFAOYSA-N 1 2 408.458 4.256 20 5 HIBDLO COc1cc(C[N@@H+]2CCC[C@H]2c2ccccn2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000534337001 932386321 /nfs/dbraw/zinc/38/63/21/932386321.db2.gz XHLYXPNZKRBXRH-HNNXBMFYSA-N 1 2 411.380 4.277 20 5 HIBDLO COc1cc(C[N@H+]2CCC[C@H]2c2ccccn2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000534337001 932386329 /nfs/dbraw/zinc/38/63/29/932386329.db2.gz XHLYXPNZKRBXRH-HNNXBMFYSA-N 1 2 411.380 4.277 20 5 HIBDLO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC000534391546 932416079 /nfs/dbraw/zinc/41/60/79/932416079.db2.gz QHYPCMBCXVHHIB-FUHWJXTLSA-N 1 2 423.897 4.284 20 5 HIBDLO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC000534391546 932416082 /nfs/dbraw/zinc/41/60/82/932416082.db2.gz QHYPCMBCXVHHIB-FUHWJXTLSA-N 1 2 423.897 4.284 20 5 HIBDLO Cc1ccc(Sc2ccc(C(=O)N3CC[C@@H](c4[nH+]ccn4C)C3)cc2[N+](=O)[O-])cc1 ZINC000535144377 932962564 /nfs/dbraw/zinc/96/25/64/932962564.db2.gz XWFHXEWAIFQPPG-QGZVFWFLSA-N 1 2 422.510 4.418 20 5 HIBDLO C[N@@H+]1CC[C@@H](NC(=O)CSc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535886468 933467979 /nfs/dbraw/zinc/46/79/79/933467979.db2.gz SWZRTNOPTZUSNX-MJGOQNOKSA-N 1 2 423.897 4.041 20 5 HIBDLO C[N@H+]1CC[C@@H](NC(=O)CSc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535886468 933467986 /nfs/dbraw/zinc/46/79/86/933467986.db2.gz SWZRTNOPTZUSNX-MJGOQNOKSA-N 1 2 423.897 4.041 20 5 HIBDLO COc1ccc(OCc2ccccn2)c(C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c1 ZINC000537625914 938338494 /nfs/dbraw/zinc/33/84/94/938338494.db2.gz ZOOZTQGZRIFBPR-UHFFFAOYSA-N 1 2 405.454 4.136 20 5 HIBDLO COc1ccc(OCc2ccccn2)c(C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c1 ZINC000537625914 938338497 /nfs/dbraw/zinc/33/84/97/938338497.db2.gz ZOOZTQGZRIFBPR-UHFFFAOYSA-N 1 2 405.454 4.136 20 5 HIBDLO CCOc1ccc([C@@H](C)[NH2+]Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1OCC ZINC000538164953 938531707 /nfs/dbraw/zinc/53/17/07/938531707.db2.gz UUAJZYFJBVUNCF-CQSZACIVSA-N 1 2 412.446 4.293 20 5 HIBDLO CC(C)(C)OC(=O)C[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000538827491 938720852 /nfs/dbraw/zinc/72/08/52/938720852.db2.gz CTKMXHHWZVTCEX-CYBMUJFWSA-N 1 2 400.422 4.140 20 5 HIBDLO CC(C)(C)OC(=O)C[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000538827491 938720855 /nfs/dbraw/zinc/72/08/55/938720855.db2.gz CTKMXHHWZVTCEX-CYBMUJFWSA-N 1 2 400.422 4.140 20 5 HIBDLO Cc1cc(C)cc(C2=CCN(C(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)CC2)c1 ZINC000539917967 938977682 /nfs/dbraw/zinc/97/76/82/938977682.db2.gz RRZGVEYQCIOULE-UHFFFAOYSA-N 1 2 402.454 4.327 20 5 HIBDLO C[C@@H](C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000541613477 939570529 /nfs/dbraw/zinc/57/05/29/939570529.db2.gz QLYFPEGOLVBXLI-OWCLPIDISA-N 1 2 415.465 4.085 20 5 HIBDLO C[C@@H](C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000541613477 939570534 /nfs/dbraw/zinc/57/05/34/939570534.db2.gz QLYFPEGOLVBXLI-OWCLPIDISA-N 1 2 415.465 4.085 20 5 HIBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](C)c1nc(C2CCCCC2)no1 ZINC000542623010 939849806 /nfs/dbraw/zinc/84/98/06/939849806.db2.gz YDXRBDIYIIATQF-AWEZNQCLSA-N 1 2 401.467 4.013 20 5 HIBDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)CC(=O)Nc1ccc(Br)cc1C ZINC000542701970 939855297 /nfs/dbraw/zinc/85/52/97/939855297.db2.gz RUAKHIDUYDFOMS-UHFFFAOYSA-N 1 2 406.280 4.045 20 5 HIBDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)CC(=O)Nc1ccc(Br)cc1C ZINC000542701970 939855299 /nfs/dbraw/zinc/85/52/99/939855299.db2.gz RUAKHIDUYDFOMS-UHFFFAOYSA-N 1 2 406.280 4.045 20 5 HIBDLO CC[C@H]([NH2+]CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1nc(C)cs1 ZINC000543488856 940081220 /nfs/dbraw/zinc/08/12/20/940081220.db2.gz XUQAWESPKRJCSX-AWEZNQCLSA-N 1 2 417.516 4.163 20 5 HIBDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)c(C)c1 ZINC000544417097 940417889 /nfs/dbraw/zinc/41/78/89/940417889.db2.gz OLYUONIAQIABCG-IERDGZPVSA-N 1 2 410.449 4.208 20 5 HIBDLO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CCOCC3(CCC3)C2)c([N+](=O)[O-])c1 ZINC000545397687 940568210 /nfs/dbraw/zinc/56/82/10/940568210.db2.gz SYIWNXOHVPZOOG-NRFANRHFSA-N 1 2 409.486 4.086 20 5 HIBDLO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CCOCC3(CCC3)C2)c([N+](=O)[O-])c1 ZINC000545397687 940568211 /nfs/dbraw/zinc/56/82/11/940568211.db2.gz SYIWNXOHVPZOOG-NRFANRHFSA-N 1 2 409.486 4.086 20 5 HIBDLO Cn1c[nH+]cc1CCNC(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 ZINC000548133086 941088329 /nfs/dbraw/zinc/08/83/29/941088329.db2.gz MCJIWKNPUZMIIZ-UHFFFAOYSA-N 1 2 416.890 4.105 20 5 HIBDLO C[C@@H](C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)Oc1ccccc1Cl ZINC000552062222 941576926 /nfs/dbraw/zinc/57/69/26/941576926.db2.gz QANGMRYHIWLLSA-LIRRHRJNSA-N 1 2 400.866 4.128 20 5 HIBDLO Cc1ccc([C@H](C)[NH2+]Cc2cn(-c3ccccc3Br)nn2)cc1[N+](=O)[O-] ZINC000552564119 941708025 /nfs/dbraw/zinc/70/80/25/941708025.db2.gz RPXPAADUUZSYFT-ZDUSSCGKSA-N 1 2 416.279 4.097 20 5 HIBDLO COc1ccc(OCc2nc(C[N@H+](C)CCc3cccc([N+](=O)[O-])c3)cs2)cc1 ZINC000554845623 942283745 /nfs/dbraw/zinc/28/37/45/942283745.db2.gz COAROYXCFXZKFS-UHFFFAOYSA-N 1 2 413.499 4.313 20 5 HIBDLO COc1ccc(OCc2nc(C[N@@H+](C)CCc3cccc([N+](=O)[O-])c3)cs2)cc1 ZINC000554845623 942283760 /nfs/dbraw/zinc/28/37/60/942283760.db2.gz COAROYXCFXZKFS-UHFFFAOYSA-N 1 2 413.499 4.313 20 5 HIBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000559144141 943853560 /nfs/dbraw/zinc/85/35/60/943853560.db2.gz GNDYNFQDOBCRMS-CQSZACIVSA-N 1 2 414.849 4.383 20 5 HIBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000559144141 943853561 /nfs/dbraw/zinc/85/35/61/943853561.db2.gz GNDYNFQDOBCRMS-CQSZACIVSA-N 1 2 414.849 4.383 20 5 HIBDLO COc1cc([C@H](C)[NH2+]Cc2cc(O)ccc2[N+](=O)[O-])ccc1OCc1ccncc1 ZINC000559147012 943854033 /nfs/dbraw/zinc/85/40/33/943854033.db2.gz KAYYRFHJIYYGDR-HNNXBMFYSA-N 1 2 409.442 4.134 20 5 HIBDLO C[C@H]([NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)c1c(F)cccc1F ZINC000568449804 946554718 /nfs/dbraw/zinc/55/47/18/946554718.db2.gz URSFGVKPSPTGKZ-VIFPVBQESA-N 1 2 418.181 4.328 20 5 HIBDLO Cc1cc(Br)ccc1NC(=O)C[N@@H+](C)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000007680524 845388214 /nfs/dbraw/zinc/38/82/14/845388214.db2.gz HMMRIDVNEHMLIM-CYBMUJFWSA-N 1 2 406.280 4.297 20 5 HIBDLO Cc1cc(Br)ccc1NC(=O)C[N@H+](C)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000007680524 845388226 /nfs/dbraw/zinc/38/82/26/845388226.db2.gz HMMRIDVNEHMLIM-CYBMUJFWSA-N 1 2 406.280 4.297 20 5 HIBDLO O=C(C[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000024662673 846850892 /nfs/dbraw/zinc/85/08/92/846850892.db2.gz ZCWLQPVBPRNXNX-ZDUSSCGKSA-N 1 2 414.849 4.208 20 5 HIBDLO O=C(C[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000024662673 846850893 /nfs/dbraw/zinc/85/08/93/846850893.db2.gz ZCWLQPVBPRNXNX-ZDUSSCGKSA-N 1 2 414.849 4.208 20 5 HIBDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)n2)C1 ZINC000024886752 846883235 /nfs/dbraw/zinc/88/32/35/846883235.db2.gz DCISMHXRZRPXHO-CYBMUJFWSA-N 1 2 415.519 4.110 20 5 HIBDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)n2)C1 ZINC000024886752 846883239 /nfs/dbraw/zinc/88/32/39/846883239.db2.gz DCISMHXRZRPXHO-CYBMUJFWSA-N 1 2 415.519 4.110 20 5 HIBDLO O=[N+]([O-])c1ccc(CSc2nnc(C[NH+]3CCCC3)n2Cc2ccccc2)cc1 ZINC000029737939 847610914 /nfs/dbraw/zinc/61/09/14/847610914.db2.gz GCSWSNOBTDQSOO-UHFFFAOYSA-N 1 2 409.515 4.123 20 5 HIBDLO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032040355 847981530 /nfs/dbraw/zinc/98/15/30/847981530.db2.gz XKTFJWBHJUBWIO-UHFFFAOYSA-N 1 2 405.241 4.360 20 5 HIBDLO C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032343148 848009497 /nfs/dbraw/zinc/00/94/97/848009497.db2.gz LUDRKVHJGOHASG-ZDUSSCGKSA-N 1 2 407.455 4.223 20 5 HIBDLO C[C@@H](c1nnc(Sc2ccc([N+](=O)[O-])cc2F)n1-c1ccc(F)cc1)[NH+](C)C ZINC000042097323 848285595 /nfs/dbraw/zinc/28/55/95/848285595.db2.gz XYZVRQUQWOVVBZ-NSHDSACASA-N 1 2 405.430 4.228 20 5 HIBDLO CC(C)([NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1ccc(Br)cc1 ZINC000047258125 849016370 /nfs/dbraw/zinc/01/63/70/849016370.db2.gz FKGHKUACSCDHSA-UHFFFAOYSA-N 1 2 417.263 4.432 20 5 HIBDLO O=C(Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2)c1ccc([N+](=O)[O-])cc1F ZINC000054151117 849816989 /nfs/dbraw/zinc/81/69/89/849816989.db2.gz UNQXOICFPIUAJZ-UHFFFAOYSA-N 1 2 412.446 4.001 20 5 HIBDLO O=C(Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2)c1ccc([N+](=O)[O-])cc1F ZINC000054151117 849816995 /nfs/dbraw/zinc/81/69/95/849816995.db2.gz UNQXOICFPIUAJZ-UHFFFAOYSA-N 1 2 412.446 4.001 20 5 HIBDLO O=C(Nc1ccc(OCc2ccccc2)nc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000055564498 850056445 /nfs/dbraw/zinc/05/64/45/850056445.db2.gz GENCWICGQYTDBR-UHFFFAOYSA-N 1 2 415.409 4.007 20 5 HIBDLO O=C(c1ccc(Cl)cc1)C1CC[NH+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000060483546 851114807 /nfs/dbraw/zinc/11/48/07/851114807.db2.gz WVLOBKQKCLQYLG-UHFFFAOYSA-N 1 2 416.861 4.210 20 5 HIBDLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000064918320 852021833 /nfs/dbraw/zinc/02/18/33/852021833.db2.gz WKOHIYACDGJEHD-UHFFFAOYSA-N 1 2 423.498 4.034 20 5 HIBDLO O=C(Nc1ccccc1NCC(F)(F)F)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000066050624 852365136 /nfs/dbraw/zinc/36/51/36/852365136.db2.gz UMPJQFPXJDPLPY-UHFFFAOYSA-N 1 2 405.336 4.007 20 5 HIBDLO CN1CC[NH+](C[C@H](Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c2ccccc2)CC1 ZINC000301147332 854312144 /nfs/dbraw/zinc/31/21/44/854312144.db2.gz HNGPTLHVMNXVKK-SFHVURJKSA-N 1 2 408.424 4.014 20 5 HIBDLO C[C@@H](c1nnc(Sc2ncc([N+](=O)[O-])cc2Cl)n1-c1ccc(F)cc1)[NH+](C)C ZINC000301279099 854346878 /nfs/dbraw/zinc/34/68/78/854346878.db2.gz NDZUSMKUBKHZNT-JTQLQIEISA-N 1 2 422.873 4.137 20 5 HIBDLO CC[C@@H](C)[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1nc2ccccc2[nH]1 ZINC000410076302 855809742 /nfs/dbraw/zinc/80/97/42/855809742.db2.gz XLWHRCAIUYDFIA-JLTOFOAXSA-N 1 2 418.457 4.174 20 5 HIBDLO C[C@H](NC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1)c1cccc([N+](=O)[O-])c1 ZINC000426004833 856041584 /nfs/dbraw/zinc/04/15/84/856041584.db2.gz APVRVZBAWDHXBM-ONGXBYRLSA-N 1 2 405.458 4.080 20 5 HIBDLO CCCc1nc(C)c(C[NH+]2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)o1 ZINC000428460165 857210231 /nfs/dbraw/zinc/21/02/31/857210231.db2.gz GASBMKTUWBUZMQ-UHFFFAOYSA-N 1 2 412.412 4.185 20 5 HIBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@@H](Sc2cccc(Cl)c2)C1 ZINC000429149695 857532004 /nfs/dbraw/zinc/53/20/04/857532004.db2.gz LUQIHWQSTMQOJQ-MRXNPFEDSA-N 1 2 405.907 4.362 20 5 HIBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@@H](Sc2cccc(Cl)c2)C1 ZINC000429149695 857532016 /nfs/dbraw/zinc/53/20/16/857532016.db2.gz LUQIHWQSTMQOJQ-MRXNPFEDSA-N 1 2 405.907 4.362 20 5 HIBDLO NC(=O)c1ccc(C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C2CC2)c(F)c1 ZINC000430085877 858024665 /nfs/dbraw/zinc/02/46/65/858024665.db2.gz OHJBGDNSQBXLPW-UHFFFAOYSA-N 1 2 409.417 4.257 20 5 HIBDLO NC(=O)c1ccc(C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C2CC2)c(F)c1 ZINC000430085877 858024667 /nfs/dbraw/zinc/02/46/67/858024667.db2.gz OHJBGDNSQBXLPW-UHFFFAOYSA-N 1 2 409.417 4.257 20 5 HIBDLO COc1ccc([C@H]([NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)c2nccn2C)cc1 ZINC000433137494 859535854 /nfs/dbraw/zinc/53/58/54/859535854.db2.gz UCGVOZLVUNJJQX-SFTDATJTSA-N 1 2 406.486 4.439 20 5 HIBDLO C[C@]1(CCc2ccccc2)CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000434250281 860230074 /nfs/dbraw/zinc/23/00/74/860230074.db2.gz QOVGWSWDUOAIME-QHCPKHFHSA-N 1 2 404.470 4.266 20 5 HIBDLO C[C@H]1[C@H](c2ccccc2)CC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000434907129 860549974 /nfs/dbraw/zinc/54/99/74/860549974.db2.gz WBMJLHCBLHBEJK-XJKSGUPXSA-N 1 2 418.291 4.174 20 5 HIBDLO C[C@H]1[C@H](c2ccccc2)CC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000434907129 860549979 /nfs/dbraw/zinc/54/99/79/860549979.db2.gz WBMJLHCBLHBEJK-XJKSGUPXSA-N 1 2 418.291 4.174 20 5 HIBDLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)c1ncc(Cl)cc1[N+](=O)[O-] ZINC000434941896 860566244 /nfs/dbraw/zinc/56/62/44/860566244.db2.gz GHSOQJYKHDHHOK-UHFFFAOYSA-N 1 2 415.881 4.335 20 5 HIBDLO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000435816214 861080144 /nfs/dbraw/zinc/08/01/44/861080144.db2.gz IKJQFWLKGAVCTE-QFIPXVFZSA-N 1 2 415.493 4.231 20 5 HIBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCc2c3cccc(F)c3[nH]c2C1 ZINC000439483141 864847530 /nfs/dbraw/zinc/84/75/30/864847530.db2.gz FRUJJCJAMIMUSK-UHFFFAOYSA-N 1 2 410.449 4.301 20 5 HIBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCCc2c3cccc(F)c3[nH]c2C1 ZINC000439483141 864847533 /nfs/dbraw/zinc/84/75/33/864847533.db2.gz FRUJJCJAMIMUSK-UHFFFAOYSA-N 1 2 410.449 4.301 20 5 HIBDLO C[C@@H](c1cccc(O)c1)[N@H+](C)CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000440417470 865716340 /nfs/dbraw/zinc/71/63/40/865716340.db2.gz QYMCCWTTYLIPRF-ZDUSSCGKSA-N 1 2 412.471 4.055 20 5 HIBDLO C[C@@H](c1cccc(O)c1)[N@@H+](C)CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000440417470 865716358 /nfs/dbraw/zinc/71/63/58/865716358.db2.gz QYMCCWTTYLIPRF-ZDUSSCGKSA-N 1 2 412.471 4.055 20 5 HIBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H](c1cccc(Cl)c1)c1ccccn1 ZINC000441017572 866085260 /nfs/dbraw/zinc/08/52/60/866085260.db2.gz QRRSMLPIUJPZPD-NRFANRHFSA-N 1 2 410.861 4.269 20 5 HIBDLO O=C(Nc1cccc(NCC(F)(F)F)c1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000468115711 881941645 /nfs/dbraw/zinc/94/16/45/881941645.db2.gz AGKIQNYECKZYEV-UHFFFAOYSA-N 1 2 405.336 4.007 20 5 HIBDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])C1 ZINC000441068963 866154841 /nfs/dbraw/zinc/15/48/41/866154841.db2.gz NYDXPPMNAFUCRY-OAHLLOKOSA-N 1 2 408.483 4.109 20 5 HIBDLO C[C@H](c1nc(-c2cccs2)no1)N1CC[NH+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000441373111 866441056 /nfs/dbraw/zinc/44/10/56/866441056.db2.gz AICCJCRZRHIGKK-LSDHHAIUSA-N 1 2 413.503 4.146 20 5 HIBDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@@H](C)C1 ZINC000441787839 866859187 /nfs/dbraw/zinc/85/91/87/866859187.db2.gz JUJWEGIPCSOHMO-KRWDZBQOSA-N 1 2 412.490 4.040 20 5 HIBDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@@H](C)C1 ZINC000441787839 866859189 /nfs/dbraw/zinc/85/91/89/866859189.db2.gz JUJWEGIPCSOHMO-KRWDZBQOSA-N 1 2 412.490 4.040 20 5 HIBDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000442182794 867205182 /nfs/dbraw/zinc/20/51/82/867205182.db2.gz JAPRZHOEUQOENP-JOCHJYFZSA-N 1 2 421.501 4.158 20 5 HIBDLO Cc1cc(Br)ccc1C[N@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000444701149 868964101 /nfs/dbraw/zinc/96/41/01/868964101.db2.gz HKBUCCLWGGOUJI-UHFFFAOYSA-N 1 2 417.263 4.348 20 5 HIBDLO Cc1cc(Br)ccc1C[N@@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000444701149 868964104 /nfs/dbraw/zinc/96/41/04/868964104.db2.gz HKBUCCLWGGOUJI-UHFFFAOYSA-N 1 2 417.263 4.348 20 5 HIBDLO C[C@H]([NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1ccc(Br)s1 ZINC000444772814 868996955 /nfs/dbraw/zinc/99/69/55/868996955.db2.gz OYBTZTOHZAUJLU-VIFPVBQESA-N 1 2 409.265 4.320 20 5 HIBDLO O=[N+]([O-])c1cc(-c2nc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)ccc1Nc1ccccc1 ZINC000445814677 869837662 /nfs/dbraw/zinc/83/76/62/869837662.db2.gz AWOXTYJXEMYHAX-FXAWDEMLSA-N 1 2 421.457 4.314 20 5 HIBDLO O=[N+]([O-])c1cc(-c2nc([C@H]3C[N@H+]4CCCC[C@H]4CO3)no2)ccc1Nc1ccccc1 ZINC000445814677 869837665 /nfs/dbraw/zinc/83/76/65/869837665.db2.gz AWOXTYJXEMYHAX-FXAWDEMLSA-N 1 2 421.457 4.314 20 5 HIBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000448026746 871866498 /nfs/dbraw/zinc/86/64/98/871866498.db2.gz JQHUCOOIOQMGGX-JLTOFOAXSA-N 1 2 416.909 4.478 20 5 HIBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000448026746 871866500 /nfs/dbraw/zinc/86/65/00/871866500.db2.gz JQHUCOOIOQMGGX-JLTOFOAXSA-N 1 2 416.909 4.478 20 5 HIBDLO Cc1nc(C[N@@H+]2CCCN(c3cc(C)c([N+](=O)[O-])cc3C(F)(F)F)CC2)cs1 ZINC000461938208 875073513 /nfs/dbraw/zinc/07/35/13/875073513.db2.gz RIZXCJLDYWGUTH-UHFFFAOYSA-N 1 2 414.453 4.399 20 5 HIBDLO Cc1nc(C[N@H+]2CCCN(c3cc(C)c([N+](=O)[O-])cc3C(F)(F)F)CC2)cs1 ZINC000461938208 875073528 /nfs/dbraw/zinc/07/35/28/875073528.db2.gz RIZXCJLDYWGUTH-UHFFFAOYSA-N 1 2 414.453 4.399 20 5 HIBDLO Cc1ccc([C@@H](C)NC(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)cc1[N+](=O)[O-] ZINC000462204182 875312598 /nfs/dbraw/zinc/31/25/98/875312598.db2.gz UHAXTSITLHECKM-HZPDHXFCSA-N 1 2 402.520 4.114 20 5 HIBDLO Cc1c(CNC(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)cccc1[N+](=O)[O-] ZINC000463701196 876820337 /nfs/dbraw/zinc/82/03/37/876820337.db2.gz BBJILNUDKWLGRN-UHFFFAOYSA-N 1 2 405.458 4.425 20 5 HIBDLO CC[C@](C)([NH2+]Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])c1nc(C)cs1 ZINC000464805416 878050041 /nfs/dbraw/zinc/05/00/41/878050041.db2.gz LEQVGJBCZGKHHB-KRWDZBQOSA-N 1 2 401.435 4.385 20 5 HIBDLO Cc1ccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCC(OCC3CC3)CC2)c([N+](=O)[O-])c1 ZINC000464819676 878072799 /nfs/dbraw/zinc/07/27/99/878072799.db2.gz UCXHAZFAMOPEFW-QHCPKHFHSA-N 1 2 423.513 4.474 20 5 HIBDLO COc1ccc(-c2ccc(C[NH2+][C@H](CO)c3cccc(Cl)c3F)o2)c([N+](=O)[O-])c1 ZINC000466384765 880144599 /nfs/dbraw/zinc/14/45/99/880144599.db2.gz VLSKDPJYKKUNCL-QGZVFWFLSA-N 1 2 420.824 4.479 20 5 HIBDLO O=C(Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2)c1ccc(F)cc1[N+](=O)[O-] ZINC000466392930 880153778 /nfs/dbraw/zinc/15/37/78/880153778.db2.gz QSRFDOTVWZLZQE-UHFFFAOYSA-N 1 2 412.446 4.001 20 5 HIBDLO O=C(Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2)c1ccc(F)cc1[N+](=O)[O-] ZINC000466392930 880153786 /nfs/dbraw/zinc/15/37/86/880153786.db2.gz QSRFDOTVWZLZQE-UHFFFAOYSA-N 1 2 412.446 4.001 20 5 HIBDLO O=C(NCCc1[nH]cc[nH+]1)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 ZINC000467517683 881331683 /nfs/dbraw/zinc/33/16/83/881331683.db2.gz XINUDLJGEDAFBF-UHFFFAOYSA-N 1 2 402.863 4.095 20 5 HIBDLO C[C@@H]1CCN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C[C@H]1n1cc[nH+]c1 ZINC000469381371 883516774 /nfs/dbraw/zinc/51/67/74/883516774.db2.gz MMMUBSHRFHVHNG-VGOFRKELSA-N 1 2 419.485 4.127 20 5 HIBDLO CC[C@H](c1ccc(Br)cc1)[NH+]1CCN(c2cc(C)c([N+](=O)[O-])cn2)CC1 ZINC000470865875 885355349 /nfs/dbraw/zinc/35/53/49/885355349.db2.gz UCRJQOOAGONNNL-QGZVFWFLSA-N 1 2 419.323 4.334 20 5 HIBDLO Cc1ccc([C@H]([NH2+]CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])c2ccccn2)cc1 ZINC000471074572 885595374 /nfs/dbraw/zinc/59/53/74/885595374.db2.gz MFAQDOLGAYBDBT-NRFANRHFSA-N 1 2 410.861 4.269 20 5 HIBDLO Cc1cn([C@@H](C)c2ccccc2)nc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000472830385 887678158 /nfs/dbraw/zinc/67/81/58/887678158.db2.gz XBQKPQODBDGOCT-INIZCTEOSA-N 1 2 416.441 4.147 20 5 HIBDLO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCSC[C@H]3c3nccs3)o2)c1 ZINC000473451528 888176548 /nfs/dbraw/zinc/17/65/48/888176548.db2.gz VKIHTCOCTRVYLN-HNNXBMFYSA-N 1 2 402.501 4.039 20 5 HIBDLO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCSC[C@H]3c3nccs3)o2)c1 ZINC000473451528 888176557 /nfs/dbraw/zinc/17/65/57/888176557.db2.gz VKIHTCOCTRVYLN-HNNXBMFYSA-N 1 2 402.501 4.039 20 5 HIBDLO COc1c(C[NH2+]Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])oc2ccccc21 ZINC000475142246 890009481 /nfs/dbraw/zinc/00/94/81/890009481.db2.gz ASWMASNVZVVLHX-UHFFFAOYSA-N 1 2 422.384 4.292 20 5 HIBDLO Cc1c(C[NH2+]Cc2c(F)ccc(I)c2F)cccc1[N+](=O)[O-] ZINC000475224074 890093775 /nfs/dbraw/zinc/09/37/75/890093775.db2.gz MUCUUVUSNOOKOF-UHFFFAOYSA-N 1 2 418.181 4.076 20 5 HIBDLO C[C@@H]1C[N@H+](Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C[C@@]2(CCOC2)O1 ZINC000475630713 890570977 /nfs/dbraw/zinc/57/09/77/890570977.db2.gz IKTKQWVNALMKRJ-QVKFZJNVSA-N 1 2 418.877 4.420 20 5 HIBDLO C[C@@H]1C[N@@H+](Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C[C@@]2(CCOC2)O1 ZINC000475630713 890570985 /nfs/dbraw/zinc/57/09/85/890570985.db2.gz IKTKQWVNALMKRJ-QVKFZJNVSA-N 1 2 418.877 4.420 20 5 HIBDLO O=C(CC[N@@H+]1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000477013427 891938892 /nfs/dbraw/zinc/93/88/92/891938892.db2.gz SFELHVHYVFXECK-GOSISDBHSA-N 1 2 423.391 4.016 20 5 HIBDLO O=C(CC[N@H+]1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000477013427 891938911 /nfs/dbraw/zinc/93/89/11/891938911.db2.gz SFELHVHYVFXECK-GOSISDBHSA-N 1 2 423.391 4.016 20 5 HIBDLO CCOC[C@H]1CC[N@@H+]([C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C1 ZINC000478047079 893192101 /nfs/dbraw/zinc/19/21/01/893192101.db2.gz LRMDFIBIQOCLNO-MGPUTAFESA-N 1 2 417.893 4.286 20 5 HIBDLO CCOC[C@H]1CC[N@H+]([C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C1 ZINC000478047079 893192118 /nfs/dbraw/zinc/19/21/18/893192118.db2.gz LRMDFIBIQOCLNO-MGPUTAFESA-N 1 2 417.893 4.286 20 5 HIBDLO Cc1coc(-c2cc(NC(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)ccc2C)n1 ZINC000478506817 893818752 /nfs/dbraw/zinc/81/87/52/893818752.db2.gz OKVKNXZNKMIRAW-UHFFFAOYSA-N 1 2 403.398 4.305 20 5 HIBDLO CCC[C@H]([NH2+][C@H](C(N)=O)c1cccc(Br)c1)c1cccc([N+](=O)[O-])c1 ZINC000479475100 894798331 /nfs/dbraw/zinc/79/83/31/894798331.db2.gz LAWRZPBXHQEDJS-IRXDYDNUSA-N 1 2 406.280 4.015 20 5 HIBDLO O=[N+]([O-])c1cnc(C(F)(F)F)cc1NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC000480191059 895588913 /nfs/dbraw/zinc/58/89/13/895588913.db2.gz BXJIQKCJMCSIQY-QWRGUYRKSA-N 1 2 404.389 4.095 20 5 HIBDLO O=[N+]([O-])c1cnc(C(F)(F)F)cc1NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC000480191059 895588940 /nfs/dbraw/zinc/58/89/40/895588940.db2.gz BXJIQKCJMCSIQY-QWRGUYRKSA-N 1 2 404.389 4.095 20 5 HIBDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000481449912 896845781 /nfs/dbraw/zinc/84/57/81/896845781.db2.gz UQTIPGITCQCTBE-ZDUSSCGKSA-N 1 2 400.822 4.056 20 5 HIBDLO COc1cc(C[NH2+][C@@H](C)c2ccc(F)cc2F)c([N+](=O)[O-])cc1OCC(F)F ZINC000505457968 914128493 /nfs/dbraw/zinc/12/84/93/914128493.db2.gz PMMBGXDDKSAPCN-JTQLQIEISA-N 1 2 402.344 4.376 20 5 HIBDLO COc1cc(C[NH2+][C@H](C)c2cccc(F)c2F)c([N+](=O)[O-])cc1OCC(F)F ZINC000505463434 914135053 /nfs/dbraw/zinc/13/50/53/914135053.db2.gz BGZNDQRSYWCBNY-SNVBAGLBSA-N 1 2 402.344 4.376 20 5 HIBDLO CSc1cccc(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1[N+](=O)[O-] ZINC000485517401 900801308 /nfs/dbraw/zinc/80/13/08/900801308.db2.gz SCZAXIMEYMJSKP-RDJZCZTQSA-N 1 2 423.897 4.284 20 5 HIBDLO CSc1cccc(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1[N+](=O)[O-] ZINC000485517401 900801313 /nfs/dbraw/zinc/80/13/13/900801313.db2.gz SCZAXIMEYMJSKP-RDJZCZTQSA-N 1 2 423.897 4.284 20 5 HIBDLO CCS[C@@H](C)c1noc(C[N@H+](C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)n1 ZINC000485966166 901182250 /nfs/dbraw/zinc/18/22/50/901182250.db2.gz OWXLWVNBKDUJKP-ZDUSSCGKSA-N 1 2 417.491 4.121 20 5 HIBDLO CCS[C@@H](C)c1noc(C[N@@H+](C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)n1 ZINC000485966166 901182262 /nfs/dbraw/zinc/18/22/62/901182262.db2.gz OWXLWVNBKDUJKP-ZDUSSCGKSA-N 1 2 417.491 4.121 20 5 HIBDLO CSc1ccc(C(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000485993139 901211910 /nfs/dbraw/zinc/21/19/10/901211910.db2.gz XXZPAAURGYZTTP-GASCZTMLSA-N 1 2 415.515 4.178 20 5 HIBDLO CSc1ccc(C(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000485993139 901211923 /nfs/dbraw/zinc/21/19/23/901211923.db2.gz XXZPAAURGYZTTP-GASCZTMLSA-N 1 2 415.515 4.178 20 5 HIBDLO Cc1ccnc(-c2n[nH]c([C@H](C)[NH2+]Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)n2)c1 ZINC000486810275 901866992 /nfs/dbraw/zinc/86/69/92/901866992.db2.gz QKNOXMWHWJCPHA-AWEZNQCLSA-N 1 2 404.430 4.194 20 5 HIBDLO COc1cc(C[N@H+](C)Cc2ccc(Br)s2)c([N+](=O)[O-])cc1OC ZINC000506004688 914677310 /nfs/dbraw/zinc/67/73/10/914677310.db2.gz GAUHRYIFEOABHJ-UHFFFAOYSA-N 1 2 401.282 4.068 20 5 HIBDLO COc1cc(C[N@@H+](C)Cc2ccc(Br)s2)c([N+](=O)[O-])cc1OC ZINC000506004688 914677335 /nfs/dbraw/zinc/67/73/35/914677335.db2.gz GAUHRYIFEOABHJ-UHFFFAOYSA-N 1 2 401.282 4.068 20 5 HIBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC[C@@H]1CCCc1ccccc1 ZINC000489279825 903303790 /nfs/dbraw/zinc/30/37/90/903303790.db2.gz PQRCQWSOTRPIAY-FQEVSTJZSA-N 1 2 404.470 4.408 20 5 HIBDLO C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000489534879 903444612 /nfs/dbraw/zinc/44/46/12/903444612.db2.gz FENWKTJYXYUIIH-IEBWSBKVSA-N 1 2 419.884 4.227 20 5 HIBDLO C[N@H+]1CC[C@@H](NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000489534879 903444620 /nfs/dbraw/zinc/44/46/20/903444620.db2.gz FENWKTJYXYUIIH-IEBWSBKVSA-N 1 2 419.884 4.227 20 5 HIBDLO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000489955148 903696422 /nfs/dbraw/zinc/69/64/22/903696422.db2.gz IAITUIFJHWKLPO-KRWDZBQOSA-N 1 2 401.488 4.031 20 5 HIBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000490057332 903747812 /nfs/dbraw/zinc/74/78/12/903747812.db2.gz RGDQWLHAAMEVRI-OAHLLOKOSA-N 1 2 414.531 4.057 20 5 HIBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000490057332 903747818 /nfs/dbraw/zinc/74/78/18/903747818.db2.gz RGDQWLHAAMEVRI-OAHLLOKOSA-N 1 2 414.531 4.057 20 5 HIBDLO O=C(C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)N(Cc1ccco1)Cc1ccccc1 ZINC000490412177 903993889 /nfs/dbraw/zinc/99/38/89/903993889.db2.gz DOQRVUNGEROLGG-UHFFFAOYSA-N 1 2 419.481 4.381 20 5 HIBDLO O=C(C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)N(Cc1ccco1)Cc1ccccc1 ZINC000490412177 903993905 /nfs/dbraw/zinc/99/39/05/903993905.db2.gz DOQRVUNGEROLGG-UHFFFAOYSA-N 1 2 419.481 4.381 20 5 HIBDLO CCc1ccc([C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])c2cccc(S(C)(=O)=O)c2)cc1 ZINC000493232795 905058999 /nfs/dbraw/zinc/05/89/99/905058999.db2.gz SMKIJQBMMSBQRI-QHCPKHFHSA-N 1 2 424.522 4.440 20 5 HIBDLO Cc1c(NC(=O)[C@H](C)[N@H+](C)Cc2ccc(Br)c(F)c2)cccc1[N+](=O)[O-] ZINC000494273047 905595559 /nfs/dbraw/zinc/59/55/59/905595559.db2.gz DXHDXOONWCBFCD-LBPRGKRZSA-N 1 2 424.270 4.264 20 5 HIBDLO Cc1c(NC(=O)[C@H](C)[N@@H+](C)Cc2ccc(Br)c(F)c2)cccc1[N+](=O)[O-] ZINC000494273047 905595574 /nfs/dbraw/zinc/59/55/74/905595574.db2.gz DXHDXOONWCBFCD-LBPRGKRZSA-N 1 2 424.270 4.264 20 5 HIBDLO COc1cc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc(OC)c1C(C)C ZINC000496633568 906725934 /nfs/dbraw/zinc/72/59/34/906725934.db2.gz TXRYTUJKZBWHML-UHFFFAOYSA-N 1 2 410.430 4.173 20 5 HIBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000497484936 906967924 /nfs/dbraw/zinc/96/79/24/906967924.db2.gz FTXFQPJAFKIRNG-HKUYNNGSSA-N 1 2 421.469 4.160 20 5 HIBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000497484936 906967941 /nfs/dbraw/zinc/96/79/41/906967941.db2.gz FTXFQPJAFKIRNG-HKUYNNGSSA-N 1 2 421.469 4.160 20 5 HIBDLO C[N@@H+]1CCO[C@@H]([C@@H](Nc2ccc3ncccc3c2[N+](=O)[O-])c2ccc(Cl)cc2)C1 ZINC000497514503 907004214 /nfs/dbraw/zinc/00/42/14/907004214.db2.gz DPRZCPADVJQNNE-UXHICEINSA-N 1 2 412.877 4.280 20 5 HIBDLO C[N@H+]1CCO[C@@H]([C@@H](Nc2ccc3ncccc3c2[N+](=O)[O-])c2ccc(Cl)cc2)C1 ZINC000497514503 907004237 /nfs/dbraw/zinc/00/42/37/907004237.db2.gz DPRZCPADVJQNNE-UXHICEINSA-N 1 2 412.877 4.280 20 5 HIBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(F)(c2ccc(Cl)cc2)CC1 ZINC000500160466 909641529 /nfs/dbraw/zinc/64/15/29/909641529.db2.gz MLJSJPBCCYYEMJ-UHFFFAOYSA-N 1 2 421.856 4.156 20 5 HIBDLO O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000502775284 911800184 /nfs/dbraw/zinc/80/01/84/911800184.db2.gz ADWKCYUAXZCTQV-UHFFFAOYSA-N 1 2 419.363 4.444 20 5 HIBDLO CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000503140075 912100110 /nfs/dbraw/zinc/10/01/10/912100110.db2.gz NZACVYMMWFRIEU-UHFFFAOYSA-N 1 2 415.515 4.181 20 5 HIBDLO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000506341358 914960226 /nfs/dbraw/zinc/96/02/26/914960226.db2.gz KFZYWNKAXOIMEU-OAHLLOKOSA-N 1 2 414.483 4.451 20 5 HIBDLO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000506341358 914960237 /nfs/dbraw/zinc/96/02/37/914960237.db2.gz KFZYWNKAXOIMEU-OAHLLOKOSA-N 1 2 414.483 4.451 20 5 HIBDLO Cc1cc(CN2CC[NH+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)CC2)no1 ZINC000506709222 915387646 /nfs/dbraw/zinc/38/76/46/915387646.db2.gz WSSBDXLZMRMGJU-UHFFFAOYSA-N 1 2 416.865 4.122 20 5 HIBDLO Cn1cc(C[N@@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000507663311 916428040 /nfs/dbraw/zinc/42/80/40/916428040.db2.gz BEWSYXZBYCLIQW-FQEVSTJZSA-N 1 2 412.877 4.222 20 5 HIBDLO Cn1cc(C[N@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000507663311 916428045 /nfs/dbraw/zinc/42/80/45/916428045.db2.gz BEWSYXZBYCLIQW-FQEVSTJZSA-N 1 2 412.877 4.222 20 5 HIBDLO CC[N@H+](CC(=O)Nc1ccccc1OC)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000507669728 916436771 /nfs/dbraw/zinc/43/67/71/916436771.db2.gz QUBKVVJJWRKGIO-UHFFFAOYSA-N 1 2 409.442 4.324 20 5 HIBDLO CC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000507669728 916436780 /nfs/dbraw/zinc/43/67/80/916436780.db2.gz QUBKVVJJWRKGIO-UHFFFAOYSA-N 1 2 409.442 4.324 20 5 HIBDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)CCCNc3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000509214358 917916462 /nfs/dbraw/zinc/91/64/62/917916462.db2.gz ZJBGWCYZRCHCHE-OAHLLOKOSA-N 1 2 417.535 4.114 20 5 HIBDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)CCCNc3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000509214358 917916470 /nfs/dbraw/zinc/91/64/70/917916470.db2.gz ZJBGWCYZRCHCHE-OAHLLOKOSA-N 1 2 417.535 4.114 20 5 HIBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1CCC([C@H](F)c2ccccc2F)CC1 ZINC000511095999 919698518 /nfs/dbraw/zinc/69/85/18/919698518.db2.gz NDMQKZKUSYCWPT-FQEVSTJZSA-N 1 2 403.429 4.404 20 5 HIBDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC000511111189 919723168 /nfs/dbraw/zinc/72/31/68/919723168.db2.gz UIIVNYJOMMLZOK-UHFFFAOYSA-N 1 2 410.455 4.240 20 5 HIBDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC000511111189 919723173 /nfs/dbraw/zinc/72/31/73/919723173.db2.gz UIIVNYJOMMLZOK-UHFFFAOYSA-N 1 2 410.455 4.240 20 5 HIBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC[C@@](F)(c2cccc(Cl)c2)C1 ZINC000512361389 921102990 /nfs/dbraw/zinc/10/29/90/921102990.db2.gz AXVQADPLZIYUDF-FQEVSTJZSA-N 1 2 414.824 4.145 20 5 HIBDLO O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CC[NH2+][C@@H](c2cccc(Cl)c2)C1 ZINC000513997438 922321193 /nfs/dbraw/zinc/32/11/93/922321193.db2.gz RWYUFSQASOKWRA-JOCHJYFZSA-N 1 2 417.896 4.121 20 5 HIBDLO O=C(NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)c1ccc([N+](=O)[O-])s1 ZINC000517513764 924239980 /nfs/dbraw/zinc/23/99/80/924239980.db2.gz JLNPLRIQDWGEBV-UHFFFAOYSA-N 1 2 414.314 4.358 20 5 HIBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCCc2c(Cl)ccc(F)c21 ZINC000517557375 924263796 /nfs/dbraw/zinc/26/37/96/924263796.db2.gz DLFYOVJRGOULTC-UHFFFAOYSA-N 1 2 400.797 4.166 20 5 HIBDLO C[C@@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000517672150 926777335 /nfs/dbraw/zinc/77/73/35/926777335.db2.gz DSFYQNPTMLVOTE-ZDUSSCGKSA-N 1 2 418.375 4.160 20 5 HIBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000521131160 929013412 /nfs/dbraw/zinc/01/34/12/929013412.db2.gz JFUAYTYVLKATDV-INIZCTEOSA-N 1 2 405.857 4.090 20 5 HIBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000521131160 929013425 /nfs/dbraw/zinc/01/34/25/929013425.db2.gz JFUAYTYVLKATDV-INIZCTEOSA-N 1 2 405.857 4.090 20 5 HIBDLO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]Cc3ncccc3F)o2)c(Br)c1 ZINC000527530826 930674295 /nfs/dbraw/zinc/67/42/95/930674295.db2.gz FMUTUFYHLOJJRZ-UHFFFAOYSA-N 1 2 406.211 4.441 20 5 HIBDLO COc1ccc(-c2ccc(C[NH2+][C@@H](C)c3cn(-c4ccccc4)nn3)o2)c([N+](=O)[O-])c1 ZINC000532374651 931413968 /nfs/dbraw/zinc/41/39/68/931413968.db2.gz XERVCEYDCAFCOZ-HNNXBMFYSA-N 1 2 419.441 4.295 20 5 HIBDLO CC(C)([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)NCC1CCCCC1 ZINC000533201628 931807549 /nfs/dbraw/zinc/80/75/49/931807549.db2.gz WMPKRGKJCKLCNY-UHFFFAOYSA-N 1 2 416.547 4.283 20 5 HIBDLO C[N@@H+]1CC[C@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534394174 932419684 /nfs/dbraw/zinc/41/96/84/932419684.db2.gz WWLHDQFDYDAZQI-OALUTQOASA-N 1 2 419.884 4.227 20 5 HIBDLO C[N@H+]1CC[C@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534394174 932419704 /nfs/dbraw/zinc/41/97/04/932419704.db2.gz WWLHDQFDYDAZQI-OALUTQOASA-N 1 2 419.884 4.227 20 5 HIBDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000535974341 933537419 /nfs/dbraw/zinc/53/74/19/933537419.db2.gz KWGPFCLPBWIJCK-OAHLLOKOSA-N 1 2 407.430 4.142 20 5 HIBDLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000538783338 938709571 /nfs/dbraw/zinc/70/95/71/938709571.db2.gz KJDTXVSADYROKO-INIZCTEOSA-N 1 2 410.449 4.268 20 5 HIBDLO C[C@H]([NH2+]Cc1nnc(-c2ccccc2Br)o1)c1cccc([N+](=O)[O-])c1 ZINC000539281899 938833073 /nfs/dbraw/zinc/83/30/73/938833073.db2.gz XAQCTROPKVRDGD-NSHDSACASA-N 1 2 403.236 4.258 20 5 HIBDLO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3ccc(Oc4ccc(F)cc4)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000539901725 938973494 /nfs/dbraw/zinc/97/34/94/938973494.db2.gz QFFLVIMNKDZVND-SFHLNBCPSA-N 1 2 416.449 4.295 20 5 HIBDLO CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3ccc(Oc4ccc(F)cc4)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000539901725 938973495 /nfs/dbraw/zinc/97/34/95/938973495.db2.gz QFFLVIMNKDZVND-SFHLNBCPSA-N 1 2 416.449 4.295 20 5 HIBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000540166513 939099074 /nfs/dbraw/zinc/09/90/74/939099074.db2.gz FOSWFNAJNRSBDP-SNVBAGLBSA-N 1 2 413.787 4.469 20 5 HIBDLO CC[N@@H+]1CC[C@H](NC(=O)c2cccc(C)c2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540224036 939138601 /nfs/dbraw/zinc/13/86/01/939138601.db2.gz NKHKBDVTQHMDEJ-HKUYNNGSSA-N 1 2 405.857 4.261 20 5 HIBDLO CC[N@H+]1CC[C@H](NC(=O)c2cccc(C)c2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540224036 939138607 /nfs/dbraw/zinc/13/86/07/939138607.db2.gz NKHKBDVTQHMDEJ-HKUYNNGSSA-N 1 2 405.857 4.261 20 5 HIBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1nc(C(C)(C)C)cs1 ZINC000542589038 939846742 /nfs/dbraw/zinc/84/67/42/939846742.db2.gz UDADBSVKMUSXIT-NEPJUHHUSA-N 1 2 406.508 4.035 20 5 HIBDLO COc1cc(C[N@@H+]2CCC[C@H]2c2cccc(C)n2)c([N+](=O)[O-])cc1OCC(F)F ZINC000542774737 939860205 /nfs/dbraw/zinc/86/02/05/939860205.db2.gz MQTNEFNRQIIHGH-INIZCTEOSA-N 1 2 407.417 4.288 20 5 HIBDLO COc1cc(C[N@H+]2CCC[C@H]2c2cccc(C)n2)c([N+](=O)[O-])cc1OCC(F)F ZINC000542774737 939860206 /nfs/dbraw/zinc/86/02/06/939860206.db2.gz MQTNEFNRQIIHGH-INIZCTEOSA-N 1 2 407.417 4.288 20 5 HIBDLO O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543097345 939942502 /nfs/dbraw/zinc/94/25/02/939942502.db2.gz WMYNEQZACXDURR-UHFFFAOYSA-N 1 2 410.396 4.143 20 5 HIBDLO CC(C)OC(=O)C[C@@H]([NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccccc1 ZINC000543981622 940283270 /nfs/dbraw/zinc/28/32/70/940283270.db2.gz GEJYDKJIYLNXDW-HXUWFJFHSA-N 1 2 409.442 4.422 20 5 HIBDLO C[N@@H+]1CC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000544624423 940492839 /nfs/dbraw/zinc/49/28/39/940492839.db2.gz RJQBZBOBWSMIKL-IRXDYDNUSA-N 1 2 410.808 4.093 20 5 HIBDLO C[N@H+]1CC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000544624423 940492840 /nfs/dbraw/zinc/49/28/40/940492840.db2.gz RJQBZBOBWSMIKL-IRXDYDNUSA-N 1 2 410.808 4.093 20 5 HIBDLO Cc1nc(C(F)(F)F)c(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)s1 ZINC000546808627 940886338 /nfs/dbraw/zinc/88/63/38/940886338.db2.gz HNXDHIYAHFVOOX-UHFFFAOYSA-N 1 2 401.410 4.422 20 5 HIBDLO C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cccn2)c(F)c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000550287159 941309795 /nfs/dbraw/zinc/30/97/95/941309795.db2.gz FCGHQRVLUNLMJR-UONOGXRCSA-N 1 2 422.420 4.381 20 5 HIBDLO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](Cc2cc(-c3ccccc3)cs2)CC1 ZINC000552141030 941592264 /nfs/dbraw/zinc/59/22/64/941592264.db2.gz JGUVJDCZKZHWGG-UHFFFAOYSA-N 1 2 407.495 4.281 20 5 HIBDLO CN(C(=O)c1cccc(Cn2cc[nH+]c2)c1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC000553384452 941877595 /nfs/dbraw/zinc/87/75/95/941877595.db2.gz STLUUDDTIORDDQ-UHFFFAOYSA-N 1 2 419.466 4.240 20 5 HIBDLO CCOc1ccc(NC(=O)C[N@H+](C)[C@H](CC)c2ccccc2OC)c([N+](=O)[O-])c1 ZINC000553993633 942015044 /nfs/dbraw/zinc/01/50/44/942015044.db2.gz WBMBDEIDELJPKK-GOSISDBHSA-N 1 2 401.463 4.024 20 5 HIBDLO CCOc1ccc(NC(=O)C[N@@H+](C)[C@H](CC)c2ccccc2OC)c([N+](=O)[O-])c1 ZINC000553993633 942015051 /nfs/dbraw/zinc/01/50/51/942015051.db2.gz WBMBDEIDELJPKK-GOSISDBHSA-N 1 2 401.463 4.024 20 5 HIBDLO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000555788048 942733581 /nfs/dbraw/zinc/73/35/81/942733581.db2.gz LAKYEDHNFONVCA-UHFFFAOYSA-N 1 2 419.210 4.243 20 5 HIBDLO CC[N@@H+]1CC[C@H](NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000565926004 945934131 /nfs/dbraw/zinc/93/41/31/945934131.db2.gz MRIMILOHPIZSMK-OACQNMCBSA-N 1 2 421.419 4.067 20 5 HIBDLO CC[N@H+]1CC[C@H](NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000565926004 945934143 /nfs/dbraw/zinc/93/41/43/945934143.db2.gz MRIMILOHPIZSMK-OACQNMCBSA-N 1 2 421.419 4.067 20 5 HIBDLO CCc1ccc([C@H]([NH2+]Cc2ccc(Cn3cncn3)cc2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000569886900 947036174 /nfs/dbraw/zinc/03/61/74/947036174.db2.gz JEPJAIUZGXGERT-HSZRJFAPSA-N 1 2 417.469 4.269 20 5 HIBDLO O=[N+]([O-])c1cccc(C[N@H+](Cc2cn3ccc(Br)cc3n2)C2CC2)c1 ZINC000573531779 948234603 /nfs/dbraw/zinc/23/46/03/948234603.db2.gz COUNIPKYLTUHDZ-UHFFFAOYSA-N 1 2 401.264 4.170 20 5 HIBDLO O=[N+]([O-])c1cccc(C[N@@H+](Cc2cn3ccc(Br)cc3n2)C2CC2)c1 ZINC000573531779 948234617 /nfs/dbraw/zinc/23/46/17/948234617.db2.gz COUNIPKYLTUHDZ-UHFFFAOYSA-N 1 2 401.264 4.170 20 5 HIBDLO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000436174700 861476607 /nfs/dbraw/zinc/47/66/07/861476607.db2.gz WLWIVWWTZIMHSP-UHFFFAOYSA-N 1 2 415.453 4.388 20 5 HIBDLO C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccc(C(F)(F)F)cc1 ZINC000032165146 847990425 /nfs/dbraw/zinc/99/04/25/847990425.db2.gz CPTOCOIHXKSFKK-LBPRGKRZSA-N 1 2 404.348 4.290 20 5 HIBDLO CCCCOc1ccc(OC)cc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032247723 847993985 /nfs/dbraw/zinc/99/39/85/847993985.db2.gz XKWRTSJYSBABQG-UHFFFAOYSA-N 1 2 410.430 4.220 20 5 HIBDLO CN(Cc1cccc(Cl)c1Cl)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032478695 848036871 /nfs/dbraw/zinc/03/68/71/848036871.db2.gz QCYAJJLKHCHXIZ-UHFFFAOYSA-N 1 2 405.241 4.360 20 5 HIBDLO O=[N+]([O-])c1cc(CSc2nnc(C[NH+]3CCCC3)n2-c2ccccc2)cs1 ZINC000047171617 848997451 /nfs/dbraw/zinc/99/74/51/848997451.db2.gz HZZRYDQERCKOIA-UHFFFAOYSA-N 1 2 401.517 4.125 20 5 HIBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC000055102950 849970929 /nfs/dbraw/zinc/97/09/29/849970929.db2.gz WHUJFAGVAHYHEG-CYBMUJFWSA-N 1 2 403.866 4.160 20 5 HIBDLO O=C(N[C@@H](CC(F)(F)F)c1ccccc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000055867402 850186167 /nfs/dbraw/zinc/18/61/67/850186167.db2.gz BCUBRFNVMJNGAV-HNNXBMFYSA-N 1 2 404.348 4.204 20 5 HIBDLO CC(C)C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1nc2ccccc2[nH]1 ZINC000058270611 850790157 /nfs/dbraw/zinc/79/01/57/850790157.db2.gz NHUWFURGRUEOFE-SFHVURJKSA-N 1 2 418.457 4.174 20 5 HIBDLO Cc1c(CSc2nnc(C[NH+]3CCCC3)n2-c2ccccc2)cccc1[N+](=O)[O-] ZINC000059122160 850985722 /nfs/dbraw/zinc/98/57/22/850985722.db2.gz VBURVOPWVLDENO-UHFFFAOYSA-N 1 2 409.515 4.372 20 5 HIBDLO CC(C)Oc1ccc(CC[C@H](C)NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1 ZINC000059780513 851012735 /nfs/dbraw/zinc/01/27/35/851012735.db2.gz HNUWZFXNCMKYDY-KRWDZBQOSA-N 1 2 422.485 4.319 20 5 HIBDLO CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000071819000 852412704 /nfs/dbraw/zinc/41/27/04/852412704.db2.gz HWFMVAAKBJCYGU-UHFFFAOYSA-N 1 2 423.473 4.314 20 5 HIBDLO C[C@H](C1CC1)[N@@H+](Cc1ccccc1)Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O ZINC000140709044 853451138 /nfs/dbraw/zinc/45/11/38/853451138.db2.gz DPZXUTZIDCLOFV-QGZVFWFLSA-N 1 2 404.470 4.077 20 5 HIBDLO C[C@H](C1CC1)[N@H+](Cc1ccccc1)Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O ZINC000140709044 853451156 /nfs/dbraw/zinc/45/11/56/853451156.db2.gz DPZXUTZIDCLOFV-QGZVFWFLSA-N 1 2 404.470 4.077 20 5 HIBDLO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000303184443 854806261 /nfs/dbraw/zinc/80/62/61/854806261.db2.gz UEKDIQAJJDAHOT-UHFFFAOYSA-N 1 2 422.441 4.070 20 5 HIBDLO CCOC(=O)c1csc(C2CC[NH+](Cc3c(Cl)cccc3[N+](=O)[O-])CC2)n1 ZINC000429567153 857753312 /nfs/dbraw/zinc/75/33/12/857753312.db2.gz MHBOHMQQPQNFKC-UHFFFAOYSA-N 1 2 409.895 4.261 20 5 HIBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000434674217 860455103 /nfs/dbraw/zinc/45/51/03/860455103.db2.gz HAOQZLOFCKSTPP-CQSZACIVSA-N 1 2 424.432 4.440 20 5 HIBDLO C[C@H](c1ccco1)[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C1CC1 ZINC000440901364 865997486 /nfs/dbraw/zinc/99/74/86/865997486.db2.gz YRVNTQOVEPBCQS-LLVKDONJSA-N 1 2 408.252 4.114 20 5 HIBDLO C[C@H](c1ccco1)[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C1CC1 ZINC000440901364 865997500 /nfs/dbraw/zinc/99/75/00/865997500.db2.gz YRVNTQOVEPBCQS-LLVKDONJSA-N 1 2 408.252 4.114 20 5 HIBDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])C1 ZINC000442814754 867685108 /nfs/dbraw/zinc/68/51/08/867685108.db2.gz VKYVOOYCQBISQT-MRXNPFEDSA-N 1 2 422.510 4.499 20 5 HIBDLO CC[N@@H+]1CC[C@H](NC(=O)c2c(C)cccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000446303687 870229185 /nfs/dbraw/zinc/22/91/85/870229185.db2.gz WKLDVIPMTJTDOB-LPHOPBHVSA-N 1 2 405.857 4.261 20 5 HIBDLO CC[N@H+]1CC[C@H](NC(=O)c2c(C)cccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000446303687 870229197 /nfs/dbraw/zinc/22/91/97/870229197.db2.gz WKLDVIPMTJTDOB-LPHOPBHVSA-N 1 2 405.857 4.261 20 5 HIBDLO Cc1c(Br)ccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1F ZINC000447641013 871563499 /nfs/dbraw/zinc/56/34/99/871563499.db2.gz XWUJKTKMKJFFKJ-UHFFFAOYSA-N 1 2 419.210 4.243 20 5 HIBDLO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2cccc3[nH+]ccn32)cc1 ZINC000460334758 872940982 /nfs/dbraw/zinc/94/09/82/872940982.db2.gz ZEWNUAQHULMOOE-UHFFFAOYSA-N 1 2 404.382 4.296 20 5 HIBDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000463085386 876116410 /nfs/dbraw/zinc/11/64/10/876116410.db2.gz PZVYFFWXKRZYQD-GFCCVEGCSA-N 1 2 413.421 4.194 20 5 HIBDLO O=C(NCCc1ccccc1[N+](=O)[O-])Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000463680928 876803396 /nfs/dbraw/zinc/80/33/96/876803396.db2.gz BZOWAVAZTVDKAA-UHFFFAOYSA-N 1 2 405.458 4.159 20 5 HIBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCN(C(=O)Cc2cccc(Cl)c2)[C@@H](C)C1 ZINC000464764829 878007060 /nfs/dbraw/zinc/00/70/60/878007060.db2.gz ITSAEMZIDMTSJV-JKSUJKDBSA-N 1 2 401.894 4.085 20 5 HIBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCN(C(=O)Cc2cccc(Cl)c2)[C@@H](C)C1 ZINC000464764829 878007068 /nfs/dbraw/zinc/00/70/68/878007068.db2.gz ITSAEMZIDMTSJV-JKSUJKDBSA-N 1 2 401.894 4.085 20 5 HIBDLO O=[N+]([O-])c1ccc(OC2CC[NH+](Cc3nnc(-c4ccccc4Cl)o3)CC2)cc1 ZINC000464782634 878028347 /nfs/dbraw/zinc/02/83/47/878028347.db2.gz YXFHTHFEYVOISK-UHFFFAOYSA-N 1 2 414.849 4.342 20 5 HIBDLO C[C@H]1CCN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C[C@H]1n1cc[nH+]c1 ZINC000469381369 883515957 /nfs/dbraw/zinc/51/59/57/883515957.db2.gz MMMUBSHRFHVHNG-HTAPYJJXSA-N 1 2 419.485 4.127 20 5 HIBDLO C[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)Cc1cccc(OC(F)(F)F)c1 ZINC000470022480 884240969 /nfs/dbraw/zinc/24/09/69/884240969.db2.gz MKTBCZBTAKCHBT-UHFFFAOYSA-N 1 2 408.336 4.175 20 5 HIBDLO C[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)Cc1cccc(OC(F)(F)F)c1 ZINC000470022480 884240986 /nfs/dbraw/zinc/24/09/86/884240986.db2.gz MKTBCZBTAKCHBT-UHFFFAOYSA-N 1 2 408.336 4.175 20 5 HIBDLO Cc1ccc([C@@H]([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccn2)cc1 ZINC000471077168 885602157 /nfs/dbraw/zinc/60/21/57/885602157.db2.gz ZALIGDSROCXEQZ-OAQYLSRUSA-N 1 2 410.861 4.269 20 5 HIBDLO Cc1[nH]c2ccccc2c1C1=CC[N@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])CC1 ZINC000471161085 885715383 /nfs/dbraw/zinc/71/53/83/885715383.db2.gz PSMCWXHUGSVTKJ-UHFFFAOYSA-N 1 2 404.470 4.421 20 5 HIBDLO Cc1[nH]c2ccccc2c1C1=CC[N@@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])CC1 ZINC000471161085 885715391 /nfs/dbraw/zinc/71/53/91/885715391.db2.gz PSMCWXHUGSVTKJ-UHFFFAOYSA-N 1 2 404.470 4.421 20 5 HIBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000471937683 886736159 /nfs/dbraw/zinc/73/61/59/886736159.db2.gz UILBIXKUWCRZBK-APWZRJJASA-N 1 2 404.417 4.057 20 5 HIBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000471937683 886736165 /nfs/dbraw/zinc/73/61/65/886736165.db2.gz UILBIXKUWCRZBK-APWZRJJASA-N 1 2 404.417 4.057 20 5 HIBDLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000475220967 890089873 /nfs/dbraw/zinc/08/98/73/890089873.db2.gz UZXRCJHOQSWLAI-UHFFFAOYSA-N 1 2 405.336 4.121 20 5 HIBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000475565365 890494180 /nfs/dbraw/zinc/49/41/80/890494180.db2.gz DQOIWZWPVSAWEK-APWZRJJASA-N 1 2 404.417 4.057 20 5 HIBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000475565365 890494186 /nfs/dbraw/zinc/49/41/86/890494186.db2.gz DQOIWZWPVSAWEK-APWZRJJASA-N 1 2 404.417 4.057 20 5 HIBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000475641221 890584230 /nfs/dbraw/zinc/58/42/30/890584230.db2.gz SZNBNWHOAABPKC-TZIWHRDSSA-N 1 2 405.458 4.458 20 5 HIBDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)c(C)c1 ZINC000476125385 891047273 /nfs/dbraw/zinc/04/72/73/891047273.db2.gz ADVSJRQPVCIAND-LJQANCHMSA-N 1 2 403.442 4.061 20 5 HIBDLO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](C)c1nc(C2CCCCC2)no1 ZINC000483655468 899313836 /nfs/dbraw/zinc/31/38/36/899313836.db2.gz RBYFQTBFZDKQJV-ZIAGYGMSSA-N 1 2 401.467 4.093 20 5 HIBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+](CCO)Cc1ccc(Br)s1 ZINC000485129585 900433183 /nfs/dbraw/zinc/43/31/83/900433183.db2.gz FKQBIYURFHWMPF-UHFFFAOYSA-N 1 2 405.701 4.067 20 5 HIBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+](CCO)Cc1ccc(Br)s1 ZINC000485129585 900433190 /nfs/dbraw/zinc/43/31/90/900433190.db2.gz FKQBIYURFHWMPF-UHFFFAOYSA-N 1 2 405.701 4.067 20 5 HIBDLO CSc1cccc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1[N+](=O)[O-] ZINC000485517399 900801331 /nfs/dbraw/zinc/80/13/31/900801331.db2.gz SCZAXIMEYMJSKP-NVXWUHKLSA-N 1 2 423.897 4.284 20 5 HIBDLO CSc1cccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1[N+](=O)[O-] ZINC000485517399 900801334 /nfs/dbraw/zinc/80/13/34/900801334.db2.gz SCZAXIMEYMJSKP-NVXWUHKLSA-N 1 2 423.897 4.284 20 5 HIBDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000485883887 901119191 /nfs/dbraw/zinc/11/91/91/901119191.db2.gz QDEMSVYPORPTMV-CQSZACIVSA-N 1 2 402.520 4.200 20 5 HIBDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000485883887 901119212 /nfs/dbraw/zinc/11/92/12/901119212.db2.gz QDEMSVYPORPTMV-CQSZACIVSA-N 1 2 402.520 4.200 20 5 HIBDLO Cc1ccc([C@H](C)NC(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)cc1[N+](=O)[O-] ZINC000487722306 902316812 /nfs/dbraw/zinc/31/68/12/902316812.db2.gz QUHNXSXJUFAEFW-ZFWWWQNUSA-N 1 2 417.535 4.474 20 5 HIBDLO Cc1ccc([C@H](C)NC(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)cc1[N+](=O)[O-] ZINC000487722306 902316830 /nfs/dbraw/zinc/31/68/30/902316830.db2.gz QUHNXSXJUFAEFW-ZFWWWQNUSA-N 1 2 417.535 4.474 20 5 HIBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000490057297 903747989 /nfs/dbraw/zinc/74/79/89/903747989.db2.gz QUOBXXCASDHHGE-OAHLLOKOSA-N 1 2 414.531 4.057 20 5 HIBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000490057297 903748002 /nfs/dbraw/zinc/74/80/02/903748002.db2.gz QUOBXXCASDHHGE-OAHLLOKOSA-N 1 2 414.531 4.057 20 5 HIBDLO CCOc1cc(C[NH+]2CCC(C(=O)c3cc(F)ccc3F)CC2)ccc1[N+](=O)[O-] ZINC000492461277 904852822 /nfs/dbraw/zinc/85/28/22/904852822.db2.gz KDRWBUXCUUKZEB-UHFFFAOYSA-N 1 2 404.413 4.367 20 5 HIBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000494014313 905353779 /nfs/dbraw/zinc/35/37/79/905353779.db2.gz CLMNGOVKPMRLML-FPOVZHCZSA-N 1 2 405.458 4.458 20 5 HIBDLO C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)Cc1ccc(OC(F)(F)F)cc1 ZINC000495385784 906419455 /nfs/dbraw/zinc/41/94/55/906419455.db2.gz OYXHRMRMYAOZCA-UHFFFAOYSA-N 1 2 417.771 4.217 20 5 HIBDLO C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)Cc1ccc(OC(F)(F)F)cc1 ZINC000495385784 906419464 /nfs/dbraw/zinc/41/94/64/906419464.db2.gz OYXHRMRMYAOZCA-UHFFFAOYSA-N 1 2 417.771 4.217 20 5 HIBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCCc2cc(C(F)(F)F)ccc21 ZINC000498532535 908000855 /nfs/dbraw/zinc/00/08/55/908000855.db2.gz SKRINOFYGIFIIN-UHFFFAOYSA-N 1 2 416.359 4.392 20 5 HIBDLO Cc1cccc([C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c2ccccn2)c1 ZINC000498611973 908058715 /nfs/dbraw/zinc/05/87/15/908058715.db2.gz DJDVIMUAMZECMZ-JOCHJYFZSA-N 1 2 413.437 4.003 20 5 HIBDLO O=C(c1ccsc1)N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000500739274 910050702 /nfs/dbraw/zinc/05/07/02/910050702.db2.gz HJFAVIBFMYHYNN-UHFFFAOYSA-N 1 2 413.524 4.343 20 5 HIBDLO CC(C)[N@@H+]1CC[C@@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000507361663 916116002 /nfs/dbraw/zinc/11/60/02/916116002.db2.gz MTPQICOQXLINAB-MOPGFXCFSA-N 1 2 421.856 4.047 20 5 HIBDLO CC(C)[N@H+]1CC[C@@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000507361663 916116022 /nfs/dbraw/zinc/11/60/22/916116022.db2.gz MTPQICOQXLINAB-MOPGFXCFSA-N 1 2 421.856 4.047 20 5 HIBDLO COc1ccc(S(=O)(=O)Nc2ccc([NH+]3CCCCCC3)cc2C)cc1[N+](=O)[O-] ZINC000508145039 916964390 /nfs/dbraw/zinc/96/43/90/916964390.db2.gz XYLNHRZJCPEIRA-UHFFFAOYSA-N 1 2 419.503 4.093 20 5 HIBDLO O=C(N[C@H](CC(F)(F)F)c1ccc(F)cc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000509266633 917955850 /nfs/dbraw/zinc/95/58/50/917955850.db2.gz ZEDATBMRDAJQNH-OAHLLOKOSA-N 1 2 422.338 4.343 20 5 HIBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(C(=O)c2cc(F)ccc2F)CC1 ZINC000510506839 918954586 /nfs/dbraw/zinc/95/45/86/918954586.db2.gz BOGUHAFOAWGLTA-UHFFFAOYSA-N 1 2 404.413 4.367 20 5 HIBDLO Cc1c(Br)cc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)cc1[N+](=O)[O-] ZINC000510597180 919039110 /nfs/dbraw/zinc/03/91/10/919039110.db2.gz BSAWZGQDHXTDLD-UHFFFAOYSA-N 1 2 419.210 4.243 20 5 HIBDLO C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511072977 919671864 /nfs/dbraw/zinc/67/18/64/919671864.db2.gz NGVNEEKSKKRYGI-CQSZACIVSA-N 1 2 400.866 4.458 20 5 HIBDLO C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511072977 919671873 /nfs/dbraw/zinc/67/18/73/919671873.db2.gz NGVNEEKSKKRYGI-CQSZACIVSA-N 1 2 400.866 4.458 20 5 HIBDLO Cn1ccnc1[C@H]([NH2+]C[C@@H](Cc1ccccc1)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000515020904 922881155 /nfs/dbraw/zinc/88/11/55/922881155.db2.gz SHNAUUYLCKIGQR-IEBWSBKVSA-N 1 2 418.419 4.429 20 5 HIBDLO C[C@H](C(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2)c1cccc([N+](=O)[O-])c1 ZINC000562393891 945068479 /nfs/dbraw/zinc/06/84/79/945068479.db2.gz CDNQWRASUGLUEL-HNNXBMFYSA-N 1 2 422.510 4.352 20 5 HIBDLO C[C@H](C(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2)c1cccc([N+](=O)[O-])c1 ZINC000562393891 945068494 /nfs/dbraw/zinc/06/84/94/945068494.db2.gz CDNQWRASUGLUEL-HNNXBMFYSA-N 1 2 422.510 4.352 20 5 HIBDLO COc1ccc(C[N@@H+]2C[C@]3(CCCO3)[C@H]2C2CC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000521083841 928982436 /nfs/dbraw/zinc/98/24/36/928982436.db2.gz YIHMVPPEHOAXRA-DNQXCXABSA-N 1 2 424.497 4.326 20 5 HIBDLO COc1ccc(C[N@H+]2C[C@]3(CCCO3)[C@H]2C2CC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000521083841 928982449 /nfs/dbraw/zinc/98/24/49/928982449.db2.gz YIHMVPPEHOAXRA-DNQXCXABSA-N 1 2 424.497 4.326 20 5 HIBDLO COc1ccc(-c2ccc(C[NH2+][C@H](C)c3cn(-c4ccccc4)nn3)o2)c([N+](=O)[O-])c1 ZINC000532374653 931415054 /nfs/dbraw/zinc/41/50/54/931415054.db2.gz XERVCEYDCAFCOZ-OAHLLOKOSA-N 1 2 419.441 4.295 20 5 HIBDLO COc1ccccc1CC1CC[NH+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000532520722 931472443 /nfs/dbraw/zinc/47/24/43/931472443.db2.gz LASXKXHNNXRSBJ-UHFFFAOYSA-N 1 2 417.893 4.150 20 5 HIBDLO NC(=O)c1ccc(C[N@@H+]2CCCC[C@H]2c2ccccc2C(F)(F)F)c([N+](=O)[O-])c1 ZINC000532693747 931588912 /nfs/dbraw/zinc/58/89/12/931588912.db2.gz XPSVAAMEPFHPDZ-KRWDZBQOSA-N 1 2 407.392 4.440 20 5 HIBDLO NC(=O)c1ccc(C[N@H+]2CCCC[C@H]2c2ccccc2C(F)(F)F)c([N+](=O)[O-])c1 ZINC000532693747 931588926 /nfs/dbraw/zinc/58/89/26/931588926.db2.gz XPSVAAMEPFHPDZ-KRWDZBQOSA-N 1 2 407.392 4.440 20 5 HIBDLO CN(C(=O)C[N@H+](Cc1ccccc1C(F)(F)F)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000533240405 931816443 /nfs/dbraw/zinc/81/64/43/931816443.db2.gz CIUKUVPFRPAUMU-UHFFFAOYSA-N 1 2 407.392 4.241 20 5 HIBDLO CN(C(=O)C[N@@H+](Cc1ccccc1C(F)(F)F)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000533240405 931816445 /nfs/dbraw/zinc/81/64/45/931816445.db2.gz CIUKUVPFRPAUMU-UHFFFAOYSA-N 1 2 407.392 4.241 20 5 HIBDLO O=[N+]([O-])c1cccc(-c2cnc(CCN3CC[NH+](C/C=C\c4ccccc4)CC3)o2)c1 ZINC000533422178 931863340 /nfs/dbraw/zinc/86/33/40/931863340.db2.gz IQYKNQVLZVRRMW-YVMONPNESA-N 1 2 418.497 4.123 20 5 HIBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(Oc2ccccc2Cl)CC1 ZINC000533606626 931919391 /nfs/dbraw/zinc/91/93/91/931919391.db2.gz RHDYVPGQADEQTC-CQSZACIVSA-N 1 2 403.866 4.119 20 5 HIBDLO C[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000533682687 931968249 /nfs/dbraw/zinc/96/82/49/931968249.db2.gz UIOSHXGUDOFUAJ-IRXDYDNUSA-N 1 2 412.248 4.216 20 5 HIBDLO C[N@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000533682687 931968255 /nfs/dbraw/zinc/96/82/55/931968255.db2.gz UIOSHXGUDOFUAJ-IRXDYDNUSA-N 1 2 412.248 4.216 20 5 HIBDLO CCCOc1ccc([C@@H](C)[NH2+]Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1OC ZINC000538152808 938524447 /nfs/dbraw/zinc/52/44/47/938524447.db2.gz JUXHXYBNOCVOLN-CQSZACIVSA-N 1 2 412.446 4.293 20 5 HIBDLO C[C@H]([NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1ccc(OCC(F)(F)F)cc1 ZINC000538163174 938531120 /nfs/dbraw/zinc/53/11/20/938531120.db2.gz RPQQKLCPRLPUCF-LBPRGKRZSA-N 1 2 422.363 4.437 20 5 HIBDLO COCCSc1ccc([C@H](C)[NH2+]Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1 ZINC000538206413 938554874 /nfs/dbraw/zinc/55/48/74/938554874.db2.gz NOXMSBKUAHEHOW-AWEZNQCLSA-N 1 2 414.487 4.234 20 5 HIBDLO Cc1ccc([C@@H](C)[NH2+]Cc2nnc(-c3ccc(Br)o3)o2)cc1[N+](=O)[O-] ZINC000538276084 938581122 /nfs/dbraw/zinc/58/11/22/938581122.db2.gz DOEVGGUBVFAQQV-SNVBAGLBSA-N 1 2 407.224 4.160 20 5 HIBDLO CC[N@@H+]1CC[C@H](NC(=O)c2ccc(F)cc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539124471 938806629 /nfs/dbraw/zinc/80/66/29/938806629.db2.gz FKMKPWYROXVEOG-WMZOPIPTSA-N 1 2 409.820 4.092 20 5 HIBDLO CC[N@H+]1CC[C@H](NC(=O)c2ccc(F)cc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539124471 938806630 /nfs/dbraw/zinc/80/66/30/938806630.db2.gz FKMKPWYROXVEOG-WMZOPIPTSA-N 1 2 409.820 4.092 20 5 HIBDLO C[C@@H]([NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1ccc(Br)cc1 ZINC000539247449 938825250 /nfs/dbraw/zinc/82/52/50/938825250.db2.gz YLHZWBMWPMLXNF-LLVKDONJSA-N 1 2 403.236 4.258 20 5 HIBDLO C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)Cc1ccc(S(C)(=O)=O)cc1 ZINC000539819618 938943224 /nfs/dbraw/zinc/94/32/24/938943224.db2.gz NGPBDAIQZMYJIF-UHFFFAOYSA-N 1 2 416.524 4.359 20 5 HIBDLO C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)Cc1ccc(S(C)(=O)=O)cc1 ZINC000539819618 938943230 /nfs/dbraw/zinc/94/32/30/938943230.db2.gz NGPBDAIQZMYJIF-UHFFFAOYSA-N 1 2 416.524 4.359 20 5 HIBDLO CCc1nc([C@@H](C)[NH2+]CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cs1 ZINC000541645174 939585302 /nfs/dbraw/zinc/58/53/02/939585302.db2.gz DXOMHTGRGDVUAG-LLVKDONJSA-N 1 2 417.516 4.027 20 5 HIBDLO C[C@@H](C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)c1ccc([N+](=O)[O-])cc1F ZINC000542526469 939837290 /nfs/dbraw/zinc/83/72/90/939837290.db2.gz AXPXOTDSBUVUHL-CQSZACIVSA-N 1 2 406.417 4.391 20 5 HIBDLO CC[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1nc(C(F)(F)F)cs1 ZINC000543497922 940085638 /nfs/dbraw/zinc/08/56/38/940085638.db2.gz WMWZPKYQDQZGSR-SNVBAGLBSA-N 1 2 422.816 4.403 20 5 HIBDLO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)N[C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)c2C1 ZINC000544813487 940516583 /nfs/dbraw/zinc/51/65/83/940516583.db2.gz VMXCFWMTDJRDDS-INIZCTEOSA-N 1 2 418.497 4.320 20 5 HIBDLO CC[N@H+]1CCc2nc3ccccc3c(C(=O)N[C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)c2C1 ZINC000544813487 940516585 /nfs/dbraw/zinc/51/65/85/940516585.db2.gz VMXCFWMTDJRDDS-INIZCTEOSA-N 1 2 418.497 4.320 20 5 HIBDLO COc1cc(C[NH2+][C@H](C)c2nnc(C)s2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000546059059 940685041 /nfs/dbraw/zinc/68/50/41/940685041.db2.gz MQSVJDFTYVCYJZ-CYBMUJFWSA-N 1 2 414.487 4.193 20 5 HIBDLO O=[N+]([O-])c1cc(-c2nc(-c3cccc(Cn4cc[nH+]c4)c3)no2)ccc1N1CCCC1 ZINC000546982497 940937033 /nfs/dbraw/zinc/93/70/33/940937033.db2.gz HSHPZEUMTMRVRO-UHFFFAOYSA-N 1 2 416.441 4.157 20 5 HIBDLO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000550253451 941304106 /nfs/dbraw/zinc/30/41/06/941304106.db2.gz MPXIAVOLCKQSER-UHFFFAOYSA-N 1 2 401.220 4.104 20 5 HIBDLO Cc1cc(C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)cc([N+](=O)[O-])c1 ZINC000552677679 941735331 /nfs/dbraw/zinc/73/53/31/941735331.db2.gz MWZKTUHIKPQKFS-SFHVURJKSA-N 1 2 405.857 4.263 20 5 HIBDLO CCCCCC(=O)NC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000555334615 942480565 /nfs/dbraw/zinc/48/05/65/942480565.db2.gz ZBSWZOFWIRYCMD-UHFFFAOYSA-N 1 2 401.429 4.275 20 5 HIBDLO COc1ccccc1[C@H](C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)OC(C)C ZINC000556890709 942953208 /nfs/dbraw/zinc/95/32/08/942953208.db2.gz QQHUPLBMJZQZSL-FCHUYYIVSA-N 1 2 424.501 4.182 20 5 HIBDLO CCOC(=O)c1sc([C@@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)nc1C ZINC000559151295 943854400 /nfs/dbraw/zinc/85/44/00/943854400.db2.gz GSDSSNAGDJZLMY-SNVBAGLBSA-N 1 2 417.409 4.406 20 5 HIBDLO O=C(Nc1ccccc1OCCn1cc[nH+]c1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000436139661 861434044 /nfs/dbraw/zinc/43/40/44/861434044.db2.gz FAVNKEWXVGPFQC-UHFFFAOYSA-N 1 2 424.460 4.209 20 5 HIBDLO Cc1cc(Br)ccc1NC(=O)C[N@@H+](C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000007680520 845387745 /nfs/dbraw/zinc/38/77/45/845387745.db2.gz HMMRIDVNEHMLIM-ZDUSSCGKSA-N 1 2 406.280 4.297 20 5 HIBDLO Cc1cc(Br)ccc1NC(=O)C[N@H+](C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000007680520 845387755 /nfs/dbraw/zinc/38/77/55/845387755.db2.gz HMMRIDVNEHMLIM-ZDUSSCGKSA-N 1 2 406.280 4.297 20 5 HIBDLO CSc1ccc(C(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)cc1[N+](=O)[O-] ZINC000010975307 845735273 /nfs/dbraw/zinc/73/52/73/845735273.db2.gz LXODATUPEBQZPN-UHFFFAOYSA-N 1 2 419.934 4.318 20 5 HIBDLO CSc1ccc(C(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)cc1[N+](=O)[O-] ZINC000010975307 845735276 /nfs/dbraw/zinc/73/52/76/845735276.db2.gz LXODATUPEBQZPN-UHFFFAOYSA-N 1 2 419.934 4.318 20 5 HIBDLO O=C(c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)N1CC[NH+](Cc2cccs2)CC1 ZINC000023736481 846743018 /nfs/dbraw/zinc/74/30/18/846743018.db2.gz BFYUOXJVTWFSSD-UHFFFAOYSA-N 1 2 422.510 4.358 20 5 HIBDLO CN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1nc2cccc(Cl)c2s1 ZINC000436392514 861735620 /nfs/dbraw/zinc/73/56/20/861735620.db2.gz SZJKFGIIPAFVFG-UHFFFAOYSA-N 1 2 413.846 4.320 20 5 HIBDLO CSc1ccc([N+](=O)[O-])c(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)c1 ZINC000028677998 847446281 /nfs/dbraw/zinc/44/62/81/847446281.db2.gz DTKHXMSMVYUMKM-LBPRGKRZSA-N 1 2 406.533 4.257 20 5 HIBDLO CSc1ccc([N+](=O)[O-])c(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)c1 ZINC000028677998 847446289 /nfs/dbraw/zinc/44/62/89/847446289.db2.gz DTKHXMSMVYUMKM-LBPRGKRZSA-N 1 2 406.533 4.257 20 5 HIBDLO O=C(Nc1ncc(Cc2cccc(F)c2)s1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032652389 848060502 /nfs/dbraw/zinc/06/05/02/848060502.db2.gz HJFSCWUXEGYYHK-UHFFFAOYSA-N 1 2 423.429 4.219 20 5 HIBDLO COc1ccc2cc(CN(C)C(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)ccc2c1 ZINC000033220780 848128091 /nfs/dbraw/zinc/12/80/91/848128091.db2.gz LQPXDOWPURIWGO-UHFFFAOYSA-N 1 2 416.437 4.215 20 5 HIBDLO C[C@H](NC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000047570069 849074062 /nfs/dbraw/zinc/07/40/62/849074062.db2.gz XPQFAIPEDDFIMQ-ZACQAIPSSA-N 1 2 412.490 4.087 20 5 HIBDLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000064918319 852021689 /nfs/dbraw/zinc/02/16/89/852021689.db2.gz YFMFSEAADIAFQK-UHFFFAOYSA-N 1 2 423.498 4.034 20 5 HIBDLO Cc1cc([N+](=O)[O-])cnc1N1CC[NH+](C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000097543696 852624351 /nfs/dbraw/zinc/62/43/51/852624351.db2.gz CMALXBNUVUDSMC-UHFFFAOYSA-N 1 2 424.451 4.488 20 5 HIBDLO O=C(NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)c1cc(F)ccc1[N+](=O)[O-] ZINC000116103636 853283605 /nfs/dbraw/zinc/28/36/05/853283605.db2.gz MXJSNDIXQDCHMQ-QGZVFWFLSA-N 1 2 409.820 4.093 20 5 HIBDLO Cc1ccc([C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000237647838 854067932 /nfs/dbraw/zinc/06/79/32/854067932.db2.gz ZVYFCBUWQPIOBY-FQEVSTJZSA-N 1 2 416.524 4.247 20 5 HIBDLO Cc1cc(Sc2nnc([C@@H](C)[NH+](C)C)n2-c2ccc(Cl)cc2)ncc1[N+](=O)[O-] ZINC000301454808 854398651 /nfs/dbraw/zinc/39/86/51/854398651.db2.gz VVHAQQGEOHKGEP-GFCCVEGCSA-N 1 2 418.910 4.306 20 5 HIBDLO C[N@@H+]1CCO[C@@H]([C@H](Nc2ccc([N+](=O)[O-])c3cccnc23)c2ccc(Cl)cc2)C1 ZINC000301976504 854508112 /nfs/dbraw/zinc/50/81/12/854508112.db2.gz MMMHMJDCECDNSK-WOJBJXKFSA-N 1 2 412.877 4.280 20 5 HIBDLO C[N@H+]1CCO[C@@H]([C@H](Nc2ccc([N+](=O)[O-])c3cccnc23)c2ccc(Cl)cc2)C1 ZINC000301976504 854508115 /nfs/dbraw/zinc/50/81/15/854508115.db2.gz MMMHMJDCECDNSK-WOJBJXKFSA-N 1 2 412.877 4.280 20 5 HIBDLO O=[N+]([O-])c1cnc(NC[C@@H](c2ccc(Cl)cc2)[N@@H+]2CCc3sccc3C2)nc1 ZINC000302143262 854536390 /nfs/dbraw/zinc/53/63/90/854536390.db2.gz GCLYRMFBMVXOAH-KRWDZBQOSA-N 1 2 415.906 4.311 20 5 HIBDLO O=[N+]([O-])c1cnc(NC[C@@H](c2ccc(Cl)cc2)[N@H+]2CCc3sccc3C2)nc1 ZINC000302143262 854536396 /nfs/dbraw/zinc/53/63/96/854536396.db2.gz GCLYRMFBMVXOAH-KRWDZBQOSA-N 1 2 415.906 4.311 20 5 HIBDLO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1Nc1ccc2c(c1)[nH+]cn2-c1ccccc1 ZINC000302682316 854603075 /nfs/dbraw/zinc/60/30/75/854603075.db2.gz XHCAEHVTJGKPNI-UHFFFAOYSA-N 1 2 408.439 4.081 20 5 HIBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(Cc2ccc(Br)s2)CC1 ZINC000302745845 854619711 /nfs/dbraw/zinc/61/97/11/854619711.db2.gz FWTLZZYKDSYMQZ-CYBMUJFWSA-N 1 2 410.337 4.298 20 5 HIBDLO O=C(C[N@@H+]1CCCC[C@@H]1c1cc2ccccc2[nH]1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000303418563 854921014 /nfs/dbraw/zinc/92/10/14/854921014.db2.gz XPONBKKIHKESQH-OAQYLSRUSA-N 1 2 404.470 4.192 20 5 HIBDLO O=C(C[N@H+]1CCCC[C@@H]1c1cc2ccccc2[nH]1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000303418563 854921023 /nfs/dbraw/zinc/92/10/23/854921023.db2.gz XPONBKKIHKESQH-OAQYLSRUSA-N 1 2 404.470 4.192 20 5 HIBDLO O=[N+]([O-])c1ccn(C2CCN(c3cc[nH+]c4c(Br)ccc(F)c34)CC2)n1 ZINC000409661318 855589641 /nfs/dbraw/zinc/58/96/41/855589641.db2.gz BRGCBFVHXFCEQN-UHFFFAOYSA-N 1 2 420.242 4.083 20 5 HIBDLO CC(C)(C)c1ccc(C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1[N+](=O)[O-] ZINC000410279619 855898406 /nfs/dbraw/zinc/89/84/06/855898406.db2.gz QMSMXZIKMINTNM-KRWDZBQOSA-N 1 2 410.518 4.445 20 5 HIBDLO CCOc1ccc(CN(CCCn2cc[nH+]c2)c2ncc([N+](=O)[O-])cc2Cl)cc1 ZINC000432053321 858952353 /nfs/dbraw/zinc/95/23/53/858952353.db2.gz OTTINHGNFISUIG-UHFFFAOYSA-N 1 2 415.881 4.335 20 5 HIBDLO Cc1cc(NC(=O)N(CCn2cc[nH+]c2)Cc2cccc(Cl)c2)ccc1[N+](=O)[O-] ZINC000432354379 859117042 /nfs/dbraw/zinc/11/70/42/859117042.db2.gz WOKPAWNCNDNCII-UHFFFAOYSA-N 1 2 413.865 4.487 20 5 HIBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC2(CCCC2)c2cccc(F)c21 ZINC000432568911 859230865 /nfs/dbraw/zinc/23/08/65/859230865.db2.gz VXDXYNWXPMOQDL-UHFFFAOYSA-N 1 2 406.417 4.392 20 5 HIBDLO C[C@@H]1CC[S@](=O)CC[N@@H+]1Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000433034953 859492074 /nfs/dbraw/zinc/49/20/74/859492074.db2.gz VAVGTCFYDOEDNE-ASHKIFAZSA-N 1 2 408.907 4.383 20 5 HIBDLO C[C@@H]1CC[S@](=O)CC[N@H+]1Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000433034953 859492076 /nfs/dbraw/zinc/49/20/76/859492076.db2.gz VAVGTCFYDOEDNE-ASHKIFAZSA-N 1 2 408.907 4.383 20 5 HIBDLO O=[N+]([O-])c1ccc(-c2nc(CN3CCC(c4[nH+]cc5n4CCCC5)CC3)co2)cc1 ZINC000434677563 860456182 /nfs/dbraw/zinc/45/61/82/860456182.db2.gz YSPDCJFEQLZIJN-UHFFFAOYSA-N 1 2 407.474 4.162 20 5 HIBDLO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCCN(Cc4ccc(Cl)cc4)CC3)nc2c1 ZINC000434832711 860512250 /nfs/dbraw/zinc/51/22/50/860512250.db2.gz SOKGBEXRBITXPV-UHFFFAOYSA-N 1 2 400.866 4.097 20 5 HIBDLO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCCN(Cc4ccc(Cl)cc4)CC3)nc2c1 ZINC000434832711 860512258 /nfs/dbraw/zinc/51/22/58/860512258.db2.gz SOKGBEXRBITXPV-UHFFFAOYSA-N 1 2 400.866 4.097 20 5 HIBDLO Cc1ccc(Nc2nc(C[N@@H+]3CC[C@@H](Nc4ccc([N+](=O)[O-])cn4)C3)cs2)cc1 ZINC000440494708 865794700 /nfs/dbraw/zinc/79/47/00/865794700.db2.gz NCMTVONEBNOQDQ-MRXNPFEDSA-N 1 2 410.503 4.185 20 5 HIBDLO Cc1ccc(Nc2nc(C[N@H+]3CC[C@@H](Nc4ccc([N+](=O)[O-])cn4)C3)cs2)cc1 ZINC000440494708 865794718 /nfs/dbraw/zinc/79/47/18/865794718.db2.gz NCMTVONEBNOQDQ-MRXNPFEDSA-N 1 2 410.503 4.185 20 5 HIBDLO O=C(Nc1cc(F)cc(F)c1Br)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000468277165 882197501 /nfs/dbraw/zinc/19/75/01/882197501.db2.gz MIPGMZBODUITQA-UHFFFAOYSA-N 1 2 423.173 4.074 20 5 HIBDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)C1 ZINC000444659956 868937321 /nfs/dbraw/zinc/93/73/21/868937321.db2.gz IQFMXDQZDVYSFR-MRXNPFEDSA-N 1 2 422.510 4.499 20 5 HIBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC[C@H](COc4ccccc4Cl)C3)nc2c1 ZINC000444660891 868939250 /nfs/dbraw/zinc/93/92/50/868939250.db2.gz SWPUEWSTRSUCAC-AWEZNQCLSA-N 1 2 400.866 4.416 20 5 HIBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCC[C@H](COc4ccccc4Cl)C3)nc2c1 ZINC000444660891 868939266 /nfs/dbraw/zinc/93/92/66/868939266.db2.gz SWPUEWSTRSUCAC-AWEZNQCLSA-N 1 2 400.866 4.416 20 5 HIBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000447672189 871603240 /nfs/dbraw/zinc/60/32/40/871603240.db2.gz SPWNQJNOZMRNSY-UHFFFAOYSA-N 1 2 414.531 4.259 20 5 HIBDLO O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1NCCCCNc1cccc[nH+]1 ZINC000447674765 871605550 /nfs/dbraw/zinc/60/55/50/871605550.db2.gz GQSCKGQKDFVXLE-UHFFFAOYSA-N 1 2 405.327 4.343 20 5 HIBDLO O=C(c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1)N1CCn2c[nH+]cc2C1 ZINC000461186381 874178362 /nfs/dbraw/zinc/17/83/62/874178362.db2.gz AQQQZZBVPPSISJ-UHFFFAOYSA-N 1 2 414.874 4.252 20 5 HIBDLO COc1cc(C[NH+]2CC(c3ccccc3F)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000463041287 876066572 /nfs/dbraw/zinc/06/65/72/876066572.db2.gz XVXDMURSMFMYMI-UHFFFAOYSA-N 1 2 414.355 4.283 20 5 HIBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCN(C(=O)Cc2cccc(Cl)c2)[C@@H](C)C1 ZINC000464764827 878005755 /nfs/dbraw/zinc/00/57/55/878005755.db2.gz ITSAEMZIDMTSJV-HOTGVXAUSA-N 1 2 401.894 4.085 20 5 HIBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCN(C(=O)Cc2cccc(Cl)c2)[C@@H](C)C1 ZINC000464764827 878005778 /nfs/dbraw/zinc/00/57/78/878005778.db2.gz ITSAEMZIDMTSJV-HOTGVXAUSA-N 1 2 401.894 4.085 20 5 HIBDLO Cc1c(Cl)cccc1NC(=O)[C@H](C)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464771933 878014939 /nfs/dbraw/zinc/01/49/39/878014939.db2.gz DGEDLJSJYVRAHL-HNNXBMFYSA-N 1 2 417.893 4.427 20 5 HIBDLO Cc1cc(Cl)ccc1NC(=O)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464782617 878026737 /nfs/dbraw/zinc/02/67/37/878026737.db2.gz YSYYJPFFWUICSS-UHFFFAOYSA-N 1 2 403.866 4.039 20 5 HIBDLO O=C(C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)Nc1cccc(C(F)(F)F)c1 ZINC000464784071 878030777 /nfs/dbraw/zinc/03/07/77/878030777.db2.gz USFLRPPFEPMSMI-UHFFFAOYSA-N 1 2 423.391 4.096 20 5 HIBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC(=Cc2ccccc2F)CC1 ZINC000465086138 878449875 /nfs/dbraw/zinc/44/98/75/878449875.db2.gz VHUGJJDPTWMBFU-UHFFFAOYSA-N 1 2 406.417 4.239 20 5 HIBDLO O=C(NCCCn1cc[nH+]c1)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 ZINC000466777844 880557543 /nfs/dbraw/zinc/55/75/43/880557543.db2.gz MPUIOHVWCCDJRR-UHFFFAOYSA-N 1 2 416.890 4.416 20 5 HIBDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 ZINC000466798461 880577604 /nfs/dbraw/zinc/57/76/04/880577604.db2.gz ZRLXEEHIPJCARI-ZDUSSCGKSA-N 1 2 416.890 4.414 20 5 HIBDLO COCc1ccc([C@H]2CCC[N@@H+]2Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])o1 ZINC000467037658 880835447 /nfs/dbraw/zinc/83/54/47/880835447.db2.gz XSOACGWFHVVETF-CQSZACIVSA-N 1 2 412.389 4.281 20 5 HIBDLO COCc1ccc([C@H]2CCC[N@H+]2Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])o1 ZINC000467037658 880835449 /nfs/dbraw/zinc/83/54/49/880835449.db2.gz XSOACGWFHVVETF-CQSZACIVSA-N 1 2 412.389 4.281 20 5 HIBDLO Cc1nn(C(C)C)cc1C[NH+]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000467439564 881239549 /nfs/dbraw/zinc/23/95/49/881239549.db2.gz MNVUURAQGBWATG-UHFFFAOYSA-N 1 2 411.428 4.022 20 5 HIBDLO C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000469384576 883523888 /nfs/dbraw/zinc/52/38/88/883523888.db2.gz VADRRFYYELYVLY-OXQOHEQNSA-N 1 2 406.442 4.307 20 5 HIBDLO C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000469384577 883525494 /nfs/dbraw/zinc/52/54/94/883525494.db2.gz VADRRFYYELYVLY-UZLBHIALSA-N 1 2 406.442 4.307 20 5 HIBDLO C[C@H]1CCN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C[C@@H]1n1cc[nH+]c1 ZINC000469384761 883528461 /nfs/dbraw/zinc/52/84/61/883528461.db2.gz WGYIIVPVAOJAQA-KKSFZXQISA-N 1 2 405.458 4.258 20 5 HIBDLO C[C@@]1(O)CCC[N@@H+]([C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CC1 ZINC000471074074 885593556 /nfs/dbraw/zinc/59/35/56/885593556.db2.gz ZVNFMCFNHBDCTJ-PZJWPPBQSA-N 1 2 417.893 4.165 20 5 HIBDLO C[C@@]1(O)CCC[N@H+]([C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CC1 ZINC000471074074 885593568 /nfs/dbraw/zinc/59/35/68/885593568.db2.gz ZVNFMCFNHBDCTJ-PZJWPPBQSA-N 1 2 417.893 4.165 20 5 HIBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000471928897 886720055 /nfs/dbraw/zinc/72/00/55/886720055.db2.gz SLLVPSWMHBEUOZ-ROUUACIJSA-N 1 2 406.845 4.263 20 5 HIBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000471928897 886720064 /nfs/dbraw/zinc/72/00/64/886720064.db2.gz SLLVPSWMHBEUOZ-ROUUACIJSA-N 1 2 406.845 4.263 20 5 HIBDLO CCCCn1c(SCc2nc3cc([N+](=O)[O-])ccc3[nH]2)nnc1[C@H](CC)[NH+](C)C ZINC000473797412 888616536 /nfs/dbraw/zinc/61/65/36/888616536.db2.gz JCLMPJFGOUQNMJ-INIZCTEOSA-N 1 2 417.539 4.168 20 5 HIBDLO COc1ccc([C@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C2)cc1 ZINC000504495175 913285132 /nfs/dbraw/zinc/28/51/32/913285132.db2.gz YMCVKYCBKTXOEO-ZFWWWQNUSA-N 1 2 403.866 4.073 20 5 HIBDLO COc1ccc([C@H]2CC[N@H+]([C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C2)cc1 ZINC000504495175 913285146 /nfs/dbraw/zinc/28/51/46/913285146.db2.gz YMCVKYCBKTXOEO-ZFWWWQNUSA-N 1 2 403.866 4.073 20 5 HIBDLO CC1(C)C[N@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C[C@]2(CCOC2)O1 ZINC000475632914 890574506 /nfs/dbraw/zinc/57/45/06/890574506.db2.gz FEBHZGHUTDKOLO-QFIPXVFZSA-N 1 2 416.449 4.296 20 5 HIBDLO CC1(C)C[N@@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C[C@]2(CCOC2)O1 ZINC000475632914 890574508 /nfs/dbraw/zinc/57/45/08/890574508.db2.gz FEBHZGHUTDKOLO-QFIPXVFZSA-N 1 2 416.449 4.296 20 5 HIBDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)c(C)c1 ZINC000476125340 891047306 /nfs/dbraw/zinc/04/73/06/891047306.db2.gz ADVSJRQPVCIAND-IBGZPJMESA-N 1 2 403.442 4.061 20 5 HIBDLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000479892273 895238689 /nfs/dbraw/zinc/23/86/89/895238689.db2.gz XTGRZJFSAIMVGE-UHFFFAOYSA-N 1 2 415.519 4.234 20 5 HIBDLO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]Cc3cccnc3OCC(F)F)cs2)c1 ZINC000479985482 895338426 /nfs/dbraw/zinc/33/84/26/895338426.db2.gz UMSKIYSACZXLLR-UHFFFAOYSA-N 1 2 406.414 4.047 20 5 HIBDLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 ZINC000481387628 896788565 /nfs/dbraw/zinc/78/85/65/896788565.db2.gz WGAKXIQJPYBJHM-CYBMUJFWSA-N 1 2 416.890 4.414 20 5 HIBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000481946491 897334843 /nfs/dbraw/zinc/33/48/43/897334843.db2.gz PNFGOLZTYMQRIS-UHFFFAOYSA-N 1 2 406.533 4.402 20 5 HIBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+](CCc3ccccn3)Cc3ccc(F)cc3)nc2c1 ZINC000482693210 898292763 /nfs/dbraw/zinc/29/27/63/898292763.db2.gz UIGUJFVXLBVZCE-UHFFFAOYSA-N 1 2 405.433 4.250 20 5 HIBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+](CCc3ccccn3)Cc3ccc(F)cc3)nc2c1 ZINC000482693210 898292777 /nfs/dbraw/zinc/29/27/77/898292777.db2.gz UIGUJFVXLBVZCE-UHFFFAOYSA-N 1 2 405.433 4.250 20 5 HIBDLO CC[C@H](c1ccc(Br)cc1)[NH+]1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000505610375 914314713 /nfs/dbraw/zinc/31/47/13/914314713.db2.gz MABRMXSDVPVWNA-QGZVFWFLSA-N 1 2 405.296 4.026 20 5 HIBDLO C[C@@H]([NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)c1nc(C2CCCCC2)no1 ZINC000483647615 899304817 /nfs/dbraw/zinc/30/48/17/899304817.db2.gz BVQJXWQTOWMYLN-CQSZACIVSA-N 1 2 410.478 4.277 20 5 HIBDLO Cc1cc(Br)cc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1 ZINC000485669866 900919656 /nfs/dbraw/zinc/91/96/56/900919656.db2.gz GPPFFNUGMLFDTB-UHFFFAOYSA-N 1 2 401.220 4.104 20 5 HIBDLO C[C@H](C(=O)NC(C)(C)C)[N@H+](C)Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000485725822 900977086 /nfs/dbraw/zinc/97/70/86/900977086.db2.gz PTQJOROBEIMWAH-CQSZACIVSA-N 1 2 403.454 4.261 20 5 HIBDLO C[C@H](C(=O)NC(C)(C)C)[N@@H+](C)Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000485725822 900977091 /nfs/dbraw/zinc/97/70/91/900977091.db2.gz PTQJOROBEIMWAH-CQSZACIVSA-N 1 2 403.454 4.261 20 5 HIBDLO C[C@H]([NH2+][C@@H](C)c1nc(C(F)(F)F)cs1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000490077003 903760415 /nfs/dbraw/zinc/76/04/15/903760415.db2.gz CTEJMBVEIAHOCV-YUMQZZPRSA-N 1 2 422.816 4.401 20 5 HIBDLO COc1cc(OC)c(OC)cc1C[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000491399150 904578993 /nfs/dbraw/zinc/57/89/93/904578993.db2.gz VFTGYCAWWLUSFV-QHCPKHFHSA-N 1 2 408.454 4.500 20 5 HIBDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)c3ccc([N+](=O)[O-])c4cccnc34)n2)C1 ZINC000498878646 908276875 /nfs/dbraw/zinc/27/68/75/908276875.db2.gz RSXAUQIFUPADOG-ZDUSSCGKSA-N 1 2 411.487 4.084 20 5 HIBDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)c3ccc([N+](=O)[O-])c4cccnc34)n2)C1 ZINC000498878646 908276889 /nfs/dbraw/zinc/27/68/89/908276889.db2.gz RSXAUQIFUPADOG-ZDUSSCGKSA-N 1 2 411.487 4.084 20 5 HIBDLO C[C@H]1CO[C@@H](c2ccccc2Cl)C[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000500069934 909542419 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HEPAQBJKSNEPMX-UHFFFAOYSA-N 1 2 410.499 4.272 20 5 HIBDLO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000506357181 914979426 /nfs/dbraw/zinc/97/94/26/914979426.db2.gz RGBKAZUJXWIPGF-HNNXBMFYSA-N 1 2 414.483 4.451 20 5 HIBDLO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000506357181 914979459 /nfs/dbraw/zinc/97/94/59/914979459.db2.gz RGBKAZUJXWIPGF-HNNXBMFYSA-N 1 2 414.483 4.451 20 5 HIBDLO Cc1ccc([C@H](C)NC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1[N+](=O)[O-] ZINC000507583683 916338226 /nfs/dbraw/zinc/33/82/26/916338226.db2.gz JQSRWKWPQFKDAG-FUHWJXTLSA-N 1 2 411.506 4.086 20 5 HIBDLO COc1ccc([C@H]([NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)c2ccc(F)cc2)cc1 ZINC000507949257 916811426 /nfs/dbraw/zinc/81/14/26/916811426.db2.gz KYSZCPIMBUTOIK-JOCHJYFZSA-N 1 2 424.428 4.488 20 5 HIBDLO COc1cccc(C[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C2CCC(O)CC2)c1 ZINC000509687209 918318438 /nfs/dbraw/zinc/31/84/38/918318438.db2.gz 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Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1CCC([C@@H](F)c2ccccc2F)CC1 ZINC000511096000 919699337 /nfs/dbraw/zinc/69/93/37/919699337.db2.gz NDMQKZKUSYCWPT-HXUWFJFHSA-N 1 2 403.429 4.404 20 5 HIBDLO O=[N+]([O-])c1cc(C[N@H+](CCO)Cc2cccnc2)ccc1Oc1ccccc1Cl ZINC000513732190 922053444 /nfs/dbraw/zinc/05/34/44/922053444.db2.gz CHUFLXAFBGDFGD-UHFFFAOYSA-N 1 2 413.861 4.430 20 5 HIBDLO O=[N+]([O-])c1cc(C[N@@H+](CCO)Cc2cccnc2)ccc1Oc1ccccc1Cl ZINC000513732190 922053462 /nfs/dbraw/zinc/05/34/62/922053462.db2.gz CHUFLXAFBGDFGD-UHFFFAOYSA-N 1 2 413.861 4.430 20 5 HIBDLO COc1cc(C[NH2+][C@@H](C)c2ccc(Br)cc2F)c([N+](=O)[O-])cc1F ZINC000514634708 922736497 /nfs/dbraw/zinc/73/64/97/922736497.db2.gz FPWXMWCDKMWXAS-VIFPVBQESA-N 1 2 401.207 4.495 20 5 HIBDLO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000514894177 922836421 /nfs/dbraw/zinc/83/64/21/922836421.db2.gz SQHZYBBGLFXYSW-CYBMUJFWSA-N 1 2 416.890 4.231 20 5 HIBDLO O=C(Nc1ccc(Sc2nncs2)cc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 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20 5 HIBDLO Cc1ccc(C2CC[NH+]([C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CC2)cn1 ZINC000543988730 940284879 /nfs/dbraw/zinc/28/48/79/940284879.db2.gz FTNGUOFCEFBYGR-CQSZACIVSA-N 1 2 402.882 4.158 20 5 HIBDLO COc1ccc(C[NH2+][C@@H](C)c2nnc(C)s2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000544710216 940505466 /nfs/dbraw/zinc/50/54/66/940505466.db2.gz AAQQJVOLVDAZAK-ZDUSSCGKSA-N 1 2 414.487 4.193 20 5 HIBDLO O=[N+]([O-])c1cc(Cl)ccc1OCCc1nc(-c2cccc(-n3cc[nH+]c3)c2)no1 ZINC000544749586 940510638 /nfs/dbraw/zinc/51/06/38/940510638.db2.gz FORZZBJTVPEZFG-UHFFFAOYSA-N 1 2 411.805 4.105 20 5 HIBDLO O=[N+]([O-])c1cc(-c2nc(-c3cccc(Cn4cc[nH+]c4)c3)no2)ccc1NC1CC1 ZINC000546283263 940762439 /nfs/dbraw/zinc/76/24/39/940762439.db2.gz UJFYXEOHCZTRNK-UHFFFAOYSA-N 1 2 402.414 4.131 20 5 HIBDLO COc1ccc(C[C@@H]([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])c2ccccc2)cc1OC ZINC000549928255 941241052 /nfs/dbraw/zinc/24/10/52/941241052.db2.gz LNYIVHMSFBPEOZ-HXUWFJFHSA-N 1 2 408.454 4.391 20 5 HIBDLO C[C@H](c1ccc(OC(F)(F)F)cc1)[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000550112629 941286170 /nfs/dbraw/zinc/28/61/70/941286170.db2.gz HBPLPTOPWUDQJX-CQSZACIVSA-N 1 2 423.391 4.012 20 5 HIBDLO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](c1ccccc1)[N@@H+]1CCC[C@H](CO)CC1 ZINC000550489211 941332256 /nfs/dbraw/zinc/33/22/56/941332256.db2.gz DRWJFUNZZFWLIH-YWZLYKJASA-N 1 2 417.893 4.022 20 5 HIBDLO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](c1ccccc1)[N@H+]1CCC[C@H](CO)CC1 ZINC000550489211 941332259 /nfs/dbraw/zinc/33/22/59/941332259.db2.gz DRWJFUNZZFWLIH-YWZLYKJASA-N 1 2 417.893 4.022 20 5 HIBDLO O=[N+]([O-])c1ccc(N2CC[NH+](C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cn1 ZINC000551467899 941485784 /nfs/dbraw/zinc/48/57/84/941485784.db2.gz TVNDJBUWAGXPIT-UHFFFAOYSA-N 1 2 410.424 4.180 20 5 HIBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC000555008599 942353822 /nfs/dbraw/zinc/35/38/22/942353822.db2.gz CLXLNXAFOJBQGY-INIZCTEOSA-N 1 2 412.490 4.077 20 5 HIBDLO COC1(C)CC[NH+]([C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CC1 ZINC000557571014 943214180 /nfs/dbraw/zinc/21/41/80/943214180.db2.gz HUGALFAMGHOKFZ-LJQANCHMSA-N 1 2 417.893 4.429 20 5 HIBDLO O=C(Nc1ccc(Cl)cc1OCC(F)F)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000558302408 943493405 /nfs/dbraw/zinc/49/34/05/943493405.db2.gz VNXVSLVVFUJZLW-UHFFFAOYSA-N 1 2 422.775 4.330 20 5 HIBDLO C[C@@H]1C[C@H](c2cccnc2)[N@H+](CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 ZINC000561892689 944840556 /nfs/dbraw/zinc/84/05/56/944840556.db2.gz GLNNOUAVWCQZOA-AUUYWEPGSA-N 1 2 423.498 4.135 20 5 HIBDLO C[C@@H]1C[C@H](c2cccnc2)[N@@H+](CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 ZINC000561892689 944840566 /nfs/dbraw/zinc/84/05/66/944840566.db2.gz GLNNOUAVWCQZOA-AUUYWEPGSA-N 1 2 423.498 4.135 20 5 HIBDLO COc1ccc([C@@H](C)[NH2+][C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c(C)c1OC ZINC000561930435 944862428 /nfs/dbraw/zinc/86/24/28/944862428.db2.gz TWLYEYUXBWVUDZ-KGLIPLIRSA-N 1 2 412.446 4.382 20 5 HIBDLO COc1ccc([C@H](C)[NH2+][C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c(C)c1OC ZINC000561930437 944862865 /nfs/dbraw/zinc/86/28/65/944862865.db2.gz TWLYEYUXBWVUDZ-UONOGXRCSA-N 1 2 412.446 4.382 20 5 HIBDLO CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000567160296 946260557 /nfs/dbraw/zinc/26/05/57/946260557.db2.gz UVYQJVPLLWGENU-QTJFZDIUSA-N 1 2 419.884 4.443 20 5 HIBDLO CC[N@H+]1CC[C@H](NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000567160296 946260577 /nfs/dbraw/zinc/26/05/77/946260577.db2.gz UVYQJVPLLWGENU-QTJFZDIUSA-N 1 2 419.884 4.443 20 5 HIBDLO C[N@@H+](Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)C[C@H](O)C(F)(F)F ZINC000574726644 948514259 /nfs/dbraw/zinc/51/42/59/948514259.db2.gz NIIKNEHKJMEHBV-INIZCTEOSA-N 1 2 404.772 4.396 20 5 HIBDLO C[N@H+](Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)C[C@H](O)C(F)(F)F ZINC000574726644 948514274 /nfs/dbraw/zinc/51/42/74/948514274.db2.gz NIIKNEHKJMEHBV-INIZCTEOSA-N 1 2 404.772 4.396 20 5 HIBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000575851450 948741650 /nfs/dbraw/zinc/74/16/50/948741650.db2.gz VYFBWCIDHDZHPF-FUHWJXTLSA-N 1 2 406.845 4.263 20 5 HIBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000575851450 948741666 /nfs/dbraw/zinc/74/16/66/948741666.db2.gz VYFBWCIDHDZHPF-FUHWJXTLSA-N 1 2 406.845 4.263 20 5 HIBDLO O=[N+]([O-])c1ccc(NC(=S)N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000015152083 846014188 /nfs/dbraw/zinc/01/41/88/846014188.db2.gz JNIYMZTXHNKWPS-UHFFFAOYSA-N 1 2 424.448 4.128 20 5 HIBDLO Cc1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c(Br)c1 ZINC000015315745 846034472 /nfs/dbraw/zinc/03/44/72/846034472.db2.gz VCFZOUHZEWVHTH-UHFFFAOYSA-N 1 2 401.220 4.104 20 5 HIBDLO C[C@@H](c1nnc(Sc2ccc([N+](=O)[O-])cn2)n1-c1ccccc1)[NH+]1CCCCC1 ZINC000023616681 846729470 /nfs/dbraw/zinc/72/94/70/846729470.db2.gz SEMMWVWMQGEZRS-HNNXBMFYSA-N 1 2 410.503 4.269 20 5 HIBDLO O=C(NC1CC1)c1ccc(C[N@@H+](Cc2ccco2)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000025947880 847061103 /nfs/dbraw/zinc/06/11/03/847061103.db2.gz YJEOCHNBDBKUAP-UHFFFAOYSA-N 1 2 405.454 4.282 20 5 HIBDLO O=C(NC1CC1)c1ccc(C[N@H+](Cc2ccco2)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000025947880 847061107 /nfs/dbraw/zinc/06/11/07/847061107.db2.gz YJEOCHNBDBKUAP-UHFFFAOYSA-N 1 2 405.454 4.282 20 5 HIBDLO COc1ccc2cc(CN(C)C(=O)[C@H](C)[N@H+](C)Cc3ccccc3[N+](=O)[O-])ccc2c1 ZINC000026350354 847131205 /nfs/dbraw/zinc/13/12/05/847131205.db2.gz RAWWWLFDVLZDPV-KRWDZBQOSA-N 1 2 421.497 4.236 20 5 HIBDLO COc1ccc2cc(CN(C)C(=O)[C@H](C)[N@@H+](C)Cc3ccccc3[N+](=O)[O-])ccc2c1 ZINC000026350354 847131215 /nfs/dbraw/zinc/13/12/15/847131215.db2.gz RAWWWLFDVLZDPV-KRWDZBQOSA-N 1 2 421.497 4.236 20 5 HIBDLO O=C(NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)Nc1cccc([N+](=O)[O-])c1 ZINC000031092534 847822083 /nfs/dbraw/zinc/82/20/83/847822083.db2.gz QJBQPRZVUIQLGW-KRWDZBQOSA-N 1 2 406.845 4.346 20 5 HIBDLO COc1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1OC1CCCC1 ZINC000032242090 847993232 /nfs/dbraw/zinc/99/32/32/847993232.db2.gz SNSUPLMXTALFED-UHFFFAOYSA-N 1 2 422.441 4.363 20 5 HIBDLO C[C@H](c1nc2ccccc2s1)N(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032343147 848009592 /nfs/dbraw/zinc/00/95/92/848009592.db2.gz LUDRKVHJGOHASG-CYBMUJFWSA-N 1 2 407.455 4.223 20 5 HIBDLO O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000054122107 849813806 /nfs/dbraw/zinc/81/38/06/849813806.db2.gz OBEPZCIXVYNLNP-UHFFFAOYSA-N 1 2 413.474 4.297 20 5 HIBDLO O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000054122107 849813812 /nfs/dbraw/zinc/81/38/12/849813812.db2.gz OBEPZCIXVYNLNP-UHFFFAOYSA-N 1 2 413.474 4.297 20 5 HIBDLO O=C(Nc1ncc(Cc2ccc(F)cc2)s1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000104898159 852681087 /nfs/dbraw/zinc/68/10/87/852681087.db2.gz CETWYFVSMWOJMH-UHFFFAOYSA-N 1 2 423.429 4.219 20 5 HIBDLO C[C@H]([NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)c1nnc2n1CCC2 ZINC000237557562 854054392 /nfs/dbraw/zinc/05/43/92/854054392.db2.gz MKQXQGZYTXLBCX-ZDUSSCGKSA-N 1 2 413.865 4.429 20 5 HIBDLO O=C1CCCN1C[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 ZINC000237693248 854076923 /nfs/dbraw/zinc/07/69/23/854076923.db2.gz BGVPIRFSIUCDGN-OAHLLOKOSA-N 1 2 413.421 4.128 20 5 HIBDLO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]Cc3nncn3-c3ccccc3)o2)c(Cl)c1 ZINC000237818897 854103545 /nfs/dbraw/zinc/10/35/45/854103545.db2.gz QYSZHXRWSUHRDQ-UHFFFAOYSA-N 1 2 409.833 4.379 20 5 HIBDLO CCOc1cc(N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)ccc1[N+](=O)[O-] ZINC000301969862 854507513 /nfs/dbraw/zinc/50/75/13/854507513.db2.gz CMPQTRYRUOEFKL-VQTJNVASSA-N 1 2 405.882 4.131 20 5 HIBDLO CCOc1cc(N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)ccc1[N+](=O)[O-] ZINC000301969862 854507514 /nfs/dbraw/zinc/50/75/14/854507514.db2.gz CMPQTRYRUOEFKL-VQTJNVASSA-N 1 2 405.882 4.131 20 5 HIBDLO O=[N+]([O-])c1ccsc1NCc1cc[nH+]c(N2CCN(c3ccc(F)cc3)CC2)c1 ZINC000302002308 854514510 /nfs/dbraw/zinc/51/45/10/854514510.db2.gz SKWOYHOZLDASTO-UHFFFAOYSA-N 1 2 413.478 4.129 20 5 HIBDLO CC[C@@H](C)[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1nc2ccccc2[nH]1 ZINC000410076306 855809849 /nfs/dbraw/zinc/80/98/49/855809849.db2.gz XLWHRCAIUYDFIA-VLIAUNLRSA-N 1 2 418.457 4.174 20 5 HIBDLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cc([N+](=O)[O-])ccc1SC(C)C ZINC000430481127 858190295 /nfs/dbraw/zinc/19/02/95/858190295.db2.gz FBXLZCRTPIYADR-UHFFFAOYSA-N 1 2 404.536 4.407 20 5 HIBDLO Cc1ccc(NC(=O)c2ccc(N3CC[C@@H](Oc4cc[nH+]cc4)C3)c([N+](=O)[O-])c2)cc1 ZINC000432921038 859431341 /nfs/dbraw/zinc/43/13/41/859431341.db2.gz YEFZYXVMYVSKMR-HXUWFJFHSA-N 1 2 418.453 4.208 20 5 HIBDLO C[C@H]1C[N@H+](Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC[S@](=O)C1 ZINC000433025304 859485557 /nfs/dbraw/zinc/48/55/57/859485557.db2.gz JLZUGEWATYQEHP-PWFNWSNSSA-N 1 2 408.907 4.241 20 5 HIBDLO C[C@H]1C[N@@H+](Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC[S@](=O)C1 ZINC000433025304 859485566 /nfs/dbraw/zinc/48/55/66/859485566.db2.gz JLZUGEWATYQEHP-PWFNWSNSSA-N 1 2 408.907 4.241 20 5 HIBDLO Cc1occc1C[N@@H+](C)[C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000434715511 860467753 /nfs/dbraw/zinc/46/77/53/860467753.db2.gz ZISMLYKQDZCYHH-GFCCVEGCSA-N 1 2 400.460 4.079 20 5 HIBDLO Cc1occc1C[N@H+](C)[C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000434715511 860467765 /nfs/dbraw/zinc/46/77/65/860467765.db2.gz ZISMLYKQDZCYHH-GFCCVEGCSA-N 1 2 400.460 4.079 20 5 HIBDLO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)c1 ZINC000441481006 866560230 /nfs/dbraw/zinc/56/02/30/866560230.db2.gz LZBIGLFVEMPGCH-LJQANCHMSA-N 1 2 410.499 4.301 20 5 HIBDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(C)c1 ZINC000441495501 866577527 /nfs/dbraw/zinc/57/75/27/866577527.db2.gz XLNCXQXYBDFXMS-LJQANCHMSA-N 1 2 404.426 4.326 20 5 HIBDLO COc1ccc([C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC)c2ccccc2OC)cc1 ZINC000443464082 868053664 /nfs/dbraw/zinc/05/36/64/868053664.db2.gz KQQLBUZQMNMMGJ-HSZRJFAPSA-N 1 2 408.454 4.500 20 5 HIBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC[C@@H](COc4ccccc4Cl)C3)nc2c1 ZINC000444660892 868938684 /nfs/dbraw/zinc/93/86/84/868938684.db2.gz SWPUEWSTRSUCAC-CQSZACIVSA-N 1 2 400.866 4.416 20 5 HIBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCC[C@@H](COc4ccccc4Cl)C3)nc2c1 ZINC000444660892 868938688 /nfs/dbraw/zinc/93/86/88/868938688.db2.gz SWPUEWSTRSUCAC-CQSZACIVSA-N 1 2 400.866 4.416 20 5 HIBDLO Cc1cccc2nc(C3CC[NH+](CC(=O)Nc4cc([N+](=O)[O-])ccc4C)CC3)oc21 ZINC000444763512 868991083 /nfs/dbraw/zinc/99/10/83/868991083.db2.gz DQLBEDTYABIAMH-UHFFFAOYSA-N 1 2 408.458 4.171 20 5 HIBDLO O=[N+]([O-])c1cc(C[NH2+]Cc2ccc(Cl)cc2I)cs1 ZINC000446836596 870754904 /nfs/dbraw/zinc/75/49/04/870754904.db2.gz VQLHGHAPMSRBDS-UHFFFAOYSA-N 1 2 408.648 4.204 20 5 HIBDLO COc1cc(-c2noc(C[NH+]3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)n2)ccc1C ZINC000448084005 871913556 /nfs/dbraw/zinc/91/35/56/871913556.db2.gz BUXLOAAGXIBTHA-UHFFFAOYSA-N 1 2 424.457 4.005 20 5 HIBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000462495273 875608042 /nfs/dbraw/zinc/60/80/42/875608042.db2.gz KKEFATMMJVZAJB-PKOBYXMFSA-N 1 2 411.502 4.195 20 5 HIBDLO CC[C@@H](NC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000463315701 876375179 /nfs/dbraw/zinc/37/51/79/876375179.db2.gz PYUXSDLZHYQFPF-HNAYVOBHSA-N 1 2 402.520 4.196 20 5 HIBDLO O=[N+]([O-])c1cccc(-c2cnc(CC[NH2+]C3(c4noc(C5CC5)n4)CCCC3)o2)c1 ZINC000464731816 877966786 /nfs/dbraw/zinc/96/67/86/877966786.db2.gz GDXMLZWFOUUTBC-UHFFFAOYSA-N 1 2 409.446 4.112 20 5 HIBDLO C[C@@H]1CCN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C[C@@H]1n1cc[nH+]c1 ZINC000469381372 883516344 /nfs/dbraw/zinc/51/63/44/883516344.db2.gz MMMUBSHRFHVHNG-VGSWGCGISA-N 1 2 419.485 4.127 20 5 HIBDLO C[C@@H]1CCN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C[C@H]1n1cc[nH+]c1 ZINC000469384760 883527581 /nfs/dbraw/zinc/52/75/81/883527581.db2.gz WGYIIVPVAOJAQA-IIBYNOLFSA-N 1 2 405.458 4.258 20 5 HIBDLO C[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1cccc(OC(F)(F)F)c1 ZINC000470006227 884221969 /nfs/dbraw/zinc/22/19/69/884221969.db2.gz NZONPXZINIWHIV-UHFFFAOYSA-N 1 2 408.336 4.175 20 5 HIBDLO C[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1cccc(OC(F)(F)F)c1 ZINC000470006227 884221991 /nfs/dbraw/zinc/22/19/91/884221991.db2.gz NZONPXZINIWHIV-UHFFFAOYSA-N 1 2 408.336 4.175 20 5 HIBDLO CC(C)(C)[N@H+](Cc1ccccc1Br)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000474152488 888983877 /nfs/dbraw/zinc/98/38/77/888983877.db2.gz HXBKTQYMCJOTTN-UHFFFAOYSA-N 1 2 420.307 4.257 20 5 HIBDLO CC(C)(C)[N@@H+](Cc1ccccc1Br)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000474152488 888983896 /nfs/dbraw/zinc/98/38/96/888983896.db2.gz HXBKTQYMCJOTTN-UHFFFAOYSA-N 1 2 420.307 4.257 20 5 HIBDLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000477983434 893082876 /nfs/dbraw/zinc/08/28/76/893082876.db2.gz AAMHXZBAQCFNNL-UHFFFAOYSA-N 1 2 408.461 4.492 20 5 HIBDLO CCn1c(SCc2ccc(-n3cc[nH+]c3)cc2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000478721375 893993504 /nfs/dbraw/zinc/99/35/04/893993504.db2.gz SXGCAPZUMKGWTD-UHFFFAOYSA-N 1 2 406.471 4.351 20 5 HIBDLO O=C(Nc1ccc(Oc2ccccn2)cc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000505176830 913864061 /nfs/dbraw/zinc/86/40/61/913864061.db2.gz OGBJEPIDZZOZIZ-UHFFFAOYSA-N 1 2 401.382 4.220 20 5 HIBDLO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000505481781 914163055 /nfs/dbraw/zinc/16/30/55/914163055.db2.gz WNNHLZYDXFOAGZ-UHFFFAOYSA-N 1 2 405.545 4.116 20 5 HIBDLO CCOC(=O)c1csc([C@H]2CCC[N@@H+]2C/C(C)=C\c2cccc([N+](=O)[O-])c2)n1 ZINC000483400080 899033751 /nfs/dbraw/zinc/03/37/51/899033751.db2.gz CNNZFXMPYSPOGA-RXEWJAMOSA-N 1 2 401.488 4.468 20 5 HIBDLO CCOC(=O)c1csc([C@H]2CCC[N@H+]2C/C(C)=C\c2cccc([N+](=O)[O-])c2)n1 ZINC000483400080 899033768 /nfs/dbraw/zinc/03/37/68/899033768.db2.gz CNNZFXMPYSPOGA-RXEWJAMOSA-N 1 2 401.488 4.468 20 5 HIBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000484145361 899765006 /nfs/dbraw/zinc/76/50/06/899765006.db2.gz RQINXSMXRUEOSB-MRXNPFEDSA-N 1 2 408.433 4.330 20 5 HIBDLO CCS[C@H](C)c1noc(C[N@H+](C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)n1 ZINC000485966163 901182455 /nfs/dbraw/zinc/18/24/55/901182455.db2.gz OWXLWVNBKDUJKP-CYBMUJFWSA-N 1 2 417.491 4.121 20 5 HIBDLO CCS[C@H](C)c1noc(C[N@@H+](C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)n1 ZINC000485966163 901182466 /nfs/dbraw/zinc/18/24/66/901182466.db2.gz OWXLWVNBKDUJKP-CYBMUJFWSA-N 1 2 417.491 4.121 20 5 HIBDLO Cc1ccc([C@H](C)NC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)cc1[N+](=O)[O-] ZINC000487734182 902328111 /nfs/dbraw/zinc/32/81/11/902328111.db2.gz VODKPTYAFYYTIO-AWEZNQCLSA-N 1 2 403.508 4.228 20 5 HIBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC[C@H]1CCCc1ccccc1 ZINC000489279827 903304672 /nfs/dbraw/zinc/30/46/72/903304672.db2.gz PQRCQWSOTRPIAY-HXUWFJFHSA-N 1 2 404.470 4.408 20 5 HIBDLO C[N@@H+]1CC[C@H](NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000489534878 903445336 /nfs/dbraw/zinc/44/53/36/903445336.db2.gz FENWKTJYXYUIIH-HKUYNNGSSA-N 1 2 419.884 4.227 20 5 HIBDLO C[N@H+]1CC[C@H](NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000489534878 903445343 /nfs/dbraw/zinc/44/53/43/903445343.db2.gz FENWKTJYXYUIIH-HKUYNNGSSA-N 1 2 419.884 4.227 20 5 HIBDLO CCO[C@@H](C)c1nc(CN2CC[NH+]([C@@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)cs1 ZINC000490031785 903734148 /nfs/dbraw/zinc/73/41/48/903734148.db2.gz PNDPAKNBUIKCKL-IRXDYDNUSA-N 1 2 418.563 4.336 20 5 HIBDLO Cc1csc(-c2ccc(NC(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)cc2)n1 ZINC000506116834 914809399 /nfs/dbraw/zinc/80/93/99/914809399.db2.gz BMWOPRHRMIHCIF-UHFFFAOYSA-N 1 2 405.439 4.465 20 5 HIBDLO COc1cc(C[N@H+](C)Cc2ccc(F)c(F)c2)c([N+](=O)[O-])cc1OCC(F)F ZINC000491184834 904472262 /nfs/dbraw/zinc/47/22/62/904472262.db2.gz XTAPVLUYHHAMBG-UHFFFAOYSA-N 1 2 402.344 4.158 20 5 HIBDLO COc1cc(C[N@@H+](C)Cc2ccc(F)c(F)c2)c([N+](=O)[O-])cc1OCC(F)F ZINC000491184834 904472271 /nfs/dbraw/zinc/47/22/71/904472271.db2.gz XTAPVLUYHHAMBG-UHFFFAOYSA-N 1 2 402.344 4.158 20 5 HIBDLO CCOc1cc(C[NH2+][C@@H](C(=O)Nc2ccccc2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000492657335 904883189 /nfs/dbraw/zinc/88/31/89/904883189.db2.gz RYIYVBPNRZRXHQ-JOCHJYFZSA-N 1 2 405.454 4.463 20 5 HIBDLO CO[C@@H](C)c1nc(CN2CCC[N@H+](Cc3c(Cl)cccc3[N+](=O)[O-])CC2)cs1 ZINC000493310551 905083795 /nfs/dbraw/zinc/08/37/95/905083795.db2.gz LXVIZUXIIVTHOI-AWEZNQCLSA-N 1 2 424.954 4.120 20 5 HIBDLO CO[C@@H](C)c1nc(CN2CCC[N@@H+](Cc3c(Cl)cccc3[N+](=O)[O-])CC2)cs1 ZINC000493310551 905083817 /nfs/dbraw/zinc/08/38/17/905083817.db2.gz LXVIZUXIIVTHOI-AWEZNQCLSA-N 1 2 424.954 4.120 20 5 HIBDLO O=C(Nc1cccc2oc(C(F)(F)F)nc21)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000499527638 908830288 /nfs/dbraw/zinc/83/02/88/908830288.db2.gz MGINIAIYBUFPOX-UHFFFAOYSA-N 1 2 417.303 4.193 20 5 HIBDLO CCN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1cccc(Br)c1 ZINC000501074630 910276433 /nfs/dbraw/zinc/27/64/33/910276433.db2.gz CSTBQYDEAGANHU-UHFFFAOYSA-N 1 2 415.247 4.210 20 5 HIBDLO Cc1cc(Br)ccc1NC(=O)C[N@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000506808089 915557475 /nfs/dbraw/zinc/55/74/75/915557475.db2.gz VRKQJRVLBNHVKB-ALCCZGGFSA-N 1 2 418.291 4.249 20 5 HIBDLO Cc1cc(Br)ccc1NC(=O)C[N@@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000506808089 915557495 /nfs/dbraw/zinc/55/74/95/915557495.db2.gz VRKQJRVLBNHVKB-ALCCZGGFSA-N 1 2 418.291 4.249 20 5 HIBDLO COc1cc(C[NH+]2CCC(C(=O)c3ccc(Cl)cc3)CC2)c([N+](=O)[O-])cc1OC ZINC000507077323 915855876 /nfs/dbraw/zinc/85/58/76/915855876.db2.gz KHSHXSKTQMQRGD-UHFFFAOYSA-N 1 2 418.877 4.360 20 5 HIBDLO Cc1ccc(S(=O)(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000507572126 916327399 /nfs/dbraw/zinc/32/73/99/916327399.db2.gz VQFSWPJDYYYLBQ-UHFFFAOYSA-N 1 2 417.531 4.469 20 5 HIBDLO Cc1ccc(S(=O)(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000507572126 916327420 /nfs/dbraw/zinc/32/74/20/916327420.db2.gz VQFSWPJDYYYLBQ-UHFFFAOYSA-N 1 2 417.531 4.469 20 5 HIBDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)n2)C1 ZINC000509233692 917929816 /nfs/dbraw/zinc/92/98/16/917929816.db2.gz IOTROUSREJGJCB-LBPRGKRZSA-N 1 2 400.460 4.282 20 5 HIBDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)n2)C1 ZINC000509233692 917929825 /nfs/dbraw/zinc/92/98/25/917929825.db2.gz IOTROUSREJGJCB-LBPRGKRZSA-N 1 2 400.460 4.282 20 5 HIBDLO COc1ccc(NC(=O)C[N@@H+]2C[C@@H](C)CC[C@@H]2c2ccccc2OC)c([N+](=O)[O-])c1 ZINC000510215948 918762471 /nfs/dbraw/zinc/76/24/71/918762471.db2.gz XBMXELYFIIHFOG-HNAYVOBHSA-N 1 2 413.474 4.024 20 5 HIBDLO COc1ccc(NC(=O)C[N@H+]2C[C@@H](C)CC[C@@H]2c2ccccc2OC)c([N+](=O)[O-])c1 ZINC000510215948 918762477 /nfs/dbraw/zinc/76/24/77/918762477.db2.gz XBMXELYFIIHFOG-HNAYVOBHSA-N 1 2 413.474 4.024 20 5 HIBDLO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CC=C(c3ccnn3C)CC2)cc1OC ZINC000511096461 919698955 /nfs/dbraw/zinc/69/89/55/919698955.db2.gz PEHZMWGKVPPMAM-INIZCTEOSA-N 1 2 414.506 4.051 20 5 HIBDLO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CC=C(c3ccnn3C)CC2)cc1OC ZINC000511096461 919698969 /nfs/dbraw/zinc/69/89/69/919698969.db2.gz PEHZMWGKVPPMAM-INIZCTEOSA-N 1 2 414.506 4.051 20 5 HIBDLO Cc1cccc([C@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C(F)(F)F)c1 ZINC000511706576 920370438 /nfs/dbraw/zinc/37/04/38/920370438.db2.gz ZPRSYNNIOXEVDI-KRWDZBQOSA-N 1 2 404.348 4.122 20 5 HIBDLO Cn1ccnc1[C@@H]([NH2+]CCOc1ccccc1C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000513679524 922000694 /nfs/dbraw/zinc/00/06/94/922000694.db2.gz XSOZHAWFFFGEJO-SFHVURJKSA-N 1 2 420.391 4.105 20 5 HIBDLO Cn1ccnc1[C@@H]([NH2+]CCc1coc(-c2ccc(F)cc2)n1)c1cccc([N+](=O)[O-])c1 ZINC000513696831 922016903 /nfs/dbraw/zinc/01/69/03/922016903.db2.gz FEMWXRFNLYDGIB-FQEVSTJZSA-N 1 2 421.432 4.044 20 5 HIBDLO O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000514983558 922867043 /nfs/dbraw/zinc/86/70/43/922867043.db2.gz ZGRXAWXIJYAZCU-UHFFFAOYSA-N 1 2 419.363 4.240 20 5 HIBDLO CC(C)c1ccc(C[NH2+]Cc2csc(CNC(=O)c3ccccc3)n2)cc1[N+](=O)[O-] ZINC000531409426 931046239 /nfs/dbraw/zinc/04/62/39/931046239.db2.gz MULILMBZBPVQCK-UHFFFAOYSA-N 1 2 424.526 4.395 20 5 HIBDLO Cc1ccc([C@@H](C)[NH2+]Cc2csc(CNC(=O)c3ccccc3)n2)cc1[N+](=O)[O-] ZINC000531979770 931273667 /nfs/dbraw/zinc/27/36/67/931273667.db2.gz RLLZGKSUOGXTNK-OAHLLOKOSA-N 1 2 410.499 4.141 20 5 HIBDLO Cc1c(NC(=O)CC[N@H+]2C[C@H](c3ccccc3Cl)OC[C@H]2C)cccc1[N+](=O)[O-] ZINC000533441410 931869914 /nfs/dbraw/zinc/86/99/14/931869914.db2.gz ALJRORNOZBXVDZ-JLTOFOAXSA-N 1 2 417.893 4.347 20 5 HIBDLO Cc1c(NC(=O)CC[N@@H+]2C[C@H](c3ccccc3Cl)OC[C@H]2C)cccc1[N+](=O)[O-] ZINC000533441410 931869918 /nfs/dbraw/zinc/86/99/18/931869918.db2.gz ALJRORNOZBXVDZ-JLTOFOAXSA-N 1 2 417.893 4.347 20 5 HIBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000533490447 931883694 /nfs/dbraw/zinc/88/36/94/931883694.db2.gz VDWBSSVQHNVBMB-UHFFFAOYSA-N 1 2 408.433 4.251 20 5 HIBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000533490447 931883696 /nfs/dbraw/zinc/88/36/96/931883696.db2.gz VDWBSSVQHNVBMB-UHFFFAOYSA-N 1 2 408.433 4.251 20 5 HIBDLO C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)Cc1nc(-c2cccnc2)no1 ZINC000537626897 938338386 /nfs/dbraw/zinc/33/83/86/938338386.db2.gz HBBRWFHOYAPNHS-UHFFFAOYSA-N 1 2 407.455 4.400 20 5 HIBDLO C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)Cc1nc(-c2cccnc2)no1 ZINC000537626897 938338392 /nfs/dbraw/zinc/33/83/92/938338392.db2.gz HBBRWFHOYAPNHS-UHFFFAOYSA-N 1 2 407.455 4.400 20 5 HIBDLO COc1cc(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)ccc1OCc1ccncc1 ZINC000537628419 938339982 /nfs/dbraw/zinc/33/99/82/938339982.db2.gz GVPIUBZNJGJNDQ-UHFFFAOYSA-N 1 2 405.454 4.136 20 5 HIBDLO COc1cc(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)ccc1OCc1ccncc1 ZINC000537628419 938339986 /nfs/dbraw/zinc/33/99/86/938339986.db2.gz GVPIUBZNJGJNDQ-UHFFFAOYSA-N 1 2 405.454 4.136 20 5 HIBDLO Cc1ccc([C@H](C)[NH2+]Cc2csc(CC(=O)Nc3ccccc3)n2)cc1[N+](=O)[O-] ZINC000538279985 938582554 /nfs/dbraw/zinc/58/25/54/938582554.db2.gz SHFYPLJLCFVUCV-HNNXBMFYSA-N 1 2 410.499 4.392 20 5 HIBDLO CC[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)[C@H](C)CS(=O)(=O)CC ZINC000538732679 938695680 /nfs/dbraw/zinc/69/56/80/938695680.db2.gz HUPLMFPVNWWDMV-CYBMUJFWSA-N 1 2 414.911 4.153 20 5 HIBDLO CC[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)[C@H](C)CS(=O)(=O)CC ZINC000538732679 938695681 /nfs/dbraw/zinc/69/56/81/938695681.db2.gz HUPLMFPVNWWDMV-CYBMUJFWSA-N 1 2 414.911 4.153 20 5 HIBDLO COc1ccc(-c2ccc(C[N@@H+]3CCO[C@@H](c4ccsc4)C3)o2)c([N+](=O)[O-])c1 ZINC000539849325 938957035 /nfs/dbraw/zinc/95/70/35/938957035.db2.gz GSWMOAYOICHVJA-HXUWFJFHSA-N 1 2 400.456 4.498 20 5 HIBDLO COc1ccc(-c2ccc(C[N@H+]3CCO[C@@H](c4ccsc4)C3)o2)c([N+](=O)[O-])c1 ZINC000539849325 938957038 /nfs/dbraw/zinc/95/70/38/938957038.db2.gz GSWMOAYOICHVJA-HXUWFJFHSA-N 1 2 400.456 4.498 20 5 HIBDLO CC(C)[N@@H+]1CC[C@H](NC(=O)c2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540799257 939376387 /nfs/dbraw/zinc/37/63/87/939376387.db2.gz CZRYQOKHRXPZEW-HKUYNNGSSA-N 1 2 405.857 4.341 20 5 HIBDLO CC(C)[N@H+]1CC[C@H](NC(=O)c2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540799257 939376390 /nfs/dbraw/zinc/37/63/90/939376390.db2.gz CZRYQOKHRXPZEW-HKUYNNGSSA-N 1 2 405.857 4.341 20 5 HIBDLO C[C@@](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)(c1ccc(F)cc1)C(F)(F)F ZINC000541941027 939658846 /nfs/dbraw/zinc/65/88/46/939658846.db2.gz GHWZVUSUNJGDSC-GOSISDBHSA-N 1 2 422.338 4.127 20 5 HIBDLO CCc1ccc([C@@H]([NH2+]Cc2ccc(C(=O)OC)c(OC)c2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000542495510 939832644 /nfs/dbraw/zinc/83/26/44/939832644.db2.gz XCEYSURORLJNNM-QFIPXVFZSA-N 1 2 424.453 4.425 20 5 HIBDLO C[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cc(Cl)sc1Cl ZINC000542683317 939853925 /nfs/dbraw/zinc/85/39/25/939853925.db2.gz PFRUIPZOSVYPNJ-VIFPVBQESA-N 1 2 409.316 4.088 20 5 HIBDLO O=C(NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1)c1csc([N+](=O)[O-])c1 ZINC000543157247 939979428 /nfs/dbraw/zinc/97/94/28/939979428.db2.gz XMHDSKCJHSVVBT-UHFFFAOYSA-N 1 2 414.314 4.358 20 5 HIBDLO CC[C@@H]([NH2+]CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1nc(C)cs1 ZINC000543488857 940080962 /nfs/dbraw/zinc/08/09/62/940080962.db2.gz XUQAWESPKRJCSX-CQSZACIVSA-N 1 2 417.516 4.163 20 5 HIBDLO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1nc(C(F)(F)F)cs1 ZINC000543493817 940083445 /nfs/dbraw/zinc/08/34/45/940083445.db2.gz ZOWUDNNBMGNYMX-BXKDBHETSA-N 1 2 402.398 4.138 20 5 HIBDLO Cc1cnc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)s1 ZINC000543547986 940104373 /nfs/dbraw/zinc/10/43/73/940104373.db2.gz SFJSNWBRSYQVST-VXGBXAGGSA-N 1 2 417.516 4.161 20 5 HIBDLO Cc1ccc(C2CC[NH+]([C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CC2)cn1 ZINC000543988729 940284806 /nfs/dbraw/zinc/28/48/06/940284806.db2.gz FTNGUOFCEFBYGR-AWEZNQCLSA-N 1 2 402.882 4.158 20 5 HIBDLO C[C@H]([NH2+][C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)c1cnn(C)c1 ZINC000544470061 940445463 /nfs/dbraw/zinc/44/54/63/940445463.db2.gz WWAQRTQYVJLVJO-DJJJIMSYSA-N 1 2 413.865 4.012 20 5 HIBDLO C[N@@H+]1CC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000544624421 940492844 /nfs/dbraw/zinc/49/28/44/940492844.db2.gz RJQBZBOBWSMIKL-DLBZAZTESA-N 1 2 410.808 4.093 20 5 HIBDLO C[N@H+]1CC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000544624421 940492845 /nfs/dbraw/zinc/49/28/45/940492845.db2.gz RJQBZBOBWSMIKL-DLBZAZTESA-N 1 2 410.808 4.093 20 5 HIBDLO Cc1cccn2cc(Cc3noc(-c4csc(-c5ccc([N+](=O)[O-])cc5)n4)n3)[nH+]c12 ZINC000544649298 940498450 /nfs/dbraw/zinc/49/84/50/940498450.db2.gz MSWAKCIOIBHENP-UHFFFAOYSA-N 1 2 418.438 4.315 20 5 HIBDLO COc1ccc(C[NH2+][C@H](C)c2nnc(C)s2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000544710215 940505390 /nfs/dbraw/zinc/50/53/90/940505390.db2.gz AAQQJVOLVDAZAK-CYBMUJFWSA-N 1 2 414.487 4.193 20 5 HIBDLO COCCn1cc2c(n1)[C@H]([NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)CCC2 ZINC000544896095 940522869 /nfs/dbraw/zinc/52/28/69/940522869.db2.gz HOHVSUBPTANAMX-YADHBBJMSA-N 1 2 406.486 4.194 20 5 HIBDLO C/C(=C\c1nc(-c2ccccc2C[NH+]2CCOCC2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000547001516 940950139 /nfs/dbraw/zinc/95/01/39/940950139.db2.gz PUDHCUJMCUDWLI-JQIJEIRASA-N 1 2 406.442 4.038 20 5 HIBDLO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC000548928075 941130058 /nfs/dbraw/zinc/13/00/58/941130058.db2.gz OIJCWDPCROBAHT-UHFFFAOYSA-N 1 2 410.455 4.240 20 5 HIBDLO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC000548928075 941130059 /nfs/dbraw/zinc/13/00/59/941130059.db2.gz OIJCWDPCROBAHT-UHFFFAOYSA-N 1 2 410.455 4.240 20 5 HIBDLO CCOc1ccc(NC(=O)C[N@H+](C)[C@@H](CC)c2ccccc2OC)c([N+](=O)[O-])c1 ZINC000553993634 942014981 /nfs/dbraw/zinc/01/49/81/942014981.db2.gz WBMBDEIDELJPKK-SFHVURJKSA-N 1 2 401.463 4.024 20 5 HIBDLO CCOc1ccc(NC(=O)C[N@@H+](C)[C@@H](CC)c2ccccc2OC)c([N+](=O)[O-])c1 ZINC000553993634 942014984 /nfs/dbraw/zinc/01/49/84/942014984.db2.gz WBMBDEIDELJPKK-SFHVURJKSA-N 1 2 401.463 4.024 20 5 HIBDLO COc1cc(C[NH2+]Cc2noc3c2CCCC3)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000568912256 946747427 /nfs/dbraw/zinc/74/74/27/946747427.db2.gz WHGCFHVRXJNULR-UHFFFAOYSA-N 1 2 423.469 4.339 20 5 HIBDLO CC(C)(NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 ZINC000568968728 946783961 /nfs/dbraw/zinc/78/39/61/946783961.db2.gz OUUGLFTVCMFEET-UHFFFAOYSA-N 1 2 418.375 4.464 20 5 HIBDLO C[C@H](C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000571016137 947439704 /nfs/dbraw/zinc/43/97/04/947439704.db2.gz UENYUYNUJYFQRF-YXKWSERDSA-N 1 2 405.857 4.052 20 5 HIBDLO C[C@H](C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000571016137 947439717 /nfs/dbraw/zinc/43/97/17/947439717.db2.gz UENYUYNUJYFQRF-YXKWSERDSA-N 1 2 405.857 4.052 20 5 HIBDLO C[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000571016134 947440357 /nfs/dbraw/zinc/44/03/57/947440357.db2.gz UENYUYNUJYFQRF-GESALYCCSA-N 1 2 405.857 4.052 20 5 HIBDLO C[C@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000571016134 947440369 /nfs/dbraw/zinc/44/03/69/947440369.db2.gz UENYUYNUJYFQRF-GESALYCCSA-N 1 2 405.857 4.052 20 5 HIBDLO Cn1ccnc1[C@@H]([NH2+]CCSc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000571665351 947739781 /nfs/dbraw/zinc/73/97/81/947739781.db2.gz BAGCGKUOGAQOJP-SFHVURJKSA-N 1 2 402.907 4.453 20 5 HIBDLO C[N@@H+](Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)C[C@@H](O)C(F)(F)F ZINC000574726651 948515834 /nfs/dbraw/zinc/51/58/34/948515834.db2.gz NIIKNEHKJMEHBV-MRXNPFEDSA-N 1 2 404.772 4.396 20 5 HIBDLO C[N@H+](Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)C[C@@H](O)C(F)(F)F ZINC000574726651 948515851 /nfs/dbraw/zinc/51/58/51/948515851.db2.gz NIIKNEHKJMEHBV-MRXNPFEDSA-N 1 2 404.772 4.396 20 5 HIBDLO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H](O)COc1cccc2ccccc21 ZINC000011013208 845742852 /nfs/dbraw/zinc/74/28/52/845742852.db2.gz UFJBHRJTMYIPBK-SFHVURJKSA-N 1 2 400.862 4.273 20 5 HIBDLO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H](O)COc1cccc2ccccc21 ZINC000011013208 845742861 /nfs/dbraw/zinc/74/28/61/845742861.db2.gz UFJBHRJTMYIPBK-SFHVURJKSA-N 1 2 400.862 4.273 20 5 HIBDLO Cc1cc(N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)nc(C(C)C)[nH+]1 ZINC000015117730 846010821 /nfs/dbraw/zinc/01/08/21/846010821.db2.gz PKHCYGISRZIKSF-UHFFFAOYSA-N 1 2 409.412 4.162 20 5 HIBDLO C[C@@H](c1nnc(SCc2cccc([N+](=O)[O-])c2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000022876465 846631224 /nfs/dbraw/zinc/63/12/24/846631224.db2.gz HFOMVKOKXIWOTF-ZDUSSCGKSA-N 1 2 401.467 4.230 20 5 HIBDLO Cc1c(NC(=O)[C@H](C)[N@H+](C)Cc2ccccc2OC(F)(F)F)cccc1[N+](=O)[O-] ZINC000025255657 846948970 /nfs/dbraw/zinc/94/89/70/846948970.db2.gz BWPVSHGVPUXRLZ-ZDUSSCGKSA-N 1 2 411.380 4.261 20 5 HIBDLO Cc1c(NC(=O)[C@H](C)[N@@H+](C)Cc2ccccc2OC(F)(F)F)cccc1[N+](=O)[O-] ZINC000025255657 846948978 /nfs/dbraw/zinc/94/89/78/846948978.db2.gz BWPVSHGVPUXRLZ-ZDUSSCGKSA-N 1 2 411.380 4.261 20 5 HIBDLO O=C(NCCc1[nH+]ccn1Cc1ccccc1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000026216240 847104214 /nfs/dbraw/zinc/10/42/14/847104214.db2.gz XHBJZQZQYLVWDI-UHFFFAOYSA-N 1 2 406.467 4.027 20 5 HIBDLO Cc1cc(C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000031895719 847962911 /nfs/dbraw/zinc/96/29/11/847962911.db2.gz AFUAACLXIRBJIV-GOSISDBHSA-N 1 2 405.857 4.263 20 5 HIBDLO CCOc1ccc([C@@H](C)NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1OCC ZINC000032243571 847993201 /nfs/dbraw/zinc/99/32/01/847993201.db2.gz MCMNGQKJDYMIGK-OAHLLOKOSA-N 1 2 424.457 4.069 20 5 HIBDLO C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccc(Br)cc1 ZINC000032479984 848036894 /nfs/dbraw/zinc/03/68/94/848036894.db2.gz NXMNMHWFMVVJDL-LBPRGKRZSA-N 1 2 415.247 4.034 20 5 HIBDLO O=C(Nc1ccc(Oc2ccncc2)cc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000050491277 849388153 /nfs/dbraw/zinc/38/81/53/849388153.db2.gz SWFKWZMGQUBWDA-UHFFFAOYSA-N 1 2 401.382 4.220 20 5 HIBDLO O=C(c1ccc([N+](=O)[O-])s1)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000052741127 849621366 /nfs/dbraw/zinc/62/13/66/849621366.db2.gz QUKQXIGGLXXXJA-UHFFFAOYSA-N 1 2 405.479 4.184 20 5 HIBDLO C[C@H](c1nnc(SCc2csc([N+](=O)[O-])c2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000054426569 849864870 /nfs/dbraw/zinc/86/48/70/849864870.db2.gz ARUWFJFYHDDYFW-LLVKDONJSA-N 1 2 407.496 4.291 20 5 HIBDLO O=C(C[N@@H+](Cc1cccc(F)c1)C[C@@H]1CCCO1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000072050102 852486286 /nfs/dbraw/zinc/48/62/86/852486286.db2.gz LNVMAGWSFRTCNC-KRWDZBQOSA-N 1 2 421.856 4.007 20 5 HIBDLO O=C(C[N@H+](Cc1cccc(F)c1)C[C@@H]1CCCO1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000072050102 852486297 /nfs/dbraw/zinc/48/62/97/852486297.db2.gz LNVMAGWSFRTCNC-KRWDZBQOSA-N 1 2 421.856 4.007 20 5 HIBDLO O=C(Nc1ncccc1OCC1CCCCC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000072056793 852490246 /nfs/dbraw/zinc/49/02/46/852490246.db2.gz BQIYWOPHTXGKNH-UHFFFAOYSA-N 1 2 421.457 4.387 20 5 HIBDLO COc1cc(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)c([N+](=O)[O-])cc1OC ZINC000195623047 853721748 /nfs/dbraw/zinc/72/17/48/853721748.db2.gz RXANCMWLOWELIN-UHFFFAOYSA-N 1 2 422.441 4.064 20 5 HIBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000216988064 853859565 /nfs/dbraw/zinc/85/95/65/853859565.db2.gz RFWCLIPBFXDLKE-INIZCTEOSA-N 1 2 414.531 4.167 20 5 HIBDLO COc1ccc(-c2ccc(C[NH2+][C@@H]3CCCn4nc(C(C)C)nc43)o2)c([N+](=O)[O-])c1 ZINC000237424727 854030935 /nfs/dbraw/zinc/03/09/35/854030935.db2.gz XOOJJRKHFJXARN-QGZVFWFLSA-N 1 2 411.462 4.203 20 5 HIBDLO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]Cc3cnn(Cc4ccccc4)c3)cs2)c1 ZINC000238009483 854132793 /nfs/dbraw/zinc/13/27/93/854132793.db2.gz IIUOAXBSYIXADR-UHFFFAOYSA-N 1 2 405.483 4.253 20 5 HIBDLO Cc1nc(Sc2nnc(C[NH+]3CCCCC3)n2-c2ccccc2)ccc1[N+](=O)[O-] ZINC000301622585 854432381 /nfs/dbraw/zinc/43/23/81/854432381.db2.gz FVBYPKIOBUXBKE-UHFFFAOYSA-N 1 2 410.503 4.016 20 5 HIBDLO C[C@@H](c1nnc(Sc2c(F)cc([N+](=O)[O-])cc2F)n1-c1ccc(F)cc1)[NH+](C)C ZINC000301805866 854468162 /nfs/dbraw/zinc/46/81/62/854468162.db2.gz VZPIIXPWNXCAPM-JTQLQIEISA-N 1 2 423.420 4.367 20 5 HIBDLO O=C(NCc1ccccc1[N+](=O)[O-])NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000410132486 855833551 /nfs/dbraw/zinc/83/35/51/855833551.db2.gz DFPVNVCSFRGKTL-SFHVURJKSA-N 1 2 420.872 4.024 20 5 HIBDLO C[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000437574645 862894295 /nfs/dbraw/zinc/89/42/95/862894295.db2.gz DESHEZAUCLKUDA-IFXJQAMLSA-N 1 2 408.483 4.492 20 5 HIBDLO C[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@H+]1CC[C@@H]1c1ccccc1 ZINC000437574645 862894297 /nfs/dbraw/zinc/89/42/97/862894297.db2.gz DESHEZAUCLKUDA-IFXJQAMLSA-N 1 2 408.483 4.492 20 5 HIBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000429171710 857540348 /nfs/dbraw/zinc/54/03/48/857540348.db2.gz OKDCMBSNUCWPFH-INIZCTEOSA-N 1 2 421.906 4.062 20 5 HIBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000429171710 857540362 /nfs/dbraw/zinc/54/03/62/857540362.db2.gz OKDCMBSNUCWPFH-INIZCTEOSA-N 1 2 421.906 4.062 20 5 HIBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCN(c2cccc(F)c2)C[C@H]1C ZINC000429261291 857580704 /nfs/dbraw/zinc/58/07/04/857580704.db2.gz FFKTZXPQCIIINK-CABCVRRESA-N 1 2 411.437 4.056 20 5 HIBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCN(c2cccc(F)c2)C[C@H]1C ZINC000429261291 857580711 /nfs/dbraw/zinc/58/07/11/857580711.db2.gz FFKTZXPQCIIINK-CABCVRRESA-N 1 2 411.437 4.056 20 5 HIBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCN(c2cccc(F)c2)C[C@H]1C ZINC000429261293 857580736 /nfs/dbraw/zinc/58/07/36/857580736.db2.gz FFKTZXPQCIIINK-HUUCEWRRSA-N 1 2 411.437 4.056 20 5 HIBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCN(c2cccc(F)c2)C[C@H]1C ZINC000429261293 857580742 /nfs/dbraw/zinc/58/07/42/857580742.db2.gz FFKTZXPQCIIINK-HUUCEWRRSA-N 1 2 411.437 4.056 20 5 HIBDLO Cc1cc(OCC(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)ccc1[N+](=O)[O-] ZINC000430408683 858148456 /nfs/dbraw/zinc/14/84/56/858148456.db2.gz ZVHRHMPJPUHMQY-UHFFFAOYSA-N 1 2 406.442 4.121 20 5 HIBDLO CCCN(C(=O)c1cccs1)C1CC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000431169931 858484760 /nfs/dbraw/zinc/48/47/60/858484760.db2.gz UXWFSXJLYKLZGJ-UHFFFAOYSA-N 1 2 405.495 4.312 20 5 HIBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCCC[C@@H]1c1ccc(F)cc1F ZINC000432842764 859383878 /nfs/dbraw/zinc/38/38/78/859383878.db2.gz LNQTZNQCWHSLTR-GOSISDBHSA-N 1 2 412.396 4.426 20 5 HIBDLO Cc1ccc([C@@H](C)NC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1[N+](=O)[O-] ZINC000434281112 860249548 /nfs/dbraw/zinc/24/95/48/860249548.db2.gz PSBKWUVLUWEVHU-MRXNPFEDSA-N 1 2 411.506 4.086 20 5 HIBDLO COc1ccc(Br)cc1C[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000434831155 860511240 /nfs/dbraw/zinc/51/12/40/860511240.db2.gz MOXCKJXPMZXNAJ-UHFFFAOYSA-N 1 2 406.236 4.139 20 5 HIBDLO COc1ccc(Br)cc1C[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000434831155 860511246 /nfs/dbraw/zinc/51/12/46/860511246.db2.gz MOXCKJXPMZXNAJ-UHFFFAOYSA-N 1 2 406.236 4.139 20 5 HIBDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@H](C)C1 ZINC000441261122 866337402 /nfs/dbraw/zinc/33/74/02/866337402.db2.gz NIDMFOQFGUTCKG-QGZVFWFLSA-N 1 2 412.490 4.040 20 5 HIBDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@H](C)C1 ZINC000441261122 866337415 /nfs/dbraw/zinc/33/74/15/866337415.db2.gz NIDMFOQFGUTCKG-QGZVFWFLSA-N 1 2 412.490 4.040 20 5 HIBDLO CCO[C@@H](C)c1nc(CN2CC[NH+]([C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)cs1 ZINC000441346423 866417194 /nfs/dbraw/zinc/41/71/94/866417194.db2.gz ADFPMYHFXHTXAX-HOTGVXAUSA-N 1 2 404.536 4.028 20 5 HIBDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000441486675 866569241 /nfs/dbraw/zinc/56/92/41/866569241.db2.gz FFAXVDZTNFCRHF-LAUBAEHRSA-N 1 2 424.526 4.446 20 5 HIBDLO O=C(c1ccccc1Sc1ccccc1[N+](=O)[O-])N1CCC(n2cc[nH+]c2)CC1 ZINC000442007647 867061694 /nfs/dbraw/zinc/06/16/94/867061694.db2.gz VVJFDTQUCGPXFJ-UHFFFAOYSA-N 1 2 408.483 4.420 20 5 HIBDLO O=C(Nc1cc(F)cc(Br)c1F)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000468190296 882066501 /nfs/dbraw/zinc/06/65/01/882066501.db2.gz ZYRSMUXWRDTTIL-UHFFFAOYSA-N 1 2 423.173 4.074 20 5 HIBDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)Nc3c(C)ccc([N+](=O)[O-])c3C)CC2)c1 ZINC000443953368 868489703 /nfs/dbraw/zinc/48/97/03/868489703.db2.gz SWWYHYCYWGTWJK-QGZVFWFLSA-N 1 2 412.490 4.131 20 5 HIBDLO Cc1cc(Br)ccc1C[N@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000444698927 868962496 /nfs/dbraw/zinc/96/24/96/868962496.db2.gz DJRWWHCSLZZINL-UHFFFAOYSA-N 1 2 417.263 4.348 20 5 HIBDLO Cc1cc(Br)ccc1C[N@@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000444698927 868962499 /nfs/dbraw/zinc/96/24/99/868962499.db2.gz DJRWWHCSLZZINL-UHFFFAOYSA-N 1 2 417.263 4.348 20 5 HIBDLO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000444824843 869033501 /nfs/dbraw/zinc/03/35/01/869033501.db2.gz IAPSODVCVFZCFG-NRFANRHFSA-N 1 2 415.493 4.231 20 5 HIBDLO O=C([C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccccc1)N1CCCCC1 ZINC000447398573 871309296 /nfs/dbraw/zinc/30/92/96/871309296.db2.gz SJDPCENPCFLVTB-IBGZPJMESA-N 1 2 421.419 4.457 20 5 HIBDLO Cc1cc(S(=O)(=O)Nc2cccc3c2C[N@H+]([C@H](C)C(C)C)C3)ccc1[N+](=O)[O-] ZINC000462352445 875466511 /nfs/dbraw/zinc/46/65/11/875466511.db2.gz NJQDWFYPLHGXJI-OAHLLOKOSA-N 1 2 403.504 4.064 20 5 HIBDLO Cc1cc(S(=O)(=O)Nc2cccc3c2C[N@@H+]([C@H](C)C(C)C)C3)ccc1[N+](=O)[O-] ZINC000462352445 875466517 /nfs/dbraw/zinc/46/65/17/875466517.db2.gz NJQDWFYPLHGXJI-OAHLLOKOSA-N 1 2 403.504 4.064 20 5 HIBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000463947956 877069173 /nfs/dbraw/zinc/06/91/73/877069173.db2.gz FIEBBTZBBLPZBO-TZIWHRDSSA-N 1 2 405.458 4.458 20 5 HIBDLO O=[N+]([O-])c1ccc(OC2CC[NH+](Cc3nc(-c4cccc(Cl)c4)no3)CC2)cc1 ZINC000464776963 878019609 /nfs/dbraw/zinc/01/96/09/878019609.db2.gz LPOSNSWFLNRLMZ-UHFFFAOYSA-N 1 2 414.849 4.342 20 5 HIBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCN(C(=O)Cc2cccc(Cl)c2)[C@@H](C)C1 ZINC000464777538 878020654 /nfs/dbraw/zinc/02/06/54/878020654.db2.gz VFTBNHCESHDNPR-HOTGVXAUSA-N 1 2 401.894 4.085 20 5 HIBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCN(C(=O)Cc2cccc(Cl)c2)[C@@H](C)C1 ZINC000464777538 878020675 /nfs/dbraw/zinc/02/06/75/878020675.db2.gz VFTBNHCESHDNPR-HOTGVXAUSA-N 1 2 401.894 4.085 20 5 HIBDLO C[C@@H](c1nc(Cc2ccccc2)no1)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464784146 878029450 /nfs/dbraw/zinc/02/94/50/878029450.db2.gz VXLMPFKZAKXWQN-INIZCTEOSA-N 1 2 408.458 4.173 20 5 HIBDLO C[C@H](c1nc(Cc2ccccc2)no1)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464784147 878030194 /nfs/dbraw/zinc/03/01/94/878030194.db2.gz VXLMPFKZAKXWQN-MRXNPFEDSA-N 1 2 408.458 4.173 20 5 HIBDLO O=C(NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000466990815 880803485 /nfs/dbraw/zinc/80/34/85/880803485.db2.gz AFYXZCQUGISCCK-KRWDZBQOSA-N 1 2 409.820 4.093 20 5 HIBDLO C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccc(-c2ccncc2)cc1 ZINC000470187098 884478899 /nfs/dbraw/zinc/47/88/99/884478899.db2.gz FHZLAJBDRZSRTM-MRXNPFEDSA-N 1 2 413.437 4.334 20 5 HIBDLO C[C@@]1(O)CCC[N@@H+]([C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CC1 ZINC000471074076 885594587 /nfs/dbraw/zinc/59/45/87/885594587.db2.gz ZVNFMCFNHBDCTJ-TZIWHRDSSA-N 1 2 417.893 4.165 20 5 HIBDLO C[C@@]1(O)CCC[N@H+]([C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CC1 ZINC000471074076 885594605 /nfs/dbraw/zinc/59/46/05/885594605.db2.gz ZVNFMCFNHBDCTJ-TZIWHRDSSA-N 1 2 417.893 4.165 20 5 HIBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000471989191 886815275 /nfs/dbraw/zinc/81/52/75/886815275.db2.gz RVUDWSMHTJYJCZ-APWZRJJASA-N 1 2 404.417 4.057 20 5 HIBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000471989191 886815277 /nfs/dbraw/zinc/81/52/77/886815277.db2.gz RVUDWSMHTJYJCZ-APWZRJJASA-N 1 2 404.417 4.057 20 5 HIBDLO C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)Cc1cc2ccccc2o1 ZINC000472273687 887088167 /nfs/dbraw/zinc/08/81/67/887088167.db2.gz GNGPYQALUGYBDH-UHFFFAOYSA-N 1 2 418.247 4.174 20 5 HIBDLO C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)Cc1cc2ccccc2o1 ZINC000472273687 887088182 /nfs/dbraw/zinc/08/81/82/887088182.db2.gz GNGPYQALUGYBDH-UHFFFAOYSA-N 1 2 418.247 4.174 20 5 HIBDLO COC(=O)c1nc([C@H]2CCC[N@@H+]2C/C(C)=C/c2cccc([N+](=O)[O-])c2)sc1C ZINC000475331384 890249775 /nfs/dbraw/zinc/24/97/75/890249775.db2.gz LFPANCBCBWHLFF-JIIJFUIFSA-N 1 2 401.488 4.387 20 5 HIBDLO COC(=O)c1nc([C@H]2CCC[N@H+]2C/C(C)=C/c2cccc([N+](=O)[O-])c2)sc1C ZINC000475331384 890249793 /nfs/dbraw/zinc/24/97/93/890249793.db2.gz LFPANCBCBWHLFF-JIIJFUIFSA-N 1 2 401.488 4.387 20 5 HIBDLO Cc1c(Cl)cc(S(=O)(=O)N(Cc2ccccc2)c2cc[nH+]cc2)cc1[N+](=O)[O-] ZINC000475403095 890332378 /nfs/dbraw/zinc/33/23/78/890332378.db2.gz GWUHOVVWUBBIPE-UHFFFAOYSA-N 1 2 417.874 4.347 20 5 HIBDLO CC[C@@H]1C[N@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C[C@]2(CCOC2)O1 ZINC000475616751 890548842 /nfs/dbraw/zinc/54/88/42/890548842.db2.gz HMUFDXBOYHTKCB-GCJKJVERSA-N 1 2 416.449 4.296 20 5 HIBDLO CC[C@@H]1C[N@@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C[C@]2(CCOC2)O1 ZINC000475616751 890548846 /nfs/dbraw/zinc/54/88/46/890548846.db2.gz HMUFDXBOYHTKCB-GCJKJVERSA-N 1 2 416.449 4.296 20 5 HIBDLO Cn1ccnc1C(=O)c1ccc(Nc2ccc(NC3CCCC3)[nH+]c2)c([N+](=O)[O-])c1 ZINC000480485634 895861291 /nfs/dbraw/zinc/86/12/91/895861291.db2.gz UOPRXOGHEKNMKH-UHFFFAOYSA-N 1 2 406.446 4.052 20 5 HIBDLO C[C@H]1C[N@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C[C@]2(CCCOC2)O1 ZINC000482457338 898027290 /nfs/dbraw/zinc/02/72/90/898027290.db2.gz UUPVMGPJIPMNJR-AOMKIAJQSA-N 1 2 416.449 4.296 20 5 HIBDLO C[C@H]1C[N@@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C[C@]2(CCCOC2)O1 ZINC000482457338 898027305 /nfs/dbraw/zinc/02/73/05/898027305.db2.gz UUPVMGPJIPMNJR-AOMKIAJQSA-N 1 2 416.449 4.296 20 5 HIBDLO COc1cc(C[NH2+][C@H](CO)c2ccc(Cl)cc2C(F)(F)F)c([N+](=O)[O-])cc1F ZINC000483235745 898879986 /nfs/dbraw/zinc/87/99/86/898879986.db2.gz LZFCLXVNSOJFSY-CQSZACIVSA-N 1 2 422.762 4.238 20 5 HIBDLO COc1cc(C[NH2+]C(C)(C)c2nc(C)c(C)s2)c([N+](=O)[O-])cc1OCC(F)F ZINC000505596363 914300782 /nfs/dbraw/zinc/30/07/82/914300782.db2.gz LICDGARATQHDHZ-UHFFFAOYSA-N 1 2 415.462 4.346 20 5 HIBDLO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000505729256 914409411 /nfs/dbraw/zinc/40/94/11/914409411.db2.gz KGMBEVHZRLZPMS-UHFFFAOYSA-N 1 2 424.526 4.314 20 5 HIBDLO C[C@H]1CCCN(c2ccc(C(=O)Nc3cccc(-n4cc[nH+]c4)c3)cc2[N+](=O)[O-])C1 ZINC000485223791 900509501 /nfs/dbraw/zinc/50/95/01/900509501.db2.gz OEJXFRAPVNYUQE-INIZCTEOSA-N 1 2 405.458 4.269 20 5 HIBDLO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCO[C@@H](COCC4CC4)C3)o2)c(Cl)c1 ZINC000485692730 900942190 /nfs/dbraw/zinc/94/21/90/900942190.db2.gz HSMXNCYCBYLQMK-QGZVFWFLSA-N 1 2 406.866 4.136 20 5 HIBDLO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCO[C@@H](COCC4CC4)C3)o2)c(Cl)c1 ZINC000485692730 900942202 /nfs/dbraw/zinc/94/22/02/900942202.db2.gz HSMXNCYCBYLQMK-QGZVFWFLSA-N 1 2 406.866 4.136 20 5 HIBDLO C[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1nc(C(F)(F)F)cs1 ZINC000490044659 903740209 /nfs/dbraw/zinc/74/02/09/903740209.db2.gz MKZYFYSFJMZQQI-SSDOTTSWSA-N 1 2 408.789 4.013 20 5 HIBDLO C[C@@H]([NH2+][C@H](C)c1nc(C(F)(F)F)cs1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000490077000 903760713 /nfs/dbraw/zinc/76/07/13/903760713.db2.gz CTEJMBVEIAHOCV-HTQZYQBOSA-N 1 2 422.816 4.401 20 5 HIBDLO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1nc(C(F)(F)F)cs1 ZINC000490077001 903761552 /nfs/dbraw/zinc/76/15/52/903761552.db2.gz CTEJMBVEIAHOCV-JGVFFNPUSA-N 1 2 422.816 4.401 20 5 HIBDLO CCOc1ccc([C@@H]2CCCN2C(=O)C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000490145986 903791515 /nfs/dbraw/zinc/79/15/15/903791515.db2.gz NMHDRDPIANFNNH-QHCPKHFHSA-N 1 2 423.513 4.322 20 5 HIBDLO CCOc1ccc([C@@H]2CCCN2C(=O)C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000490145986 903791521 /nfs/dbraw/zinc/79/15/21/903791521.db2.gz NMHDRDPIANFNNH-QHCPKHFHSA-N 1 2 423.513 4.322 20 5 HIBDLO O=[N+]([O-])c1cccc([C@H]([NH2+]Cc2ccncc2OC[C@@H]2CCOC2)c2ccccc2)c1 ZINC000490364971 903958130 /nfs/dbraw/zinc/95/81/30/903958130.db2.gz IXZKUVUBDFSKFL-HOYKHHGWSA-N 1 2 419.481 4.284 20 5 HIBDLO O=C(NCC[C@@H](c1ccccc1)C(F)(F)F)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000490874384 904298822 /nfs/dbraw/zinc/29/88/22/904298822.db2.gz FEUVWPTVGOMEQO-INIZCTEOSA-N 1 2 418.375 4.247 20 5 HIBDLO COc1cc(CNc2ccc(N3CCCCC3)c[nH+]2)c([N+](=O)[O-])cc1OCC(F)F ZINC000492049777 904776712 /nfs/dbraw/zinc/77/67/12/904776712.db2.gz YAKAPMQRRRIUCS-UHFFFAOYSA-N 1 2 422.432 4.245 20 5 HIBDLO COc1cc(C[N@@H+]2CCC[C@H](NC(=O)c3ccc4ccccc4c3)C2)ccc1[N+](=O)[O-] ZINC000492849780 904924978 /nfs/dbraw/zinc/92/49/78/904924978.db2.gz DDMFVGMAONPPAT-NRFANRHFSA-N 1 2 419.481 4.151 20 5 HIBDLO COc1cc(C[N@H+]2CCC[C@H](NC(=O)c3ccc4ccccc4c3)C2)ccc1[N+](=O)[O-] ZINC000492849780 904925003 /nfs/dbraw/zinc/92/50/03/904925003.db2.gz DDMFVGMAONPPAT-NRFANRHFSA-N 1 2 419.481 4.151 20 5 HIBDLO Cc1sc(C(=O)N[C@H]2CC[N@@H+](C(C)C)[C@H]2c2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000494149228 905487918 /nfs/dbraw/zinc/48/79/18/905487918.db2.gz MZMRLAMYPKKCFP-YJBOKZPZSA-N 1 2 409.458 4.197 20 5 HIBDLO Cc1sc(C(=O)N[C@H]2CC[N@H+](C(C)C)[C@H]2c2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000494149228 905487929 /nfs/dbraw/zinc/48/79/29/905487929.db2.gz MZMRLAMYPKKCFP-YJBOKZPZSA-N 1 2 409.458 4.197 20 5 HIBDLO COc1cc(C[NH2+]Cc2nc(C(C)C)c(C)s2)c([N+](=O)[O-])cc1OCC(F)F ZINC000494612265 905861821 /nfs/dbraw/zinc/86/18/21/905861821.db2.gz AWBGNAKCLWQBLW-UHFFFAOYSA-N 1 2 415.462 4.425 20 5 HIBDLO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000512494769 921199525 /nfs/dbraw/zinc/19/95/25/921199525.db2.gz SEIDAVWRLSBRCG-QGZVFWFLSA-N 1 2 405.857 4.263 20 5 HIBDLO Cc1ccc(Cc2ccccn2)cc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000512757067 921302528 /nfs/dbraw/zinc/30/25/28/921302528.db2.gz DAQNXBZPBKHMCL-UHFFFAOYSA-N 1 2 413.437 4.327 20 5 HIBDLO O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000498047061 907557215 /nfs/dbraw/zinc/55/72/15/907557215.db2.gz NIOGFYWHTALFQO-UHFFFAOYSA-N 1 2 408.285 4.250 20 5 HIBDLO O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000498047061 907557238 /nfs/dbraw/zinc/55/72/38/907557238.db2.gz NIOGFYWHTALFQO-UHFFFAOYSA-N 1 2 408.285 4.250 20 5 HIBDLO COc1cccc(C2(F)CC[NH+](CC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])CC2)c1 ZINC000500160769 909641050 /nfs/dbraw/zinc/64/10/50/909641050.db2.gz CXVACDSZJHCMRY-UHFFFAOYSA-N 1 2 421.856 4.156 20 5 HIBDLO Cc1ccc(C[N@H+](C)CC(=O)Nc2ccc(Br)cc2C)cc1[N+](=O)[O-] ZINC000506779216 915501645 /nfs/dbraw/zinc/50/16/45/915501645.db2.gz SNCAOEMLOSQENK-UHFFFAOYSA-N 1 2 406.280 4.045 20 5 HIBDLO Cc1ccc(C[N@@H+](C)CC(=O)Nc2ccc(Br)cc2C)cc1[N+](=O)[O-] ZINC000506779216 915501679 /nfs/dbraw/zinc/50/16/79/915501679.db2.gz SNCAOEMLOSQENK-UHFFFAOYSA-N 1 2 406.280 4.045 20 5 HIBDLO Cc1ccccc1[C@H]1CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000507219930 915972914 /nfs/dbraw/zinc/97/29/14/915972914.db2.gz RUYOZSKYIAQFTF-AWEZNQCLSA-N 1 2 418.291 4.094 20 5 HIBDLO Cc1ccccc1[C@H]1CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000507219930 915972930 /nfs/dbraw/zinc/97/29/30/915972930.db2.gz RUYOZSKYIAQFTF-AWEZNQCLSA-N 1 2 418.291 4.094 20 5 HIBDLO CC(C)[N@@H+]1CC[C@@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000507361669 916115903 /nfs/dbraw/zinc/11/59/03/916115903.db2.gz MTPQICOQXLINAB-RTBURBONSA-N 1 2 421.856 4.047 20 5 HIBDLO CC(C)[N@H+]1CC[C@@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000507361669 916115926 /nfs/dbraw/zinc/11/59/26/916115926.db2.gz MTPQICOQXLINAB-RTBURBONSA-N 1 2 421.856 4.047 20 5 HIBDLO O=[N+]([O-])c1cc(C[NH+]2CCC(O)(C(F)(F)F)CC2)ccc1Oc1ccc(F)cc1 ZINC000508668159 917434146 /nfs/dbraw/zinc/43/41/46/917434146.db2.gz DIFKAJTVKIXWLE-UHFFFAOYSA-N 1 2 414.355 4.415 20 5 HIBDLO COc1ccc2[nH]cc(C3=CC[N@@H+]([C@H](C)C(=O)Nc4ccccc4[N+](=O)[O-])CC3)c2c1 ZINC000509558082 918209135 /nfs/dbraw/zinc/20/91/35/918209135.db2.gz PKNSKDRYNGTTRK-OAHLLOKOSA-N 1 2 420.469 4.201 20 5 HIBDLO COc1ccc2[nH]cc(C3=CC[N@H+]([C@H](C)C(=O)Nc4ccccc4[N+](=O)[O-])CC3)c2c1 ZINC000509558082 918209148 /nfs/dbraw/zinc/20/91/48/918209148.db2.gz PKNSKDRYNGTTRK-OAHLLOKOSA-N 1 2 420.469 4.201 20 5 HIBDLO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000509779357 918390013 /nfs/dbraw/zinc/39/00/13/918390013.db2.gz ACESKJWGRSDUPN-UHFFFAOYSA-N 1 2 411.437 4.040 20 5 HIBDLO Cn1ccnc1[C@@H]([NH2+]CCOc1ccc2ccccc2c1)c1cccc([N+](=O)[O-])c1 ZINC000513656647 921977849 /nfs/dbraw/zinc/97/78/49/921977849.db2.gz WCXQAHOUDWCJOV-QFIPXVFZSA-N 1 2 402.454 4.240 20 5 HIBDLO Cn1ccnc1[C@H]([NH2+]CCSc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000513763308 922081894 /nfs/dbraw/zinc/08/18/94/922081894.db2.gz XCXCFQQYTYBKEL-GOSISDBHSA-N 1 2 402.907 4.453 20 5 HIBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N(Cc1ccco1)c1ccc(F)cc1F ZINC000515622215 923221574 /nfs/dbraw/zinc/22/15/74/923221574.db2.gz HRUBNBIZSGFCQO-UHFFFAOYSA-N 1 2 424.363 4.499 20 5 HIBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000520838494 928839219 /nfs/dbraw/zinc/83/92/19/928839219.db2.gz CNSKVYAHWKNRDH-SFHVURJKSA-N 1 2 405.857 4.263 20 5 HIBDLO Cn1cc(C[N@@H+]2CC[C@@](F)(c3cc(F)cc(F)c3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000521667997 929356764 /nfs/dbraw/zinc/35/67/64/929356764.db2.gz PIRATUAQBWBMFA-NRFANRHFSA-N 1 2 416.403 4.344 20 5 HIBDLO Cn1cc(C[N@H+]2CC[C@@](F)(c3cc(F)cc(F)c3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000521667997 929356777 /nfs/dbraw/zinc/35/67/77/929356777.db2.gz PIRATUAQBWBMFA-NRFANRHFSA-N 1 2 416.403 4.344 20 5 HIBDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000524584445 929699212 /nfs/dbraw/zinc/69/92/12/929699212.db2.gz ALNNOUFAGMZVPX-UHFFFAOYSA-N 1 2 411.483 4.202 20 5 HIBDLO C[C@H](c1cccs1)[N@H+](C)CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000532473209 931452608 /nfs/dbraw/zinc/45/26/08/931452608.db2.gz ISNPRAAVBKIQLR-GFCCVEGCSA-N 1 2 402.501 4.411 20 5 HIBDLO C[C@H](c1cccs1)[N@@H+](C)CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000532473209 931452609 /nfs/dbraw/zinc/45/26/09/931452609.db2.gz ISNPRAAVBKIQLR-GFCCVEGCSA-N 1 2 402.501 4.411 20 5 HIBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000532694778 931589271 /nfs/dbraw/zinc/58/92/71/931589271.db2.gz PFGZZTLUDYCMNV-AWEZNQCLSA-N 1 2 413.865 4.181 20 5 HIBDLO COc1ccc(NC(=O)C[N@H+](Cc2ccccc2C(F)(F)F)C2CC2)c([N+](=O)[O-])c1 ZINC000533240395 931816142 /nfs/dbraw/zinc/81/61/42/931816142.db2.gz BKNFOIRHSSQFCN-UHFFFAOYSA-N 1 2 423.391 4.225 20 5 HIBDLO COc1ccc(NC(=O)C[N@@H+](Cc2ccccc2C(F)(F)F)C2CC2)c([N+](=O)[O-])c1 ZINC000533240395 931816143 /nfs/dbraw/zinc/81/61/43/931816143.db2.gz BKNFOIRHSSQFCN-UHFFFAOYSA-N 1 2 423.391 4.225 20 5 HIBDLO Cc1c(NC(=O)CC[N@H+]2C[C@@H](c3ccccc3Cl)OC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000533441413 931870098 /nfs/dbraw/zinc/87/00/98/931870098.db2.gz ALJRORNOZBXVDZ-XOBRGWDASA-N 1 2 417.893 4.347 20 5 HIBDLO Cc1c(NC(=O)CC[N@@H+]2C[C@@H](c3ccccc3Cl)OC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000533441413 931870104 /nfs/dbraw/zinc/87/01/04/931870104.db2.gz ALJRORNOZBXVDZ-XOBRGWDASA-N 1 2 417.893 4.347 20 5 HIBDLO C[N@@H+]1CC[C@@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000533680999 931967106 /nfs/dbraw/zinc/96/71/06/931967106.db2.gz JKEXEHJELWPIQB-NVXWUHKLSA-N 1 2 412.248 4.216 20 5 HIBDLO C[N@H+]1CC[C@@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000533680999 931967111 /nfs/dbraw/zinc/96/71/11/931967111.db2.gz JKEXEHJELWPIQB-NVXWUHKLSA-N 1 2 412.248 4.216 20 5 HIBDLO O=C(c1ccc(F)cc1)[C@H]1CCC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000534123179 932288548 /nfs/dbraw/zinc/28/85/48/932288548.db2.gz GFKYMFLKLSXJFJ-KRWDZBQOSA-N 1 2 409.417 4.484 20 5 HIBDLO O=C(c1ccc(F)cc1)[C@H]1CCC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000534123179 932288553 /nfs/dbraw/zinc/28/85/53/932288553.db2.gz GFKYMFLKLSXJFJ-KRWDZBQOSA-N 1 2 409.417 4.484 20 5 HIBDLO COc1ccc(NC(=O)C[N@H+](C)[C@@H](C)c2sc(C(C)C)nc2C)c([N+](=O)[O-])c1 ZINC000535213192 933019704 /nfs/dbraw/zinc/01/97/04/933019704.db2.gz UKWFCTIXGLTKGP-ZDUSSCGKSA-N 1 2 406.508 4.123 20 5 HIBDLO COc1ccc(NC(=O)C[N@@H+](C)[C@@H](C)c2sc(C(C)C)nc2C)c([N+](=O)[O-])c1 ZINC000535213192 933019706 /nfs/dbraw/zinc/01/97/06/933019706.db2.gz UKWFCTIXGLTKGP-ZDUSSCGKSA-N 1 2 406.508 4.123 20 5 HIBDLO CCNc1ccc(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)cc1[N+](=O)[O-] ZINC000535318337 933069424 /nfs/dbraw/zinc/06/94/24/933069424.db2.gz MBYCDMJEAPJIJU-UHFFFAOYSA-N 1 2 403.442 4.194 20 5 HIBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCOC3(CCOCC3)C2)ccc1Oc1ccccc1Cl ZINC000535824465 933417828 /nfs/dbraw/zinc/41/78/28/933417828.db2.gz FQZCZELETRLBGQ-UHFFFAOYSA-N 1 2 418.877 4.422 20 5 HIBDLO O=[N+]([O-])c1cc(C[N@H+]2CCOC3(CCOCC3)C2)ccc1Oc1ccccc1Cl ZINC000535824465 933417833 /nfs/dbraw/zinc/41/78/33/933417833.db2.gz FQZCZELETRLBGQ-UHFFFAOYSA-N 1 2 418.877 4.422 20 5 HIBDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)CCOc2cc(C)ccc2[N+](=O)[O-])c(C)c1 ZINC000537316595 933714747 /nfs/dbraw/zinc/71/47/47/933714747.db2.gz BSIAIGUYXRKBMR-HXUWFJFHSA-N 1 2 422.485 4.043 20 5 HIBDLO O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000537914709 938411122 /nfs/dbraw/zinc/41/11/22/938411122.db2.gz DCGISPYOFIJIPT-UHFFFAOYSA-N 1 2 422.407 4.319 20 5 HIBDLO COCCSc1ccc([C@H](C)[NH2+]Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000539306240 938837985 /nfs/dbraw/zinc/83/79/85/938837985.db2.gz NPGNWIMEHLMRBV-AWEZNQCLSA-N 1 2 414.487 4.234 20 5 HIBDLO C[C@H]([NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000540407543 939237425 /nfs/dbraw/zinc/23/74/25/939237425.db2.gz NNHFAZLVDUOEIC-GJZGRUSLSA-N 1 2 421.457 4.183 20 5 HIBDLO Cc1cc(N2CCC(CCCn3cc[nH+]c3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000541192308 939485015 /nfs/dbraw/zinc/48/50/15/939485015.db2.gz JUISXIMNAXQOOR-UHFFFAOYSA-N 1 2 406.490 4.254 20 5 HIBDLO CC(C)COC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccco1 ZINC000541626008 939574230 /nfs/dbraw/zinc/57/42/30/939574230.db2.gz CNBNGXOKLRIIFL-CXAGYDPISA-N 1 2 409.870 4.172 20 5 HIBDLO COc1ccc(NC(=O)C[NH2+][C@@H](C)c2nc(-c3ccccc3)cs2)c([N+](=O)[O-])c1 ZINC000541660220 939592617 /nfs/dbraw/zinc/59/26/17/939592617.db2.gz IFPDTYVDPFPLNO-ZDUSSCGKSA-N 1 2 412.471 4.016 20 5 HIBDLO O=C(NCCNc1cccc[nH+]1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000541755556 939621420 /nfs/dbraw/zinc/62/14/20/939621420.db2.gz UOBFORSDQKKSMW-UHFFFAOYSA-N 1 2 400.504 4.114 20 5 HIBDLO CC(C)(C)c1ccc(Oc2ccc(C[NH2+]Cc3cc(C(N)=O)no3)cc2[N+](=O)[O-])cc1 ZINC000542691639 939854545 /nfs/dbraw/zinc/85/45/45/939854545.db2.gz YVUGLXLRILGOJG-UHFFFAOYSA-N 1 2 424.457 4.061 20 5 HIBDLO CC[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1nc(C(F)(F)F)cs1 ZINC000543490834 940081995 /nfs/dbraw/zinc/08/19/95/940081995.db2.gz SVMSHJSVQOFGPG-SECBINFHSA-N 1 2 422.816 4.403 20 5 HIBDLO CN(CCCn1cc[nH+]c1)C(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000543583770 940119599 /nfs/dbraw/zinc/11/95/99/940119599.db2.gz VFSGTVSRPSECJI-UHFFFAOYSA-N 1 2 402.520 4.236 20 5 HIBDLO O=C(NCc1ccccc1-n1cc[nH+]c1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000544403454 940413523 /nfs/dbraw/zinc/41/35/23/940413523.db2.gz URZJYDBHAQOHKU-UHFFFAOYSA-N 1 2 405.336 4.121 20 5 HIBDLO O=[N+]([O-])c1cc(Br)cc(-c2nc(-c3cccc(-n4cc[nH+]c4)c3)no2)c1 ZINC000545694418 940581251 /nfs/dbraw/zinc/58/12/51/940581251.db2.gz CUVMZAAZFWCERG-UHFFFAOYSA-N 1 2 412.203 4.260 20 5 HIBDLO Cc1ccccc1NC(=O)Cc1nc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)cs1 ZINC000548934276 941130583 /nfs/dbraw/zinc/13/05/83/941130583.db2.gz YJJLDGKFYVQOCH-UHFFFAOYSA-N 1 2 424.526 4.215 20 5 HIBDLO Cc1ccccc1NC(=O)Cc1nc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)cs1 ZINC000548934276 941130584 /nfs/dbraw/zinc/13/05/84/941130584.db2.gz YJJLDGKFYVQOCH-UHFFFAOYSA-N 1 2 424.526 4.215 20 5 HIBDLO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](c1ccccc1)[N@@H+]1CCC[C@H](CO)CC1 ZINC000550489208 941332235 /nfs/dbraw/zinc/33/22/35/941332235.db2.gz DRWJFUNZZFWLIH-MGPUTAFESA-N 1 2 417.893 4.022 20 5 HIBDLO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](c1ccccc1)[N@H+]1CCC[C@H](CO)CC1 ZINC000550489208 941332239 /nfs/dbraw/zinc/33/22/39/941332239.db2.gz DRWJFUNZZFWLIH-MGPUTAFESA-N 1 2 417.893 4.022 20 5 HIBDLO C[C@@H](C[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)Oc1cccc(Cl)c1 ZINC000552276008 941620247 /nfs/dbraw/zinc/62/02/47/941620247.db2.gz HWUFEFDSUGDSTI-IFXJQAMLSA-N 1 2 400.866 4.128 20 5 HIBDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000558935322 943756184 /nfs/dbraw/zinc/75/61/84/943756184.db2.gz PPXLPPQDPKMSAN-QFIPXVFZSA-N 1 2 421.501 4.034 20 5 HIBDLO COc1cc([C@@H](C)[NH2+]Cc2cc(O)ccc2[N+](=O)[O-])ccc1OCc1ccncc1 ZINC000559147014 943853825 /nfs/dbraw/zinc/85/38/25/943853825.db2.gz KAYYRFHJIYYGDR-OAHLLOKOSA-N 1 2 409.442 4.134 20 5 HIBDLO Cc1cc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c(F)cc1Br ZINC000564219617 945437259 /nfs/dbraw/zinc/43/72/59/945437259.db2.gz BOPDGEBRLWKVKO-UHFFFAOYSA-N 1 2 419.210 4.243 20 5 HIBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000007350580 845314250 /nfs/dbraw/zinc/31/42/50/845314250.db2.gz DITQVQBDUUZGMV-CQSZACIVSA-N 1 2 413.865 4.181 20 5 HIBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000008262227 845502011 /nfs/dbraw/zinc/50/20/11/845502011.db2.gz OACBROZCNGXQEQ-HNNXBMFYSA-N 1 2 410.499 4.331 20 5 HIBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000008262227 845502018 /nfs/dbraw/zinc/50/20/18/845502018.db2.gz OACBROZCNGXQEQ-HNNXBMFYSA-N 1 2 410.499 4.331 20 5 HIBDLO O=C(Nc1ccc(OC(F)F)c(Cl)c1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000016005102 846111322 /nfs/dbraw/zinc/11/13/22/846111322.db2.gz KWZKFPWKBDDTDE-UHFFFAOYSA-N 1 2 408.748 4.288 20 5 HIBDLO Cc1ccc(C(=O)C2CC[NH+]([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)c(C)c1 ZINC000026639433 847178650 /nfs/dbraw/zinc/17/86/50/847178650.db2.gz JFTXUXLPUDPFIW-QGZVFWFLSA-N 1 2 409.486 4.134 20 5 HIBDLO Cc1ccc(C(=O)C2CC[NH+]([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)CC2)c(C)c1 ZINC000026645242 847180137 /nfs/dbraw/zinc/18/01/37/847180137.db2.gz FYDDKOBRKUVIDV-SFHVURJKSA-N 1 2 423.513 4.442 20 5 HIBDLO Cc1ccc(C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000028415932 847417702 /nfs/dbraw/zinc/41/77/02/847417702.db2.gz PQDPJKYILLJIJN-SFHVURJKSA-N 1 2 405.857 4.263 20 5 HIBDLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000436431838 861795250 /nfs/dbraw/zinc/79/52/50/861795250.db2.gz SPRDDHDJQFTERR-UHFFFAOYSA-N 1 2 418.522 4.376 20 5 HIBDLO O=C(NCC(c1ccccc1)c1ccccc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032251079 847995563 /nfs/dbraw/zinc/99/55/63/847995563.db2.gz NIRGWKMOYKRKON-UHFFFAOYSA-N 1 2 412.449 4.342 20 5 HIBDLO O=C(NCCCCOc1ccc(Cl)cc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000033223902 848128775 /nfs/dbraw/zinc/12/87/75/848128775.db2.gz JGKGPCFLGUSPHZ-UHFFFAOYSA-N 1 2 414.849 4.023 20 5 HIBDLO C[C@@H]1C[C@H]1c1ccc(CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C2CC2)o1 ZINC000041895169 848262610 /nfs/dbraw/zinc/26/26/10/848262610.db2.gz YLVVRINJJSPADA-RDTXWAMCSA-N 1 2 406.442 4.302 20 5 HIBDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)O1 ZINC000046342069 848826877 /nfs/dbraw/zinc/82/68/77/848826877.db2.gz VHPVPTSWJNVYOY-OKILXGFUSA-N 1 2 403.866 4.110 20 5 HIBDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)O1 ZINC000046342069 848826878 /nfs/dbraw/zinc/82/68/78/848826878.db2.gz VHPVPTSWJNVYOY-OKILXGFUSA-N 1 2 403.866 4.110 20 5 HIBDLO COc1c(C)c[nH+]c(CN(C)C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)c1C ZINC000050629875 849399703 /nfs/dbraw/zinc/39/97/03/849399703.db2.gz UWDVZICASSHHTC-UHFFFAOYSA-N 1 2 412.471 4.011 20 5 HIBDLO Cc1cc(Br)ccc1NC(=O)C[N@@H+](C)Cc1cccc([N+](=O)[O-])c1C ZINC000051559365 849485099 /nfs/dbraw/zinc/48/50/99/849485099.db2.gz BDQZXMMJAUQQSW-UHFFFAOYSA-N 1 2 406.280 4.045 20 5 HIBDLO Cc1cc(Br)ccc1NC(=O)C[N@H+](C)Cc1cccc([N+](=O)[O-])c1C ZINC000051559365 849485103 /nfs/dbraw/zinc/48/51/03/849485103.db2.gz BDQZXMMJAUQQSW-UHFFFAOYSA-N 1 2 406.280 4.045 20 5 HIBDLO CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000060447301 851102936 /nfs/dbraw/zinc/10/29/36/851102936.db2.gz VACPBEZKIBWZJB-UHFFFAOYSA-N 1 2 422.485 4.231 20 5 HIBDLO CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000063703165 851744348 /nfs/dbraw/zinc/74/43/48/851744348.db2.gz AEJVTHUMAZGZPS-UHFFFAOYSA-N 1 2 422.485 4.231 20 5 HIBDLO Cn1cc(C[NH2+][C@@H](c2nccs2)c2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237786025 854097175 /nfs/dbraw/zinc/09/71/75/854097175.db2.gz TUUKILKMXMKQSS-HXUWFJFHSA-N 1 2 405.483 4.331 20 5 HIBDLO Cc1ccc([N+](=O)[O-])c(Sc2nnc([C@@H](C)[NH+](C)C)n2-c2ccc(F)cc2)c1 ZINC000301538615 854416066 /nfs/dbraw/zinc/41/60/66/854416066.db2.gz BAFGQXBNQNWHKU-CYBMUJFWSA-N 1 2 401.467 4.397 20 5 HIBDLO CCOc1cc(N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)ccc1[N+](=O)[O-] ZINC000301969861 854507563 /nfs/dbraw/zinc/50/75/63/854507563.db2.gz CMPQTRYRUOEFKL-UXHICEINSA-N 1 2 405.882 4.131 20 5 HIBDLO CCOc1cc(N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)ccc1[N+](=O)[O-] ZINC000301969861 854507569 /nfs/dbraw/zinc/50/75/69/854507569.db2.gz CMPQTRYRUOEFKL-UXHICEINSA-N 1 2 405.882 4.131 20 5 HIBDLO O=C(C[N@@H+]1CCCC[C@H]1c1cc2ccccc2[nH]1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000303418562 854920729 /nfs/dbraw/zinc/92/07/29/854920729.db2.gz XPONBKKIHKESQH-NRFANRHFSA-N 1 2 404.470 4.192 20 5 HIBDLO O=C(C[N@H+]1CCCC[C@H]1c1cc2ccccc2[nH]1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000303418562 854920738 /nfs/dbraw/zinc/92/07/38/854920738.db2.gz XPONBKKIHKESQH-NRFANRHFSA-N 1 2 404.470 4.192 20 5 HIBDLO O=C(c1c([N+](=O)[O-])cccc1C(F)(F)F)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410280102 855899271 /nfs/dbraw/zinc/89/92/71/855899271.db2.gz UHUMACSNBFSORT-ZDUSSCGKSA-N 1 2 422.407 4.166 20 5 HIBDLO C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1nc(-c2ccccc2)cs1 ZINC000410305201 855917771 /nfs/dbraw/zinc/91/77/71/855917771.db2.gz UJTIZAJZEVPQHP-CQSZACIVSA-N 1 2 419.466 4.395 20 5 HIBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410330089 855932390 /nfs/dbraw/zinc/93/23/90/855932390.db2.gz WTDVKXSNJWGFHU-MOPGFXCFSA-N 1 2 410.518 4.103 20 5 HIBDLO C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@@H+]1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000428743257 857315282 /nfs/dbraw/zinc/31/52/82/857315282.db2.gz JNNRNGVFMBXLMM-DJCROIMJSA-N 1 2 422.457 4.022 20 5 HIBDLO C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@H+]1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000428743257 857315284 /nfs/dbraw/zinc/31/52/84/857315284.db2.gz JNNRNGVFMBXLMM-DJCROIMJSA-N 1 2 422.457 4.022 20 5 HIBDLO COc1ccc(NC(=O)C[N@@H+]2CC[C@H](Sc3cccc(Cl)c3)C2)c([N+](=O)[O-])c1 ZINC000429130921 857525228 /nfs/dbraw/zinc/52/52/28/857525228.db2.gz VUHGWKWVKGVHFT-INIZCTEOSA-N 1 2 421.906 4.062 20 5 HIBDLO COc1ccc(NC(=O)C[N@H+]2CC[C@H](Sc3cccc(Cl)c3)C2)c([N+](=O)[O-])c1 ZINC000429130921 857525236 /nfs/dbraw/zinc/52/52/36/857525236.db2.gz VUHGWKWVKGVHFT-INIZCTEOSA-N 1 2 421.906 4.062 20 5 HIBDLO NC(=O)c1ccc(C[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C2CC2)c(F)c1 ZINC000430100676 858032104 /nfs/dbraw/zinc/03/21/04/858032104.db2.gz MDHRYUXOLCRZHH-UHFFFAOYSA-N 1 2 409.417 4.257 20 5 HIBDLO NC(=O)c1ccc(C[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C2CC2)c(F)c1 ZINC000430100676 858032108 /nfs/dbraw/zinc/03/21/08/858032108.db2.gz MDHRYUXOLCRZHH-UHFFFAOYSA-N 1 2 409.417 4.257 20 5 HIBDLO COc1cc(C[N@H+](Cc2cnn(C)c2)Cc2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000430265361 858101757 /nfs/dbraw/zinc/10/17/57/858101757.db2.gz VAWVWPJLHBIBDA-UHFFFAOYSA-N 1 2 400.866 4.193 20 5 HIBDLO COc1cc(C[N@@H+](Cc2cnn(C)c2)Cc2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000430265361 858101762 /nfs/dbraw/zinc/10/17/62/858101762.db2.gz VAWVWPJLHBIBDA-UHFFFAOYSA-N 1 2 400.866 4.193 20 5 HIBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@H+](CCc3ccccn3)Cc3cccnc3)co2)cc1 ZINC000430341888 858127326 /nfs/dbraw/zinc/12/73/26/858127326.db2.gz WGRQSUXZHFIRRY-UHFFFAOYSA-N 1 2 415.453 4.285 20 5 HIBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+](CCc3ccccn3)Cc3cccnc3)co2)cc1 ZINC000430341888 858127330 /nfs/dbraw/zinc/12/73/30/858127330.db2.gz WGRQSUXZHFIRRY-UHFFFAOYSA-N 1 2 415.453 4.285 20 5 HIBDLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000430495019 858198852 /nfs/dbraw/zinc/19/88/52/858198852.db2.gz ZSWWUKBWZKRVCC-UHFFFAOYSA-N 1 2 420.488 4.132 20 5 HIBDLO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000432910119 859424610 /nfs/dbraw/zinc/42/46/10/859424610.db2.gz BMXJMBCYFGVUHK-UHFFFAOYSA-N 1 2 403.870 4.193 20 5 HIBDLO COc1ccccc1-c1noc(C2CC[NH+](Cc3csc([N+](=O)[O-])c3)CC2)n1 ZINC000433023299 859484824 /nfs/dbraw/zinc/48/48/24/859484824.db2.gz ONVABANLFYASEG-UHFFFAOYSA-N 1 2 400.460 4.095 20 5 HIBDLO CCCCn1c(SCc2nc3cc([N+](=O)[O-])ccc3o2)nnc1[C@H](CC)[NH+](C)C ZINC000434805243 860501013 /nfs/dbraw/zinc/50/10/13/860501013.db2.gz WGPSHJWWXXACQX-HNNXBMFYSA-N 1 2 418.523 4.433 20 5 HIBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000439868078 865176220 /nfs/dbraw/zinc/17/62/20/865176220.db2.gz DCHRDYCHIMOAMO-HXUWFJFHSA-N 1 2 423.473 4.370 20 5 HIBDLO COc1ccc(OCC[N@@H+]2CCCC[C@@H]2c2nc(-c3ccccc3)no2)c([N+](=O)[O-])c1 ZINC000441488805 866570925 /nfs/dbraw/zinc/57/09/25/866570925.db2.gz IEKYQKRUZBVTGE-GOSISDBHSA-N 1 2 424.457 4.259 20 5 HIBDLO COc1ccc(OCC[N@H+]2CCCC[C@@H]2c2nc(-c3ccccc3)no2)c([N+](=O)[O-])c1 ZINC000441488805 866570933 /nfs/dbraw/zinc/57/09/33/866570933.db2.gz IEKYQKRUZBVTGE-GOSISDBHSA-N 1 2 424.457 4.259 20 5 HIBDLO O=C(c1ccccc1Sc1ccccc1[N+](=O)[O-])N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000442742492 867660028 /nfs/dbraw/zinc/66/00/28/867660028.db2.gz PFRUCYYTIPDAIY-OAHLLOKOSA-N 1 2 408.483 4.489 20 5 HIBDLO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[N@@H+]2CCOC[C@]23CCOC3)cc1 ZINC000443062624 867806641 /nfs/dbraw/zinc/80/66/41/867806641.db2.gz LVTGAFAATIDFFQ-HXUWFJFHSA-N 1 2 404.850 4.032 20 5 HIBDLO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[N@H+]2CCOC[C@]23CCOC3)cc1 ZINC000443062624 867806645 /nfs/dbraw/zinc/80/66/45/867806645.db2.gz LVTGAFAATIDFFQ-HXUWFJFHSA-N 1 2 404.850 4.032 20 5 HIBDLO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](Oc3ccccc3Cl)C2)cccc1[N+](=O)[O-] ZINC000443657735 868259192 /nfs/dbraw/zinc/25/91/92/868259192.db2.gz UPEGVGKHFPQLOV-CABCVRRESA-N 1 2 403.866 4.037 20 5 HIBDLO Cc1c(NC(=O)[C@@H](C)[N@H+]2CC[C@H](Oc3ccccc3Cl)C2)cccc1[N+](=O)[O-] ZINC000443657735 868259213 /nfs/dbraw/zinc/25/92/13/868259213.db2.gz UPEGVGKHFPQLOV-CABCVRRESA-N 1 2 403.866 4.037 20 5 HIBDLO C[C@H]([NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1ccc(Br)s1 ZINC000444763425 868990784 /nfs/dbraw/zinc/99/07/84/868990784.db2.gz CXQSSPFWKZMUIM-VIFPVBQESA-N 1 2 409.265 4.320 20 5 HIBDLO O=C(NCCc1[nH]cc[nH+]1)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 ZINC000468808669 882870189 /nfs/dbraw/zinc/87/01/89/882870189.db2.gz CTTYBORAKUOUBK-UHFFFAOYSA-N 1 2 402.863 4.095 20 5 HIBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cccc2c1C[N@H+]([C@H](C)C(C)C)C2 ZINC000462378146 875489464 /nfs/dbraw/zinc/48/94/64/875489464.db2.gz DGOOEPGGMSZMQD-OAHLLOKOSA-N 1 2 403.504 4.064 20 5 HIBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cccc2c1C[N@@H+]([C@H](C)C(C)C)C2 ZINC000462378146 875489468 /nfs/dbraw/zinc/48/94/68/875489468.db2.gz DGOOEPGGMSZMQD-OAHLLOKOSA-N 1 2 403.504 4.064 20 5 HIBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000462925691 875954270 /nfs/dbraw/zinc/95/42/70/875954270.db2.gz UJYRVJSBFSSGDM-INIZCTEOSA-N 1 2 402.520 4.245 20 5 HIBDLO COc1ccc(C[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC2CC2)c(OC)c1 ZINC000503241035 912220164 /nfs/dbraw/zinc/22/01/64/912220164.db2.gz ZUQUDRZHUDUHJQ-UHFFFAOYSA-N 1 2 424.457 4.074 20 5 HIBDLO COc1ccc(C[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC2CC2)c(OC)c1 ZINC000503241035 912220186 /nfs/dbraw/zinc/22/01/86/912220186.db2.gz ZUQUDRZHUDUHJQ-UHFFFAOYSA-N 1 2 424.457 4.074 20 5 HIBDLO O=[N+]([O-])c1ccc(-c2ccc(CNc3cccc(CN4CCOCC4)[nH+]3)s2)cc1 ZINC000503271969 912256099 /nfs/dbraw/zinc/25/60/99/912256099.db2.gz XPFJXFWIVJRWAH-UHFFFAOYSA-N 1 2 410.499 4.163 20 5 HIBDLO COc1cc(COc2cccc(-n3cc[nH+]c3)c2)c([N+](=O)[O-])cc1OCC(F)F ZINC000503300368 912283047 /nfs/dbraw/zinc/28/30/47/912283047.db2.gz DKLOSKLLQPAIIC-UHFFFAOYSA-N 1 2 405.357 4.012 20 5 HIBDLO CO[C@@H]1C[N@@H+]([C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CC[C@@H]1C ZINC000467302604 881051370 /nfs/dbraw/zinc/05/13/70/881051370.db2.gz JFWCGFSLGHUIPP-VHKYSDTDSA-N 1 2 417.893 4.285 20 5 HIBDLO CO[C@@H]1C[N@H+]([C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CC[C@@H]1C ZINC000467302604 881051387 /nfs/dbraw/zinc/05/13/87/881051387.db2.gz JFWCGFSLGHUIPP-VHKYSDTDSA-N 1 2 417.893 4.285 20 5 HIBDLO Cc1ccc(NC(=O)c2ccc(N3CC[C@@H](C)[C@@H](n4cc[nH+]c4)C3)c([N+](=O)[O-])c2)cc1 ZINC000469137288 883234175 /nfs/dbraw/zinc/23/41/75/883234175.db2.gz ZZUNORVUYDVFLS-VGSWGCGISA-N 1 2 419.485 4.440 20 5 HIBDLO C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)Cc1cccc(OC(F)(F)F)c1 ZINC000470012952 884230000 /nfs/dbraw/zinc/23/00/00/884230000.db2.gz LBWRZQQVKAHLDU-UHFFFAOYSA-N 1 2 417.771 4.217 20 5 HIBDLO C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)Cc1cccc(OC(F)(F)F)c1 ZINC000470012952 884230022 /nfs/dbraw/zinc/23/00/22/884230022.db2.gz LBWRZQQVKAHLDU-UHFFFAOYSA-N 1 2 417.771 4.217 20 5 HIBDLO C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccc(-c2ccncc2)cc1 ZINC000470187097 884477638 /nfs/dbraw/zinc/47/76/38/884477638.db2.gz FHZLAJBDRZSRTM-INIZCTEOSA-N 1 2 413.437 4.334 20 5 HIBDLO CC[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC[C@H]1c1ccccc1 ZINC000470204878 884520256 /nfs/dbraw/zinc/52/02/56/884520256.db2.gz BOZXSHMKYZLRDG-FXAWDEMLSA-N 1 2 404.470 4.436 20 5 HIBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC(=Cc2ccc(F)c(F)c2)CC1 ZINC000470587198 885003463 /nfs/dbraw/zinc/00/34/63/885003463.db2.gz GOSFZRQXYOZFTN-UHFFFAOYSA-N 1 2 424.407 4.378 20 5 HIBDLO CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000504071788 912973980 /nfs/dbraw/zinc/97/39/80/912973980.db2.gz CGIPVSXCILVMPR-UHFFFAOYSA-N 1 2 415.515 4.181 20 5 HIBDLO CC[N@@H+]1CC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000471928949 886720480 /nfs/dbraw/zinc/72/04/80/886720480.db2.gz TWTUPJBOLXZHMT-IEBWSBKVSA-N 1 2 422.407 4.278 20 5 HIBDLO CC[N@H+]1CC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000471928949 886720495 /nfs/dbraw/zinc/72/04/95/886720495.db2.gz TWTUPJBOLXZHMT-IEBWSBKVSA-N 1 2 422.407 4.278 20 5 HIBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000471989192 886816042 /nfs/dbraw/zinc/81/60/42/886816042.db2.gz RVUDWSMHTJYJCZ-LPHOPBHVSA-N 1 2 404.417 4.057 20 5 HIBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000471989192 886816043 /nfs/dbraw/zinc/81/60/43/886816043.db2.gz RVUDWSMHTJYJCZ-LPHOPBHVSA-N 1 2 404.417 4.057 20 5 HIBDLO CCOc1cc(N2CC[NH+](Cc3cnc(C4CCC4)s3)CC2)ccc1[N+](=O)[O-] ZINC000475496352 890404139 /nfs/dbraw/zinc/40/41/39/890404139.db2.gz NUHBJTMIHUTETO-UHFFFAOYSA-N 1 2 402.520 4.040 20 5 HIBDLO COC(=O)COc1ccc(C[N@H+](C)Cc2cccc(Cl)c2Cl)cc1[N+](=O)[O-] ZINC000475580392 890509952 /nfs/dbraw/zinc/50/99/52/890509952.db2.gz BWGBHLSTSFSYKN-UHFFFAOYSA-N 1 2 413.257 4.085 20 5 HIBDLO COC(=O)COc1ccc(C[N@@H+](C)Cc2cccc(Cl)c2Cl)cc1[N+](=O)[O-] ZINC000475580392 890509960 /nfs/dbraw/zinc/50/99/60/890509960.db2.gz BWGBHLSTSFSYKN-UHFFFAOYSA-N 1 2 413.257 4.085 20 5 HIBDLO O=C(NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1)c1ccccc1[N+](=O)[O-] ZINC000504813221 913532868 /nfs/dbraw/zinc/53/28/68/913532868.db2.gz LAZNBZKEJMGRAU-UHFFFAOYSA-N 1 2 412.449 4.437 20 5 HIBDLO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000477399502 892353474 /nfs/dbraw/zinc/35/34/74/892353474.db2.gz AFTSLAODTPLGGL-MAUKXSAKSA-N 1 2 409.820 4.010 20 5 HIBDLO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000477399502 892353502 /nfs/dbraw/zinc/35/35/02/892353502.db2.gz AFTSLAODTPLGGL-MAUKXSAKSA-N 1 2 409.820 4.010 20 5 HIBDLO Cc1[nH+]c[nH]c1CNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 ZINC000480024477 895374980 /nfs/dbraw/zinc/37/49/80/895374980.db2.gz UIVPWIIPGTYPKF-UHFFFAOYSA-N 1 2 402.863 4.361 20 5 HIBDLO C[C@H]1C[N@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C[C@@]2(CCCOC2)O1 ZINC000482457340 898026891 /nfs/dbraw/zinc/02/68/91/898026891.db2.gz UUPVMGPJIPMNJR-KSFYIVLOSA-N 1 2 416.449 4.296 20 5 HIBDLO C[C@H]1C[N@@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C[C@@]2(CCCOC2)O1 ZINC000482457340 898026902 /nfs/dbraw/zinc/02/69/02/898026902.db2.gz UUPVMGPJIPMNJR-KSFYIVLOSA-N 1 2 416.449 4.296 20 5 HIBDLO C[C@H]([NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1ccc(OC(F)(F)F)cc1 ZINC000484900516 900280920 /nfs/dbraw/zinc/28/09/20/900280920.db2.gz NQIHWMBZMQHZHZ-NSHDSACASA-N 1 2 408.336 4.394 20 5 HIBDLO CC(C)(C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)c1ccccc1[N+](=O)[O-] ZINC000490542304 904087848 /nfs/dbraw/zinc/08/78/48/904087848.db2.gz IOCBSVPEUFPUCB-UHFFFAOYSA-N 1 2 402.454 4.426 20 5 HIBDLO Cc1cc(N2CCCC2)ccc1NC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000490790778 904237457 /nfs/dbraw/zinc/23/74/57/904237457.db2.gz HMFWRRQYASORRO-UHFFFAOYSA-N 1 2 408.502 4.107 20 5 HIBDLO Cc1cc(N2CCCC2)ccc1NC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000490790778 904237471 /nfs/dbraw/zinc/23/74/71/904237471.db2.gz HMFWRRQYASORRO-UHFFFAOYSA-N 1 2 408.502 4.107 20 5 HIBDLO COc1ccc(Cl)cc1C[NH2+]Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000492142654 904805121 /nfs/dbraw/zinc/80/51/21/904805121.db2.gz LGMJZMQFVJQZIH-UHFFFAOYSA-N 1 2 416.808 4.199 20 5 HIBDLO Cc1ccc([C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])c2cccc(S(C)(=O)=O)c2)cc1 ZINC000493234656 905058226 /nfs/dbraw/zinc/05/82/26/905058226.db2.gz WGWBIALBVKNSHH-QFIPXVFZSA-N 1 2 410.495 4.186 20 5 HIBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000494014311 905352202 /nfs/dbraw/zinc/35/22/02/905352202.db2.gz CLMNGOVKPMRLML-CTNGQTDRSA-N 1 2 405.458 4.458 20 5 HIBDLO Cn1cc([C@@H]([NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c2cccc(F)c2)cn1 ZINC000494495625 905784054 /nfs/dbraw/zinc/78/40/54/905784054.db2.gz NGZKEFHBQZHXQR-SFHVURJKSA-N 1 2 408.355 4.365 20 5 HIBDLO COC(=O)C[C@](C)([NH2+]Cc1cc([N+](=O)[O-])ccc1OC(C)C)c1cccc(F)c1 ZINC000513121469 921566203 /nfs/dbraw/zinc/56/62/03/921566203.db2.gz DSEIJGBEDWUIDE-NRFANRHFSA-N 1 2 404.438 4.089 20 5 HIBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCSc2ccc(Cl)cc21 ZINC000501703401 910771659 /nfs/dbraw/zinc/77/16/59/910771659.db2.gz FHEDQTIFNFSMDJ-UHFFFAOYSA-N 1 2 400.847 4.186 20 5 HIBDLO CC(C)c1nc([C@@H]2CCCCCN2C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)no1 ZINC000501775422 910829704 /nfs/dbraw/zinc/82/97/04/910829704.db2.gz ZFMJUMUJUWYWFG-KRWDZBQOSA-N 1 2 424.461 4.044 20 5 HIBDLO Cc1ccc([C@@H](C)NC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1[N+](=O)[O-] ZINC000507583685 916339053 /nfs/dbraw/zinc/33/90/53/916339053.db2.gz JQSRWKWPQFKDAG-SJLPKXTDSA-N 1 2 411.506 4.086 20 5 HIBDLO COc1ccc([C@@H]([NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)c2ccc(F)cc2)cc1 ZINC000507949259 916811303 /nfs/dbraw/zinc/81/13/03/916811303.db2.gz KYSZCPIMBUTOIK-QFIPXVFZSA-N 1 2 424.428 4.488 20 5 HIBDLO COc1ccc2[nH]cc(C3=CC[N@@H+]([C@@H](C)C(=O)Nc4ccccc4[N+](=O)[O-])CC3)c2c1 ZINC000509558080 918209003 /nfs/dbraw/zinc/20/90/03/918209003.db2.gz PKNSKDRYNGTTRK-HNNXBMFYSA-N 1 2 420.469 4.201 20 5 HIBDLO COc1ccc2[nH]cc(C3=CC[N@H+]([C@@H](C)C(=O)Nc4ccccc4[N+](=O)[O-])CC3)c2c1 ZINC000509558080 918209018 /nfs/dbraw/zinc/20/90/18/918209018.db2.gz PKNSKDRYNGTTRK-HNNXBMFYSA-N 1 2 420.469 4.201 20 5 HIBDLO Cc1ccc(Sc2ccc(C[NH2+][C@@H](C(N)=O)c3ccccc3)cc2[N+](=O)[O-])cc1 ZINC000509584800 918233266 /nfs/dbraw/zinc/23/32/66/918233266.db2.gz SKGRAVVLUHUQET-OAQYLSRUSA-N 1 2 407.495 4.371 20 5 HIBDLO COc1cc(C[N@@H+]2CCC[C@H]2c2cc(C)no2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000509814766 918416817 /nfs/dbraw/zinc/41/68/17/918416817.db2.gz VUPVTLBVGMQAFX-ZDUSSCGKSA-N 1 2 415.368 4.178 20 5 HIBDLO COc1cc(C[N@H+]2CCC[C@H]2c2cc(C)no2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000509814766 918416833 /nfs/dbraw/zinc/41/68/33/918416833.db2.gz VUPVTLBVGMQAFX-ZDUSSCGKSA-N 1 2 415.368 4.178 20 5 HIBDLO C[C@@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511072975 919672732 /nfs/dbraw/zinc/67/27/32/919672732.db2.gz NGVNEEKSKKRYGI-AWEZNQCLSA-N 1 2 400.866 4.458 20 5 HIBDLO C[C@@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511072975 919672742 /nfs/dbraw/zinc/67/27/42/919672742.db2.gz NGVNEEKSKKRYGI-AWEZNQCLSA-N 1 2 400.866 4.458 20 5 HIBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1CCC([C@@H](F)c2ccccc2F)CC1 ZINC000511147864 919768757 /nfs/dbraw/zinc/76/87/57/919768757.db2.gz VLKQJGRNKUVHJA-OAQYLSRUSA-N 1 2 403.429 4.404 20 5 HIBDLO Cn1ccnc1[C@@H]([NH2+]CCOc1cccc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000513668075 921990141 /nfs/dbraw/zinc/99/01/41/921990141.db2.gz VKZLUIDHVOZEDJ-QFIPXVFZSA-N 1 2 402.454 4.240 20 5 HIBDLO CCOc1cc(C[NH+]2Cc3ccccc3C2)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000513672496 921995950 /nfs/dbraw/zinc/99/59/50/921995950.db2.gz KMGFMSFTSBFUMW-UHFFFAOYSA-N 1 2 422.485 4.093 20 5 HIBDLO CC(C)(C)OC(=O)C1CC[NH+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000513754473 922075014 /nfs/dbraw/zinc/07/50/14/922075014.db2.gz LKYILICOVCFDIA-UHFFFAOYSA-N 1 2 403.504 4.272 20 5 HIBDLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000516131685 923564725 /nfs/dbraw/zinc/56/47/25/923564725.db2.gz YRVCTTKAJUJWEQ-UHFFFAOYSA-N 1 2 424.310 4.113 20 5 HIBDLO CCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000516339020 923674689 /nfs/dbraw/zinc/67/46/89/923674689.db2.gz KDEXAHGPFCIMHA-UHFFFAOYSA-N 1 2 420.347 4.450 20 5 HIBDLO C[C@@H](C(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2)c1cccc([N+](=O)[O-])c1 ZINC000562393892 945068265 /nfs/dbraw/zinc/06/82/65/945068265.db2.gz CDNQWRASUGLUEL-OAHLLOKOSA-N 1 2 422.510 4.352 20 5 HIBDLO C[C@@H](C(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2)c1cccc([N+](=O)[O-])c1 ZINC000562393892 945068285 /nfs/dbraw/zinc/06/82/85/945068285.db2.gz CDNQWRASUGLUEL-OAHLLOKOSA-N 1 2 422.510 4.352 20 5 HIBDLO C[C@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000517672149 926777249 /nfs/dbraw/zinc/77/72/49/926777249.db2.gz DSFYQNPTMLVOTE-CYBMUJFWSA-N 1 2 418.375 4.160 20 5 HIBDLO O=C(Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2)c1cc(F)cc([N+](=O)[O-])c1 ZINC000518787158 927492230 /nfs/dbraw/zinc/49/22/30/927492230.db2.gz OVKOBDQQYZNYRG-UHFFFAOYSA-N 1 2 412.446 4.001 20 5 HIBDLO O=C(Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2)c1cc(F)cc([N+](=O)[O-])c1 ZINC000518787158 927492237 /nfs/dbraw/zinc/49/22/37/927492237.db2.gz OVKOBDQQYZNYRG-UHFFFAOYSA-N 1 2 412.446 4.001 20 5 HIBDLO O=C(CC[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1)Nc1cc(Cl)ccc1Cl ZINC000519037204 927713876 /nfs/dbraw/zinc/71/38/76/927713876.db2.gz UNEUKWOYTIEIMC-UHFFFAOYSA-N 1 2 410.257 4.125 20 5 HIBDLO O=C(CC[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1)Nc1cc(Cl)ccc1Cl ZINC000519037204 927713894 /nfs/dbraw/zinc/71/38/94/927713894.db2.gz UNEUKWOYTIEIMC-UHFFFAOYSA-N 1 2 410.257 4.125 20 5 HIBDLO CC[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)Cc1cccc(Br)c1 ZINC000521221533 929067368 /nfs/dbraw/zinc/06/73/68/929067368.db2.gz JQXREEMWIMQRPZ-UHFFFAOYSA-N 1 2 417.263 4.429 20 5 HIBDLO CC[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)Cc1cccc(Br)c1 ZINC000521221533 929067374 /nfs/dbraw/zinc/06/73/74/929067374.db2.gz JQXREEMWIMQRPZ-UHFFFAOYSA-N 1 2 417.263 4.429 20 5 HIBDLO O=C(Nc1nc(Sc2ccccc2)ns1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000521920727 929563401 /nfs/dbraw/zinc/56/34/01/929563401.db2.gz PZDXOMGUELKDFD-UHFFFAOYSA-N 1 2 424.467 4.036 20 5 HIBDLO O=C(N[C@H](c1ccc(Cl)cc1)C(F)(F)F)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000524965491 929930961 /nfs/dbraw/zinc/93/09/61/929930961.db2.gz GSMAKWLMABTLSV-MRXNPFEDSA-N 1 2 424.766 4.467 20 5 HIBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1csc(CNC(=O)c2ccccc2)n1 ZINC000531978397 931273058 /nfs/dbraw/zinc/27/30/58/931273058.db2.gz WTMROKXXIKJRKF-HNNXBMFYSA-N 1 2 410.499 4.141 20 5 HIBDLO COc1ccccc1[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000532587451 931544067 /nfs/dbraw/zinc/54/40/67/931544067.db2.gz ZXKZEFRYUCATKD-KGLIPLIRSA-N 1 2 403.866 4.073 20 5 HIBDLO COc1ccccc1[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000532587451 931544072 /nfs/dbraw/zinc/54/40/72/931544072.db2.gz ZXKZEFRYUCATKD-KGLIPLIRSA-N 1 2 403.866 4.073 20 5 HIBDLO O=[N+]([O-])c1cccc(-c2noc(C[NH2+]C3(c4ccc(Cl)cc4)CCOCC3)n2)c1 ZINC000532714406 931604277 /nfs/dbraw/zinc/60/42/77/931604277.db2.gz LEPABWKDAVZXJM-UHFFFAOYSA-N 1 2 414.849 4.094 20 5 HIBDLO COc1ccc(C[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])Cc2ccccc2)cc1 ZINC000533030882 931746264 /nfs/dbraw/zinc/74/62/64/931746264.db2.gz FVBQRHHIMKYTLN-UHFFFAOYSA-N 1 2 405.454 4.244 20 5 HIBDLO COc1ccc(C[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])Cc2ccccc2)cc1 ZINC000533030882 931746268 /nfs/dbraw/zinc/74/62/68/931746268.db2.gz FVBQRHHIMKYTLN-UHFFFAOYSA-N 1 2 405.454 4.244 20 5 HIBDLO COc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)c3ccc4ccccc4c3)C2)cc1[N+](=O)[O-] ZINC000533068719 931761580 /nfs/dbraw/zinc/76/15/80/931761580.db2.gz QTXLMDVLRRTIMG-OAQYLSRUSA-N 1 2 419.481 4.151 20 5 HIBDLO COc1ccc(C[N@H+]2CCC[C@@H](NC(=O)c3ccc4ccccc4c3)C2)cc1[N+](=O)[O-] ZINC000533068719 931761586 /nfs/dbraw/zinc/76/15/86/931761586.db2.gz QTXLMDVLRRTIMG-OAQYLSRUSA-N 1 2 419.481 4.151 20 5 HIBDLO C[N@@H+]1CC[C@@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535886533 933468055 /nfs/dbraw/zinc/46/80/55/933468055.db2.gz VSNWYMUCULJIQR-RTBURBONSA-N 1 2 416.840 4.044 20 5 HIBDLO C[N@H+]1CC[C@@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535886533 933468061 /nfs/dbraw/zinc/46/80/61/933468061.db2.gz VSNWYMUCULJIQR-RTBURBONSA-N 1 2 416.840 4.044 20 5 HIBDLO C[C@H]([NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(OCC2CC2)c(F)c1 ZINC000538224463 938564052 /nfs/dbraw/zinc/56/40/52/938564052.db2.gz CYMAOSSGDMCRJZ-ZDUSSCGKSA-N 1 2 412.421 4.424 20 5 HIBDLO NC(=O)C[C@@H]([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1cccc(Cl)c1 ZINC000538531265 938642691 /nfs/dbraw/zinc/64/26/91/938642691.db2.gz HNYDRTDIORNBEY-QGZVFWFLSA-N 1 2 416.890 4.078 20 5 HIBDLO COc1cc([C@H](C)[NH2+]Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)ccc1OC(C)C ZINC000539251741 938826086 /nfs/dbraw/zinc/82/60/86/938826086.db2.gz CDWZHROEJYDIMD-AWEZNQCLSA-N 1 2 412.446 4.291 20 5 HIBDLO O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000542181840 939747383 /nfs/dbraw/zinc/74/73/83/939747383.db2.gz YNGORVZIBUFOAM-UHFFFAOYSA-N 1 2 410.396 4.143 20 5 HIBDLO C/C(=C/c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000542189136 939750312 /nfs/dbraw/zinc/75/03/12/939750312.db2.gz IIAGUBZEMHQRFU-SSZFMOIBSA-N 1 2 406.442 4.038 20 5 HIBDLO O=[N+]([O-])c1ccc(N2CCc3c([nH+]cn3CCc3ccccc3)C2)cc1OC(F)F ZINC000542279466 939783696 /nfs/dbraw/zinc/78/36/96/939783696.db2.gz XVWOEWZGOVOJAP-UHFFFAOYSA-N 1 2 414.412 4.198 20 5 HIBDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)C1 ZINC000542525570 939837281 /nfs/dbraw/zinc/83/72/81/939837281.db2.gz IDFLKRVMPOKBDY-INIZCTEOSA-N 1 2 414.531 4.240 20 5 HIBDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)C1 ZINC000542525575 939837470 /nfs/dbraw/zinc/83/74/70/939837470.db2.gz IDFLKRVMPOKBDY-MRXNPFEDSA-N 1 2 414.531 4.240 20 5 HIBDLO CCc1ccc([C@H]([NH2+]Cc2cccnc2-n2cccn2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000543403771 940052771 /nfs/dbraw/zinc/05/27/71/940052771.db2.gz UKFFUQSNLMRAFD-OAQYLSRUSA-N 1 2 403.442 4.210 20 5 HIBDLO CCc1ccc([C@@H]([NH2+]Cc2ccccc2N2CCOCC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000543409201 940056086 /nfs/dbraw/zinc/05/60/86/940056086.db2.gz YDTPONAVXKZRLD-DEOSSOPVSA-N 1 2 421.497 4.466 20 5 HIBDLO CC[C@H]([NH2+][C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1nccs1 ZINC000543453132 940067706 /nfs/dbraw/zinc/06/77/06/940067706.db2.gz FBGVPTASZNRVQD-RISCZKNCSA-N 1 2 417.516 4.243 20 5 HIBDLO COc1cc(C[NH2+][C@@H](c2ncc(C)s2)C2CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000543463905 940072138 /nfs/dbraw/zinc/07/21/38/940072138.db2.gz XBUGLVQVYXQBBH-QGZVFWFLSA-N 1 2 413.446 4.253 20 5 HIBDLO C[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)c1ccc([N+](=O)[O-])cc1F ZINC000543579867 940117727 /nfs/dbraw/zinc/11/77/27/940117727.db2.gz FSQUZAJKXPPUAT-ZKWAXGPOSA-N 1 2 423.847 4.192 20 5 HIBDLO C[C@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)c1ccc([N+](=O)[O-])cc1F ZINC000543579867 940117734 /nfs/dbraw/zinc/11/77/34/940117734.db2.gz FSQUZAJKXPPUAT-ZKWAXGPOSA-N 1 2 423.847 4.192 20 5 HIBDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)CSc2ccccc2[N+](=O)[O-])c(C)c1 ZINC000544089704 940323281 /nfs/dbraw/zinc/32/32/81/940323281.db2.gz IWASGBQJKOJYHU-SFHVURJKSA-N 1 2 410.499 4.058 20 5 HIBDLO CC[C@@H](c1ccc(F)cc1F)[NH+]1CCN(c2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000544395383 940410920 /nfs/dbraw/zinc/41/09/20/940410920.db2.gz XBGNOMRGQMNJSP-SFHVURJKSA-N 1 2 413.428 4.090 20 5 HIBDLO C[C@@H]([NH2+][C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)c1cnn(C)c1 ZINC000544470063 940445381 /nfs/dbraw/zinc/44/53/81/940445381.db2.gz WWAQRTQYVJLVJO-YJYMSZOUSA-N 1 2 413.865 4.012 20 5 HIBDLO CCc1noc(C)c1C[NH2+]Cc1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000550238685 941302642 /nfs/dbraw/zinc/30/26/42/941302642.db2.gz GLNMJUGPWBEPHH-UHFFFAOYSA-N 1 2 411.458 4.331 20 5 HIBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@](F)(c2cc(F)cc(F)c2)C1 ZINC000551401556 941470036 /nfs/dbraw/zinc/47/00/36/941470036.db2.gz HBDQVHVOPCVEFA-HXUWFJFHSA-N 1 2 407.392 4.081 20 5 HIBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@](F)(c2cc(F)cc(F)c2)C1 ZINC000551401556 941470039 /nfs/dbraw/zinc/47/00/39/941470039.db2.gz HBDQVHVOPCVEFA-HXUWFJFHSA-N 1 2 407.392 4.081 20 5 HIBDLO Cn1ccnc1[C@H]([NH2+][C@H]1C[C@@H](Oc2ccccc2)C1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000554120009 942041251 /nfs/dbraw/zinc/04/12/51/942041251.db2.gz IDGYNPOGLXWEAG-PWRODBHTSA-N 1 2 406.486 4.253 20 5 HIBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000558513051 943582722 /nfs/dbraw/zinc/58/27/22/943582722.db2.gz CDRMJLAYRXVJSU-PKOBYXMFSA-N 1 2 404.417 4.002 20 5 HIBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000558513051 943582734 /nfs/dbraw/zinc/58/27/34/943582734.db2.gz CDRMJLAYRXVJSU-PKOBYXMFSA-N 1 2 404.417 4.002 20 5 HIBDLO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](c1ccccc1)[NH+]1CCC2(CCO2)CC1 ZINC000558626853 943620545 /nfs/dbraw/zinc/62/05/45/943620545.db2.gz DJFAWNZGYFUVIA-IBGZPJMESA-N 1 2 415.877 4.183 20 5 HIBDLO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000558752605 943644038 /nfs/dbraw/zinc/64/40/38/943644038.db2.gz OZNVOMCGDDEYRY-UHFFFAOYSA-N 1 2 417.469 4.216 20 5 HIBDLO C[C@H](C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000571016135 947441475 /nfs/dbraw/zinc/44/14/75/947441475.db2.gz UENYUYNUJYFQRF-NXXSPTCGSA-N 1 2 405.857 4.052 20 5 HIBDLO C[C@H](C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000571016135 947441478 /nfs/dbraw/zinc/44/14/78/947441478.db2.gz UENYUYNUJYFQRF-NXXSPTCGSA-N 1 2 405.857 4.052 20 5 HIBDLO CCNc1ccc(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)cc1[N+](=O)[O-] ZINC000436169592 861470403 /nfs/dbraw/zinc/47/04/03/861470403.db2.gz HGIXOHZKYYJUKT-UHFFFAOYSA-N 1 2 405.458 4.479 20 5 HIBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000007350572 845314905 /nfs/dbraw/zinc/31/49/05/845314905.db2.gz DITQVQBDUUZGMV-AWEZNQCLSA-N 1 2 413.865 4.181 20 5 HIBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3nc4ccccc4s3)CC2)c2ccncc21 ZINC000011512384 845806920 /nfs/dbraw/zinc/80/69/20/845806920.db2.gz SHXWJJWOPVRWSA-UHFFFAOYSA-N 1 2 405.483 4.075 20 5 HIBDLO O=C(c1ccccc1)c1ccc(N2CC[NH+](Cc3cccs3)CC2)c([N+](=O)[O-])c1 ZINC000022812815 846624015 /nfs/dbraw/zinc/62/40/15/846624015.db2.gz ATWIXCPIIVCXDY-UHFFFAOYSA-N 1 2 407.495 4.210 20 5 HIBDLO C[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1ccc(OC(F)(F)F)cc1 ZINC000023075439 846656158 /nfs/dbraw/zinc/65/61/58/846656158.db2.gz NNZZTCBXYBYLFK-UHFFFAOYSA-N 1 2 408.336 4.175 20 5 HIBDLO C[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1ccc(OC(F)(F)F)cc1 ZINC000023075439 846656164 /nfs/dbraw/zinc/65/61/64/846656164.db2.gz NNZZTCBXYBYLFK-UHFFFAOYSA-N 1 2 408.336 4.175 20 5 HIBDLO O=C(C[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000024662665 846850656 /nfs/dbraw/zinc/85/06/56/846850656.db2.gz ZCWLQPVBPRNXNX-CYBMUJFWSA-N 1 2 414.849 4.208 20 5 HIBDLO O=C(C[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000024662665 846850662 /nfs/dbraw/zinc/85/06/62/846850662.db2.gz ZCWLQPVBPRNXNX-CYBMUJFWSA-N 1 2 414.849 4.208 20 5 HIBDLO COc1ccc2cc(CN(C)C(=O)[C@@H](C)[N@H+](C)Cc3ccccc3[N+](=O)[O-])ccc2c1 ZINC000026350352 847131471 /nfs/dbraw/zinc/13/14/71/847131471.db2.gz RAWWWLFDVLZDPV-QGZVFWFLSA-N 1 2 421.497 4.236 20 5 HIBDLO COc1ccc2cc(CN(C)C(=O)[C@@H](C)[N@@H+](C)Cc3ccccc3[N+](=O)[O-])ccc2c1 ZINC000026350352 847131477 /nfs/dbraw/zinc/13/14/77/847131477.db2.gz RAWWWLFDVLZDPV-QGZVFWFLSA-N 1 2 421.497 4.236 20 5 HIBDLO CC[N@H+](CC(=O)Nc1c(Cl)cccc1Cl)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000052310105 849569788 /nfs/dbraw/zinc/56/97/88/849569788.db2.gz KIYUJKAGOUTYNX-UHFFFAOYSA-N 1 2 412.273 4.371 20 5 HIBDLO CC[N@@H+](CC(=O)Nc1c(Cl)cccc1Cl)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000052310105 849569792 /nfs/dbraw/zinc/56/97/92/849569792.db2.gz KIYUJKAGOUTYNX-UHFFFAOYSA-N 1 2 412.273 4.371 20 5 HIBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000054888004 849936696 /nfs/dbraw/zinc/93/66/96/849936696.db2.gz PQJXTDQBERKAHY-UHFFFAOYSA-N 1 2 413.437 4.191 20 5 HIBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC[C@@H]1Cc1ccccc1Cl ZINC000055524655 850046685 /nfs/dbraw/zinc/04/66/85/850046685.db2.gz JLWQJNCYYWBBSY-QGZVFWFLSA-N 1 2 410.861 4.281 20 5 HIBDLO CCOc1ccc([C@@H]2CCCN2C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1 ZINC000104961466 852685197 /nfs/dbraw/zinc/68/51/97/852685197.db2.gz NQRCHEMUVRJKQW-IBGZPJMESA-N 1 2 406.442 4.157 20 5 HIBDLO COc1ccccc1-c1csc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1 ZINC000116976905 853339464 /nfs/dbraw/zinc/33/94/64/853339464.db2.gz GSZNSHKEAHKMBR-UHFFFAOYSA-N 1 2 421.438 4.165 20 5 HIBDLO Cc1cc(N2CCN(c3ccc([N+](=O)[O-])c(C(F)(F)F)c3)CC2)nc(C(C)C)[nH+]1 ZINC000216290331 853849307 /nfs/dbraw/zinc/84/93/07/853849307.db2.gz RHDURYOHFJSERA-UHFFFAOYSA-N 1 2 409.412 4.162 20 5 HIBDLO O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1NCc1cc[nH+]c(N2CCCC2)c1 ZINC000301088912 854293275 /nfs/dbraw/zinc/29/32/75/854293275.db2.gz LUVQVNQWMYGXPF-UHFFFAOYSA-N 1 2 411.340 4.129 20 5 HIBDLO Cc1cnc(Sc2nnc([C@@H](C)[NH+](C)C)n2-c2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000301453826 854398857 /nfs/dbraw/zinc/39/88/57/854398857.db2.gz RHICFLXUVOMHQV-GFCCVEGCSA-N 1 2 418.910 4.306 20 5 HIBDLO CN(C)c1ccc([NH+]2CCC(Nc3ccc([N+](=O)[O-])c(OC(F)F)c3)CC2)cc1 ZINC000301473839 854403321 /nfs/dbraw/zinc/40/33/21/854403321.db2.gz VEFHTKAOQMPFFV-UHFFFAOYSA-N 1 2 406.433 4.343 20 5 HIBDLO C[C@@H](c1nnc(Sc2ncc(Cl)cc2[N+](=O)[O-])n1-c1ccc(F)cc1)[NH+](C)C ZINC000301745747 854457015 /nfs/dbraw/zinc/45/70/15/854457015.db2.gz OQKITXVJGKTZQU-JTQLQIEISA-N 1 2 422.873 4.137 20 5 HIBDLO CCOc1cc(N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)ccc1[N+](=O)[O-] ZINC000301969860 854507283 /nfs/dbraw/zinc/50/72/83/854507283.db2.gz CMPQTRYRUOEFKL-PMACEKPBSA-N 1 2 405.882 4.131 20 5 HIBDLO CCOc1cc(N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)ccc1[N+](=O)[O-] ZINC000301969860 854507290 /nfs/dbraw/zinc/50/72/90/854507290.db2.gz CMPQTRYRUOEFKL-PMACEKPBSA-N 1 2 405.882 4.131 20 5 HIBDLO Cc1c(NC(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)cccc1[N+](=O)[O-] ZINC000303499866 854989078 /nfs/dbraw/zinc/98/90/78/854989078.db2.gz UTAVOTCNXXKGFJ-INIZCTEOSA-N 1 2 420.872 4.482 20 5 HIBDLO Cc1c(NC(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)cccc1[N+](=O)[O-] ZINC000303499866 854989083 /nfs/dbraw/zinc/98/90/83/854989083.db2.gz UTAVOTCNXXKGFJ-INIZCTEOSA-N 1 2 420.872 4.482 20 5 HIBDLO C[C@@H]1CCN(C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000427156664 856676294 /nfs/dbraw/zinc/67/62/94/856676294.db2.gz BIFJAGSLMJHALW-VGOFRKELSA-N 1 2 420.469 4.094 20 5 HIBDLO Cc1nc(C(C)C)oc1C[NH+]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000428458265 857209599 /nfs/dbraw/zinc/20/95/99/857209599.db2.gz BHPPQZDZLXSFKO-UHFFFAOYSA-N 1 2 412.412 4.356 20 5 HIBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000429149694 857532450 /nfs/dbraw/zinc/53/24/50/857532450.db2.gz LUQIHWQSTMQOJQ-INIZCTEOSA-N 1 2 405.907 4.362 20 5 HIBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000429149694 857532456 /nfs/dbraw/zinc/53/24/56/857532456.db2.gz LUQIHWQSTMQOJQ-INIZCTEOSA-N 1 2 405.907 4.362 20 5 HIBDLO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000429506606 857703880 /nfs/dbraw/zinc/70/38/80/857703880.db2.gz AZQNEJYJPGTEAV-UHFFFAOYSA-N 1 2 402.520 4.292 20 5 HIBDLO COc1ccc([C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2OC)c2ccccc2OC)cc1 ZINC000429810152 857892689 /nfs/dbraw/zinc/89/26/89/857892689.db2.gz SYSRTQBDEGGNEF-HSZRJFAPSA-N 1 2 408.454 4.500 20 5 HIBDLO C[C@@H](c1cccc(NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000432808139 859369677 /nfs/dbraw/zinc/36/96/77/859369677.db2.gz HZVKNJHRTLTQFI-INIZCTEOSA-N 1 2 412.490 4.045 20 5 HIBDLO O=C([C@@H]1C[C@@H]1C1CC1)N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000433857583 859938408 /nfs/dbraw/zinc/93/84/08/859938408.db2.gz FEXCRTLQNUUPEN-RTBURBONSA-N 1 2 411.527 4.014 20 5 HIBDLO CC(C)CCSc1ccc(C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1[N+](=O)[O-] ZINC000433954534 860000398 /nfs/dbraw/zinc/00/03/98/860000398.db2.gz USKAZHIUXJYLGF-GOSISDBHSA-N 1 2 415.515 4.422 20 5 HIBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000433973562 860010611 /nfs/dbraw/zinc/01/06/11/860010611.db2.gz XZBWFGATZFUAFA-HNNXBMFYSA-N 1 2 414.531 4.014 20 5 HIBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N(CC(F)F)c1cccc(Cl)c1 ZINC000440680437 865863600 /nfs/dbraw/zinc/86/36/00/865863600.db2.gz IBGPROYITCXCBY-UHFFFAOYSA-N 1 2 406.776 4.346 20 5 HIBDLO O=C(c1ccccc1Sc1ccccc1[N+](=O)[O-])N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000441050402 866121725 /nfs/dbraw/zinc/12/17/25/866121725.db2.gz LDMGNZOBAAUKNB-KRWDZBQOSA-N 1 2 421.478 4.435 20 5 HIBDLO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN([C@@H](C)c2nc(-c3cccs3)no2)CC1 ZINC000441373108 866440888 /nfs/dbraw/zinc/44/08/88/866440888.db2.gz AICCJCRZRHIGKK-CABCVRRESA-N 1 2 413.503 4.146 20 5 HIBDLO C[N@H+](Cc1ccnc(-c2ccc(Br)cc2)n1)Cc1ccccc1[N+](=O)[O-] ZINC000441898164 866963973 /nfs/dbraw/zinc/96/39/73/866963973.db2.gz MNRRAHJWWQFSKW-UHFFFAOYSA-N 1 2 413.275 4.446 20 5 HIBDLO C[N@@H+](Cc1ccnc(-c2ccc(Br)cc2)n1)Cc1ccccc1[N+](=O)[O-] ZINC000441898164 866963995 /nfs/dbraw/zinc/96/39/95/866963995.db2.gz MNRRAHJWWQFSKW-UHFFFAOYSA-N 1 2 413.275 4.446 20 5 HIBDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000442182795 867205712 /nfs/dbraw/zinc/20/57/12/867205712.db2.gz JAPRZHOEUQOENP-QFIPXVFZSA-N 1 2 421.501 4.158 20 5 HIBDLO CCOc1ccc([C@H]([NH2+]Cc2c([N+](=O)[O-])ncn2C)c2cccc(Cl)c2)cc1 ZINC000443456315 868044913 /nfs/dbraw/zinc/04/49/13/868044913.db2.gz UFKYYRKPZUFRJZ-IBGZPJMESA-N 1 2 400.866 4.260 20 5 HIBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000443658727 868264399 /nfs/dbraw/zinc/26/43/99/868264399.db2.gz OKRJFGXDCAPMQT-CQSZACIVSA-N 1 2 412.421 4.002 20 5 HIBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000443658727 868264410 /nfs/dbraw/zinc/26/44/10/868264410.db2.gz OKRJFGXDCAPMQT-CQSZACIVSA-N 1 2 412.421 4.002 20 5 HIBDLO COc1cc(CNc2cccc(-c3[nH+]cc4n3CCCC4)c2)c([N+](=O)[O-])cc1OC ZINC000444010669 868535047 /nfs/dbraw/zinc/53/50/47/868535047.db2.gz QJPJCZOCHDNCIM-UHFFFAOYSA-N 1 2 408.458 4.424 20 5 HIBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000444173112 868649186 /nfs/dbraw/zinc/64/91/86/868649186.db2.gz SWZDEEIVQBUERK-DOTOQJQBSA-N 1 2 417.893 4.114 20 5 HIBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000444173112 868649189 /nfs/dbraw/zinc/64/91/89/868649189.db2.gz SWZDEEIVQBUERK-DOTOQJQBSA-N 1 2 417.893 4.114 20 5 HIBDLO O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000444301935 868732132 /nfs/dbraw/zinc/73/21/32/868732132.db2.gz PALZSNBDEJNOAB-UHFFFAOYSA-N 1 2 414.509 4.210 20 5 HIBDLO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000444683353 868956884 /nfs/dbraw/zinc/95/68/84/868956884.db2.gz GCRWDFAOTMKZQK-MRXNPFEDSA-N 1 2 417.263 4.189 20 5 HIBDLO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000444683353 868956896 /nfs/dbraw/zinc/95/68/96/868956896.db2.gz GCRWDFAOTMKZQK-MRXNPFEDSA-N 1 2 417.263 4.189 20 5 HIBDLO Cc1cccc2nc(C3CC[NH+]([C@H](C)C(=O)Nc4ccccc4[N+](=O)[O-])CC3)oc21 ZINC000444766276 868992205 /nfs/dbraw/zinc/99/22/05/868992205.db2.gz MYHZEYAECJWDEN-OAHLLOKOSA-N 1 2 408.458 4.251 20 5 HIBDLO C[C@H]1C[N@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC2(CCOCC2)O1 ZINC000448353489 872300690 /nfs/dbraw/zinc/30/06/90/872300690.db2.gz GYXCMPYDDYUISC-INIZCTEOSA-N 1 2 416.449 4.296 20 5 HIBDLO C[C@H]1C[N@@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC2(CCOCC2)O1 ZINC000448353489 872300707 /nfs/dbraw/zinc/30/07/07/872300707.db2.gz GYXCMPYDDYUISC-INIZCTEOSA-N 1 2 416.449 4.296 20 5 HIBDLO C[C@H](Nc1ccc(C(=O)Nc2cccc3[nH+]ccn32)cc1[N+](=O)[O-])c1ccccn1 ZINC000460343433 872958114 /nfs/dbraw/zinc/95/81/14/872958114.db2.gz NJZIWRBKWCIXPX-AWEZNQCLSA-N 1 2 402.414 4.063 20 5 HIBDLO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)c1 ZINC000460741036 873567715 /nfs/dbraw/zinc/56/77/15/873567715.db2.gz ZGDBVBDEFAXKSD-SFHVURJKSA-N 1 2 405.857 4.263 20 5 HIBDLO CC[C@H](NC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000463315702 876374981 /nfs/dbraw/zinc/37/49/81/876374981.db2.gz PYUXSDLZHYQFPF-KXBFYZLASA-N 1 2 402.520 4.196 20 5 HIBDLO COc1cc(C[N@H+](CCO)Cc2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])cc1F ZINC000464693224 877908068 /nfs/dbraw/zinc/90/80/68/877908068.db2.gz SXTYJEMVMFOBDS-UHFFFAOYSA-N 1 2 403.237 4.044 20 5 HIBDLO COc1cc(C[N@@H+](CCO)Cc2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])cc1F ZINC000464693224 877908097 /nfs/dbraw/zinc/90/80/97/877908097.db2.gz SXTYJEMVMFOBDS-UHFFFAOYSA-N 1 2 403.237 4.044 20 5 HIBDLO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]Cc3ccncc3OCC(F)(F)F)cs2)c1 ZINC000466413084 880181540 /nfs/dbraw/zinc/18/15/40/880181540.db2.gz BTAHNDHQYNQRNJ-UHFFFAOYSA-N 1 2 424.404 4.344 20 5 HIBDLO COc1ccc(C2CC[NH+]([C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CC2)cc1 ZINC000467157864 880891387 /nfs/dbraw/zinc/89/13/87/880891387.db2.gz JZSBIWGOCWJXHJ-AWEZNQCLSA-N 1 2 417.893 4.463 20 5 HIBDLO C[N@H+](C[C@H]1CCCCO1)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000467197019 880926735 /nfs/dbraw/zinc/92/67/35/880926735.db2.gz RMHWKCAOYFJLJZ-XLIONFOSSA-N 1 2 417.893 4.429 20 5 HIBDLO C[N@@H+](C[C@H]1CCCCO1)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000467197019 880926744 /nfs/dbraw/zinc/92/67/44/880926744.db2.gz RMHWKCAOYFJLJZ-XLIONFOSSA-N 1 2 417.893 4.429 20 5 HIBDLO Cc1ccc(NC(=O)c2ccc(N3CC[C@H](C)[C@@H](n4cc[nH+]c4)C3)c([N+](=O)[O-])c2)cc1 ZINC000469137211 883234205 /nfs/dbraw/zinc/23/42/05/883234205.db2.gz ZZUNORVUYDVFLS-JTSKRJEESA-N 1 2 419.485 4.440 20 5 HIBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000471937684 886735844 /nfs/dbraw/zinc/73/58/44/886735844.db2.gz UILBIXKUWCRZBK-LPHOPBHVSA-N 1 2 404.417 4.057 20 5 HIBDLO 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COc1cc(C[N@@H+](C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)ccc1SC ZINC000476241609 891165143 /nfs/dbraw/zinc/16/51/43/891165143.db2.gz JPOHHVNVPBZIIF-UHFFFAOYSA-N 1 2 400.460 4.007 20 5 HIBDLO COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(-c2[nH]cc[nH+]2)ccc1C ZINC000477979240 893075540 /nfs/dbraw/zinc/07/55/40/893075540.db2.gz YZILDGJSSAJYPJ-UHFFFAOYSA-N 1 2 412.471 4.284 20 5 HIBDLO CCc1nc2c(s1)[C@H]([N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)CCC2 ZINC000478059249 893218929 /nfs/dbraw/zinc/21/89/29/893218929.db2.gz MRJYUAMFIRZYEF-OAHLLOKOSA-N 1 2 408.911 4.215 20 5 HIBDLO CCc1nc2c(s1)[C@H]([N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)CCC2 ZINC000478059249 893218957 /nfs/dbraw/zinc/21/89/57/893218957.db2.gz MRJYUAMFIRZYEF-OAHLLOKOSA-N 1 2 408.911 4.215 20 5 HIBDLO COc1cc(C[NH2+][C@H](C)c2ccc(F)cc2F)c([N+](=O)[O-])cc1OCC(F)F ZINC000505457969 914128802 /nfs/dbraw/zinc/12/88/02/914128802.db2.gz PMMBGXDDKSAPCN-SNVBAGLBSA-N 1 2 402.344 4.376 20 5 HIBDLO 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C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000506357183 914979000 /nfs/dbraw/zinc/97/90/00/914979000.db2.gz RGBKAZUJXWIPGF-OAHLLOKOSA-N 1 2 414.483 4.451 20 5 HIBDLO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000506357183 914979014 /nfs/dbraw/zinc/97/90/14/914979014.db2.gz RGBKAZUJXWIPGF-OAHLLOKOSA-N 1 2 414.483 4.451 20 5 HIBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](Cc1ccccc1Cl)CC1CC1 ZINC000510246892 918783522 /nfs/dbraw/zinc/78/35/22/918783522.db2.gz YNRXKUAACAGTMP-UHFFFAOYSA-N 1 2 403.866 4.108 20 5 HIBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](Cc1ccccc1Cl)CC1CC1 ZINC000510246892 918783531 /nfs/dbraw/zinc/78/35/31/918783531.db2.gz YNRXKUAACAGTMP-UHFFFAOYSA-N 1 2 403.866 4.108 20 5 HIBDLO CC1CCN(c2ccc(C(=O)Nc3ccccc3-n3cc[nH+]c3)cc2[N+](=O)[O-])CC1 ZINC000515803645 923360179 /nfs/dbraw/zinc/36/01/79/923360179.db2.gz AZHHZNODEKVFEP-UHFFFAOYSA-N 1 2 405.458 4.269 20 5 HIBDLO Cn1ccnc1[C@@H]([NH2+]C[C@@H](Cc1ccccc1)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000516120922 923555857 /nfs/dbraw/zinc/55/58/57/923555857.db2.gz VYQFUEIJXDDLQU-MJGOQNOKSA-N 1 2 418.419 4.429 20 5 HIBDLO CC(C)[N@H+](Cc1nnc(-c2ccc(Br)o2)o1)Cc1ccc([N+](=O)[O-])cc1 ZINC000518565291 927349217 /nfs/dbraw/zinc/34/92/17/927349217.db2.gz OGCPAEARYGQIKJ-UHFFFAOYSA-N 1 2 421.251 4.411 20 5 HIBDLO CC(C)[N@@H+](Cc1nnc(-c2ccc(Br)o2)o1)Cc1ccc([N+](=O)[O-])cc1 ZINC000518565291 927349228 /nfs/dbraw/zinc/34/92/28/927349228.db2.gz OGCPAEARYGQIKJ-UHFFFAOYSA-N 1 2 421.251 4.411 20 5 HIBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+](Cc1cccc(Br)c1)C1CCOCC1 ZINC000521468645 929235103 /nfs/dbraw/zinc/23/51/03/929235103.db2.gz DTYPAPYIUNSRRQ-UHFFFAOYSA-N 1 2 421.291 4.244 20 5 HIBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+](Cc1cccc(Br)c1)C1CCOCC1 ZINC000521468645 929235115 /nfs/dbraw/zinc/23/51/15/929235115.db2.gz DTYPAPYIUNSRRQ-UHFFFAOYSA-N 1 2 421.291 4.244 20 5 HIBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000524553409 929682514 /nfs/dbraw/zinc/68/25/14/929682514.db2.gz LOVSAROXQDQSKK-HOTGVXAUSA-N 1 2 415.515 4.107 20 5 HIBDLO Cc1cc(-c2ncccc2NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cs1 ZINC000526099897 930531996 /nfs/dbraw/zinc/53/19/96/930531996.db2.gz JABKBPCXMHUPRG-UHFFFAOYSA-N 1 2 405.439 4.465 20 5 HIBDLO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000531741372 931179770 /nfs/dbraw/zinc/17/97/70/931179770.db2.gz AGBZEKSUKCUNAQ-QPJJXVBHSA-N 1 2 400.866 4.111 20 5 HIBDLO Cc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)o1 ZINC000532760704 931625264 /nfs/dbraw/zinc/62/52/64/931625264.db2.gz FCWAAQSLMBNQHL-ZDUSSCGKSA-N 1 2 400.460 4.079 20 5 HIBDLO Cc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)o1 ZINC000532760704 931625270 /nfs/dbraw/zinc/62/52/70/931625270.db2.gz FCWAAQSLMBNQHL-ZDUSSCGKSA-N 1 2 400.460 4.079 20 5 HIBDLO COc1cc(C[N@H+](C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)ccc1OC(F)F ZINC000535524875 933214796 /nfs/dbraw/zinc/21/47/96/933214796.db2.gz LFAKYYOKGSSZSP-UHFFFAOYSA-N 1 2 419.384 4.492 20 5 HIBDLO COc1cc(C[N@@H+](C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)ccc1OC(F)F ZINC000535524875 933214805 /nfs/dbraw/zinc/21/48/05/933214805.db2.gz LFAKYYOKGSSZSP-UHFFFAOYSA-N 1 2 419.384 4.492 20 5 HIBDLO CCC(=O)N1CCC[N@H+](Cc2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)CC1 ZINC000535811976 933406903 /nfs/dbraw/zinc/40/69/03/933406903.db2.gz PMVBHYVHMBAKEA-UHFFFAOYSA-N 1 2 413.543 4.499 20 5 HIBDLO CCC(=O)N1CCC[N@@H+](Cc2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)CC1 ZINC000535811976 933406910 /nfs/dbraw/zinc/40/69/10/933406910.db2.gz PMVBHYVHMBAKEA-UHFFFAOYSA-N 1 2 413.543 4.499 20 5 HIBDLO C[N@@H+]1CC[C@@H](NC(=O)CSc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535886467 933468438 /nfs/dbraw/zinc/46/84/38/933468438.db2.gz SWZRTNOPTZUSNX-IEBWSBKVSA-N 1 2 423.897 4.041 20 5 HIBDLO C[N@H+]1CC[C@@H](NC(=O)CSc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535886467 933468443 /nfs/dbraw/zinc/46/84/43/933468443.db2.gz SWZRTNOPTZUSNX-IEBWSBKVSA-N 1 2 423.897 4.041 20 5 HIBDLO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](Cc2cc(-c3ccccc3)cs2)CC1 ZINC000537614955 938333316 /nfs/dbraw/zinc/33/33/16/938333316.db2.gz NCNZQXPXGXBGIW-UHFFFAOYSA-N 1 2 407.495 4.281 20 5 HIBDLO CC[N@@H+]1CC[C@@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538053496 938485583 /nfs/dbraw/zinc/48/55/83/938485583.db2.gz SECPBUVUHVJNEK-MOPGFXCFSA-N 1 2 420.872 4.022 20 5 HIBDLO CC[N@H+]1CC[C@@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538053496 938485587 /nfs/dbraw/zinc/48/55/87/938485587.db2.gz SECPBUVUHVJNEK-MOPGFXCFSA-N 1 2 420.872 4.022 20 5 HIBDLO CCCOc1ccc([C@H](C)[NH2+]Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1OC ZINC000538150129 938522592 /nfs/dbraw/zinc/52/25/92/938522592.db2.gz JFPZVYGBEIVIBL-AWEZNQCLSA-N 1 2 412.446 4.293 20 5 HIBDLO 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C[C@H]([NH2+][C@@H](C)c1ccc(-n2cccn2)c(F)c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000550287158 941309580 /nfs/dbraw/zinc/30/95/80/941309580.db2.gz FCGHQRVLUNLMJR-KBPBESRZSA-N 1 2 422.420 4.381 20 5 HIBDLO COc1ccc2[nH]cc(C3=CC[N@H+](CC(=O)Nc4cc([N+](=O)[O-])ccc4C)CC3)c2c1 ZINC000555553668 942640643 /nfs/dbraw/zinc/64/06/43/942640643.db2.gz IQJMCHNDBVJYTG-UHFFFAOYSA-N 1 2 420.469 4.121 20 5 HIBDLO COc1ccc2[nH]cc(C3=CC[N@@H+](CC(=O)Nc4cc([N+](=O)[O-])ccc4C)CC3)c2c1 ZINC000555553668 942640667 /nfs/dbraw/zinc/64/06/67/942640667.db2.gz IQJMCHNDBVJYTG-UHFFFAOYSA-N 1 2 420.469 4.121 20 5 HIBDLO CO[C@H](C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 ZINC000556885072 942951304 /nfs/dbraw/zinc/95/13/04/942951304.db2.gz LDADFVJOYHHKPI-MOPGFXCFSA-N 1 2 400.866 4.048 20 5 HIBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000561135247 944475378 /nfs/dbraw/zinc/47/53/78/944475378.db2.gz CPSDQMLFDMLFJZ-ZCNNSNEGSA-N 1 2 402.454 4.189 20 5 HIBDLO O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000562287018 945053482 /nfs/dbraw/zinc/05/34/82/945053482.db2.gz OIJSGCPLIVDDCS-UHFFFAOYSA-N 1 2 417.469 4.385 20 5 HIBDLO CC[N@@H+]1CC[C@H](NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000567160294 946259236 /nfs/dbraw/zinc/25/92/36/946259236.db2.gz UVYQJVPLLWGENU-CWVNLOTRSA-N 1 2 419.884 4.443 20 5 HIBDLO CC[N@H+]1CC[C@H](NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000567160294 946259251 /nfs/dbraw/zinc/25/92/51/946259251.db2.gz UVYQJVPLLWGENU-CWVNLOTRSA-N 1 2 419.884 4.443 20 5 HIBDLO Cc1c(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cnn1-c1ccc(Cl)cc1 ZINC000574723256 948513180 /nfs/dbraw/zinc/51/31/80/948513180.db2.gz LKADHLQOGODEDG-UHFFFAOYSA-N 1 2 422.832 4.180 20 5 HIBDLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000436150947 861448768 /nfs/dbraw/zinc/44/87/68/861448768.db2.gz JQGFDHMCWBACHD-UHFFFAOYSA-N 1 2 418.522 4.376 20 5 HIBDLO COc1cc(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)c([N+](=O)[O-])cc1OC ZINC000436177538 861478728 /nfs/dbraw/zinc/47/87/28/861478728.db2.gz KESBCZABGVIBCG-UHFFFAOYSA-N 1 2 422.441 4.064 20 5 HIBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000008262229 845501553 /nfs/dbraw/zinc/50/15/53/845501553.db2.gz OACBROZCNGXQEQ-OAHLLOKOSA-N 1 2 410.499 4.331 20 5 HIBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000008262229 845501563 /nfs/dbraw/zinc/50/15/63/845501563.db2.gz OACBROZCNGXQEQ-OAHLLOKOSA-N 1 2 410.499 4.331 20 5 HIBDLO Cc1cccc(C(=O)Nc2nc3c(s2)C[N@H+](Cc2ccccc2)CC3)c1[N+](=O)[O-] ZINC000016003185 846111239 /nfs/dbraw/zinc/11/12/39/846111239.db2.gz RMXXBIFBJMEPKO-UHFFFAOYSA-N 1 2 408.483 4.170 20 5 HIBDLO Cc1cccc(C(=O)Nc2nc3c(s2)C[N@@H+](Cc2ccccc2)CC3)c1[N+](=O)[O-] ZINC000016003185 846111245 /nfs/dbraw/zinc/11/12/45/846111245.db2.gz RMXXBIFBJMEPKO-UHFFFAOYSA-N 1 2 408.483 4.170 20 5 HIBDLO CCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1 ZINC000046182577 848796952 /nfs/dbraw/zinc/79/69/52/848796952.db2.gz UBQXGBWIBMOVRP-UHFFFAOYSA-N 1 2 413.821 4.035 20 5 HIBDLO O=C(Nc1ccc(-n2cnc3ccccc32)cc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000046744017 848924412 /nfs/dbraw/zinc/92/44/12/848924412.db2.gz VZDOJXREJHXIOG-UHFFFAOYSA-N 1 2 424.420 4.372 20 5 HIBDLO O=C(c1ccccc1)c1ccc(NC2CCN(c3cccc[nH+]3)CC2)c([N+](=O)[O-])c1 ZINC000052184896 849558214 /nfs/dbraw/zinc/55/82/14/849558214.db2.gz VJKFFZYPYASYJM-UHFFFAOYSA-N 1 2 402.454 4.302 20 5 HIBDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 ZINC000058296489 850794938 /nfs/dbraw/zinc/79/49/38/850794938.db2.gz WGAKXIQJPYBJHM-ZDUSSCGKSA-N 1 2 416.890 4.414 20 5 HIBDLO O=[N+]([O-])c1cnccc1N1CC[NH+](C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000060342892 851069922 /nfs/dbraw/zinc/06/99/22/851069922.db2.gz FGDVILYDJIEBEZ-UHFFFAOYSA-N 1 2 410.424 4.180 20 5 HIBDLO O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000060349574 851072195 /nfs/dbraw/zinc/07/21/95/851072195.db2.gz PAKINGPMHLRVKW-UHFFFAOYSA-N 1 2 415.799 4.295 20 5 HIBDLO CCCN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@@H]1CCc2ccccc2C1 ZINC000072024141 852471178 /nfs/dbraw/zinc/47/11/78/852471178.db2.gz LAIUNPHUKHLOIG-HXUWFJFHSA-N 1 2 404.470 4.190 20 5 HIBDLO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1cc2ccccc2c2cccnc12 ZINC000084536135 852545150 /nfs/dbraw/zinc/54/51/50/852545150.db2.gz KXZKJVICORRZRI-OAQYLSRUSA-N 1 2 411.505 4.019 20 5 HIBDLO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1cc2ccccc2c2cccnc12 ZINC000084536135 852545154 /nfs/dbraw/zinc/54/51/54/852545154.db2.gz KXZKJVICORRZRI-OAQYLSRUSA-N 1 2 411.505 4.019 20 5 HIBDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000108636326 852867491 /nfs/dbraw/zinc/86/74/91/852867491.db2.gz YTDSFAWZPZJRBR-OKILXGFUSA-N 1 2 403.866 4.110 20 5 HIBDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000108636326 852867496 /nfs/dbraw/zinc/86/74/96/852867496.db2.gz YTDSFAWZPZJRBR-OKILXGFUSA-N 1 2 403.866 4.110 20 5 HIBDLO CCc1ccc([C@H](COC)[NH2+]Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)o1 ZINC000236977820 853945214 /nfs/dbraw/zinc/94/52/14/853945214.db2.gz FIPUVDYXZRLEEA-SFHVURJKSA-N 1 2 400.431 4.496 20 5 HIBDLO O=C(C[NH+]1CCC(Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)Nc1ccccc1 ZINC000301069014 854286537 /nfs/dbraw/zinc/28/65/37/854286537.db2.gz GYWKWSXXSDKRDR-UHFFFAOYSA-N 1 2 422.407 4.129 20 5 HIBDLO Cc1nc(Sc2nnc([C@@H](C)[NH+](C)C)n2-c2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000301651166 854437403 /nfs/dbraw/zinc/43/74/03/854437403.db2.gz QBRVZWJHILZHTJ-GFCCVEGCSA-N 1 2 418.910 4.306 20 5 HIBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000303428027 854928747 /nfs/dbraw/zinc/92/87/47/854928747.db2.gz BFJRPNNKPBAIDG-INIZCTEOSA-N 1 2 420.872 4.482 20 5 HIBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000303428027 854928758 /nfs/dbraw/zinc/92/87/58/854928758.db2.gz BFJRPNNKPBAIDG-INIZCTEOSA-N 1 2 420.872 4.482 20 5 HIBDLO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1OC ZINC000303624143 855083893 /nfs/dbraw/zinc/08/38/93/855083893.db2.gz NNTZGFPANYGPLB-INIZCTEOSA-N 1 2 419.865 4.041 20 5 HIBDLO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1OC ZINC000303624143 855083895 /nfs/dbraw/zinc/08/38/95/855083895.db2.gz NNTZGFPANYGPLB-INIZCTEOSA-N 1 2 419.865 4.041 20 5 HIBDLO Cc1ccc([C@H](C)NC(=O)Nc2ccccc2OCCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000428892232 857395467 /nfs/dbraw/zinc/39/54/67/857395467.db2.gz LEAQKVAGKMHYGW-INIZCTEOSA-N 1 2 409.446 4.061 20 5 HIBDLO COc1ccc(NC(=O)C[N@@H+]2CC[C@@H](Sc3cccc(Cl)c3)C2)c([N+](=O)[O-])c1 ZINC000429130922 857524949 /nfs/dbraw/zinc/52/49/49/857524949.db2.gz VUHGWKWVKGVHFT-MRXNPFEDSA-N 1 2 421.906 4.062 20 5 HIBDLO COc1ccc(NC(=O)C[N@H+]2CC[C@@H](Sc3cccc(Cl)c3)C2)c([N+](=O)[O-])c1 ZINC000429130922 857524957 /nfs/dbraw/zinc/52/49/57/857524957.db2.gz VUHGWKWVKGVHFT-MRXNPFEDSA-N 1 2 421.906 4.062 20 5 HIBDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000429514580 857709932 /nfs/dbraw/zinc/70/99/32/857709932.db2.gz IFEDAZXSWMKNKI-UHFFFAOYSA-N 1 2 419.485 4.012 20 5 HIBDLO COc1ccc([C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2OC)c2ccccc2OC)cc1 ZINC000429810155 857892750 /nfs/dbraw/zinc/89/27/50/857892750.db2.gz SYSRTQBDEGGNEF-QHCPKHFHSA-N 1 2 408.454 4.500 20 5 HIBDLO COc1cc(CNc2cccc(-n3cc[nH+]c3)c2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000432608186 859253559 /nfs/dbraw/zinc/25/35/59/859253559.db2.gz RRVUBHLMRFNCQY-UHFFFAOYSA-N 1 2 422.363 4.342 20 5 HIBDLO C[C@H](c1cccc(NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000432808140 859369604 /nfs/dbraw/zinc/36/96/04/859369604.db2.gz HZVKNJHRTLTQFI-MRXNPFEDSA-N 1 2 412.490 4.045 20 5 HIBDLO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](c3cccc(Cl)c3)C2)c([N+](=O)[O-])c1 ZINC000433306129 859628962 /nfs/dbraw/zinc/62/89/62/859628962.db2.gz REQKORHCABGDJH-HIFRSBDPSA-N 1 2 403.866 4.073 20 5 HIBDLO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](c3cccc(Cl)c3)C2)c([N+](=O)[O-])c1 ZINC000433306129 859628971 /nfs/dbraw/zinc/62/89/71/859628971.db2.gz REQKORHCABGDJH-HIFRSBDPSA-N 1 2 403.866 4.073 20 5 HIBDLO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000435337177 860747287 /nfs/dbraw/zinc/74/72/87/860747287.db2.gz TVRZCWNDTVEBMC-UHFFFAOYSA-N 1 2 419.268 4.441 20 5 HIBDLO C[C@H](c1cccc(NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)c1)[NH+]1CCOCC1 ZINC000437763029 863082691 /nfs/dbraw/zinc/08/26/91/863082691.db2.gz KCPNTDWTLLQAHT-QGZVFWFLSA-N 1 2 424.501 4.185 20 5 HIBDLO COc1ccc(C[N@@H+]2CCc3ncsc3C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000438357447 863823237 /nfs/dbraw/zinc/82/32/37/863823237.db2.gz XJUHJTZCPRDNQO-UHFFFAOYSA-N 1 2 411.483 4.197 20 5 HIBDLO COc1ccc(C[N@H+]2CCc3ncsc3C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000438357447 863823238 /nfs/dbraw/zinc/82/32/38/863823238.db2.gz XJUHJTZCPRDNQO-UHFFFAOYSA-N 1 2 411.483 4.197 20 5 HIBDLO Cn1c[nH+]cc1COc1ccc(Cl)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000439562560 864887515 /nfs/dbraw/zinc/88/75/15/864887515.db2.gz SGECVUQYCLCPGF-UHFFFAOYSA-N 1 2 421.240 4.466 20 5 HIBDLO C[C@@H](c1ccco1)[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C1CC1 ZINC000440901366 865997630 /nfs/dbraw/zinc/99/76/30/865997630.db2.gz YRVNTQOVEPBCQS-NSHDSACASA-N 1 2 408.252 4.114 20 5 HIBDLO C[C@@H](c1ccco1)[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C1CC1 ZINC000440901366 865997652 /nfs/dbraw/zinc/99/76/52/865997652.db2.gz YRVNTQOVEPBCQS-NSHDSACASA-N 1 2 408.252 4.114 20 5 HIBDLO CCO[C@H](C)c1nc(CN2CC[NH+]([C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)cs1 ZINC000441346427 866417007 /nfs/dbraw/zinc/41/70/07/866417007.db2.gz ADFPMYHFXHTXAX-JKSUJKDBSA-N 1 2 404.536 4.028 20 5 HIBDLO CCNc1ccc(C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC000441482223 866562861 /nfs/dbraw/zinc/56/28/61/866562861.db2.gz QPXKNZXWGDRUSS-FQEVSTJZSA-N 1 2 407.474 4.011 20 5 HIBDLO CC[C@H](c1ccc(F)cc1F)[NH+]1CCN(Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000441486017 866566916 /nfs/dbraw/zinc/56/69/16/866566916.db2.gz MFUFPTSZWGAAJP-LJQANCHMSA-N 1 2 405.445 4.151 20 5 HIBDLO COc1ccc(OCC[N@@H+]2CCCC[C@H]2c2nc(-c3ccccc3)no2)c([N+](=O)[O-])c1 ZINC000441488808 866571148 /nfs/dbraw/zinc/57/11/48/866571148.db2.gz IEKYQKRUZBVTGE-SFHVURJKSA-N 1 2 424.457 4.259 20 5 HIBDLO COc1ccc(OCC[N@H+]2CCCC[C@H]2c2nc(-c3ccccc3)no2)c([N+](=O)[O-])c1 ZINC000441488808 866571161 /nfs/dbraw/zinc/57/11/61/866571161.db2.gz IEKYQKRUZBVTGE-SFHVURJKSA-N 1 2 424.457 4.259 20 5 HIBDLO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[N@@H+]2CCOC[C@@]23CCOC3)cc1 ZINC000443062623 867806709 /nfs/dbraw/zinc/80/67/09/867806709.db2.gz LVTGAFAATIDFFQ-FQEVSTJZSA-N 1 2 404.850 4.032 20 5 HIBDLO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[N@H+]2CCOC[C@@]23CCOC3)cc1 ZINC000443062623 867806713 /nfs/dbraw/zinc/80/67/13/867806713.db2.gz LVTGAFAATIDFFQ-FQEVSTJZSA-N 1 2 404.850 4.032 20 5 HIBDLO COc1ccc([C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC)c2ccccc2OC)cc1 ZINC000443464083 868054304 /nfs/dbraw/zinc/05/43/04/868054304.db2.gz KQQLBUZQMNMMGJ-QHCPKHFHSA-N 1 2 408.454 4.500 20 5 HIBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCC[C@H](Oc4ccccc4Cl)C3)o2)cc1 ZINC000443636662 868216667 /nfs/dbraw/zinc/21/66/67/868216667.db2.gz CLFFDXFOQZEEKU-INIZCTEOSA-N 1 2 414.849 4.342 20 5 HIBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCC[C@H](Oc4ccccc4Cl)C3)o2)cc1 ZINC000443636662 868216688 /nfs/dbraw/zinc/21/66/88/868216688.db2.gz CLFFDXFOQZEEKU-INIZCTEOSA-N 1 2 414.849 4.342 20 5 HIBDLO CCO[C@@H](C)c1nc(C[N@H+](C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)cs1 ZINC000444248757 868696450 /nfs/dbraw/zinc/69/64/50/868696450.db2.gz WGPCZRRWPRUXCB-AWEZNQCLSA-N 1 2 416.503 4.478 20 5 HIBDLO CCO[C@@H](C)c1nc(C[N@@H+](C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)cs1 ZINC000444248757 868696455 /nfs/dbraw/zinc/69/64/55/868696455.db2.gz WGPCZRRWPRUXCB-AWEZNQCLSA-N 1 2 416.503 4.478 20 5 HIBDLO CC(C)CCSc1ccc(C(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)cc1[N+](=O)[O-] ZINC000444675227 868952717 /nfs/dbraw/zinc/95/27/17/868952717.db2.gz LZENMHDQOKTBCS-KRWDZBQOSA-N 1 2 416.547 4.486 20 5 HIBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@H](c2cccc(Cl)c2)OC[C@H]1C ZINC000444708358 868968005 /nfs/dbraw/zinc/96/80/05/868968005.db2.gz QHMMBZCWJJAYMM-FOIQADDNSA-N 1 2 417.893 4.347 20 5 HIBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H](c2cccc(Cl)c2)OC[C@H]1C ZINC000444708358 868968012 /nfs/dbraw/zinc/96/80/12/868968012.db2.gz QHMMBZCWJJAYMM-FOIQADDNSA-N 1 2 417.893 4.347 20 5 HIBDLO C[C@H]([NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(Br)cc1 ZINC000444743949 868984200 /nfs/dbraw/zinc/98/42/00/868984200.db2.gz KLOFHXYSRQXJMM-NSHDSACASA-N 1 2 403.236 4.258 20 5 HIBDLO C[C@H]([NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1ccc(Br)cc1 ZINC000444746350 868985875 /nfs/dbraw/zinc/98/58/75/868985875.db2.gz DCNDXAOMFSSGHO-NSHDSACASA-N 1 2 403.236 4.258 20 5 HIBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000463084600 876116518 /nfs/dbraw/zinc/11/65/18/876116518.db2.gz ODKPUECLTRWASS-AWEZNQCLSA-N 1 2 405.545 4.287 20 5 HIBDLO C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000469384574 883526262 /nfs/dbraw/zinc/52/62/62/883526262.db2.gz VADRRFYYELYVLY-JXFKEZNVSA-N 1 2 406.442 4.307 20 5 HIBDLO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H](c1cccc(F)c1)c1cccc(Br)c1 ZINC000470556093 884969998 /nfs/dbraw/zinc/96/99/98/884969998.db2.gz MHCXWZXWMNNSAZ-KRWDZBQOSA-N 1 2 419.254 4.109 20 5 HIBDLO O=C(Nc1cc(F)cc(NCC(F)(F)F)c1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000473233974 888004024 /nfs/dbraw/zinc/00/40/24/888004024.db2.gz BRHBDYHIISDPDD-UHFFFAOYSA-N 1 2 423.326 4.146 20 5 HIBDLO C[C@H](c1nnc(SCc2ccc([N+](=O)[O-])cc2F)n1-c1ccc(F)cc1)[NH+](C)C ZINC000476475385 891385938 /nfs/dbraw/zinc/38/59/38/891385938.db2.gz DLDFUVJBXQKJNJ-GFCCVEGCSA-N 1 2 419.457 4.369 20 5 HIBDLO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000477399503 892354653 /nfs/dbraw/zinc/35/46/53/892354653.db2.gz AFTSLAODTPLGGL-QAPCUYQASA-N 1 2 409.820 4.010 20 5 HIBDLO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000477399503 892354679 /nfs/dbraw/zinc/35/46/79/892354679.db2.gz AFTSLAODTPLGGL-QAPCUYQASA-N 1 2 409.820 4.010 20 5 HIBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N(CCC(F)(F)F)Cc1ccccc1 ZINC000482393668 897927709 /nfs/dbraw/zinc/92/77/09/897927709.db2.gz WVTNPWXNMCFQCE-UHFFFAOYSA-N 1 2 418.375 4.375 20 5 HIBDLO COc1cc(C[NH2+]C2(c3nccs3)CCCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000505589833 914296907 /nfs/dbraw/zinc/29/69/07/914296907.db2.gz BNXLCMOBMPSUGJ-UHFFFAOYSA-N 1 2 413.446 4.263 20 5 HIBDLO CC[N@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000505638065 914337931 /nfs/dbraw/zinc/33/79/31/914337931.db2.gz RORBDWNGLXRQHW-UHFFFAOYSA-N 1 2 412.490 4.137 20 5 HIBDLO CC[N@@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000505638065 914337946 /nfs/dbraw/zinc/33/79/46/914337946.db2.gz RORBDWNGLXRQHW-UHFFFAOYSA-N 1 2 412.490 4.137 20 5 HIBDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000486021478 901228327 /nfs/dbraw/zinc/22/83/27/901228327.db2.gz YIHSQPYNDFFROO-IYBDPMFKSA-N 1 2 424.501 4.031 20 5 HIBDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000486021478 901228336 /nfs/dbraw/zinc/22/83/36/901228336.db2.gz YIHSQPYNDFFROO-IYBDPMFKSA-N 1 2 424.501 4.031 20 5 HIBDLO O=C(Nc1ccc(Oc2ccccc2F)nc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000488874420 903051251 /nfs/dbraw/zinc/05/12/51/903051251.db2.gz CMZILOHRGTZCRU-UHFFFAOYSA-N 1 2 419.372 4.359 20 5 HIBDLO COC[C@H](c1ccc(Cl)cc1)[N@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000490041605 903737909 /nfs/dbraw/zinc/73/79/09/903737909.db2.gz NHCWQMMCEQCBPG-QGZVFWFLSA-N 1 2 402.838 4.118 20 5 HIBDLO COC[C@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000490041605 903737918 /nfs/dbraw/zinc/73/79/18/903737918.db2.gz NHCWQMMCEQCBPG-QGZVFWFLSA-N 1 2 402.838 4.118 20 5 HIBDLO COC[C@@H](c1ccc(Cl)cc1)[N@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000490057176 903747656 /nfs/dbraw/zinc/74/76/56/903747656.db2.gz HTRUJUBOBBFUQQ-KRWDZBQOSA-N 1 2 412.273 4.160 20 5 HIBDLO COC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000490057176 903747664 /nfs/dbraw/zinc/74/76/64/903747664.db2.gz HTRUJUBOBBFUQQ-KRWDZBQOSA-N 1 2 412.273 4.160 20 5 HIBDLO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000506209749 914846120 /nfs/dbraw/zinc/84/61/20/914846120.db2.gz LOPCMAORWAZBLG-UHFFFAOYSA-N 1 2 403.504 4.390 20 5 HIBDLO COCC[N@H+](Cc1ccc(Br)s1)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000494270960 905593774 /nfs/dbraw/zinc/59/37/74/905593774.db2.gz LYJONTBVOLMLLX-UHFFFAOYSA-N 1 2 415.309 4.076 20 5 HIBDLO COCC[N@@H+](Cc1ccc(Br)s1)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000494270960 905593802 /nfs/dbraw/zinc/59/38/02/905593802.db2.gz LYJONTBVOLMLLX-UHFFFAOYSA-N 1 2 415.309 4.076 20 5 HIBDLO O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000498656884 908094935 /nfs/dbraw/zinc/09/49/35/908094935.db2.gz AVEVXSJKONDGNR-UHFFFAOYSA-N 1 2 411.421 4.311 20 5 HIBDLO COC[C@H]1CCC[N@@H+]([C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C1 ZINC000499087047 908449844 /nfs/dbraw/zinc/44/98/44/908449844.db2.gz QFRRXDAUPBYRCO-MGPUTAFESA-N 1 2 417.893 4.286 20 5 HIBDLO COC[C@H]1CCC[N@H+]([C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C1 ZINC000499087047 908449853 /nfs/dbraw/zinc/44/98/53/908449853.db2.gz QFRRXDAUPBYRCO-MGPUTAFESA-N 1 2 417.893 4.286 20 5 HIBDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])c(C)c1 ZINC000500112549 909592311 /nfs/dbraw/zinc/59/23/11/909592311.db2.gz SHFTVVJAMBTNNW-NRFANRHFSA-N 1 2 421.501 4.034 20 5 HIBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1CCC(F)(c2ccc(Cl)cc2)CC1 ZINC000500160953 909640948 /nfs/dbraw/zinc/64/09/48/909640948.db2.gz DOCFXILJUMISIF-UHFFFAOYSA-N 1 2 405.857 4.456 20 5 HIBDLO O=C(NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000501036992 910251702 /nfs/dbraw/zinc/25/17/02/910251702.db2.gz OXQWPUPGLNGXKO-KRWDZBQOSA-N 1 2 406.845 4.346 20 5 HIBDLO C[C@H]1CO[C@@H](c2cccc(Cl)c2)C[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000501864214 910893672 /nfs/dbraw/zinc/89/36/72/910893672.db2.gz QIIMSRHACCLGMT-IFXJQAMLSA-N 1 2 403.866 4.039 20 5 HIBDLO C[C@H]1CO[C@@H](c2cccc(Cl)c2)C[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000501864214 910893674 /nfs/dbraw/zinc/89/36/74/910893674.db2.gz QIIMSRHACCLGMT-IFXJQAMLSA-N 1 2 403.866 4.039 20 5 HIBDLO COc1cc(C[N@H+](C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)ccc1SC ZINC000507682295 916453054 /nfs/dbraw/zinc/45/30/54/916453054.db2.gz CGHRYORRUJFALR-UHFFFAOYSA-N 1 2 400.460 4.007 20 5 HIBDLO COc1cc(C[N@@H+](C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)ccc1SC ZINC000507682295 916453063 /nfs/dbraw/zinc/45/30/63/916453063.db2.gz CGHRYORRUJFALR-UHFFFAOYSA-N 1 2 400.460 4.007 20 5 HIBDLO CCOc1ccc(C2=CC[N@H+](Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)CC2)cc1 ZINC000509421127 918081527 /nfs/dbraw/zinc/08/15/27/918081527.db2.gz YSGQTASINBJOKE-UHFFFAOYSA-N 1 2 406.442 4.333 20 5 HIBDLO CCOc1ccc(C2=CC[N@@H+](Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)CC2)cc1 ZINC000509421127 918081547 /nfs/dbraw/zinc/08/15/47/918081547.db2.gz YSGQTASINBJOKE-UHFFFAOYSA-N 1 2 406.442 4.333 20 5 HIBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000510959848 919498555 /nfs/dbraw/zinc/49/85/55/919498555.db2.gz QDCSBDMBGZUGNB-UHFFFAOYSA-N 1 2 408.483 4.170 20 5 HIBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000510959848 919498592 /nfs/dbraw/zinc/49/85/92/919498592.db2.gz QDCSBDMBGZUGNB-UHFFFAOYSA-N 1 2 408.483 4.170 20 5 HIBDLO Cc1cccc([C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C(F)(F)F)c1 ZINC000511706579 920371368 /nfs/dbraw/zinc/37/13/68/920371368.db2.gz ZPRSYNNIOXEVDI-QGZVFWFLSA-N 1 2 404.348 4.122 20 5 HIBDLO Cn1ccnc1[C@H]([NH2+]CCOc1ccc(C(F)(F)F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000513713842 922032354 /nfs/dbraw/zinc/03/23/54/922032354.db2.gz USKYLZVQHAVQSV-GOSISDBHSA-N 1 2 420.391 4.105 20 5 HIBDLO Cn1ccnc1[C@H]([NH2+]C[C@@H](Cc1ccccc1)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000516120920 923556463 /nfs/dbraw/zinc/55/64/63/923556463.db2.gz VYQFUEIJXDDLQU-IEBWSBKVSA-N 1 2 418.419 4.429 20 5 HIBDLO COc1ccc(Br)c(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)c1 ZINC000520958754 928889587 /nfs/dbraw/zinc/88/95/87/928889587.db2.gz GPWDBBHYJGXVCT-UHFFFAOYSA-N 1 2 417.206 4.257 20 5 HIBDLO CCOc1ccc([C@H](C)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)[nH+]c2)cc1[N+](=O)[O-] ZINC000530524762 930737827 /nfs/dbraw/zinc/73/78/27/930737827.db2.gz PUXLEHVINKFSAX-JYJNAYRXSA-N 1 2 400.479 4.175 20 5 HIBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1csc(CNC(=O)c2ccccc2)n1 ZINC000531978398 931273209 /nfs/dbraw/zinc/27/32/09/931273209.db2.gz WTMROKXXIKJRKF-OAHLLOKOSA-N 1 2 410.499 4.141 20 5 HIBDLO Cc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)o1 ZINC000532760703 931625186 /nfs/dbraw/zinc/62/51/86/931625186.db2.gz FCWAAQSLMBNQHL-CYBMUJFWSA-N 1 2 400.460 4.079 20 5 HIBDLO Cc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)o1 ZINC000532760703 931625191 /nfs/dbraw/zinc/62/51/91/931625191.db2.gz FCWAAQSLMBNQHL-CYBMUJFWSA-N 1 2 400.460 4.079 20 5 HIBDLO O=C(C[N@@H+]1CCCC[C@H]1c1cc2ccccc2[nH]1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000533061973 931758811 /nfs/dbraw/zinc/75/88/11/931758811.db2.gz MAKUVANIHZZKOC-QFIPXVFZSA-N 1 2 404.470 4.192 20 5 HIBDLO O=C(C[N@H+]1CCCC[C@H]1c1cc2ccccc2[nH]1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000533061973 931758818 /nfs/dbraw/zinc/75/88/18/931758818.db2.gz MAKUVANIHZZKOC-QFIPXVFZSA-N 1 2 404.470 4.192 20 5 HIBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@@H](c2ccccc2Cl)OC[C@H]1C ZINC000533439715 931870155 /nfs/dbraw/zinc/87/01/55/931870155.db2.gz VZDPYCPKUXHEIR-QRWLVFNGSA-N 1 2 417.893 4.347 20 5 HIBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H](c2ccccc2Cl)OC[C@H]1C ZINC000533439715 931870157 /nfs/dbraw/zinc/87/01/57/931870157.db2.gz VZDPYCPKUXHEIR-QRWLVFNGSA-N 1 2 417.893 4.347 20 5 HIBDLO Cc1c(NC(=O)CC[N@H+]2C[C@H](c3ccccc3Cl)OC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000533441411 931870314 /nfs/dbraw/zinc/87/03/14/931870314.db2.gz ALJRORNOZBXVDZ-VBKZILBWSA-N 1 2 417.893 4.347 20 5 HIBDLO Cc1c(NC(=O)CC[N@@H+]2C[C@H](c3ccccc3Cl)OC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000533441411 931870317 /nfs/dbraw/zinc/87/03/17/931870317.db2.gz ALJRORNOZBXVDZ-VBKZILBWSA-N 1 2 417.893 4.347 20 5 HIBDLO COc1cccc(C[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]2CCCO2)c1 ZINC000534114549 932286423 /nfs/dbraw/zinc/28/64/23/932286423.db2.gz NZYWSIHAFRCROP-JOCHJYFZSA-N 1 2 423.469 4.440 20 5 HIBDLO COc1cccc(C[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]2CCCO2)c1 ZINC000534114549 932286429 /nfs/dbraw/zinc/28/64/29/932286429.db2.gz NZYWSIHAFRCROP-JOCHJYFZSA-N 1 2 423.469 4.440 20 5 HIBDLO C[N@@H+]1CC[C@@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534394674 932420180 /nfs/dbraw/zinc/42/01/80/932420180.db2.gz VFWOXKOVUQLCRR-DNVCBOLYSA-N 1 2 416.840 4.044 20 5 HIBDLO C[N@H+]1CC[C@@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534394674 932420187 /nfs/dbraw/zinc/42/01/87/932420187.db2.gz VFWOXKOVUQLCRR-DNVCBOLYSA-N 1 2 416.840 4.044 20 5 HIBDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)C1 ZINC000534407316 932429060 /nfs/dbraw/zinc/42/90/60/932429060.db2.gz XKNOXYTTZYNZMS-INIZCTEOSA-N 1 2 408.483 4.109 20 5 HIBDLO CCOc1ccc(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)cc1[N+](=O)[O-] ZINC000534553497 932559923 /nfs/dbraw/zinc/55/99/23/932559923.db2.gz AARAMQZQJDLIHE-UHFFFAOYSA-N 1 2 404.426 4.161 20 5 HIBDLO C[C@@H]([NH2+]CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1c(F)cccc1F ZINC000538130415 938515160 /nfs/dbraw/zinc/51/51/60/938515160.db2.gz UNRJHNQMAQZWRP-LLVKDONJSA-N 1 2 418.425 4.286 20 5 HIBDLO Cn1cc(CNc2ccc(-n3cc[nH+]c3)c(Cl)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000538833884 938722391 /nfs/dbraw/zinc/72/23/91/938722391.db2.gz BXGGXEQDPMOCGP-UHFFFAOYSA-N 1 2 408.849 4.447 20 5 HIBDLO Cc1ccc(C[C@H]2CCCN(C(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)C2)cc1 ZINC000563641547 945229684 /nfs/dbraw/zinc/22/96/84/945229684.db2.gz ISHSQCXZVKTSEN-LJQANCHMSA-N 1 2 404.470 4.184 20 5 HIBDLO O=C(CSc1ccccc1[N+](=O)[O-])Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000542224839 939764370 /nfs/dbraw/zinc/76/43/70/939764370.db2.gz ONXWNDHDDDBPNG-UHFFFAOYSA-N 1 2 406.467 4.241 20 5 HIBDLO Cc1nc(NCc2cccc(C(=O)N(Cc3ccccc3[N+](=O)[O-])C3CC3)c2)cc[nH+]1 ZINC000542650917 939851551 /nfs/dbraw/zinc/85/15/51/939851551.db2.gz YLWGMUIAWMUEGB-UHFFFAOYSA-N 1 2 417.469 4.110 20 5 HIBDLO CCc1ccc([C@@H](Nc2ccc(N3CCOCC3)c[nH+]2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000543423379 940060381 /nfs/dbraw/zinc/06/03/81/940060381.db2.gz SYDGRXGIIZORCP-QFIPXVFZSA-N 1 2 408.458 4.183 20 5 HIBDLO CC[C@H]([NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1nc(C(F)(F)F)cs1 ZINC000543493820 940083343 /nfs/dbraw/zinc/08/33/43/940083343.db2.gz ZOWUDNNBMGNYMX-SKDRFNHKSA-N 1 2 402.398 4.138 20 5 HIBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)c1 ZINC000544033667 940305839 /nfs/dbraw/zinc/30/58/39/940305839.db2.gz IWAZITVCOKAASP-CYBMUJFWSA-N 1 2 420.338 4.249 20 5 HIBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)c1 ZINC000544033667 940305842 /nfs/dbraw/zinc/30/58/42/940305842.db2.gz IWAZITVCOKAASP-CYBMUJFWSA-N 1 2 420.338 4.249 20 5 HIBDLO C[C@@H](c1ccc(C(F)(F)F)cc1)[N@H+](C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000544057339 940312930 /nfs/dbraw/zinc/31/29/30/940312930.db2.gz IHCKIGOKPLKEGU-ZDUSSCGKSA-N 1 2 416.421 4.080 20 5 HIBDLO C[C@@H](c1ccc(C(F)(F)F)cc1)[N@@H+](C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000544057339 940312935 /nfs/dbraw/zinc/31/29/35/940312935.db2.gz IHCKIGOKPLKEGU-ZDUSSCGKSA-N 1 2 416.421 4.080 20 5 HIBDLO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2nc(C(C)(C)C)cs2)c([N+](=O)[O-])c1 ZINC000544489919 940455319 /nfs/dbraw/zinc/45/53/19/940455319.db2.gz DGWCDDDDCMXBJG-VXGBXAGGSA-N 1 2 406.508 4.035 20 5 HIBDLO Cc1cccn2cc(Cc3noc([C@@H](C)Oc4ccc(Cl)cc4[N+](=O)[O-])n3)[nH+]c12 ZINC000544598358 940487711 /nfs/dbraw/zinc/48/77/11/940487711.db2.gz FWIOHJCDNUYZER-GFCCVEGCSA-N 1 2 413.821 4.318 20 5 HIBDLO Cc1cccn2cc(Cc3noc(-c4cc([N+](=O)[O-])cc(C(F)(F)F)c4)n3)[nH+]c12 ZINC000546386955 940807711 /nfs/dbraw/zinc/80/77/11/940807711.db2.gz LELXWAYBRWAWPB-UHFFFAOYSA-N 1 2 403.320 4.211 20 5 HIBDLO Cc1nnc([C@@H](C)[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)s1 ZINC000546767122 940879158 /nfs/dbraw/zinc/87/91/58/940879158.db2.gz HIDXEXNFZNWJLC-CQSZACIVSA-N 1 2 420.498 4.458 20 5 HIBDLO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1csc(COc2ccc(F)cc2)n1 ZINC000548936475 941131001 /nfs/dbraw/zinc/13/10/01/941131001.db2.gz SSKZKTXZCQBAJW-UHFFFAOYSA-N 1 2 401.463 4.444 20 5 HIBDLO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1csc(COc2ccc(F)cc2)n1 ZINC000548936475 941131002 /nfs/dbraw/zinc/13/10/02/941131002.db2.gz SSKZKTXZCQBAJW-UHFFFAOYSA-N 1 2 401.463 4.444 20 5 HIBDLO C[C@H](C(=O)N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1)C(C)(F)F ZINC000549810767 941208158 /nfs/dbraw/zinc/20/81/58/941208158.db2.gz RPFDAOVBBYLUDW-CQSZACIVSA-N 1 2 423.485 4.259 20 5 HIBDLO O=C(NC1(c2cccc(C(F)(F)F)c2)CC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000550898650 941380424 /nfs/dbraw/zinc/38/04/24/941380424.db2.gz IFQYYPYFIJAMNA-UHFFFAOYSA-N 1 2 416.359 4.218 20 5 HIBDLO Cc1ccc([N+](=O)[O-])c(N(CCn2cc[nH+]c2)Cc2ccc(Br)o2)c1 ZINC000553243289 941855701 /nfs/dbraw/zinc/85/57/01/941855701.db2.gz WNOCTGNMLANJLT-UHFFFAOYSA-N 1 2 405.252 4.162 20 5 HIBDLO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000556112982 942807044 /nfs/dbraw/zinc/80/70/44/942807044.db2.gz JJZQDDXMCDXPKQ-MSOLQXFVSA-N 1 2 407.499 4.272 20 5 HIBDLO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@H+]2Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000556112982 942807050 /nfs/dbraw/zinc/80/70/50/942807050.db2.gz JJZQDDXMCDXPKQ-MSOLQXFVSA-N 1 2 407.499 4.272 20 5 HIBDLO O=C(Nc1ccc(Cl)c(Cl)c1)C1CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000559144634 943853614 /nfs/dbraw/zinc/85/36/14/943853614.db2.gz RVVLFYGAKHJQKJ-UHFFFAOYSA-N 1 2 424.284 4.458 20 5 HIBDLO O=[N+]([O-])c1cccc(-c2noc(C[NH+]3CCC(c4cccc(F)c4F)CC3)n2)c1 ZINC000573746819 948287227 /nfs/dbraw/zinc/28/72/27/948287227.db2.gz KXHBRGNDYAQOEI-UHFFFAOYSA-N 1 2 400.385 4.303 20 5 HIBDLO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H](O)COc1ccc2ccccc2c1 ZINC000011013214 845742966 /nfs/dbraw/zinc/74/29/66/845742966.db2.gz MPZGXTFITMYXNA-IBGZPJMESA-N 1 2 400.862 4.273 20 5 HIBDLO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H](O)COc1ccc2ccccc2c1 ZINC000011013214 845742976 /nfs/dbraw/zinc/74/29/76/845742976.db2.gz MPZGXTFITMYXNA-IBGZPJMESA-N 1 2 400.862 4.273 20 5 HIBDLO Cc1cc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)ccc1Br ZINC000015008655 845999646 /nfs/dbraw/zinc/99/96/46/845999646.db2.gz JCKQZABETGYHTL-UHFFFAOYSA-N 1 2 401.220 4.104 20 5 HIBDLO CSc1ccc([N+](=O)[O-])c(C(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)c1 ZINC000022292110 846554555 /nfs/dbraw/zinc/55/45/55/846554555.db2.gz VSMXDIKXNIRAOS-UHFFFAOYSA-N 1 2 406.533 4.257 20 5 HIBDLO C[C@H](c1nnc(SCc2ccc([N+](=O)[O-])cc2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000029737854 847611007 /nfs/dbraw/zinc/61/10/07/847611007.db2.gz FQXOIZJRBHPJJS-CYBMUJFWSA-N 1 2 401.467 4.230 20 5 HIBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N(Cc1ccco1)Cc1ccccc1 ZINC000032158563 847989541 /nfs/dbraw/zinc/98/95/41/847989541.db2.gz VTJZNEZLDXSBGF-UHFFFAOYSA-N 1 2 402.410 4.216 20 5 HIBDLO C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccc(Br)cc1 ZINC000032479982 848036565 /nfs/dbraw/zinc/03/65/65/848036565.db2.gz NXMNMHWFMVVJDL-GFCCVEGCSA-N 1 2 415.247 4.034 20 5 HIBDLO O=C(N[C@H]1CCSc2ccc(Cl)cc21)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000033224248 848129060 /nfs/dbraw/zinc/12/90/60/848129060.db2.gz LVFNELUOLHDIFI-HNNXBMFYSA-N 1 2 414.874 4.401 20 5 HIBDLO O=C(C[NH+]1CCC(c2nc3cc(Cl)ccc3o2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000052993539 849653043 /nfs/dbraw/zinc/65/30/43/849653043.db2.gz NOOLYDCOSSPASZ-UHFFFAOYSA-N 1 2 414.849 4.208 20 5 HIBDLO Cc1ccc(C(=O)C2CC[NH+](Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)cc1 ZINC000054295699 849842258 /nfs/dbraw/zinc/84/22/58/849842258.db2.gz BNOZJZRLAOTDET-UHFFFAOYSA-N 1 2 406.442 4.048 20 5 HIBDLO O=[N+]([O-])c1ccc(NCc2cc[nH+]c(N3CCN(c4ccc(F)cc4)CC3)c2)s1 ZINC000064029639 851817816 /nfs/dbraw/zinc/81/78/16/851817816.db2.gz QTXUKXHNSCKDSA-UHFFFAOYSA-N 1 2 413.478 4.129 20 5 HIBDLO CC(C)[C@@H](Cc1ccc(F)cc1)N(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000437110127 862297226 /nfs/dbraw/zinc/29/72/26/862297226.db2.gz UOOCPXVZAQIQHH-HXUWFJFHSA-N 1 2 410.449 4.259 20 5 HIBDLO Cc1ccc(C)c(OC2CCN(C(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)CC2)c1 ZINC000108869232 852887985 /nfs/dbraw/zinc/88/79/85/852887985.db2.gz QRCKAMSQDNIKLL-UHFFFAOYSA-N 1 2 420.469 4.081 20 5 HIBDLO Cc1cc(C(=O)Nc2nc3c(s2)C[N@H+](Cc2ccccc2)CC3)cc([N+](=O)[O-])c1 ZINC000147130475 853582749 /nfs/dbraw/zinc/58/27/49/853582749.db2.gz JVALJCOQXMRVRP-UHFFFAOYSA-N 1 2 408.483 4.170 20 5 HIBDLO Cc1cc(C(=O)Nc2nc3c(s2)C[N@@H+](Cc2ccccc2)CC3)cc([N+](=O)[O-])c1 ZINC000147130475 853582753 /nfs/dbraw/zinc/58/27/53/853582753.db2.gz JVALJCOQXMRVRP-UHFFFAOYSA-N 1 2 408.483 4.170 20 5 HIBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000213577412 853826330 /nfs/dbraw/zinc/82/63/30/853826330.db2.gz XLUZFUYXOCMFQU-MTIYJEKLSA-N 1 2 419.485 4.037 20 5 HIBDLO O=[N+]([O-])c1cc(F)ccc1Sc1nnc(C[NH+]2CCCCC2)n1-c1ccccc1 ZINC000301082299 854290754 /nfs/dbraw/zinc/29/07/54/854290754.db2.gz KAEBQJUHAOMVOS-UHFFFAOYSA-N 1 2 413.478 4.452 20 5 HIBDLO O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410279649 855899160 /nfs/dbraw/zinc/89/91/60/855899160.db2.gz QVIQBFOSBMBJAS-ZDUSSCGKSA-N 1 2 422.407 4.166 20 5 HIBDLO C[C@H]1CCN(C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000427156662 856675883 /nfs/dbraw/zinc/67/58/83/856675883.db2.gz BIFJAGSLMJHALW-HTAPYJJXSA-N 1 2 420.469 4.094 20 5 HIBDLO C[C@@H]1CCN(C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000427156665 856676043 /nfs/dbraw/zinc/67/60/43/856676043.db2.gz BIFJAGSLMJHALW-VGSWGCGISA-N 1 2 420.469 4.094 20 5 HIBDLO O=C(Nc1cccc(Oc2ccccn2)c1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000437470483 862831863 /nfs/dbraw/zinc/83/18/63/862831863.db2.gz UTBMJBJQDBUXGP-UHFFFAOYSA-N 1 2 401.382 4.220 20 5 HIBDLO CO[C@@H](C)c1nc(CN2CCC[N@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])CC2)cs1 ZINC000437512242 862860524 /nfs/dbraw/zinc/86/05/24/862860524.db2.gz DZBANQJGCDFKQC-AWEZNQCLSA-N 1 2 424.954 4.120 20 5 HIBDLO CO[C@@H](C)c1nc(CN2CCC[N@@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])CC2)cs1 ZINC000437512242 862860526 /nfs/dbraw/zinc/86/05/26/862860526.db2.gz DZBANQJGCDFKQC-AWEZNQCLSA-N 1 2 424.954 4.120 20 5 HIBDLO O=C(C[N@H+](CCc1ccccc1)Cc1cccnc1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000429288516 857591537 /nfs/dbraw/zinc/59/15/37/857591537.db2.gz WIWLIYVJFADFII-UHFFFAOYSA-N 1 2 424.888 4.327 20 5 HIBDLO O=C(C[N@@H+](CCc1ccccc1)Cc1cccnc1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000429288516 857591543 /nfs/dbraw/zinc/59/15/43/857591543.db2.gz WIWLIYVJFADFII-UHFFFAOYSA-N 1 2 424.888 4.327 20 5 HIBDLO O=C(C[N@H+](CCc1ccccc1)Cc1cccnc1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000429309356 857598372 /nfs/dbraw/zinc/59/83/72/857598372.db2.gz MPKWQTZSPATCSD-UHFFFAOYSA-N 1 2 424.888 4.327 20 5 HIBDLO O=C(C[N@@H+](CCc1ccccc1)Cc1cccnc1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000429309356 857598377 /nfs/dbraw/zinc/59/83/77/857598377.db2.gz MPKWQTZSPATCSD-UHFFFAOYSA-N 1 2 424.888 4.327 20 5 HIBDLO O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000433066941 859507652 /nfs/dbraw/zinc/50/76/52/859507652.db2.gz JAIOGKIKPCRMTB-OAQYLSRUSA-N 1 2 420.425 4.467 20 5 HIBDLO Cc1ccc(NC(=O)c2ccc(N3CCC(c4c[nH]c[nH+]4)CC3)c([N+](=O)[O-])c2)cc1 ZINC000433787811 859893410 /nfs/dbraw/zinc/89/34/10/859893410.db2.gz YIZWEQIZGBNSAR-UHFFFAOYSA-N 1 2 405.458 4.263 20 5 HIBDLO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000433973563 860011020 /nfs/dbraw/zinc/01/10/20/860011020.db2.gz XZBWFGATZFUAFA-OAHLLOKOSA-N 1 2 414.531 4.014 20 5 HIBDLO O=C(c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000434045444 860060294 /nfs/dbraw/zinc/06/02/94/860060294.db2.gz GBWFHJYQGWKYFM-LJQANCHMSA-N 1 2 421.478 4.435 20 5 HIBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000439932592 865232759 /nfs/dbraw/zinc/23/27/59/865232759.db2.gz OMYARFWOXNMODV-PZJWPPBQSA-N 1 2 421.457 4.240 20 5 HIBDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)c(C)c1 ZINC000441484729 866565585 /nfs/dbraw/zinc/56/55/85/866565585.db2.gz BADVQNKVWRXBAN-FQEVSTJZSA-N 1 2 412.877 4.162 20 5 HIBDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@H](C)C1 ZINC000441787841 866859614 /nfs/dbraw/zinc/85/96/14/866859614.db2.gz JUJWEGIPCSOHMO-QGZVFWFLSA-N 1 2 412.490 4.040 20 5 HIBDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@H](C)C1 ZINC000441787841 866859617 /nfs/dbraw/zinc/85/96/17/866859617.db2.gz JUJWEGIPCSOHMO-QGZVFWFLSA-N 1 2 412.490 4.040 20 5 HIBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000443954107 868490040 /nfs/dbraw/zinc/49/00/40/868490040.db2.gz AGGYQUCWHQYFKM-HNNXBMFYSA-N 1 2 418.444 4.276 20 5 HIBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000443954107 868490046 /nfs/dbraw/zinc/49/00/46/868490046.db2.gz AGGYQUCWHQYFKM-HNNXBMFYSA-N 1 2 418.444 4.276 20 5 HIBDLO CCO[C@H](C)c1nc(C[N@H+](C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)cs1 ZINC000444248760 868697156 /nfs/dbraw/zinc/69/71/56/868697156.db2.gz WGPCZRRWPRUXCB-CQSZACIVSA-N 1 2 416.503 4.478 20 5 HIBDLO CCO[C@H](C)c1nc(C[N@@H+](C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)cs1 ZINC000444248760 868697162 /nfs/dbraw/zinc/69/71/62/868697162.db2.gz WGPCZRRWPRUXCB-CQSZACIVSA-N 1 2 416.503 4.478 20 5 HIBDLO CCCOc1ccc(Br)cc1C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446857662 870780393 /nfs/dbraw/zinc/78/03/93/870780393.db2.gz WGEYLQWYEKNGRC-UHFFFAOYSA-N 1 2 419.279 4.312 20 5 HIBDLO CCN(CC)C(=O)[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccccc1 ZINC000447399084 871308947 /nfs/dbraw/zinc/30/89/47/871308947.db2.gz UUOHJJROTVPFIU-GOSISDBHSA-N 1 2 409.408 4.313 20 5 HIBDLO O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1Nc1ccc(N2CCCC2)[nH+]c1 ZINC000447677248 871609335 /nfs/dbraw/zinc/60/93/35/871609335.db2.gz FIEVLOMCHCFGCG-UHFFFAOYSA-N 1 2 403.311 4.383 20 5 HIBDLO Cc1cn2c([nH+]1)[C@H](CNc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-])CCC2 ZINC000447680051 871611463 /nfs/dbraw/zinc/61/14/63/871611463.db2.gz QDXSIGKFHFNVBX-JTQLQIEISA-N 1 2 405.327 4.138 20 5 HIBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000463040267 876064262 /nfs/dbraw/zinc/06/42/62/876064262.db2.gz USDRMOUZNQXMLR-WMZOPIPTSA-N 1 2 401.532 4.130 20 5 HIBDLO O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000463731048 876851948 /nfs/dbraw/zinc/85/19/48/876851948.db2.gz QUOQZGUWXBESMG-UHFFFAOYSA-N 1 2 417.469 4.385 20 5 HIBDLO COc1ccc(Br)cc1C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464769811 878013153 /nfs/dbraw/zinc/01/31/53/878013153.db2.gz AMZPRBIVGGISON-UHFFFAOYSA-N 1 2 421.291 4.409 20 5 HIBDLO CCOc1ccc(-c2noc(C[NH+]3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)n2)cc1 ZINC000464777431 878019258 /nfs/dbraw/zinc/01/92/58/878019258.db2.gz PABSHRZYMFVLLE-UHFFFAOYSA-N 1 2 424.457 4.087 20 5 HIBDLO CC(C)(C)c1ccccc1NC(=O)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464777504 878021301 /nfs/dbraw/zinc/02/13/01/878021301.db2.gz QHFOFMBFEGDNCY-UHFFFAOYSA-N 1 2 411.502 4.374 20 5 HIBDLO O=[N+]([O-])c1ccc(OC2CC[NH+](Cc3nc(-c4ccc(Cl)cc4)no3)CC2)cc1 ZINC000464780384 878023890 /nfs/dbraw/zinc/02/38/90/878023890.db2.gz WNXUWJXRXWWUMQ-UHFFFAOYSA-N 1 2 414.849 4.342 20 5 HIBDLO O=[N+]([O-])c1ccc(OC2CC[NH+](Cc3nnc(-c4cccc(Cl)c4)o3)CC2)cc1 ZINC000464780400 878025161 /nfs/dbraw/zinc/02/51/61/878025161.db2.gz WTEKNMUENMKDKV-UHFFFAOYSA-N 1 2 414.849 4.342 20 5 HIBDLO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000466472009 880253792 /nfs/dbraw/zinc/25/37/92/880253792.db2.gz VUEYOBJAXJOHTO-UHFFFAOYSA-N 1 2 409.899 4.012 20 5 HIBDLO CC[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC[C@@H]1c1ccccc1 ZINC000470204881 884519782 /nfs/dbraw/zinc/51/97/82/884519782.db2.gz BOZXSHMKYZLRDG-XLIONFOSSA-N 1 2 404.470 4.436 20 5 HIBDLO Cc1nc(CN2C[C@@H](F)C[C@H]2C[N@@H+](C)Cc2c(Cl)cccc2[N+](=O)[O-])cs1 ZINC000470862965 885353230 /nfs/dbraw/zinc/35/32/30/885353230.db2.gz BXALHLHBQXSRLT-ZFWWWQNUSA-N 1 2 412.918 4.058 20 5 HIBDLO Cc1nc(CN2C[C@@H](F)C[C@H]2C[N@H+](C)Cc2c(Cl)cccc2[N+](=O)[O-])cs1 ZINC000470862965 885353254 /nfs/dbraw/zinc/35/32/54/885353254.db2.gz BXALHLHBQXSRLT-ZFWWWQNUSA-N 1 2 412.918 4.058 20 5 HIBDLO Cc1ncsc1CN1C[C@@H](F)C[C@H]1C[N@@H+](C)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000470867109 885356526 /nfs/dbraw/zinc/35/65/26/885356526.db2.gz RDSRAISUCIDRKU-KBPBESRZSA-N 1 2 412.918 4.058 20 5 HIBDLO Cc1ncsc1CN1C[C@@H](F)C[C@H]1C[N@H+](C)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000470867109 885356558 /nfs/dbraw/zinc/35/65/58/885356558.db2.gz RDSRAISUCIDRKU-KBPBESRZSA-N 1 2 412.918 4.058 20 5 HIBDLO Cc1cc(F)c(Br)cc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000475766797 890712267 /nfs/dbraw/zinc/71/22/67/890712267.db2.gz IZEDNZWTOICJSG-UHFFFAOYSA-N 1 2 419.210 4.243 20 5 HIBDLO CS(=O)(=O)c1cccc([C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)c2ccccc2)c1 ZINC000478167051 893333883 /nfs/dbraw/zinc/33/38/83/893333883.db2.gz AUSGIIBQQWHSAB-OAQYLSRUSA-N 1 2 414.458 4.017 20 5 HIBDLO COc1cc(C[NH2+][C@@H](C)c2cccc(F)c2F)c([N+](=O)[O-])cc1OCC(F)F ZINC000505463433 914135472 /nfs/dbraw/zinc/13/54/72/914135472.db2.gz BGZNDQRSYWCBNY-JTQLQIEISA-N 1 2 402.344 4.376 20 5 HIBDLO CCc1c(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cnn1-c1ccccc1C ZINC000482691377 898290637 /nfs/dbraw/zinc/29/06/37/898290637.db2.gz JUZZUAKKDRQANB-UHFFFAOYSA-N 1 2 416.441 4.089 20 5 HIBDLO C[C@H](c1cccc(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1)[NH+]1CCOCC1 ZINC000483059694 898737551 /nfs/dbraw/zinc/73/75/51/898737551.db2.gz MFBCRPUZSGDCSE-QGZVFWFLSA-N 1 2 424.501 4.185 20 5 HIBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000483243528 898885531 /nfs/dbraw/zinc/88/55/31/898885531.db2.gz VNMSNEBRYFVNMS-HNNXBMFYSA-N 1 2 404.772 4.099 20 5 HIBDLO C[C@H]([NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)c1nc(C2CCCCC2)no1 ZINC000483647613 899305390 /nfs/dbraw/zinc/30/53/90/899305390.db2.gz BVQJXWQTOWMYLN-AWEZNQCLSA-N 1 2 410.478 4.277 20 5 HIBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000484145358 899765709 /nfs/dbraw/zinc/76/57/09/899765709.db2.gz RQINXSMXRUEOSB-INIZCTEOSA-N 1 2 408.433 4.330 20 5 HIBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC(c2c(F)cccc2F)CC1 ZINC000485575224 900842743 /nfs/dbraw/zinc/84/27/43/900842743.db2.gz BEAXHNJPZGFYGH-UHFFFAOYSA-N 1 2 412.396 4.079 20 5 HIBDLO Cc1ccnc(-c2n[nH]c([C@@H](C)[NH2+]Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)n2)c1 ZINC000486810276 901867148 /nfs/dbraw/zinc/86/71/48/901867148.db2.gz QKNOXMWHWJCPHA-CQSZACIVSA-N 1 2 404.430 4.194 20 5 HIBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCN([C@H](C)c2nc(-c3ccccc3)no2)CC1 ZINC000489966112 903701904 /nfs/dbraw/zinc/70/19/04/903701904.db2.gz NTYZZHOGLJHRBV-QZTJIDSGSA-N 1 2 421.501 4.393 20 5 HIBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000490028143 903732040 /nfs/dbraw/zinc/73/20/40/903732040.db2.gz VKUNLHWYXGJUQY-HNNXBMFYSA-N 1 2 414.531 4.057 20 5 HIBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000490028143 903732055 /nfs/dbraw/zinc/73/20/55/903732055.db2.gz VKUNLHWYXGJUQY-HNNXBMFYSA-N 1 2 414.531 4.057 20 5 HIBDLO Cc1c(NC(=O)[C@H](C)[NH2+][C@@H](C)c2nc(C(F)(F)F)cs2)cccc1[N+](=O)[O-] ZINC000490066612 903757486 /nfs/dbraw/zinc/75/74/86/903757486.db2.gz LXJPOVYAYNMUHZ-UWVGGRQHSA-N 1 2 402.398 4.056 20 5 HIBDLO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000490797434 904244521 /nfs/dbraw/zinc/24/45/21/904244521.db2.gz VTTAYXGTGIGUQU-UHFFFAOYSA-N 1 2 419.485 4.000 20 5 HIBDLO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000490797434 904244538 /nfs/dbraw/zinc/24/45/38/904244538.db2.gz VTTAYXGTGIGUQU-UHFFFAOYSA-N 1 2 419.485 4.000 20 5 HIBDLO CS(=O)(=O)c1cccc([C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])c2ccc(F)cc2)c1 ZINC000493226067 905057236 /nfs/dbraw/zinc/05/72/36/905057236.db2.gz HIILALPWXOWUED-OAQYLSRUSA-N 1 2 414.458 4.017 20 5 HIBDLO Cc1ccc([C@H](C)NC(=O)N[C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000494457228 905739873 /nfs/dbraw/zinc/73/98/73/905739873.db2.gz ZAVOCSJIGGDJJA-AQKFKSFVSA-N 1 2 419.485 4.389 20 5 HIBDLO Cc1cccc([C@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c2ccccn2)c1 ZINC000498611974 908058574 /nfs/dbraw/zinc/05/85/74/908058574.db2.gz DJDVIMUAMZECMZ-QFIPXVFZSA-N 1 2 413.437 4.003 20 5 HIBDLO O=C(c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000499054578 908425548 /nfs/dbraw/zinc/42/55/48/908425548.db2.gz SIMIRIATADXVMB-UHFFFAOYSA-N 1 2 410.396 4.143 20 5 HIBDLO CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000501479040 910591845 /nfs/dbraw/zinc/59/18/45/910591845.db2.gz OJBCKORCHCSVQR-GJZGRUSLSA-N 1 2 415.515 4.178 20 5 HIBDLO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000502862677 911869300 /nfs/dbraw/zinc/86/93/00/911869300.db2.gz UBLQZOVMVZQRIH-UHFFFAOYSA-N 1 2 405.241 4.360 20 5 HIBDLO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000506352324 914970628 /nfs/dbraw/zinc/97/06/28/914970628.db2.gz GQQHTKQBYDNZAD-OAHLLOKOSA-N 1 2 414.483 4.451 20 5 HIBDLO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000506352324 914970661 /nfs/dbraw/zinc/97/06/61/914970661.db2.gz GQQHTKQBYDNZAD-OAHLLOKOSA-N 1 2 414.483 4.451 20 5 HIBDLO COc1cc(C[N@@H+]2CCSC[C@@H]2c2ccccc2)c([N+](=O)[O-])cc1OC(F)F ZINC000506430972 915035373 /nfs/dbraw/zinc/03/53/73/915035373.db2.gz FDISLZOFIUKYCG-MRXNPFEDSA-N 1 2 410.442 4.495 20 5 HIBDLO COc1cc(C[N@H+]2CCSC[C@@H]2c2ccccc2)c([N+](=O)[O-])cc1OC(F)F ZINC000506430972 915035394 /nfs/dbraw/zinc/03/53/94/915035394.db2.gz FDISLZOFIUKYCG-MRXNPFEDSA-N 1 2 410.442 4.495 20 5 HIBDLO CC(C)[N@@H+]1CC[C@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000507361665 916116924 /nfs/dbraw/zinc/11/69/24/916116924.db2.gz MTPQICOQXLINAB-OALUTQOASA-N 1 2 421.856 4.047 20 5 HIBDLO CC(C)[N@H+]1CC[C@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000507361665 916116934 /nfs/dbraw/zinc/11/69/34/916116934.db2.gz MTPQICOQXLINAB-OALUTQOASA-N 1 2 421.856 4.047 20 5 HIBDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)CCCNc3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000509214357 917915666 /nfs/dbraw/zinc/91/56/66/917915666.db2.gz ZJBGWCYZRCHCHE-HNNXBMFYSA-N 1 2 417.535 4.114 20 5 HIBDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)CCCNc3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000509214357 917915676 /nfs/dbraw/zinc/91/56/76/917915676.db2.gz ZJBGWCYZRCHCHE-HNNXBMFYSA-N 1 2 417.535 4.114 20 5 HIBDLO Cc1ncsc1CN1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000509367822 918031399 /nfs/dbraw/zinc/03/13/99/918031399.db2.gz WGQQWXCDWAZSOO-UHFFFAOYSA-N 1 2 414.556 4.406 20 5 HIBDLO COc1ccc(NC(=O)C[NH+]2CCC([C@H](F)c3ccccc3F)CC2)c([N+](=O)[O-])c1 ZINC000511081690 919684771 /nfs/dbraw/zinc/68/47/71/919684771.db2.gz OCFIXLQZFBHEOW-NRFANRHFSA-N 1 2 419.428 4.104 20 5 HIBDLO Cn1ccnc1[C@H]([NH2+][C@H]1C[C@@H](Oc2ccccc2)C1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000514683948 922753556 /nfs/dbraw/zinc/75/35/56/922753556.db2.gz CVBKZRPLVHGMTC-PWRODBHTSA-N 1 2 406.486 4.253 20 5 HIBDLO COc1ccc(Cl)cc1C[NH+]1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000515546168 923168256 /nfs/dbraw/zinc/16/82/56/923168256.db2.gz MQZQAVKKGIRZKJ-UHFFFAOYSA-N 1 2 412.877 4.127 20 5 HIBDLO CC[N@@H+]1CC[C@H](NC(=O)Nc2cccc([N+](=O)[O-])c2C)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000530461530 930716391 /nfs/dbraw/zinc/71/63/91/930716391.db2.gz RJXURWCSBTWXJH-LPHOPBHVSA-N 1 2 422.407 4.278 20 5 HIBDLO CC[N@H+]1CC[C@H](NC(=O)Nc2cccc([N+](=O)[O-])c2C)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000530461530 930716402 /nfs/dbraw/zinc/71/64/02/930716402.db2.gz RJXURWCSBTWXJH-LPHOPBHVSA-N 1 2 422.407 4.278 20 5 HIBDLO O=C(NCc1ccc([N+](=O)[O-])cc1)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000531481268 931072442 /nfs/dbraw/zinc/07/24/42/931072442.db2.gz AJZRLTSQGAHREK-SFHVURJKSA-N 1 2 420.872 4.024 20 5 HIBDLO COc1cc(CNc2ccc(N(C)C)c[nH+]2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000532674376 931578767 /nfs/dbraw/zinc/57/87/67/931578767.db2.gz GOFQQFDQZVCOHI-UHFFFAOYSA-N 1 2 408.458 4.256 20 5 HIBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@@H](c2ccccc2Cl)OC[C@@H]1C ZINC000533439716 931870027 /nfs/dbraw/zinc/87/00/27/931870027.db2.gz VZDPYCPKUXHEIR-YWZLYKJASA-N 1 2 417.893 4.347 20 5 HIBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H](c2ccccc2Cl)OC[C@@H]1C ZINC000533439716 931870028 /nfs/dbraw/zinc/87/00/28/931870028.db2.gz VZDPYCPKUXHEIR-YWZLYKJASA-N 1 2 417.893 4.347 20 5 HIBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(Oc2ccccc2Cl)CC1 ZINC000533606624 931920065 /nfs/dbraw/zinc/92/00/65/931920065.db2.gz RHDYVPGQADEQTC-AWEZNQCLSA-N 1 2 403.866 4.119 20 5 HIBDLO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000534391548 932415778 /nfs/dbraw/zinc/41/57/78/932415778.db2.gz QHYPCMBCXVHHIB-WMZOPIPTSA-N 1 2 423.897 4.284 20 5 HIBDLO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000534391548 932415788 /nfs/dbraw/zinc/41/57/88/932415788.db2.gz QHYPCMBCXVHHIB-WMZOPIPTSA-N 1 2 423.897 4.284 20 5 HIBDLO O=[N+]([O-])c1ccc(-c2nc(CN3CC[NH+](Cc4cccc(Cl)c4)CC3)co2)cc1 ZINC000535522340 933212924 /nfs/dbraw/zinc/21/29/24/933212924.db2.gz NBXDYEJHZAMHED-UHFFFAOYSA-N 1 2 412.877 4.221 20 5 HIBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCCC[C@@H]1CCc1ccccc1 ZINC000535523640 933213867 /nfs/dbraw/zinc/21/38/67/933213867.db2.gz FZTILBOBFCRDJV-HXUWFJFHSA-N 1 2 404.470 4.408 20 5 HIBDLO O=C(NC[C@@H]1CCCC[N@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccccc1 ZINC000535553639 933238819 /nfs/dbraw/zinc/23/88/19/933238819.db2.gz MSQYJARKQBYEKB-NRFANRHFSA-N 1 2 420.469 4.034 20 5 HIBDLO O=C(NC[C@@H]1CCCC[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccccc1 ZINC000535553639 933238823 /nfs/dbraw/zinc/23/88/23/933238823.db2.gz MSQYJARKQBYEKB-NRFANRHFSA-N 1 2 420.469 4.034 20 5 HIBDLO COc1ccc(OC2CC[NH+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)CC2)cc1 ZINC000535784905 933386368 /nfs/dbraw/zinc/38/63/68/933386368.db2.gz IOXZRTRDZJZKGZ-UHFFFAOYSA-N 1 2 408.401 4.248 20 5 HIBDLO C[N@@H+]1CC[C@H](NC(=O)CSc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535886465 933467915 /nfs/dbraw/zinc/46/79/15/933467915.db2.gz SWZRTNOPTZUSNX-HKUYNNGSSA-N 1 2 423.897 4.041 20 5 HIBDLO C[N@H+]1CC[C@H](NC(=O)CSc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535886465 933467919 /nfs/dbraw/zinc/46/79/19/933467919.db2.gz SWZRTNOPTZUSNX-HKUYNNGSSA-N 1 2 423.897 4.041 20 5 HIBDLO C[C@H]([NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(OCC(F)(F)F)cc1 ZINC000538164113 938531950 /nfs/dbraw/zinc/53/19/50/938531950.db2.gz USNZQWJNLIDPMK-LBPRGKRZSA-N 1 2 422.363 4.437 20 5 HIBDLO Cc1cc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)nn1-c1cc(C)cc(C)c1 ZINC000538552347 938647342 /nfs/dbraw/zinc/64/73/42/938647342.db2.gz XFKBMNLWNMBXQB-UHFFFAOYSA-N 1 2 416.441 4.144 20 5 HIBDLO CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(F)cc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000539124469 938806488 /nfs/dbraw/zinc/80/64/88/938806488.db2.gz FKMKPWYROXVEOG-SJLPKXTDSA-N 1 2 409.820 4.092 20 5 HIBDLO CC[N@H+]1CC[C@@H](NC(=O)c2ccc(F)cc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000539124469 938806489 /nfs/dbraw/zinc/80/64/89/938806489.db2.gz FKMKPWYROXVEOG-SJLPKXTDSA-N 1 2 409.820 4.092 20 5 HIBDLO O=[N+]([O-])c1cccc(-c2nc(CNc3ccccc3C[NH+]3CCOCC3)cs2)c1 ZINC000539932224 938978962 /nfs/dbraw/zinc/97/89/62/938978962.db2.gz XFMDIRZJBATIJQ-UHFFFAOYSA-N 1 2 410.499 4.163 20 5 HIBDLO CC(C)[N@@H+]1CC[C@H](NC(=O)c2ccccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000540799260 939376268 /nfs/dbraw/zinc/37/62/68/939376268.db2.gz CZRYQOKHRXPZEW-PKOBYXMFSA-N 1 2 405.857 4.341 20 5 HIBDLO CC(C)[N@H+]1CC[C@H](NC(=O)c2ccccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000540799260 939376272 /nfs/dbraw/zinc/37/62/72/939376272.db2.gz CZRYQOKHRXPZEW-PKOBYXMFSA-N 1 2 405.857 4.341 20 5 HIBDLO CCCc1c(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cnn1-c1ccccc1 ZINC000542175338 939744405 /nfs/dbraw/zinc/74/44/05/939744405.db2.gz PVQRNROUIMXOBS-UHFFFAOYSA-N 1 2 416.441 4.171 20 5 HIBDLO C[C@H]([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)c1noc(Cc2ccccc2)n1 ZINC000542618866 939849261 /nfs/dbraw/zinc/84/92/61/939849261.db2.gz MPMNCPHKGBXLMG-HNNXBMFYSA-N 1 2 419.441 4.117 20 5 HIBDLO O=[N+]([O-])c1ccc(C[N@H+](Cc2cn3ccc(Br)cc3n2)C2CC2)cc1 ZINC000563755526 945286617 /nfs/dbraw/zinc/28/66/17/945286617.db2.gz MMPOKBKSKKEAOI-UHFFFAOYSA-N 1 2 401.264 4.170 20 5 HIBDLO O=[N+]([O-])c1ccc(C[N@@H+](Cc2cn3ccc(Br)cc3n2)C2CC2)cc1 ZINC000563755526 945286629 /nfs/dbraw/zinc/28/66/29/945286629.db2.gz MMPOKBKSKKEAOI-UHFFFAOYSA-N 1 2 401.264 4.170 20 5 HIBDLO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc(Br)cc2)no1 ZINC000543546817 940103182 /nfs/dbraw/zinc/10/31/82/940103182.db2.gz NJOJDYBDJUGSLF-NSHDSACASA-N 1 2 403.236 4.258 20 5 HIBDLO CC1CC[NH+](Cc2csc(NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3F)n2)CC1 ZINC000545166841 940553423 /nfs/dbraw/zinc/55/34/23/940553423.db2.gz HANGAMMCAIHDGW-UHFFFAOYSA-N 1 2 420.510 4.339 20 5 HIBDLO C[C@@](O)(C1CC[NH+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1)C(F)(F)F ZINC000545244471 940558198 /nfs/dbraw/zinc/55/81/98/940558198.db2.gz IRRQVYPDSKVNEC-QGZVFWFLSA-N 1 2 415.437 4.244 20 5 HIBDLO C[C@H]1CO[C@@H](c2noc(/C=C/c3ccc(F)cc3[N+](=O)[O-])n2)C[N@@H+]1Cc1ccccc1 ZINC000545812471 940608267 /nfs/dbraw/zinc/60/82/67/940608267.db2.gz HOJAGROJOBQNEF-PPHNMOTGSA-N 1 2 424.432 4.249 20 5 HIBDLO C[C@H]1CO[C@@H](c2noc(/C=C/c3ccc(F)cc3[N+](=O)[O-])n2)C[N@H+]1Cc1ccccc1 ZINC000545812471 940608273 /nfs/dbraw/zinc/60/82/73/940608273.db2.gz HOJAGROJOBQNEF-PPHNMOTGSA-N 1 2 424.432 4.249 20 5 HIBDLO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCO[C@@H](c4ccc(F)cc4F)C3)o2)c1 ZINC000548300720 941094783 /nfs/dbraw/zinc/09/47/83/941094783.db2.gz ACENXTYMCSSDRR-HXUWFJFHSA-N 1 2 415.396 4.144 20 5 HIBDLO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCO[C@@H](c4ccc(F)cc4F)C3)o2)c1 ZINC000548300720 941094786 /nfs/dbraw/zinc/09/47/86/941094786.db2.gz ACENXTYMCSSDRR-HXUWFJFHSA-N 1 2 415.396 4.144 20 5 HIBDLO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1nc2ccccc2n1C(F)F ZINC000548402942 941100121 /nfs/dbraw/zinc/10/01/21/941100121.db2.gz KNFYRSDEBPMPQU-NSHDSACASA-N 1 2 404.373 4.057 20 5 HIBDLO O=C(Nc1ccccc1)NC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000549510245 941197595 /nfs/dbraw/zinc/19/75/95/941197595.db2.gz ZQNOFLSJROVDKM-UHFFFAOYSA-N 1 2 422.407 4.400 20 5 HIBDLO C[C@@H](C[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)Oc1ccc(Cl)cc1 ZINC000552054183 941574928 /nfs/dbraw/zinc/57/49/28/941574928.db2.gz NLWBNBUQRNPRLJ-LIRRHRJNSA-N 1 2 400.866 4.128 20 5 HIBDLO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000553296316 941862661 /nfs/dbraw/zinc/86/26/61/941862661.db2.gz WSRBNAQECNVACG-UHFFFAOYSA-N 1 2 411.487 4.235 20 5 HIBDLO COc1ccc(-c2ccc(C[NH2+]Cc3ccn(Cc4ccccc4)n3)o2)c([N+](=O)[O-])c1 ZINC000556403067 942857566 /nfs/dbraw/zinc/85/75/66/942857566.db2.gz AKTJEWPAAYTNQZ-UHFFFAOYSA-N 1 2 418.453 4.398 20 5 HIBDLO CSc1ccc(C(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000557532322 943194690 /nfs/dbraw/zinc/19/46/90/943194690.db2.gz XSMJUJMEDQXSFN-UHFFFAOYSA-N 1 2 402.863 4.086 20 5 HIBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)c1 ZINC000558762818 943650531 /nfs/dbraw/zinc/65/05/31/943650531.db2.gz XUGWVBSJNDLSHA-UHFFFAOYSA-N 1 2 406.442 4.446 20 5 HIBDLO Cn1cc(Br)cc1C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000559108114 943843197 /nfs/dbraw/zinc/84/31/97/943843197.db2.gz ZNPVCZQUITWLRW-UHFFFAOYSA-N 1 2 406.202 4.347 20 5 HIBDLO Cn1cc(Br)cc1C[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000559108114 943843199 /nfs/dbraw/zinc/84/31/99/943843199.db2.gz ZNPVCZQUITWLRW-UHFFFAOYSA-N 1 2 406.202 4.347 20 5 HIBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 ZINC000561135245 944474264 /nfs/dbraw/zinc/47/42/64/944474264.db2.gz CPSDQMLFDMLFJZ-VAMGGRTRSA-N 1 2 402.454 4.189 20 5 HIBDLO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000561158748 944489399 /nfs/dbraw/zinc/48/93/99/944489399.db2.gz HZHLQGPQWRUTMG-UHFFFAOYSA-N 1 2 410.499 4.270 20 5 HIBDLO CC(C)C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2)CCN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000561943706 944868958 /nfs/dbraw/zinc/86/89/58/944868958.db2.gz DRPCYIZZLGZJHY-LJQANCHMSA-N 1 2 416.909 4.016 20 5 HIBDLO CC(C)C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2)CCN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000561943706 944868960 /nfs/dbraw/zinc/86/89/60/944868960.db2.gz DRPCYIZZLGZJHY-LJQANCHMSA-N 1 2 416.909 4.016 20 5 HIBDLO CC[N@@H+]1CC[C@H](NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000565925985 945934633 /nfs/dbraw/zinc/93/46/33/945934633.db2.gz MRIMILOHPIZSMK-CCMJGWDWSA-N 1 2 421.419 4.067 20 5 HIBDLO CC[N@H+]1CC[C@H](NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000565925985 945934653 /nfs/dbraw/zinc/93/46/53/945934653.db2.gz MRIMILOHPIZSMK-CCMJGWDWSA-N 1 2 421.419 4.067 20 5 HIBDLO COC[C@H]([NH2+]Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000574721827 948511996 /nfs/dbraw/zinc/51/19/96/948511996.db2.gz NOXDTPCYSFUTFO-AWEZNQCLSA-N 1 2 416.808 4.336 20 5 HIBDLO CC(C)CCSc1ccc(C(=O)N2CCN(c3cccc[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000016637453 846193428 /nfs/dbraw/zinc/19/34/28/846193428.db2.gz FHXQWRZQACJWQQ-UHFFFAOYSA-N 1 2 414.531 4.090 20 5 HIBDLO Cc1cccc(C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000031898138 847963974 /nfs/dbraw/zinc/96/39/74/847963974.db2.gz VNCDOCAMEATIBK-QGZVFWFLSA-N 1 2 405.857 4.263 20 5 HIBDLO O=C(N[C@@H](Cc1ccccc1)c1ccccc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032156024 847989275 /nfs/dbraw/zinc/98/92/75/847989275.db2.gz FYIKZQHHFGEZNI-NRFANRHFSA-N 1 2 412.449 4.494 20 5 HIBDLO COc1c(C)c[nH+]c(CN(C)C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)c1C ZINC000050629872 849399861 /nfs/dbraw/zinc/39/98/61/849399861.db2.gz LNQXQGATTPRGHN-UHFFFAOYSA-N 1 2 412.471 4.011 20 5 HIBDLO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000054122647 849814042 /nfs/dbraw/zinc/81/40/42/849814042.db2.gz YXLQCVBAYRVCNL-UHFFFAOYSA-N 1 2 419.934 4.318 20 5 HIBDLO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000054122647 849814048 /nfs/dbraw/zinc/81/40/48/849814048.db2.gz YXLQCVBAYRVCNL-UHFFFAOYSA-N 1 2 419.934 4.318 20 5 HIBDLO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCO[C@@H](c3ccc(Br)cc3)C2)cc1 ZINC000063581173 851718962 /nfs/dbraw/zinc/71/89/62/851718962.db2.gz VIDFSHBUTQVBLP-LJQANCHMSA-N 1 2 421.291 4.200 20 5 HIBDLO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCO[C@@H](c3ccc(Br)cc3)C2)cc1 ZINC000063581173 851718971 /nfs/dbraw/zinc/71/89/71/851718971.db2.gz VIDFSHBUTQVBLP-LJQANCHMSA-N 1 2 421.291 4.200 20 5 HIBDLO O=C(Nc1nc(-c2ccccc2F)cs1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000072007141 852462199 /nfs/dbraw/zinc/46/21/99/852462199.db2.gz KSDVSAICMFHTQQ-UHFFFAOYSA-N 1 2 409.402 4.295 20 5 HIBDLO O=C(NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)c1cc(F)ccc1[N+](=O)[O-] ZINC000116103639 853283462 /nfs/dbraw/zinc/28/34/62/853283462.db2.gz MXJSNDIXQDCHMQ-KRWDZBQOSA-N 1 2 409.820 4.093 20 5 HIBDLO C[C@@H]1C[C@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C(=O)N1c1ccccc1 ZINC000237495676 854045477 /nfs/dbraw/zinc/04/54/77/854045477.db2.gz QVOFURHRLUWLAK-KUHUBIRLSA-N 1 2 408.483 4.002 20 5 HIBDLO C[C@H]([NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)c1nnc2ccccn21 ZINC000237556568 854054356 /nfs/dbraw/zinc/05/43/56/854054356.db2.gz DJNQDLKFHSFVIQ-AWEZNQCLSA-N 1 2 407.405 4.420 20 5 HIBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]Cc2cc(F)ccc2Br)c1 ZINC000237823343 854104564 /nfs/dbraw/zinc/10/45/64/854104564.db2.gz BZTTVHHUFDLUKI-UHFFFAOYSA-N 1 2 405.170 4.388 20 5 HIBDLO O=[N+]([O-])c1ccc(NC2CCN(c3cccc[nH+]3)CC2)nc1OCc1ccccc1 ZINC000302172514 854542264 /nfs/dbraw/zinc/54/22/64/854542264.db2.gz MTWDUIPTWVTRIM-UHFFFAOYSA-N 1 2 405.458 4.045 20 5 HIBDLO CC1CCN(c2ccc(NC(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)cc2)CC1 ZINC000302630550 854594525 /nfs/dbraw/zinc/59/45/25/854594525.db2.gz BPZJMFZELKJZHP-UHFFFAOYSA-N 1 2 405.458 4.269 20 5 HIBDLO O=C(CCn1c2ccccc2[nH+]c1NCc1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000409864682 855694273 /nfs/dbraw/zinc/69/42/73/855694273.db2.gz OQXZRXKYJCNBRZ-UHFFFAOYSA-N 1 2 415.453 4.585 20 5 HIBDLO O=C(NCc1ccccc1[N+](=O)[O-])NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000410132484 855833418 /nfs/dbraw/zinc/83/34/18/855833418.db2.gz DFPVNVCSFRGKTL-GOSISDBHSA-N 1 2 420.872 4.024 20 5 HIBDLO O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410258292 855885936 /nfs/dbraw/zinc/88/59/36/855885936.db2.gz PVJYKZBUVVAHLO-CYBMUJFWSA-N 1 2 422.407 4.166 20 5 HIBDLO C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000437574643 862893814 /nfs/dbraw/zinc/89/38/14/862893814.db2.gz DESHEZAUCLKUDA-AUUYWEPGSA-N 1 2 408.483 4.492 20 5 HIBDLO C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@H+]1CC[C@@H]1c1ccccc1 ZINC000437574643 862893816 /nfs/dbraw/zinc/89/38/16/862893816.db2.gz DESHEZAUCLKUDA-AUUYWEPGSA-N 1 2 408.483 4.492 20 5 HIBDLO Cc1sc2nc(C[NH+]3CCCC3)nc(Oc3ccc([N+](=O)[O-])c(CO)c3)c2c1C ZINC000428660243 857292347 /nfs/dbraw/zinc/29/23/47/857292347.db2.gz BFEGKBJUPKAGRI-UHFFFAOYSA-N 1 2 414.487 4.097 20 5 HIBDLO Cc1c(NC(=O)[C@H](C)[NH+]2CCC(c3ncccc3Cl)CC2)cccc1[N+](=O)[O-] ZINC000429219978 857561064 /nfs/dbraw/zinc/56/10/64/857561064.db2.gz CULGKMDLTOTNMO-AWEZNQCLSA-N 1 2 402.882 4.158 20 5 HIBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000431429444 858610115 /nfs/dbraw/zinc/61/01/15/858610115.db2.gz AKYYZLURWRMJDO-UHFFFAOYSA-N 1 2 413.865 4.487 20 5 HIBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCC(c2ncc3n2CCCC3)CC1 ZINC000434679816 860457181 /nfs/dbraw/zinc/45/71/81/860457181.db2.gz QRKCHQPJQUXAEK-OAHLLOKOSA-N 1 2 422.489 4.118 20 5 HIBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434679816 860457188 /nfs/dbraw/zinc/45/71/88/860457188.db2.gz QRKCHQPJQUXAEK-OAHLLOKOSA-N 1 2 422.489 4.118 20 5 HIBDLO C[C@@H](c1ccccc1Cl)[NH+]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000434836618 860514685 /nfs/dbraw/zinc/51/46/85/860514685.db2.gz ATWQMIGUJSMACH-AWEZNQCLSA-N 1 2 400.866 4.268 20 5 HIBDLO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000439103851 864542204 /nfs/dbraw/zinc/54/22/04/864542204.db2.gz XMFSAPPHWOKIKU-CQSZACIVSA-N 1 2 403.866 4.202 20 5 HIBDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000440807432 865926772 /nfs/dbraw/zinc/92/67/72/865926772.db2.gz HZXZJQXNBQCMNZ-UWJYYQICSA-N 1 2 407.474 4.210 20 5 HIBDLO CCO[C@@H](C)c1nc(CN2CC[NH+]([C@@H](C)c3ccccc3[N+](=O)[O-])CC2)cs1 ZINC000441357818 866427376 /nfs/dbraw/zinc/42/73/76/866427376.db2.gz NBDRNVMTGZKRTP-HOTGVXAUSA-N 1 2 404.536 4.028 20 5 HIBDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)c(C)c1 ZINC000442180203 867202652 /nfs/dbraw/zinc/20/26/52/867202652.db2.gz FTAYVBQGIRQKHW-OAQYLSRUSA-N 1 2 403.442 4.061 20 5 HIBDLO O=C(NCCCNc1cccc[nH+]1)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000442723115 867649090 /nfs/dbraw/zinc/64/90/90/867649090.db2.gz YOOVUKJGDHCMOU-UHFFFAOYSA-N 1 2 408.483 4.373 20 5 HIBDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)C1 ZINC000444659955 868938017 /nfs/dbraw/zinc/93/80/17/868938017.db2.gz IQFMXDQZDVYSFR-INIZCTEOSA-N 1 2 422.510 4.499 20 5 HIBDLO O=[N+]([O-])c1ccccc1C[NH2+]Cc1ccc(Cl)cc1I ZINC000446839772 870758557 /nfs/dbraw/zinc/75/85/57/870758557.db2.gz CBMCJCUGQQSCFW-UHFFFAOYSA-N 1 2 402.619 4.143 20 5 HIBDLO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000447668914 871597141 /nfs/dbraw/zinc/59/71/41/871597141.db2.gz IAITUIFJHWKLPO-QGZVFWFLSA-N 1 2 401.488 4.031 20 5 HIBDLO O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1NCc1ccccc1-n1cc[nH+]c1 ZINC000447690867 871623711 /nfs/dbraw/zinc/62/37/11/871623711.db2.gz MBLPSYNKRADNLV-UHFFFAOYSA-N 1 2 413.306 4.442 20 5 HIBDLO C[C@@H]1C[N@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC2(CCOCC2)O1 ZINC000448353492 872301697 /nfs/dbraw/zinc/30/16/97/872301697.db2.gz GYXCMPYDDYUISC-MRXNPFEDSA-N 1 2 416.449 4.296 20 5 HIBDLO C[C@@H]1C[N@@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC2(CCOCC2)O1 ZINC000448353492 872301711 /nfs/dbraw/zinc/30/17/11/872301711.db2.gz GYXCMPYDDYUISC-MRXNPFEDSA-N 1 2 416.449 4.296 20 5 HIBDLO COCC[N@H+](Cc1cncs1)Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000448358285 872306764 /nfs/dbraw/zinc/30/67/64/872306764.db2.gz BXNQFYOLWWCHRR-UHFFFAOYSA-N 1 2 412.515 4.468 20 5 HIBDLO COCC[N@@H+](Cc1cncs1)Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000448358285 872306774 /nfs/dbraw/zinc/30/67/74/872306774.db2.gz BXNQFYOLWWCHRR-UHFFFAOYSA-N 1 2 412.515 4.468 20 5 HIBDLO CSCC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC(C)C)c1nnc2ccccn21 ZINC000460361840 872992614 /nfs/dbraw/zinc/99/26/14/872992614.db2.gz IOWPBKGYUGZEJM-QGZVFWFLSA-N 1 2 415.519 4.009 20 5 HIBDLO O=C(c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])N1CCn2c[nH+]cc2C1 ZINC000461193492 874190321 /nfs/dbraw/zinc/19/03/21/874190321.db2.gz KSJSMVSGRMMFPV-UHFFFAOYSA-N 1 2 414.874 4.252 20 5 HIBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000463040265 876065969 /nfs/dbraw/zinc/06/59/69/876065969.db2.gz USDRMOUZNQXMLR-FUHWJXTLSA-N 1 2 401.532 4.130 20 5 HIBDLO O=[N+]([O-])c1cccc(-c2nc(C[NH+]3CCC(c4noc(C5CC5)n4)CC3)cs2)c1 ZINC000463054337 876082154 /nfs/dbraw/zinc/08/21/54/876082154.db2.gz DQJAGSAYHXXWPH-UHFFFAOYSA-N 1 2 411.487 4.358 20 5 HIBDLO CC[C@@H](NC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000463315700 876374688 /nfs/dbraw/zinc/37/46/88/876374688.db2.gz PYUXSDLZHYQFPF-DNVCBOLYSA-N 1 2 402.520 4.196 20 5 HIBDLO COc1cc(C[N@H+](C)[C@H]2c3cc(Cl)cc(Cl)c3C[C@H]2O)c([N+](=O)[O-])cc1F ZINC000463482305 876539741 /nfs/dbraw/zinc/53/97/41/876539741.db2.gz JJJQHUYMRSVOEY-AEFFLSMTSA-N 1 2 415.248 4.139 20 5 HIBDLO COc1cc(C[N@@H+](C)[C@H]2c3cc(Cl)cc(Cl)c3C[C@H]2O)c([N+](=O)[O-])cc1F ZINC000463482305 876539751 /nfs/dbraw/zinc/53/97/51/876539751.db2.gz JJJQHUYMRSVOEY-AEFFLSMTSA-N 1 2 415.248 4.139 20 5 HIBDLO Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1 ZINC000464045379 877187353 /nfs/dbraw/zinc/18/73/53/877187353.db2.gz NMJSCLWWBCSSGM-VQTJNVASSA-N 1 2 404.470 4.497 20 5 HIBDLO CC(C)c1cc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n(-c2ccccc2)n1 ZINC000464664499 877884344 /nfs/dbraw/zinc/88/43/44/877884344.db2.gz DIFHQFBEKFYZEO-UHFFFAOYSA-N 1 2 416.441 4.342 20 5 HIBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCN(C(=O)Cc2cccc(Cl)c2)[C@H](C)C1 ZINC000464764828 878008080 /nfs/dbraw/zinc/00/80/80/878008080.db2.gz ITSAEMZIDMTSJV-HZPDHXFCSA-N 1 2 401.894 4.085 20 5 HIBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCN(C(=O)Cc2cccc(Cl)c2)[C@H](C)C1 ZINC000464764828 878008098 /nfs/dbraw/zinc/00/80/98/878008098.db2.gz ITSAEMZIDMTSJV-HZPDHXFCSA-N 1 2 401.894 4.085 20 5 HIBDLO C[N@H+](CCOc1ccc(C(F)(F)F)cc1)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000469755585 883920445 /nfs/dbraw/zinc/92/04/45/883920445.db2.gz HPKAGBOJSHZEPH-UHFFFAOYSA-N 1 2 422.363 4.174 20 5 HIBDLO C[N@@H+](CCOc1ccc(C(F)(F)F)cc1)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000469755585 883920455 /nfs/dbraw/zinc/92/04/55/883920455.db2.gz HPKAGBOJSHZEPH-UHFFFAOYSA-N 1 2 422.363 4.174 20 5 HIBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000471937686 886736867 /nfs/dbraw/zinc/73/68/67/886736867.db2.gz UILBIXKUWCRZBK-VQIMIIECSA-N 1 2 404.417 4.057 20 5 HIBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000471937686 886736881 /nfs/dbraw/zinc/73/68/81/886736881.db2.gz UILBIXKUWCRZBK-VQIMIIECSA-N 1 2 404.417 4.057 20 5 HIBDLO Cc1cn([C@H](C)c2ccccc2)nc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000472830391 887678100 /nfs/dbraw/zinc/67/81/00/887678100.db2.gz XBQKPQODBDGOCT-MRXNPFEDSA-N 1 2 416.441 4.147 20 5 HIBDLO C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccc(-c2cccnc2)cc1 ZINC000474740829 889596294 /nfs/dbraw/zinc/59/62/94/889596294.db2.gz UVUFLTFVWDUTPM-MRXNPFEDSA-N 1 2 413.437 4.334 20 5 HIBDLO COC(=O)c1nc([C@H]2CCC[N@@H+]2C/C(C)=C\c2cccc([N+](=O)[O-])c2)sc1C ZINC000475331385 890250623 /nfs/dbraw/zinc/25/06/23/890250623.db2.gz LFPANCBCBWHLFF-OJNOIJSXSA-N 1 2 401.488 4.387 20 5 HIBDLO COC(=O)c1nc([C@H]2CCC[N@H+]2C/C(C)=C\c2cccc([N+](=O)[O-])c2)sc1C ZINC000475331385 890250636 /nfs/dbraw/zinc/25/06/36/890250636.db2.gz LFPANCBCBWHLFF-OJNOIJSXSA-N 1 2 401.488 4.387 20 5 HIBDLO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N(Cc1ccccc1)c1cc[nH+]cc1 ZINC000475402402 890331101 /nfs/dbraw/zinc/33/11/01/890331101.db2.gz RQZDEKQVRQRIAR-UHFFFAOYSA-N 1 2 403.847 4.039 20 5 HIBDLO CCOc1cc(N2CC[NH+](Cc3cnc(C(C)(C)C)s3)CC2)ccc1[N+](=O)[O-] ZINC000475486453 890391765 /nfs/dbraw/zinc/39/17/65/890391765.db2.gz LDXYRTGWKMWDHF-UHFFFAOYSA-N 1 2 404.536 4.070 20 5 HIBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000475565369 890494401 /nfs/dbraw/zinc/49/44/01/890494401.db2.gz DQOIWZWPVSAWEK-VQIMIIECSA-N 1 2 404.417 4.057 20 5 HIBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000475565369 890494403 /nfs/dbraw/zinc/49/44/03/890494403.db2.gz DQOIWZWPVSAWEK-VQIMIIECSA-N 1 2 404.417 4.057 20 5 HIBDLO Cc1cc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cnc1N1CCCC[C@@H]1C ZINC000504846180 913571309 /nfs/dbraw/zinc/57/13/09/913571309.db2.gz LTUDYUGRXHTWEG-INIZCTEOSA-N 1 2 420.473 4.115 20 5 HIBDLO O=[N+]([O-])c1ccc(-c2noc(C[NH2+]C3(c4ccc(Br)cc4)CC3)n2)cc1 ZINC000477508594 892519861 /nfs/dbraw/zinc/51/98/61/892519861.db2.gz KYIYMIQPOZZVDE-UHFFFAOYSA-N 1 2 415.247 4.186 20 5 HIBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC(Cc2ccc(F)cc2)CC1 ZINC000504977312 913719288 /nfs/dbraw/zinc/71/92/88/913719288.db2.gz OZZAFZSZWXTQTQ-UHFFFAOYSA-N 1 2 408.433 4.015 20 5 HIBDLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000477994510 893096034 /nfs/dbraw/zinc/09/60/34/893096034.db2.gz AOHDFGMJBSHIFI-UHFFFAOYSA-N 1 2 401.220 4.308 20 5 HIBDLO CCc1nc2c(s1)[C@@H]([N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)CCC2 ZINC000478059247 893218472 /nfs/dbraw/zinc/21/84/72/893218472.db2.gz MRJYUAMFIRZYEF-HNNXBMFYSA-N 1 2 408.911 4.215 20 5 HIBDLO CCc1nc2c(s1)[C@@H]([N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)CCC2 ZINC000478059247 893218493 /nfs/dbraw/zinc/21/84/93/893218493.db2.gz MRJYUAMFIRZYEF-HNNXBMFYSA-N 1 2 408.911 4.215 20 5 HIBDLO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000480780801 896146362 /nfs/dbraw/zinc/14/63/62/896146362.db2.gz SSOFYRXVQZQXDO-UHFFFAOYSA-N 1 2 419.572 4.193 20 5 HIBDLO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000480780801 896146372 /nfs/dbraw/zinc/14/63/72/896146372.db2.gz SSOFYRXVQZQXDO-UHFFFAOYSA-N 1 2 419.572 4.193 20 5 HIBDLO C[N@H+](C[C@@H]1CCCO1)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000481601511 896981644 /nfs/dbraw/zinc/98/16/44/896981644.db2.gz TVQALDMVWUQQIH-LPHOPBHVSA-N 1 2 403.866 4.039 20 5 HIBDLO C[N@@H+](C[C@@H]1CCCO1)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000481601511 896981654 /nfs/dbraw/zinc/98/16/54/896981654.db2.gz TVQALDMVWUQQIH-LPHOPBHVSA-N 1 2 403.866 4.039 20 5 HIBDLO C[C@@H]1C[N@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C[C@@]2(CCCOC2)O1 ZINC000482457342 898026936 /nfs/dbraw/zinc/02/69/36/898026936.db2.gz UUPVMGPJIPMNJR-OPAMFIHVSA-N 1 2 416.449 4.296 20 5 HIBDLO C[C@@H]1C[N@@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C[C@@]2(CCCOC2)O1 ZINC000482457342 898026951 /nfs/dbraw/zinc/02/69/51/898026951.db2.gz UUPVMGPJIPMNJR-OPAMFIHVSA-N 1 2 416.449 4.296 20 5 HIBDLO O=C(Nc1ccccc1OCCn1cc[nH+]c1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000482850109 898461564 /nfs/dbraw/zinc/46/15/64/898461564.db2.gz SFCPTAILXDZGCQ-UHFFFAOYSA-N 1 2 421.457 4.067 20 5 HIBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000483269495 898908473 /nfs/dbraw/zinc/90/84/73/898908473.db2.gz LMIIHDCNIVDEMS-UHFFFAOYSA-N 1 2 400.504 4.022 20 5 HIBDLO CC[C@@H](c1ccc(Br)cc1)[NH+]1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000505610373 914314149 /nfs/dbraw/zinc/31/41/49/914314149.db2.gz MABRMXSDVPVWNA-KRWDZBQOSA-N 1 2 405.296 4.026 20 5 HIBDLO Cn1cc(C[N@H+](C)Cc2ccccc2Br)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000505666570 914364417 /nfs/dbraw/zinc/36/44/17/914364417.db2.gz XDRWSZOYZQWGNS-UHFFFAOYSA-N 1 2 415.291 4.390 20 5 HIBDLO Cn1cc(C[N@@H+](C)Cc2ccccc2Br)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000505666570 914364420 /nfs/dbraw/zinc/36/44/20/914364420.db2.gz XDRWSZOYZQWGNS-UHFFFAOYSA-N 1 2 415.291 4.390 20 5 HIBDLO Cc1ccc(F)c(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1Br ZINC000484690532 900127444 /nfs/dbraw/zinc/12/74/44/900127444.db2.gz PGZWZZCIXSJKAL-UHFFFAOYSA-N 1 2 419.210 4.243 20 5 HIBDLO CSc1cccc(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1[N+](=O)[O-] ZINC000485517396 900801620 /nfs/dbraw/zinc/80/16/20/900801620.db2.gz SCZAXIMEYMJSKP-DOTOQJQBSA-N 1 2 423.897 4.284 20 5 HIBDLO CSc1cccc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1[N+](=O)[O-] ZINC000485517396 900801625 /nfs/dbraw/zinc/80/16/25/900801625.db2.gz SCZAXIMEYMJSKP-DOTOQJQBSA-N 1 2 423.897 4.284 20 5 HIBDLO CSc1ccc(C(=O)Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000485993140 901211498 /nfs/dbraw/zinc/21/14/98/901211498.db2.gz XXZPAAURGYZTTP-GJZGRUSLSA-N 1 2 415.515 4.178 20 5 HIBDLO Cc1cc(N2CCC(n3ccc([N+](=O)[O-])n3)CC2)c2cccc(OC(F)(F)F)c2[nH+]1 ZINC000486012582 901223000 /nfs/dbraw/zinc/22/30/00/901223000.db2.gz BKHZWCHGPDMNMS-UHFFFAOYSA-N 1 2 421.379 4.388 20 5 HIBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000487093608 902054786 /nfs/dbraw/zinc/05/47/86/902054786.db2.gz MYCTVHIRUHCBOQ-UHFFFAOYSA-N 1 2 414.531 4.412 20 5 HIBDLO O=C(c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000487349442 902156362 /nfs/dbraw/zinc/15/63/62/902156362.db2.gz FQQYMWHWTRGUKB-UHFFFAOYSA-N 1 2 408.483 4.489 20 5 HIBDLO Cc1c(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2nc(C(F)(F)F)cs2)cccc1[N+](=O)[O-] ZINC000490066614 903756890 /nfs/dbraw/zinc/75/68/90/903756890.db2.gz LXJPOVYAYNMUHZ-ZJUUUORDSA-N 1 2 402.398 4.056 20 5 HIBDLO CS(=O)(=O)c1cccc([C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])c2ccc(F)cc2)c1 ZINC000493226066 905056011 /nfs/dbraw/zinc/05/60/11/905056011.db2.gz HIILALPWXOWUED-NRFANRHFSA-N 1 2 414.458 4.017 20 5 HIBDLO CO[C@H](C)c1nc(CN2CCC[N@H+](Cc3c(Cl)cccc3[N+](=O)[O-])CC2)cs1 ZINC000493310552 905083164 /nfs/dbraw/zinc/08/31/64/905083164.db2.gz LXVIZUXIIVTHOI-CQSZACIVSA-N 1 2 424.954 4.120 20 5 HIBDLO CO[C@H](C)c1nc(CN2CCC[N@@H+](Cc3c(Cl)cccc3[N+](=O)[O-])CC2)cs1 ZINC000493310552 905083184 /nfs/dbraw/zinc/08/31/84/905083184.db2.gz LXVIZUXIIVTHOI-CQSZACIVSA-N 1 2 424.954 4.120 20 5 HIBDLO CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)c2ccc([N+](=O)[O-])cc2C)cc1 ZINC000497518304 907009345 /nfs/dbraw/zinc/00/93/45/907009345.db2.gz YONDLWCABZXKDR-UHFFFAOYSA-N 1 2 422.485 4.231 20 5 HIBDLO CC(C)[C@H](C)C(=O)N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000497795670 907281797 /nfs/dbraw/zinc/28/17/97/907281797.db2.gz PPCXXHKVDBACQC-INIZCTEOSA-N 1 2 401.532 4.260 20 5 HIBDLO O=C(Nc1c(-c2ccccc2)nc2ccccn21)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000500332343 909792479 /nfs/dbraw/zinc/79/24/79/909792479.db2.gz NXSIKAFUBBWVMX-UHFFFAOYSA-N 1 2 424.420 4.348 20 5 HIBDLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000502752323 911775350 /nfs/dbraw/zinc/77/53/50/911775350.db2.gz ZHGBZOXXHCNTSM-UHFFFAOYSA-N 1 2 406.320 4.178 20 5 HIBDLO COc1cc(C[N@@H+]2CCSC[C@H]2c2ccccc2)c([N+](=O)[O-])cc1OC(F)F ZINC000506430971 915034821 /nfs/dbraw/zinc/03/48/21/915034821.db2.gz FDISLZOFIUKYCG-INIZCTEOSA-N 1 2 410.442 4.495 20 5 HIBDLO COc1cc(C[N@H+]2CCSC[C@H]2c2ccccc2)c([N+](=O)[O-])cc1OC(F)F ZINC000506430971 915034841 /nfs/dbraw/zinc/03/48/41/915034841.db2.gz FDISLZOFIUKYCG-INIZCTEOSA-N 1 2 410.442 4.495 20 5 HIBDLO C[N@H+](CC(=O)NC(C)(C)C)Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000506720537 915398233 /nfs/dbraw/zinc/39/82/33/915398233.db2.gz UBEAJDDEGLAECB-UHFFFAOYSA-N 1 2 405.882 4.387 20 5 HIBDLO C[N@@H+](CC(=O)NC(C)(C)C)Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000506720537 915398252 /nfs/dbraw/zinc/39/82/52/915398252.db2.gz UBEAJDDEGLAECB-UHFFFAOYSA-N 1 2 405.882 4.387 20 5 HIBDLO Cn1cc(C[N@@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000507663312 916427683 /nfs/dbraw/zinc/42/76/83/916427683.db2.gz BEWSYXZBYCLIQW-HXUWFJFHSA-N 1 2 412.877 4.222 20 5 HIBDLO Cn1cc(C[N@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000507663312 916427693 /nfs/dbraw/zinc/42/76/93/916427693.db2.gz BEWSYXZBYCLIQW-HXUWFJFHSA-N 1 2 412.877 4.222 20 5 HIBDLO O=C(NC1CC1)[C@H]1CCC[N@H+]1Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000508020449 916857292 /nfs/dbraw/zinc/85/72/92/916857292.db2.gz GULZGMNFMDIBIJ-QGZVFWFLSA-N 1 2 415.877 4.284 20 5 HIBDLO O=C(NC1CC1)[C@H]1CCC[N@@H+]1Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000508020449 916857299 /nfs/dbraw/zinc/85/72/99/916857299.db2.gz GULZGMNFMDIBIJ-QGZVFWFLSA-N 1 2 415.877 4.284 20 5 HIBDLO Cc1cc([NH+]2CCCCCC2)ccc1NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000508067023 916890393 /nfs/dbraw/zinc/89/03/93/916890393.db2.gz GTXLVVCOZIBKMO-UHFFFAOYSA-N 1 2 417.531 4.268 20 5 HIBDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CC2)c1 ZINC000508241767 917059067 /nfs/dbraw/zinc/05/90/67/917059067.db2.gz UUIDJSIGZQWEBG-CQSZACIVSA-N 1 2 418.881 4.168 20 5 HIBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000509197270 917901792 /nfs/dbraw/zinc/90/17/92/917901792.db2.gz QIVXOOPDQVQWQI-KBPBESRZSA-N 1 2 420.560 4.403 20 5 HIBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000509197270 917901801 /nfs/dbraw/zinc/90/18/01/917901801.db2.gz QIVXOOPDQVQWQI-KBPBESRZSA-N 1 2 420.560 4.403 20 5 HIBDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)n2)C1 ZINC000509233691 917930025 /nfs/dbraw/zinc/93/00/25/917930025.db2.gz IOTROUSREJGJCB-GFCCVEGCSA-N 1 2 400.460 4.282 20 5 HIBDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)n2)C1 ZINC000509233691 917930035 /nfs/dbraw/zinc/93/00/35/917930035.db2.gz IOTROUSREJGJCB-GFCCVEGCSA-N 1 2 400.460 4.282 20 5 HIBDLO CC(C)C(=O)N1CCC[N@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC1 ZINC000510450812 918906524 /nfs/dbraw/zinc/90/65/24/918906524.db2.gz XTKRDNZYBXSKBL-UHFFFAOYSA-N 1 2 415.465 4.217 20 5 HIBDLO CC(C)C(=O)N1CCC[N@@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC1 ZINC000510450812 918906531 /nfs/dbraw/zinc/90/65/31/918906531.db2.gz XTKRDNZYBXSKBL-UHFFFAOYSA-N 1 2 415.465 4.217 20 5 HIBDLO Cn1cc(C(F)(F)F)nc1[C@H]1CCC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000510608625 919050456 /nfs/dbraw/zinc/05/04/56/919050456.db2.gz MZKBBKXWLGUOGJ-JTQLQIEISA-N 1 2 404.339 4.005 20 5 HIBDLO Cn1cc(C(F)(F)F)nc1[C@H]1CCC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000510608625 919050470 /nfs/dbraw/zinc/05/04/70/919050470.db2.gz MZKBBKXWLGUOGJ-JTQLQIEISA-N 1 2 404.339 4.005 20 5 HIBDLO CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000510692085 919130071 /nfs/dbraw/zinc/13/00/71/919130071.db2.gz YNKMCQDYFGQADI-QGZVFWFLSA-N 1 2 421.501 4.344 20 5 HIBDLO CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000510692085 919130082 /nfs/dbraw/zinc/13/00/82/919130082.db2.gz YNKMCQDYFGQADI-QGZVFWFLSA-N 1 2 421.501 4.344 20 5 HIBDLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000511175771 919799125 /nfs/dbraw/zinc/79/91/25/919799125.db2.gz ZLQZIKLAXCPZTM-INIZCTEOSA-N 1 2 420.494 4.150 20 5 HIBDLO COc1ccc(-c2ccc(C[N@@H+]3CCO[C@H](c4cccs4)C3)o2)c([N+](=O)[O-])c1 ZINC000512210611 920956732 /nfs/dbraw/zinc/95/67/32/920956732.db2.gz GMIPXMPYQSYRHP-IBGZPJMESA-N 1 2 400.456 4.498 20 5 HIBDLO COc1ccc(-c2ccc(C[N@H+]3CCO[C@H](c4cccs4)C3)o2)c([N+](=O)[O-])c1 ZINC000512210611 920956744 /nfs/dbraw/zinc/95/67/44/920956744.db2.gz GMIPXMPYQSYRHP-IBGZPJMESA-N 1 2 400.456 4.498 20 5 HIBDLO CC[N@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)Cc1ccc(C(=O)N(C)C)cc1 ZINC000513745522 922067211 /nfs/dbraw/zinc/06/72/11/922067211.db2.gz ACGLRYRNRLHJMB-UHFFFAOYSA-N 1 2 424.526 4.442 20 5 HIBDLO CC[N@@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)Cc1ccc(C(=O)N(C)C)cc1 ZINC000513745522 922067223 /nfs/dbraw/zinc/06/72/23/922067223.db2.gz ACGLRYRNRLHJMB-UHFFFAOYSA-N 1 2 424.526 4.442 20 5 HIBDLO 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ZINC000533268280 931824768 /nfs/dbraw/zinc/82/47/68/931824768.db2.gz CZGRPWAJHHEACA-UHFFFAOYSA-N 1 2 424.284 4.297 20 5 HIBDLO C[C@H](O)[C@@H]1CCC[N@@H+]([C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C1 ZINC000534109404 932283723 /nfs/dbraw/zinc/28/37/23/932283723.db2.gz AVNUSIMHEDSSPA-NBQZKYEYSA-N 1 2 417.893 4.021 20 5 HIBDLO C[C@H](O)[C@@H]1CCC[N@H+]([C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C1 ZINC000534109404 932283734 /nfs/dbraw/zinc/28/37/34/932283734.db2.gz AVNUSIMHEDSSPA-NBQZKYEYSA-N 1 2 417.893 4.021 20 5 HIBDLO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3ccc(N(C)c4ccccc4)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000535810923 933407116 /nfs/dbraw/zinc/40/71/16/933407116.db2.gz FGNSIYBQYHXLDA-UEVCKROQSA-N 1 2 411.502 4.131 20 5 HIBDLO CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3ccc(N(C)c4ccccc4)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000535810923 933407118 /nfs/dbraw/zinc/40/71/18/933407118.db2.gz FGNSIYBQYHXLDA-UEVCKROQSA-N 1 2 411.502 4.131 20 5 HIBDLO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CC[C@@H](n3cc(Cl)cn3)C2)cc1OC ZINC000563295668 945171865 /nfs/dbraw/zinc/17/18/65/945171865.db2.gz CLNIXZPAIPBKFI-WMLDXEAASA-N 1 2 422.913 4.325 20 5 HIBDLO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CC[C@@H](n3cc(Cl)cn3)C2)cc1OC ZINC000563295668 945171876 /nfs/dbraw/zinc/17/18/76/945171876.db2.gz CLNIXZPAIPBKFI-WMLDXEAASA-N 1 2 422.913 4.325 20 5 HIBDLO CCCOc1ccc([C@@H](C)[NH2+]Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1OC ZINC000538150130 938522555 /nfs/dbraw/zinc/52/25/55/938522555.db2.gz JFPZVYGBEIVIBL-CQSZACIVSA-N 1 2 412.446 4.293 20 5 HIBDLO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000538586350 938655756 /nfs/dbraw/zinc/65/57/56/938655756.db2.gz VGWONIPEHJRYDO-UHFFFAOYSA-N 1 2 419.572 4.337 20 5 HIBDLO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000538586350 938655758 /nfs/dbraw/zinc/65/57/58/938655758.db2.gz VGWONIPEHJRYDO-UHFFFAOYSA-N 1 2 419.572 4.337 20 5 HIBDLO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000539294043 938835424 /nfs/dbraw/zinc/83/54/24/938835424.db2.gz WRICJALMVIEWDZ-UHFFFAOYSA-N 1 2 410.499 4.270 20 5 HIBDLO C[C@@H]([NH2+][C@H](C)c1cccc(N2CCCC2=O)c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000540407544 939237533 /nfs/dbraw/zinc/23/75/33/939237533.db2.gz NNHFAZLVDUOEIC-HUUCEWRRSA-N 1 2 421.457 4.183 20 5 HIBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000541660044 939592649 /nfs/dbraw/zinc/59/26/49/939592649.db2.gz GKOIIDKCAZLLLE-ZDUSSCGKSA-N 1 2 412.471 4.016 20 5 HIBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C)c1nc(-c2ccccc2)cs1 ZINC000541660043 939592793 /nfs/dbraw/zinc/59/27/93/939592793.db2.gz GKOIIDKCAZLLLE-CYBMUJFWSA-N 1 2 412.471 4.016 20 5 HIBDLO COc1cc(C[NH2+][C@H](c2nc(C)cs2)C2CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000542546741 939841879 /nfs/dbraw/zinc/84/18/79/939841879.db2.gz GFNIUJVZIPTWFJ-KRWDZBQOSA-N 1 2 413.446 4.253 20 5 HIBDLO 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O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000547788635 941075968 /nfs/dbraw/zinc/07/59/68/941075968.db2.gz IDGOTDWDXBENNO-UHFFFAOYSA-N 1 2 414.409 4.025 20 5 HIBDLO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](c1ccccc1)[N@@H+]1CCC[C@@H](CO)CC1 ZINC000550489206 941332401 /nfs/dbraw/zinc/33/24/01/941332401.db2.gz DRWJFUNZZFWLIH-FOIQADDNSA-N 1 2 417.893 4.022 20 5 HIBDLO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](c1ccccc1)[N@H+]1CCC[C@@H](CO)CC1 ZINC000550489206 941332404 /nfs/dbraw/zinc/33/24/04/941332404.db2.gz DRWJFUNZZFWLIH-FOIQADDNSA-N 1 2 417.893 4.022 20 5 HIBDLO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000550632958 941348169 /nfs/dbraw/zinc/34/81/69/941348169.db2.gz RFIPEXDCTNEVNE-UHFFFAOYSA-N 1 2 401.220 4.104 20 5 HIBDLO Cc1ccccc1C(=O)NC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000555405341 942518087 /nfs/dbraw/zinc/51/80/87/942518087.db2.gz PPBGEDOBHODUHZ-UHFFFAOYSA-N 1 2 421.419 4.316 20 5 HIBDLO Cn1ccnc1[C@@H]([NH2+]CCOc1cccc(Cl)c1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000556865234 942943310 /nfs/dbraw/zinc/94/33/10/942943310.db2.gz MHWRDOJMHWSKMV-SFHVURJKSA-N 1 2 421.284 4.393 20 5 HIBDLO C[C@H](C[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)Oc1ccccc1Cl ZINC000556885889 942950750 /nfs/dbraw/zinc/95/07/50/942950750.db2.gz IWMJARQGXOSHSY-KUHUBIRLSA-N 1 2 400.866 4.128 20 5 HIBDLO C[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1ccccc1-c1ccccc1 ZINC000558150617 943397532 /nfs/dbraw/zinc/39/75/32/943397532.db2.gz OXUODQQTVQDVJO-UHFFFAOYSA-N 1 2 410.495 4.168 20 5 HIBDLO C[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1ccccc1-c1ccccc1 ZINC000558150617 943397540 /nfs/dbraw/zinc/39/75/40/943397540.db2.gz OXUODQQTVQDVJO-UHFFFAOYSA-N 1 2 410.495 4.168 20 5 HIBDLO C[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@@H+]1CCC(F)(F)[C@H](C)C1 ZINC000558467493 943567610 /nfs/dbraw/zinc/56/76/10/943567610.db2.gz XRTYAKHFMNRJAQ-NEPJUHHUSA-N 1 2 410.446 4.022 20 5 HIBDLO C[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@H+]1CCC(F)(F)[C@H](C)C1 ZINC000558467493 943567613 /nfs/dbraw/zinc/56/76/13/943567613.db2.gz XRTYAKHFMNRJAQ-NEPJUHHUSA-N 1 2 410.446 4.022 20 5 HIBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000559144140 943853324 /nfs/dbraw/zinc/85/33/24/943853324.db2.gz GNDYNFQDOBCRMS-AWEZNQCLSA-N 1 2 414.849 4.383 20 5 HIBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000559144140 943853325 /nfs/dbraw/zinc/85/33/25/943853325.db2.gz GNDYNFQDOBCRMS-AWEZNQCLSA-N 1 2 414.849 4.383 20 5 HIBDLO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000560517537 944240423 /nfs/dbraw/zinc/24/04/23/944240423.db2.gz WZCDXPABRSKQMT-BZUAXINKSA-N 1 2 400.504 4.010 20 5 HIBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+](Cc3cccs3)[C@@H]3C=C[C@H](CO)C3)co2)cc1 ZINC000561913370 944853154 /nfs/dbraw/zinc/85/31/54/944853154.db2.gz NYQGORNBTPBBNJ-HNAYVOBHSA-N 1 2 411.483 4.251 20 5 HIBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@H+](Cc3cccs3)[C@@H]3C=C[C@H](CO)C3)co2)cc1 ZINC000561913370 944853155 /nfs/dbraw/zinc/85/31/55/944853155.db2.gz NYQGORNBTPBBNJ-HNAYVOBHSA-N 1 2 411.483 4.251 20 5 HIBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCCN(c4ccccc4Cl)CC3)n2)cc1 ZINC000561945544 944870210 /nfs/dbraw/zinc/87/02/10/944870210.db2.gz VBRDNBINYJPKLW-UHFFFAOYSA-N 1 2 413.865 4.011 20 5 HIBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCCN(c4ccccc4Cl)CC3)n2)cc1 ZINC000561945544 944870215 /nfs/dbraw/zinc/87/02/15/944870215.db2.gz VBRDNBINYJPKLW-UHFFFAOYSA-N 1 2 413.865 4.011 20 5 HIBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1CCC(c2noc3cc(F)ccc32)CC1 ZINC000566766331 946093322 /nfs/dbraw/zinc/09/33/22/946093322.db2.gz IRIZFDGGIPYAMT-UHFFFAOYSA-N 1 2 412.421 4.002 20 5 HIBDLO COc1ccc(NC(=O)[C@H](C)[NH+]2CCC(c3cccc(F)c3F)CC2)c([N+](=O)[O-])c1 ZINC000568942780 946775320 /nfs/dbraw/zinc/77/53/20/946775320.db2.gz VHKCKGUIGLLBGF-ZDUSSCGKSA-N 1 2 419.428 4.088 20 5 HIBDLO Cc1[nH+]c2cc(F)c(F)cc2n1Cc1nc(Cc2c[nH]c3ccc([N+](=O)[O-])cc23)no1 ZINC000571086581 947488325 /nfs/dbraw/zinc/48/83/25/947488325.db2.gz OROQJZVRBHCDCB-UHFFFAOYSA-N 1 2 424.367 4.035 20 5 HIBDLO O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000436015727 861308743 /nfs/dbraw/zinc/30/87/43/861308743.db2.gz WQBQSHLCZFOYOL-UHFFFAOYSA-N 1 2 423.860 4.269 20 5 HIBDLO CC(C)CCSc1ccc(C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)cc1[N+](=O)[O-] ZINC000023607287 846728625 /nfs/dbraw/zinc/72/86/25/846728625.db2.gz MEOOCCKXMSNCBH-UHFFFAOYSA-N 1 2 420.560 4.430 20 5 HIBDLO CC(C)CCSc1ccc(C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)cc1[N+](=O)[O-] ZINC000023607287 846728632 /nfs/dbraw/zinc/72/86/32/846728632.db2.gz MEOOCCKXMSNCBH-UHFFFAOYSA-N 1 2 420.560 4.430 20 5 HIBDLO COc1ccc(Cl)cc1C[NH+]1CCN(c2ccc([N+](=O)[O-])c3cccnc32)CC1 ZINC000026713375 847188642 /nfs/dbraw/zinc/18/86/42/847188642.db2.gz HZLACVXURWBCOO-UHFFFAOYSA-N 1 2 412.877 4.127 20 5 HIBDLO C[N@H+](Cc1ccccc1NS(=O)(=O)c1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000029384586 847556323 /nfs/dbraw/zinc/55/63/23/847556323.db2.gz JSIQUKZTUOQAAU-UHFFFAOYSA-N 1 2 403.504 4.160 20 5 HIBDLO C[N@@H+](Cc1ccccc1NS(=O)(=O)c1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000029384586 847556332 /nfs/dbraw/zinc/55/63/32/847556332.db2.gz JSIQUKZTUOQAAU-UHFFFAOYSA-N 1 2 403.504 4.160 20 5 HIBDLO O=C(Nc1ncc(Cc2ccccc2)s1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000033229743 848129978 /nfs/dbraw/zinc/12/99/78/848129978.db2.gz XGQWFEYQSCAEAM-UHFFFAOYSA-N 1 2 405.439 4.080 20 5 HIBDLO O=C(Nc1nc(-c2cccc(F)c2)cs1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000052611577 849601374 /nfs/dbraw/zinc/60/13/74/849601374.db2.gz OCAVEYYCQLWGQT-UHFFFAOYSA-N 1 2 409.402 4.295 20 5 HIBDLO O=C(N[C@H](CC(F)(F)F)c1ccccc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000055867401 850186083 /nfs/dbraw/zinc/18/60/83/850186083.db2.gz BCUBRFNVMJNGAV-OAHLLOKOSA-N 1 2 404.348 4.204 20 5 HIBDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000437035807 862223091 /nfs/dbraw/zinc/22/30/91/862223091.db2.gz XQBHATIIDYYPJG-UHFFFAOYSA-N 1 2 402.882 4.022 20 5 HIBDLO CC(C)[N@H+](Cc1csc(-c2ccc(C(N)=O)cc2)n1)Cc1ccc([N+](=O)[O-])cc1 ZINC000064349987 851877024 /nfs/dbraw/zinc/87/70/24/851877024.db2.gz MZPKFRBJLZOKRE-UHFFFAOYSA-N 1 2 410.499 4.228 20 5 HIBDLO CC(C)[N@@H+](Cc1csc(-c2ccc(C(N)=O)cc2)n1)Cc1ccc([N+](=O)[O-])cc1 ZINC000064349987 851877025 /nfs/dbraw/zinc/87/70/25/851877025.db2.gz MZPKFRBJLZOKRE-UHFFFAOYSA-N 1 2 410.499 4.228 20 5 HIBDLO Cc1ccc(-c2nnc(NC(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)s2)c(C)c1 ZINC000065083566 852058726 /nfs/dbraw/zinc/05/87/26/852058726.db2.gz XJGCBTKBZFUGDQ-UHFFFAOYSA-N 1 2 420.454 4.168 20 5 HIBDLO C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccccc1C(F)(F)F ZINC000065718291 852233072 /nfs/dbraw/zinc/23/30/72/852233072.db2.gz XVNOZCQTHNMHPO-GFCCVEGCSA-N 1 2 404.348 4.290 20 5 HIBDLO O=C(C[N@@H+](Cc1cccc(F)c1)C[C@H]1CCCO1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000109572626 852987298 /nfs/dbraw/zinc/98/72/98/852987298.db2.gz NRKIXVXLBKSMBQ-QGZVFWFLSA-N 1 2 421.856 4.007 20 5 HIBDLO O=C(C[N@H+](Cc1cccc(F)c1)C[C@H]1CCCO1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000109572626 852987303 /nfs/dbraw/zinc/98/73/03/852987303.db2.gz NRKIXVXLBKSMBQ-QGZVFWFLSA-N 1 2 421.856 4.007 20 5 HIBDLO CC(C)([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1cn(-c2ccccc2)nn1 ZINC000236702500 853913086 /nfs/dbraw/zinc/91/30/86/853913086.db2.gz OQBHAORGKCSHKL-UHFFFAOYSA-N 1 2 403.442 4.460 20 5 HIBDLO COc1cc(OC)c(OC)cc1C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000237318065 854005736 /nfs/dbraw/zinc/00/57/36/854005736.db2.gz VYWQDFMGSXTLPQ-UHFFFAOYSA-N 1 2 415.471 4.034 20 5 HIBDLO Cc1ccc(Sc2ccc(C[NH2+][C@H](C)c3nnc4n3CCC4)cc2[N+](=O)[O-])cc1 ZINC000237410371 854026605 /nfs/dbraw/zinc/02/66/05/854026605.db2.gz ZSARAKMESFDKHC-OAHLLOKOSA-N 1 2 409.515 4.443 20 5 HIBDLO Cc1nc(Sc2nnc([C@H](C)[NH+](C)C)n2-c2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000301651169 854437586 /nfs/dbraw/zinc/43/75/86/854437586.db2.gz QBRVZWJHILZHTJ-LBPRGKRZSA-N 1 2 418.910 4.306 20 5 HIBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000303555938 855037697 /nfs/dbraw/zinc/03/76/97/855037697.db2.gz WQOAEFBMGXDLBU-INIZCTEOSA-N 1 2 405.857 4.090 20 5 HIBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000303555938 855037700 /nfs/dbraw/zinc/03/77/00/855037700.db2.gz WQOAEFBMGXDLBU-INIZCTEOSA-N 1 2 405.857 4.090 20 5 HIBDLO O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410279648 855899086 /nfs/dbraw/zinc/89/90/86/855899086.db2.gz QVIQBFOSBMBJAS-CYBMUJFWSA-N 1 2 422.407 4.166 20 5 HIBDLO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410292939 855909236 /nfs/dbraw/zinc/90/92/36/855909236.db2.gz TZCUFMUIYZPXJV-AWEZNQCLSA-N 1 2 402.882 4.109 20 5 HIBDLO COc1cc(C[N@H+](C)Cc2ccc(Br)c(F)c2)c([N+](=O)[O-])cc1OC ZINC000426386527 856269691 /nfs/dbraw/zinc/26/96/91/856269691.db2.gz XJOKDSJNLZWVCJ-UHFFFAOYSA-N 1 2 413.243 4.146 20 5 HIBDLO COc1cc(C[N@@H+](C)Cc2ccc(Br)c(F)c2)c([N+](=O)[O-])cc1OC ZINC000426386527 856269703 /nfs/dbraw/zinc/26/97/03/856269703.db2.gz XJOKDSJNLZWVCJ-UHFFFAOYSA-N 1 2 413.243 4.146 20 5 HIBDLO CN(CCCn1cc[nH+]c1)C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000427095886 856633387 /nfs/dbraw/zinc/63/33/87/856633387.db2.gz YQQNAYZUQLUBIT-UHFFFAOYSA-N 1 2 414.849 4.399 20 5 HIBDLO C[C@H]1CCN(C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000427156663 856676489 /nfs/dbraw/zinc/67/64/89/856676489.db2.gz BIFJAGSLMJHALW-JTSKRJEESA-N 1 2 420.469 4.094 20 5 HIBDLO Cc1noc(C[C@H]([NH2+]Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)c2ccccc2)n1 ZINC000429527688 857720616 /nfs/dbraw/zinc/72/06/16/857720616.db2.gz KKQDQIMPLCJOJY-IBGZPJMESA-N 1 2 405.414 4.015 20 5 HIBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000433315866 859634276 /nfs/dbraw/zinc/63/42/76/859634276.db2.gz CMWWHCXEFSAPMX-UKRRQHHQSA-N 1 2 403.866 4.073 20 5 HIBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000433315866 859634282 /nfs/dbraw/zinc/63/42/82/859634282.db2.gz CMWWHCXEFSAPMX-UKRRQHHQSA-N 1 2 403.866 4.073 20 5 HIBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000433315864 859634504 /nfs/dbraw/zinc/63/45/04/859634504.db2.gz CMWWHCXEFSAPMX-HIFRSBDPSA-N 1 2 403.866 4.073 20 5 HIBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000433315864 859634506 /nfs/dbraw/zinc/63/45/06/859634506.db2.gz CMWWHCXEFSAPMX-HIFRSBDPSA-N 1 2 403.866 4.073 20 5 HIBDLO C[C@@H]1[C@H](c2ccccc2)CC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000434907128 860549745 /nfs/dbraw/zinc/54/97/45/860549745.db2.gz WBMJLHCBLHBEJK-CZUORRHYSA-N 1 2 418.291 4.174 20 5 HIBDLO C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000434907128 860549749 /nfs/dbraw/zinc/54/97/49/860549749.db2.gz WBMJLHCBLHBEJK-CZUORRHYSA-N 1 2 418.291 4.174 20 5 HIBDLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000441066665 866152681 /nfs/dbraw/zinc/15/26/81/866152681.db2.gz PBRQTYNZQXDGNI-INIZCTEOSA-N 1 2 420.494 4.150 20 5 HIBDLO O=C(NCc1ccco1)c1cccc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000441273788 866349463 /nfs/dbraw/zinc/34/94/63/866349463.db2.gz XYLVTNRPDLTGIJ-UHFFFAOYSA-N 1 2 405.454 4.282 20 5 HIBDLO O=C(NCc1ccco1)c1cccc(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000441273788 866349476 /nfs/dbraw/zinc/34/94/76/866349476.db2.gz XYLVTNRPDLTGIJ-UHFFFAOYSA-N 1 2 405.454 4.282 20 5 HIBDLO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000444824844 869033334 /nfs/dbraw/zinc/03/33/34/869033334.db2.gz IAPSODVCVFZCFG-OAQYLSRUSA-N 1 2 415.493 4.231 20 5 HIBDLO COc1ccc(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c(OCc2cccnc2)c1 ZINC000447748435 871693452 /nfs/dbraw/zinc/69/34/52/871693452.db2.gz WWXXKZFJDLMLGK-UHFFFAOYSA-N 1 2 405.454 4.136 20 5 HIBDLO COc1ccc(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c(OCc2cccnc2)c1 ZINC000447748435 871693461 /nfs/dbraw/zinc/69/34/61/871693461.db2.gz WWXXKZFJDLMLGK-UHFFFAOYSA-N 1 2 405.454 4.136 20 5 HIBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000462497017 875610399 /nfs/dbraw/zinc/61/03/99/875610399.db2.gz VCVJIRULNIXNHN-HXUWFJFHSA-N 1 2 410.518 4.255 20 5 HIBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000462632865 875744717 /nfs/dbraw/zinc/74/47/17/875744717.db2.gz TXCPMDRPPNXBFI-NRFANRHFSA-N 1 2 424.545 4.324 20 5 HIBDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)Nc3cc([N+](=O)[O-])c(C)cc3C)CC2)c1 ZINC000463948868 877069241 /nfs/dbraw/zinc/06/92/41/877069241.db2.gz JSIXBTSXASKABM-QGZVFWFLSA-N 1 2 412.490 4.131 20 5 HIBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000463947953 877070052 /nfs/dbraw/zinc/07/00/52/877070052.db2.gz FIEBBTZBBLPZBO-CTNGQTDRSA-N 1 2 405.458 4.458 20 5 HIBDLO COc1cc(Br)c(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)c(OC)c1 ZINC000466469767 880252437 /nfs/dbraw/zinc/25/24/37/880252437.db2.gz WSQCKAOGLXZLFZ-UHFFFAOYSA-N 1 2 415.671 4.318 20 5 HIBDLO Cc1c(NC(=O)[C@H](C)[N@H+](C)Cc2csc(Br)c2)cccc1[N+](=O)[O-] ZINC000467190871 880917030 /nfs/dbraw/zinc/91/70/30/880917030.db2.gz JHCBAVNDAHXBBJ-NSHDSACASA-N 1 2 412.309 4.186 20 5 HIBDLO Cc1c(NC(=O)[C@H](C)[N@@H+](C)Cc2csc(Br)c2)cccc1[N+](=O)[O-] ZINC000467190871 880917040 /nfs/dbraw/zinc/91/70/40/880917040.db2.gz JHCBAVNDAHXBBJ-NSHDSACASA-N 1 2 412.309 4.186 20 5 HIBDLO C[C@H]1CCN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C[C@H]1n1cc[nH+]c1 ZINC000469384758 883527678 /nfs/dbraw/zinc/52/76/78/883527678.db2.gz WGYIIVPVAOJAQA-HRAATJIYSA-N 1 2 405.458 4.258 20 5 HIBDLO Cc1coc(-c2ccc(C)c(NC(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)c2)n1 ZINC000470095679 884354339 /nfs/dbraw/zinc/35/43/39/884354339.db2.gz BIUIHSXZIFNUDM-UHFFFAOYSA-N 1 2 403.398 4.305 20 5 HIBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000471989193 886816479 /nfs/dbraw/zinc/81/64/79/886816479.db2.gz RVUDWSMHTJYJCZ-QFBILLFUSA-N 1 2 404.417 4.057 20 5 HIBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000471989193 886816482 /nfs/dbraw/zinc/81/64/82/886816482.db2.gz RVUDWSMHTJYJCZ-QFBILLFUSA-N 1 2 404.417 4.057 20 5 HIBDLO COC(=O)COc1ccc(CNc2[nH+]c3ccccc3n2C2CCCC2)cc1[N+](=O)[O-] ZINC000473478286 888200535 /nfs/dbraw/zinc/20/05/35/888200535.db2.gz DFIQLGLXKMYAPF-UHFFFAOYSA-N 1 2 424.457 4.224 20 5 HIBDLO COc1ccc([C@@H]2CC[N@@H+]([C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C2)cc1 ZINC000504495174 913285516 /nfs/dbraw/zinc/28/55/16/913285516.db2.gz YMCVKYCBKTXOEO-UKRRQHHQSA-N 1 2 403.866 4.073 20 5 HIBDLO COc1ccc([C@@H]2CC[N@H+]([C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C2)cc1 ZINC000504495174 913285534 /nfs/dbraw/zinc/28/55/34/913285534.db2.gz YMCVKYCBKTXOEO-UKRRQHHQSA-N 1 2 403.866 4.073 20 5 HIBDLO C[C@H]1OCC[C@@]12C[N@H+](Cc1ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c1)CCO2 ZINC000475296454 890203785 /nfs/dbraw/zinc/20/37/85/890203785.db2.gz VBWPJUHSKOTKFO-QVKFZJNVSA-N 1 2 418.877 4.420 20 5 HIBDLO C[C@H]1OCC[C@@]12C[N@@H+](Cc1ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c1)CCO2 ZINC000475296454 890203800 /nfs/dbraw/zinc/20/38/00/890203800.db2.gz VBWPJUHSKOTKFO-QVKFZJNVSA-N 1 2 418.877 4.420 20 5 HIBDLO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000477399501 892353729 /nfs/dbraw/zinc/35/37/29/892353729.db2.gz AFTSLAODTPLGGL-CRAIPNDOSA-N 1 2 409.820 4.010 20 5 HIBDLO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000477399501 892353752 /nfs/dbraw/zinc/35/37/52/892353752.db2.gz AFTSLAODTPLGGL-CRAIPNDOSA-N 1 2 409.820 4.010 20 5 HIBDLO O=[N+]([O-])c1ccc(-c2nc(C[NH+]3CCN(c4cncc5ccccc54)CC3)co2)cc1 ZINC000477657227 892789968 /nfs/dbraw/zinc/78/99/68/892789968.db2.gz CLYRFBMTJJBBJQ-UHFFFAOYSA-N 1 2 415.453 4.120 20 5 HIBDLO CC(C)CN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@H]1CCCc2cccnc21 ZINC000479398614 894700452 /nfs/dbraw/zinc/70/04/52/894700452.db2.gz UWXUCILAKGPXTL-FQEVSTJZSA-N 1 2 419.485 4.351 20 5 HIBDLO COc1cccc(NC(=O)[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)c2ccccc2)c1 ZINC000479506348 894821733 /nfs/dbraw/zinc/82/17/33/894821733.db2.gz XRSDVVGJBVITFI-QFIPXVFZSA-N 1 2 405.454 4.381 20 5 HIBDLO COc1cc(C[NH2+][C@H](C)c2c(F)cccc2F)c([N+](=O)[O-])cc1OCC(F)F ZINC000505581420 914288899 /nfs/dbraw/zinc/28/88/99/914288899.db2.gz MRWABGNSWZCANT-SNVBAGLBSA-N 1 2 402.344 4.376 20 5 HIBDLO Cc1cc(C)c(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1Br ZINC000486597721 901735831 /nfs/dbraw/zinc/73/58/31/901735831.db2.gz DTIWLICALARTJO-UHFFFAOYSA-N 1 2 415.247 4.412 20 5 HIBDLO Cc1ccc([C@@H](C)NC(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)cc1[N+](=O)[O-] ZINC000487722302 902317221 /nfs/dbraw/zinc/31/72/21/902317221.db2.gz QUHNXSXJUFAEFW-DZGCQCFKSA-N 1 2 417.535 4.474 20 5 HIBDLO Cc1ccc([C@@H](C)NC(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)cc1[N+](=O)[O-] ZINC000487722302 902317228 /nfs/dbraw/zinc/31/72/28/902317228.db2.gz QUHNXSXJUFAEFW-DZGCQCFKSA-N 1 2 417.535 4.474 20 5 HIBDLO O=C(NCc1ccn2cc[nH+]c2c1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000488524628 902869288 /nfs/dbraw/zinc/86/92/88/902869288.db2.gz WONIKJGUMUSRFE-UHFFFAOYSA-N 1 2 404.451 4.324 20 5 HIBDLO COc1ccc(C[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)c(OC)c1OC ZINC000490162585 903802831 /nfs/dbraw/zinc/80/28/31/903802831.db2.gz ADMSYBVMVIKROH-NRFANRHFSA-N 1 2 408.454 4.500 20 5 HIBDLO COc1cc(Cl)c(C)cc1NC(=O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000490199695 903823214 /nfs/dbraw/zinc/82/32/14/903823214.db2.gz GYVUBCUDAPMQCJ-UHFFFAOYSA-N 1 2 403.866 4.168 20 5 HIBDLO COc1cc(Cl)c(C)cc1NC(=O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000490199695 903823216 /nfs/dbraw/zinc/82/32/16/903823216.db2.gz GYVUBCUDAPMQCJ-UHFFFAOYSA-N 1 2 403.866 4.168 20 5 HIBDLO C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000490590417 904121872 /nfs/dbraw/zinc/12/18/72/904121872.db2.gz VTLIJMUYMDKWOT-HTAPYJJXSA-N 1 2 419.485 4.127 20 5 HIBDLO CCc1ccc([C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])c2cccc(S(C)(=O)=O)c2)cc1 ZINC000493232794 905057851 /nfs/dbraw/zinc/05/78/51/905057851.db2.gz SMKIJQBMMSBQRI-HSZRJFAPSA-N 1 2 424.522 4.440 20 5 HIBDLO COc1cc(C[NH2+]Cc2ncoc2-c2ccccc2)c([N+](=O)[O-])cc1OCC(F)F ZINC000493694264 905195614 /nfs/dbraw/zinc/19/56/14/905195614.db2.gz YCIJCFWSULERLO-UHFFFAOYSA-N 1 2 419.384 4.192 20 5 HIBDLO COc1cc(CNc2ccc(N3CCCCC3)[nH+]c2)c([N+](=O)[O-])cc1OCC(F)F ZINC000494064980 905401996 /nfs/dbraw/zinc/40/19/96/905401996.db2.gz IQONJXNAMGNRGR-UHFFFAOYSA-N 1 2 422.432 4.245 20 5 HIBDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)NC(C)(C)c3ccccc3[N+](=O)[O-])n2)C1 ZINC000494445324 905729644 /nfs/dbraw/zinc/72/96/44/905729644.db2.gz QCSTURYSADMNQW-AWEZNQCLSA-N 1 2 417.535 4.340 20 5 HIBDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)NC(C)(C)c3ccccc3[N+](=O)[O-])n2)C1 ZINC000494445324 905729658 /nfs/dbraw/zinc/72/96/58/905729658.db2.gz QCSTURYSADMNQW-AWEZNQCLSA-N 1 2 417.535 4.340 20 5 HIBDLO O=[N+]([O-])c1ccc2sc(-c3nc([C@H]4C[N@H+](Cc5ccccc5)CCO4)no3)cc2c1 ZINC000500797590 910087601 /nfs/dbraw/zinc/08/76/01/910087601.db2.gz CIMICGXNGBTXOK-QGZVFWFLSA-N 1 2 422.466 4.433 20 5 HIBDLO O=[N+]([O-])c1ccc2sc(-c3nc([C@H]4C[N@@H+](Cc5ccccc5)CCO4)no3)cc2c1 ZINC000500797590 910087608 /nfs/dbraw/zinc/08/76/08/910087608.db2.gz CIMICGXNGBTXOK-QGZVFWFLSA-N 1 2 422.466 4.433 20 5 HIBDLO O=[N+]([O-])c1ccc2oc(C[NH2+][C@H]3CCOc4c(Br)cccc43)nc2c1 ZINC000501574313 910680705 /nfs/dbraw/zinc/68/07/05/910680705.db2.gz CQQKUORPXBMVQE-ZDUSSCGKSA-N 1 2 404.220 4.112 20 5 HIBDLO Cc1sc(C(=O)N2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)cc1[N+](=O)[O-] ZINC000502185575 911119419 /nfs/dbraw/zinc/11/94/19/911119419.db2.gz FDDFTTJIBQCJJE-UHFFFAOYSA-N 1 2 419.506 4.493 20 5 HIBDLO C[C@@H]1CCCN(c2ccc(C(=O)Nc3ccc(-c4[nH]cc[nH+]4)cc3)cc2[N+](=O)[O-])C1 ZINC000502568484 911575696 /nfs/dbraw/zinc/57/56/96/911575696.db2.gz IFXUASRNIROPCX-OAHLLOKOSA-N 1 2 405.458 4.474 20 5 HIBDLO O=[N+]([O-])c1ccccc1C[N@H+](Cc1cnc2ccc(Br)cn12)C1CC1 ZINC000507169276 915911420 /nfs/dbraw/zinc/91/14/20/915911420.db2.gz VQPQNFWDQCUPHM-UHFFFAOYSA-N 1 2 401.264 4.170 20 5 HIBDLO O=[N+]([O-])c1ccccc1C[N@@H+](Cc1cnc2ccc(Br)cn12)C1CC1 ZINC000507169276 915911424 /nfs/dbraw/zinc/91/14/24/915911424.db2.gz VQPQNFWDQCUPHM-UHFFFAOYSA-N 1 2 401.264 4.170 20 5 HIBDLO COc1cc(C[N@H+](C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)ccc1SC ZINC000507711158 916503480 /nfs/dbraw/zinc/50/34/80/916503480.db2.gz UHAFMIUOXYHWKG-UHFFFAOYSA-N 1 2 400.460 4.007 20 5 HIBDLO COc1cc(C[N@@H+](C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)ccc1SC ZINC000507711158 916503493 /nfs/dbraw/zinc/50/34/93/916503493.db2.gz UHAFMIUOXYHWKG-UHFFFAOYSA-N 1 2 400.460 4.007 20 5 HIBDLO Cc1ncc(CN2CC[NH+](Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)s1 ZINC000513707477 922027712 /nfs/dbraw/zinc/02/77/12/922027712.db2.gz DHENTFDCKXYNPJ-UHFFFAOYSA-N 1 2 414.556 4.406 20 5 HIBDLO Cn1ccnc1[C@H]([NH2+]CCOc1ccc(C(C)(C)C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000513708765 922029783 /nfs/dbraw/zinc/02/97/83/922029783.db2.gz WZVNASKAYPMCNE-OAQYLSRUSA-N 1 2 408.502 4.384 20 5 HIBDLO O=C(c1ccc([N+](=O)[O-])cc1)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl ZINC000522015504 929618591 /nfs/dbraw/zinc/61/85/91/929618591.db2.gz OJDTUUHGYSQCEN-UHFFFAOYSA-N 1 2 416.840 4.317 20 5 HIBDLO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000524553410 929682644 /nfs/dbraw/zinc/68/26/44/929682644.db2.gz LOVSAROXQDQSKK-HZPDHXFCSA-N 1 2 415.515 4.107 20 5 HIBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(Oc2ccccc2Cl)CC1 ZINC000532827499 931643574 /nfs/dbraw/zinc/64/35/74/931643574.db2.gz BPCSKHNLLDOALR-CQSZACIVSA-N 1 2 403.866 4.119 20 5 HIBDLO COc1cc(CNc2ccc(N(C)C)[nH+]c2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000533309137 931834923 /nfs/dbraw/zinc/83/49/23/931834923.db2.gz ZXXSTGUACRHBKD-UHFFFAOYSA-N 1 2 408.458 4.256 20 5 HIBDLO COc1ccc(NC(=O)C[N@H+]2CC=C(c3c[nH]c4cc(C)ccc43)CC2)c([N+](=O)[O-])c1 ZINC000533351185 931846224 /nfs/dbraw/zinc/84/62/24/931846224.db2.gz GDFZGPAKAMZANX-UHFFFAOYSA-N 1 2 420.469 4.121 20 5 HIBDLO COc1ccc(NC(=O)C[N@@H+]2CC=C(c3c[nH]c4cc(C)ccc43)CC2)c([N+](=O)[O-])c1 ZINC000533351185 931846225 /nfs/dbraw/zinc/84/62/25/931846225.db2.gz GDFZGPAKAMZANX-UHFFFAOYSA-N 1 2 420.469 4.121 20 5 HIBDLO C[N@@H+]1CC[C@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000533680997 931967228 /nfs/dbraw/zinc/96/72/28/931967228.db2.gz JKEXEHJELWPIQB-DOTOQJQBSA-N 1 2 412.248 4.216 20 5 HIBDLO C[N@H+]1CC[C@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000533680997 931967231 /nfs/dbraw/zinc/96/72/31/931967231.db2.gz JKEXEHJELWPIQB-DOTOQJQBSA-N 1 2 412.248 4.216 20 5 HIBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@@H](C)c1sc(C(C)C)nc1C ZINC000535970250 933532551 /nfs/dbraw/zinc/53/25/51/933532551.db2.gz URLNGJFBIWNNDU-ZDUSSCGKSA-N 1 2 406.508 4.123 20 5 HIBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@@H](C)c1sc(C(C)C)nc1C ZINC000535970250 933532557 /nfs/dbraw/zinc/53/25/57/933532557.db2.gz URLNGJFBIWNNDU-ZDUSSCGKSA-N 1 2 406.508 4.123 20 5 HIBDLO CC[N@@H+]1CC[C@@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538053499 938486932 /nfs/dbraw/zinc/48/69/32/938486932.db2.gz SECPBUVUHVJNEK-RTBURBONSA-N 1 2 420.872 4.022 20 5 HIBDLO CC[N@H+]1CC[C@@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538053499 938486933 /nfs/dbraw/zinc/48/69/33/938486933.db2.gz SECPBUVUHVJNEK-RTBURBONSA-N 1 2 420.872 4.022 20 5 HIBDLO CC[N@@H+]1CC[C@H](NC(=O)NCc2ccccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000538054333 938487274 /nfs/dbraw/zinc/48/72/74/938487274.db2.gz QTBIVAZRDKBPSX-PKOBYXMFSA-N 1 2 420.872 4.022 20 5 HIBDLO CC[N@H+]1CC[C@H](NC(=O)NCc2ccccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000538054333 938487277 /nfs/dbraw/zinc/48/72/77/938487277.db2.gz QTBIVAZRDKBPSX-PKOBYXMFSA-N 1 2 420.872 4.022 20 5 HIBDLO C[C@@H]([NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(OCC(F)(F)F)cc1 ZINC000538164112 938531641 /nfs/dbraw/zinc/53/16/41/938531641.db2.gz USNZQWJNLIDPMK-GFCCVEGCSA-N 1 2 422.363 4.437 20 5 HIBDLO C[C@@H]([NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(OCC2CC2)c(F)c1 ZINC000538224461 938564459 /nfs/dbraw/zinc/56/44/59/938564459.db2.gz CYMAOSSGDMCRJZ-CYBMUJFWSA-N 1 2 412.421 4.424 20 5 HIBDLO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000538573761 938653069 /nfs/dbraw/zinc/65/30/69/938653069.db2.gz MCLRZVXIJLVKED-MAUKXSAKSA-N 1 2 402.520 4.407 20 5 HIBDLO O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000539536153 938875247 /nfs/dbraw/zinc/87/52/47/938875247.db2.gz VBKZHQUUPHQSFN-GOSISDBHSA-N 1 2 407.430 4.280 20 5 HIBDLO Cc1ccc([C@H](C)[NH2+]Cc2nnc3c(Cl)cc(C(F)(F)F)cn23)cc1[N+](=O)[O-] ZINC000540167274 939099459 /nfs/dbraw/zinc/09/94/59/939099459.db2.gz AAWKLLPSIBEJTM-JTQLQIEISA-N 1 2 413.787 4.469 20 5 HIBDLO CC[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540228654 939147730 /nfs/dbraw/zinc/14/77/30/939147730.db2.gz QJNQYPJKZVDEMF-QZTJIDSGSA-N 1 2 409.820 4.092 20 5 HIBDLO CC[N@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540228654 939147736 /nfs/dbraw/zinc/14/77/36/939147736.db2.gz QJNQYPJKZVDEMF-QZTJIDSGSA-N 1 2 409.820 4.092 20 5 HIBDLO COc1cc([C@H](C)[NH2+]Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)ccc1OC(C)C ZINC000540352768 939204319 /nfs/dbraw/zinc/20/43/19/939204319.db2.gz RLXQEAXBTGPWCB-AWEZNQCLSA-N 1 2 412.446 4.291 20 5 HIBDLO COc1cc(Br)c(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)cc1OC ZINC000541540888 939547803 /nfs/dbraw/zinc/54/78/03/939547803.db2.gz UMFNCYPQRIJZNZ-UHFFFAOYSA-N 1 2 415.671 4.318 20 5 HIBDLO C[C@H](C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000541613478 939570687 /nfs/dbraw/zinc/57/06/87/939570687.db2.gz QLYFPEGOLVBXLI-XHSDSOJGSA-N 1 2 415.465 4.085 20 5 HIBDLO C[C@H](C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000541613478 939570692 /nfs/dbraw/zinc/57/06/92/939570692.db2.gz QLYFPEGOLVBXLI-XHSDSOJGSA-N 1 2 415.465 4.085 20 5 HIBDLO CC(C)COC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccco1 ZINC000541626010 939574520 /nfs/dbraw/zinc/57/45/20/939574520.db2.gz CNBNGXOKLRIIFL-GUYCJALGSA-N 1 2 409.870 4.172 20 5 HIBDLO CC(C)(C)Oc1c(F)cc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1F ZINC000542069683 939702440 /nfs/dbraw/zinc/70/24/40/939702440.db2.gz OEEHSBBFVLVFHE-UHFFFAOYSA-N 1 2 416.384 4.488 20 5 HIBDLO COc1cc(C[NH2+]C(C)(C)c2ncc(C)s2)c([N+](=O)[O-])cc1OCC(F)F ZINC000542580780 939845911 /nfs/dbraw/zinc/84/59/11/939845911.db2.gz VXNHRGKZRSJRLR-UHFFFAOYSA-N 1 2 401.435 4.037 20 5 HIBDLO C[C@H]1CO[C@H](c2noc(/C=C/c3cccc([N+](=O)[O-])c3)n2)C[N@@H+]1Cc1ccccc1 ZINC000563757699 945287957 /nfs/dbraw/zinc/28/79/57/945287957.db2.gz NFXHZJJIHPTIQF-LHZNOMQLSA-N 1 2 406.442 4.110 20 5 HIBDLO C[C@H]1CO[C@H](c2noc(/C=C/c3cccc([N+](=O)[O-])c3)n2)C[N@H+]1Cc1ccccc1 ZINC000563757699 945287978 /nfs/dbraw/zinc/28/79/78/945287978.db2.gz NFXHZJJIHPTIQF-LHZNOMQLSA-N 1 2 406.442 4.110 20 5 HIBDLO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1nccs1 ZINC000543453131 940067782 /nfs/dbraw/zinc/06/77/82/940067782.db2.gz FBGVPTASZNRVQD-FZMZJTMJSA-N 1 2 417.516 4.243 20 5 HIBDLO Cc1cnc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)s1 ZINC000543547982 940104115 /nfs/dbraw/zinc/10/41/15/940104115.db2.gz SFJSNWBRSYQVST-NWDGAFQWSA-N 1 2 417.516 4.161 20 5 HIBDLO C[C@H](C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1)c1ccc([N+](=O)[O-])cc1F ZINC000543579864 940117963 /nfs/dbraw/zinc/11/79/63/940117963.db2.gz FSQUZAJKXPPUAT-BKOMCJNNSA-N 1 2 423.847 4.192 20 5 HIBDLO C[C@H](C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1)c1ccc([N+](=O)[O-])cc1F ZINC000543579864 940117969 /nfs/dbraw/zinc/11/79/69/940117969.db2.gz FSQUZAJKXPPUAT-BKOMCJNNSA-N 1 2 423.847 4.192 20 5 HIBDLO CCOc1ccc(NC(=O)C[NH2+][C@@H](C)c2nc(C(C)(C)C)cs2)c([N+](=O)[O-])c1 ZINC000544485950 940452736 /nfs/dbraw/zinc/45/27/36/940452736.db2.gz DDZLEYJTHCUJLJ-LBPRGKRZSA-N 1 2 406.508 4.037 20 5 HIBDLO COCCn1cc2c(n1)[C@@H]([NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)CCC2 ZINC000544896094 940522802 /nfs/dbraw/zinc/52/28/02/940522802.db2.gz HOHVSUBPTANAMX-VXKWHMMOSA-N 1 2 406.486 4.194 20 5 HIBDLO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+]2CCOCC3(CCC3)C2)c([N+](=O)[O-])c1 ZINC000545397688 940568254 /nfs/dbraw/zinc/56/82/54/940568254.db2.gz SYIWNXOHVPZOOG-OAQYLSRUSA-N 1 2 409.486 4.086 20 5 HIBDLO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+]2CCOCC3(CCC3)C2)c([N+](=O)[O-])c1 ZINC000545397688 940568256 /nfs/dbraw/zinc/56/82/56/940568256.db2.gz SYIWNXOHVPZOOG-OAQYLSRUSA-N 1 2 409.486 4.086 20 5 HIBDLO CCc1ccc([C@@H]([NH2+]Cc2cccc(N3CCOCC3)c2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000551238682 941433455 /nfs/dbraw/zinc/43/34/55/941433455.db2.gz ARJCNUYXDWXJBB-DEOSSOPVSA-N 1 2 421.497 4.466 20 5 HIBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCc2ccccc2[C@@H]1c1ccccc1 ZINC000555659361 942692818 /nfs/dbraw/zinc/69/28/18/942692818.db2.gz LDFMMIZBZDVWKT-DEOSSOPVSA-N 1 2 417.465 4.190 20 5 HIBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCc2ccccc2[C@@H]1c1ccccc1 ZINC000555659361 942692840 /nfs/dbraw/zinc/69/28/40/942692840.db2.gz LDFMMIZBZDVWKT-DEOSSOPVSA-N 1 2 417.465 4.190 20 5 HIBDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000558935319 943756412 /nfs/dbraw/zinc/75/64/12/943756412.db2.gz PPXLPPQDPKMSAN-JOCHJYFZSA-N 1 2 421.501 4.034 20 5 HIBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000560517538 944240628 /nfs/dbraw/zinc/24/06/28/944240628.db2.gz WZCDXPABRSKQMT-JYJNAYRXSA-N 1 2 400.504 4.010 20 5 HIBDLO CO[C@@H](C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000560528434 944242971 /nfs/dbraw/zinc/24/29/71/944242971.db2.gz FXNJZOSAIHZPFD-OALUTQOASA-N 1 2 400.866 4.048 20 5 HIBDLO COc1ccc([C@H](C)[NH2+][C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c(C)c1OC ZINC000561930430 944862774 /nfs/dbraw/zinc/86/27/74/944862774.db2.gz TWLYEYUXBWVUDZ-KBPBESRZSA-N 1 2 412.446 4.382 20 5 HIBDLO COc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(c3cccc(F)c3F)CC2)c([N+](=O)[O-])c1 ZINC000568942779 946775506 /nfs/dbraw/zinc/77/55/06/946775506.db2.gz VHKCKGUIGLLBGF-CYBMUJFWSA-N 1 2 419.428 4.088 20 5 HIBDLO CCc1nc([C@@H](C)[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)cs1 ZINC000571190906 947539777 /nfs/dbraw/zinc/53/97/77/947539777.db2.gz FICAJPNLWCYMAK-SECBINFHSA-N 1 2 417.272 4.069 20 5 HIBDLO O=C(Nc1ccccc1)C1CC[NH+](Cn2c3cc([N+](=O)[O-])ccc3oc2=S)CC1 ZINC000007317771 845311547 /nfs/dbraw/zinc/31/15/47/845311547.db2.gz UWTKQDJWBCQIFU-UHFFFAOYSA-N 1 2 412.471 4.180 20 5 HIBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCC(C(=O)c2ccccc2)CC1 ZINC000014321363 845937083 /nfs/dbraw/zinc/93/70/83/845937083.db2.gz QRZRAAGBNMVUBL-HNNXBMFYSA-N 1 2 406.442 4.301 20 5 HIBDLO Cc1cc(C(=O)Nc2nc3c(s2)C[N@H+](Cc2ccccc2)CC3)ccc1[N+](=O)[O-] ZINC000016003238 846110955 /nfs/dbraw/zinc/11/09/55/846110955.db2.gz GSQKZXAHBJVSST-UHFFFAOYSA-N 1 2 408.483 4.170 20 5 HIBDLO Cc1cc(C(=O)Nc2nc3c(s2)C[N@@H+](Cc2ccccc2)CC3)ccc1[N+](=O)[O-] ZINC000016003238 846110960 /nfs/dbraw/zinc/11/09/60/846110960.db2.gz GSQKZXAHBJVSST-UHFFFAOYSA-N 1 2 408.483 4.170 20 5 HIBDLO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000022289648 846554346 /nfs/dbraw/zinc/55/43/46/846554346.db2.gz SMNDFWBIDJUONC-CYBMUJFWSA-N 1 2 406.533 4.157 20 5 HIBDLO Cc1c(NC(=O)[C@@H](C)[N@H+](C)Cc2ccccc2OC(F)(F)F)cccc1[N+](=O)[O-] ZINC000025255654 846949287 /nfs/dbraw/zinc/94/92/87/846949287.db2.gz BWPVSHGVPUXRLZ-CYBMUJFWSA-N 1 2 411.380 4.261 20 5 HIBDLO Cc1c(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccccc2OC(F)(F)F)cccc1[N+](=O)[O-] ZINC000025255654 846949298 /nfs/dbraw/zinc/94/92/98/846949298.db2.gz BWPVSHGVPUXRLZ-CYBMUJFWSA-N 1 2 411.380 4.261 20 5 HIBDLO Cc1ccc(C(=O)C2CC[NH+](Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)c(C)c1 ZINC000026639844 847178921 /nfs/dbraw/zinc/17/89/21/847178921.db2.gz SEEXZGZDIBFJCU-UHFFFAOYSA-N 1 2 420.469 4.357 20 5 HIBDLO Cc1ccc(C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000028415928 847417861 /nfs/dbraw/zinc/41/78/61/847417861.db2.gz PQDPJKYILLJIJN-GOSISDBHSA-N 1 2 405.857 4.263 20 5 HIBDLO O=C(NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)Nc1cccc([N+](=O)[O-])c1 ZINC000031092531 847821966 /nfs/dbraw/zinc/82/19/66/847821966.db2.gz QJBQPRZVUIQLGW-QGZVFWFLSA-N 1 2 406.845 4.346 20 5 HIBDLO Cc1ccc(-c2csc(NC(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)n2)cc1 ZINC000033227525 848128600 /nfs/dbraw/zinc/12/86/00/848128600.db2.gz MVEXARGCXHAHBT-UHFFFAOYSA-N 1 2 405.439 4.465 20 5 HIBDLO C[N@@H+]1CCc2nc(NC(=O)c3cc([N+](=O)[O-])ccc3Oc3ccccc3)sc2C1 ZINC000044904541 848613796 /nfs/dbraw/zinc/61/37/96/848613796.db2.gz CMCOBSJSEMXXBK-UHFFFAOYSA-N 1 2 410.455 4.084 20 5 HIBDLO C[N@H+]1CCc2nc(NC(=O)c3cc([N+](=O)[O-])ccc3Oc3ccccc3)sc2C1 ZINC000044904541 848613802 /nfs/dbraw/zinc/61/38/02/848613802.db2.gz CMCOBSJSEMXXBK-UHFFFAOYSA-N 1 2 410.455 4.084 20 5 HIBDLO O=[N+]([O-])c1cc(CSc2nnc(C[NH+]3CCCC3)n2Cc2ccccc2)cs1 ZINC000054427469 849864965 /nfs/dbraw/zinc/86/49/65/849864965.db2.gz XDKMSBFXOLUKHS-UHFFFAOYSA-N 1 2 415.544 4.184 20 5 HIBDLO O=C(NC1c2ccccc2Oc2ccccc21)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000111076238 853197875 /nfs/dbraw/zinc/19/78/75/853197875.db2.gz YKIGMIBMHVLZTR-UHFFFAOYSA-N 1 2 412.405 4.406 20 5 HIBDLO O=C(Nc1cc(C2CC2)nn1-c1ccccc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000115380456 853250820 /nfs/dbraw/zinc/25/08/20/853250820.db2.gz DUVHGJLXJCLLGB-UHFFFAOYSA-N 1 2 414.425 4.096 20 5 HIBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000237203629 853980744 /nfs/dbraw/zinc/98/07/44/853980744.db2.gz SLKQHXRBVRUCSI-UHFFFAOYSA-N 1 2 417.263 4.046 20 5 HIBDLO COc1cc(C[NH2+]Cc2cn3ccccc3n2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000237294080 854000676 /nfs/dbraw/zinc/00/06/76/854000676.db2.gz ZIBRDKRWRGKFEW-UHFFFAOYSA-N 1 2 418.453 4.120 20 5 HIBDLO O=[N+]([O-])c1cc(CNc2ccc(N3CCOCC3)c[nH+]2)ccc1Oc1ccc(F)cc1 ZINC000237885017 854114842 /nfs/dbraw/zinc/11/48/42/854114842.db2.gz SEQCPNCSZGLECW-UHFFFAOYSA-N 1 2 424.432 4.370 20 5 HIBDLO NC(=O)C1CC[NH+](c2ccc(Nc3ccc([N+](=O)[O-])c(-c4ccccc4)n3)cc2)CC1 ZINC000301858503 854477479 /nfs/dbraw/zinc/47/74/79/854477479.db2.gz JMCRTYYPECFQSK-UHFFFAOYSA-N 1 2 417.469 4.102 20 5 HIBDLO C[N@@H+]1CCO[C@@H]([C@@H](Nc2ccc([N+](=O)[O-])c3cccnc23)c2ccc(Cl)cc2)C1 ZINC000301976502 854507846 /nfs/dbraw/zinc/50/78/46/854507846.db2.gz MMMHMJDCECDNSK-UXHICEINSA-N 1 2 412.877 4.280 20 5 HIBDLO C[N@H+]1CCO[C@@H]([C@@H](Nc2ccc([N+](=O)[O-])c3cccnc23)c2ccc(Cl)cc2)C1 ZINC000301976502 854507850 /nfs/dbraw/zinc/50/78/50/854507850.db2.gz MMMHMJDCECDNSK-UXHICEINSA-N 1 2 412.877 4.280 20 5 HIBDLO COc1ccccc1C1(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCCC1 ZINC000302943727 854690875 /nfs/dbraw/zinc/69/08/75/854690875.db2.gz CDCGKWDENZURFJ-UHFFFAOYSA-N 1 2 420.469 4.031 20 5 HIBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000303428029 854928914 /nfs/dbraw/zinc/92/89/14/854928914.db2.gz BFJRPNNKPBAIDG-MRXNPFEDSA-N 1 2 420.872 4.482 20 5 HIBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000303428029 854928920 /nfs/dbraw/zinc/92/89/20/854928920.db2.gz BFJRPNNKPBAIDG-MRXNPFEDSA-N 1 2 420.872 4.482 20 5 HIBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410264817 855889447 /nfs/dbraw/zinc/88/94/47/855889447.db2.gz KVVASWJGJGZDGI-HNNXBMFYSA-N 1 2 414.531 4.259 20 5 HIBDLO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410267724 855892036 /nfs/dbraw/zinc/89/20/36/855892036.db2.gz SAANCTMFEAEMIS-HZPDHXFCSA-N 1 2 414.531 4.014 20 5 HIBDLO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CCC[C@H](Oc4ncccc4F)C3)cs2)c1 ZINC000425974038 856024832 /nfs/dbraw/zinc/02/48/32/856024832.db2.gz BSPMPEPIDMZHAC-KRWDZBQOSA-N 1 2 414.462 4.296 20 5 HIBDLO O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3CCC[C@H](Oc4ncccc4F)C3)cs2)c1 ZINC000425974038 856024845 /nfs/dbraw/zinc/02/48/45/856024845.db2.gz BSPMPEPIDMZHAC-KRWDZBQOSA-N 1 2 414.462 4.296 20 5 HIBDLO C[C@@]1(CCc2ccccc2)CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000434250280 860229733 /nfs/dbraw/zinc/22/97/33/860229733.db2.gz QOVGWSWDUOAIME-HSZRJFAPSA-N 1 2 404.470 4.266 20 5 HIBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(F)(c2cccc(Cl)c2)CC1 ZINC000439325832 864761862 /nfs/dbraw/zinc/76/18/62/864761862.db2.gz PPFPVWLFZBVZFZ-UHFFFAOYSA-N 1 2 421.856 4.156 20 5 HIBDLO COc1ccc(OCC[NH+](Cc2cccc(C)n2)Cc2cccc(C)n2)c([N+](=O)[O-])c1 ZINC000440963208 866050770 /nfs/dbraw/zinc/05/07/70/866050770.db2.gz WWAFACRVBZVRCU-UHFFFAOYSA-N 1 2 422.485 4.091 20 5 HIBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCC[C@@H](Oc4ccccc4Cl)C3)o2)cc1 ZINC000443636664 868217756 /nfs/dbraw/zinc/21/77/56/868217756.db2.gz CLFFDXFOQZEEKU-MRXNPFEDSA-N 1 2 414.849 4.342 20 5 HIBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCC[C@@H](Oc4ccccc4Cl)C3)o2)cc1 ZINC000443636664 868217785 /nfs/dbraw/zinc/21/77/85/868217785.db2.gz CLFFDXFOQZEEKU-MRXNPFEDSA-N 1 2 414.849 4.342 20 5 HIBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000443954108 868489418 /nfs/dbraw/zinc/48/94/18/868489418.db2.gz AGGYQUCWHQYFKM-OAHLLOKOSA-N 1 2 418.444 4.276 20 5 HIBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000443954108 868489433 /nfs/dbraw/zinc/48/94/33/868489433.db2.gz AGGYQUCWHQYFKM-OAHLLOKOSA-N 1 2 418.444 4.276 20 5 HIBDLO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444010868 868534610 /nfs/dbraw/zinc/53/46/10/868534610.db2.gz OFZPQLBNGWPOPI-GOSISDBHSA-N 1 2 411.505 4.028 20 5 HIBDLO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444010868 868534627 /nfs/dbraw/zinc/53/46/27/868534627.db2.gz OFZPQLBNGWPOPI-GOSISDBHSA-N 1 2 411.505 4.028 20 5 HIBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000448026748 871866336 /nfs/dbraw/zinc/86/63/36/871866336.db2.gz JQHUCOOIOQMGGX-VLIAUNLRSA-N 1 2 416.909 4.478 20 5 HIBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000448026748 871866338 /nfs/dbraw/zinc/86/63/38/871866338.db2.gz JQHUCOOIOQMGGX-VLIAUNLRSA-N 1 2 416.909 4.478 20 5 HIBDLO C[C@@H]1OCC[C@]12C[N@H+](Cc1ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c1)C[C@@H](C)O2 ZINC000448369801 872321180 /nfs/dbraw/zinc/32/11/80/872321180.db2.gz CAYIIHRVEJIRMQ-VVBPWWLESA-N 1 2 416.449 4.295 20 5 HIBDLO C[C@@H]1OCC[C@]12C[N@@H+](Cc1ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c1)C[C@@H](C)O2 ZINC000448369801 872321199 /nfs/dbraw/zinc/32/11/99/872321199.db2.gz CAYIIHRVEJIRMQ-VVBPWWLESA-N 1 2 416.449 4.295 20 5 HIBDLO Cc1ccc([C@@H](C)NC(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)cc1[N+](=O)[O-] ZINC000462204180 875313872 /nfs/dbraw/zinc/31/38/72/875313872.db2.gz UHAXTSITLHECKM-CVEARBPZSA-N 1 2 402.520 4.114 20 5 HIBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cccc2c1C[N@H+]([C@@H](C)C(C)C)C2 ZINC000462378145 875489101 /nfs/dbraw/zinc/48/91/01/875489101.db2.gz DGOOEPGGMSZMQD-HNNXBMFYSA-N 1 2 403.504 4.064 20 5 HIBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cccc2c1C[N@@H+]([C@@H](C)C(C)C)C2 ZINC000462378145 875489113 /nfs/dbraw/zinc/48/91/13/875489113.db2.gz DGOOEPGGMSZMQD-HNNXBMFYSA-N 1 2 403.504 4.064 20 5 HIBDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000463033742 876054812 /nfs/dbraw/zinc/05/48/12/876054812.db2.gz LRONGQUCHTUTER-GFCCVEGCSA-N 1 2 413.421 4.194 20 5 HIBDLO O=C(NCCc1ccc([N+](=O)[O-])cc1)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000463691194 876811887 /nfs/dbraw/zinc/81/18/87/876811887.db2.gz PUPXLVXFDUHIIF-UHFFFAOYSA-N 1 2 405.458 4.159 20 5 HIBDLO COc1ccc(CNC(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)cc1[N+](=O)[O-] ZINC000463712200 876832005 /nfs/dbraw/zinc/83/20/05/876832005.db2.gz NXEHMIQGTLHOFQ-UHFFFAOYSA-N 1 2 421.457 4.125 20 5 HIBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000463947955 877069460 /nfs/dbraw/zinc/06/94/60/877069460.db2.gz FIEBBTZBBLPZBO-PZJWPPBQSA-N 1 2 405.458 4.458 20 5 HIBDLO Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464770533 878013732 /nfs/dbraw/zinc/01/37/32/878013732.db2.gz BTENDNTXDKXZQW-OAHLLOKOSA-N 1 2 417.893 4.427 20 5 HIBDLO CSc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464781634 878028740 /nfs/dbraw/zinc/02/87/40/878028740.db2.gz UECPUPIOPMOOCF-HNNXBMFYSA-N 1 2 415.515 4.187 20 5 HIBDLO COc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)c(Br)c1O ZINC000466465991 880248250 /nfs/dbraw/zinc/24/82/50/880248250.db2.gz XXQSCOMQZAPWCD-UHFFFAOYSA-N 1 2 401.644 4.015 20 5 HIBDLO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000504069541 912970730 /nfs/dbraw/zinc/97/07/30/912970730.db2.gz HQRQFGCEFANIMH-UHFFFAOYSA-N 1 2 414.531 4.412 20 5 HIBDLO Cc1ccc(NC(=O)c2ccc(NCc3ccn4cc[nH+]c4c3)c([N+](=O)[O-])c2)cc1 ZINC000474780319 889638878 /nfs/dbraw/zinc/63/88/78/889638878.db2.gz KSMSVDSPDPVORE-UHFFFAOYSA-N 1 2 401.426 4.415 20 5 HIBDLO O=C1CCC[C@@H]1[C@@H]1COCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000475126468 889987602 /nfs/dbraw/zinc/98/76/02/889987602.db2.gz AXAXJZAPNPYZHE-AEFFLSMTSA-N 1 2 404.850 4.078 20 5 HIBDLO O=C1CCC[C@@H]1[C@@H]1COCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000475126468 889987619 /nfs/dbraw/zinc/98/76/19/889987619.db2.gz AXAXJZAPNPYZHE-AEFFLSMTSA-N 1 2 404.850 4.078 20 5 HIBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N(Cc2ccccc2)c2cc[nH+]cc2)c(Cl)c1 ZINC000475402806 890330128 /nfs/dbraw/zinc/33/01/28/890330128.db2.gz FYZFWFRKVXQEET-UHFFFAOYSA-N 1 2 403.847 4.039 20 5 HIBDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000475546634 890471116 /nfs/dbraw/zinc/47/11/16/890471116.db2.gz HHQKJSPJVUJPDW-UHFFFAOYSA-N 1 2 411.506 4.377 20 5 HIBDLO CC[C@H]1C[N@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C[C@]2(CCOC2)O1 ZINC000475616749 890548348 /nfs/dbraw/zinc/54/83/48/890548348.db2.gz HMUFDXBOYHTKCB-AVRDEDQJSA-N 1 2 416.449 4.296 20 5 HIBDLO CC[C@H]1C[N@@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C[C@]2(CCOC2)O1 ZINC000475616749 890548356 /nfs/dbraw/zinc/54/83/56/890548356.db2.gz HMUFDXBOYHTKCB-AVRDEDQJSA-N 1 2 416.449 4.296 20 5 HIBDLO C[C@@H]1C[N@H+](Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C[C@]2(CCOC2)O1 ZINC000475630714 890571149 /nfs/dbraw/zinc/57/11/49/890571149.db2.gz IKTKQWVNALMKRJ-VFNWGFHPSA-N 1 2 418.877 4.420 20 5 HIBDLO C[C@@H]1C[N@@H+](Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C[C@]2(CCOC2)O1 ZINC000475630714 890571162 /nfs/dbraw/zinc/57/11/62/890571162.db2.gz IKTKQWVNALMKRJ-VFNWGFHPSA-N 1 2 418.877 4.420 20 5 HIBDLO CCOC[C@H]1CC[N@@H+]([C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C1 ZINC000478047081 893190268 /nfs/dbraw/zinc/19/02/68/893190268.db2.gz LRMDFIBIQOCLNO-YWZLYKJASA-N 1 2 417.893 4.286 20 5 HIBDLO CCOC[C@H]1CC[N@H+]([C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C1 ZINC000478047081 893190281 /nfs/dbraw/zinc/19/02/81/893190281.db2.gz LRMDFIBIQOCLNO-YWZLYKJASA-N 1 2 417.893 4.286 20 5 HIBDLO COc1cccc(NC(=O)[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)c2ccccc2)c1 ZINC000479506345 894821703 /nfs/dbraw/zinc/82/17/03/894821703.db2.gz XRSDVVGJBVITFI-JOCHJYFZSA-N 1 2 405.454 4.381 20 5 HIBDLO COc1cc(C[N@H+](C)Cc2cccc(F)c2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000505577490 914282227 /nfs/dbraw/zinc/28/22/27/914282227.db2.gz WWYTUJBINZFOCA-UHFFFAOYSA-N 1 2 402.344 4.316 20 5 HIBDLO COc1cc(C[N@@H+](C)Cc2cccc(F)c2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000505577490 914282241 /nfs/dbraw/zinc/28/22/41/914282241.db2.gz WWYTUJBINZFOCA-UHFFFAOYSA-N 1 2 402.344 4.316 20 5 HIBDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C1 ZINC000483254730 898896013 /nfs/dbraw/zinc/89/60/13/898896013.db2.gz HUIYTQAHTYMXIS-QGZVFWFLSA-N 1 2 420.469 4.216 20 5 HIBDLO CCOC(=O)c1csc([C@@H]2CCC[N@@H+]2C/C(C)=C/c2cccc([N+](=O)[O-])c2)n1 ZINC000483400077 899033584 /nfs/dbraw/zinc/03/35/84/899033584.db2.gz CNNZFXMPYSPOGA-MDNBWPLSSA-N 1 2 401.488 4.468 20 5 HIBDLO CCOC(=O)c1csc([C@@H]2CCC[N@H+]2C/C(C)=C/c2cccc([N+](=O)[O-])c2)n1 ZINC000483400077 899033601 /nfs/dbraw/zinc/03/36/01/899033601.db2.gz CNNZFXMPYSPOGA-MDNBWPLSSA-N 1 2 401.488 4.468 20 5 HIBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000485879351 901115775 /nfs/dbraw/zinc/11/57/75/901115775.db2.gz DXUDNRIYRYOLDN-GFCCVEGCSA-N 1 2 402.520 4.461 20 5 HIBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000485879351 901115788 /nfs/dbraw/zinc/11/57/88/901115788.db2.gz DXUDNRIYRYOLDN-GFCCVEGCSA-N 1 2 402.520 4.461 20 5 HIBDLO CSc1cccc(C(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)c1[N+](=O)[O-] ZINC000486120623 901308002 /nfs/dbraw/zinc/30/80/02/901308002.db2.gz YKGQFZNASQPXJA-UHFFFAOYSA-N 1 2 406.533 4.257 20 5 HIBDLO CC[C@H](NC(=O)Nc1nc(C[NH+]2CCCCC2)cs1)c1cccc([N+](=O)[O-])c1 ZINC000487751023 902340497 /nfs/dbraw/zinc/34/04/97/902340497.db2.gz PHBKFJRIWWRVEI-KRWDZBQOSA-N 1 2 403.508 4.310 20 5 HIBDLO O=C(C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)N(Cc1ccco1)c1ccccc1 ZINC000490050639 903744034 /nfs/dbraw/zinc/74/40/34/903744034.db2.gz QVEBDUMSFJFHJL-UHFFFAOYSA-N 1 2 405.454 4.386 20 5 HIBDLO O=C(C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)N(Cc1ccco1)c1ccccc1 ZINC000490050639 903744045 /nfs/dbraw/zinc/74/40/45/903744045.db2.gz QVEBDUMSFJFHJL-UHFFFAOYSA-N 1 2 405.454 4.386 20 5 HIBDLO O=C(Nc1ccc(F)cc1)NC1CC[NH+](Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000493251877 905070681 /nfs/dbraw/zinc/07/06/81/905070681.db2.gz HBYSQGDRNLMQOR-UHFFFAOYSA-N 1 2 406.845 4.173 20 5 HIBDLO Cc1ccc([C@H](C)NC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000494457231 905739767 /nfs/dbraw/zinc/73/97/67/905739767.db2.gz ZAVOCSJIGGDJJA-XUEUYAKLSA-N 1 2 419.485 4.389 20 5 HIBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN([C@@H](C)c2nc(-c3cccs3)no2)CC1 ZINC000497376643 906864262 /nfs/dbraw/zinc/86/42/62/906864262.db2.gz MOFDRLPWXLYGRW-CABCVRRESA-N 1 2 413.503 4.146 20 5 HIBDLO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc(Br)cc1F ZINC000513095303 921544182 /nfs/dbraw/zinc/54/41/82/921544182.db2.gz MZXGSGJGVZHJIJ-JTQLQIEISA-N 1 2 411.227 4.214 20 5 HIBDLO COc1ccccc1COC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000500776091 910073637 /nfs/dbraw/zinc/07/36/37/910073637.db2.gz XJXNTPYHAZWMGA-UHFFFAOYSA-N 1 2 422.428 4.386 20 5 HIBDLO COC(=O)C(C)(C)[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000513121910 921567555 /nfs/dbraw/zinc/56/75/55/921567555.db2.gz KJTPHPPWSZCWSA-UHFFFAOYSA-N 1 2 411.252 4.001 20 5 HIBDLO COC(=O)C(C)(C)[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000513121910 921567572 /nfs/dbraw/zinc/56/75/72/921567572.db2.gz KJTPHPPWSZCWSA-UHFFFAOYSA-N 1 2 411.252 4.001 20 5 HIBDLO COc1cc(S(=O)(=O)Nc2ccc([NH+]3CCCCCC3)cc2C)ccc1[N+](=O)[O-] ZINC000508119068 916935979 /nfs/dbraw/zinc/93/59/79/916935979.db2.gz QKXIKEWOSWCCEC-UHFFFAOYSA-N 1 2 419.503 4.093 20 5 HIBDLO COc1cc(C[N@H+](C)Cc2cc(Br)cs2)c([N+](=O)[O-])cc1OC ZINC000509399229 918065113 /nfs/dbraw/zinc/06/51/13/918065113.db2.gz AXFZRXHKVNNDKG-UHFFFAOYSA-N 1 2 401.282 4.068 20 5 HIBDLO COc1cc(C[N@@H+](C)Cc2cc(Br)cs2)c([N+](=O)[O-])cc1OC ZINC000509399229 918065128 /nfs/dbraw/zinc/06/51/28/918065128.db2.gz AXFZRXHKVNNDKG-UHFFFAOYSA-N 1 2 401.282 4.068 20 5 HIBDLO O=C(Nc1cc(F)c(Br)cc1F)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000510114351 918675975 /nfs/dbraw/zinc/67/59/75/918675975.db2.gz UXFHBBWSBYXQOM-UHFFFAOYSA-N 1 2 423.173 4.074 20 5 HIBDLO Cc1c(Br)cc(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)cc1[N+](=O)[O-] ZINC000510601065 919042379 /nfs/dbraw/zinc/04/23/79/919042379.db2.gz PSWNYNATDCIRBM-UHFFFAOYSA-N 1 2 401.220 4.104 20 5 HIBDLO COc1cc(Br)ccc1[C@@H](C)[NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000510763813 919217316 /nfs/dbraw/zinc/21/73/16/919217316.db2.gz NJIXMYNRCOOPAU-SECBINFHSA-N 1 2 401.207 4.495 20 5 HIBDLO C[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1ccc(OCC(F)(F)F)cc1 ZINC000511059048 919655591 /nfs/dbraw/zinc/65/55/91/919655591.db2.gz JSRNFYZINDFDMW-UHFFFAOYSA-N 1 2 422.363 4.218 20 5 HIBDLO C[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1ccc(OCC(F)(F)F)cc1 ZINC000511059048 919655605 /nfs/dbraw/zinc/65/56/05/919655605.db2.gz JSRNFYZINDFDMW-UHFFFAOYSA-N 1 2 422.363 4.218 20 5 HIBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC([C@@H](F)c2ccccc2F)CC1 ZINC000511080533 919682521 /nfs/dbraw/zinc/68/25/21/919682521.db2.gz JGDAJPUKPTYVHD-OAQYLSRUSA-N 1 2 403.429 4.404 20 5 HIBDLO C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)Cc1cnccn1 ZINC000512214921 920963335 /nfs/dbraw/zinc/96/33/35/920963335.db2.gz XWTODNFHQKXTAJ-UHFFFAOYSA-N 1 2 403.236 4.039 20 5 HIBDLO C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)Cc1cnccn1 ZINC000512214921 920963353 /nfs/dbraw/zinc/96/33/53/920963353.db2.gz XWTODNFHQKXTAJ-UHFFFAOYSA-N 1 2 403.236 4.039 20 5 HIBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCCc2cc(Cl)cc(F)c21 ZINC000520256978 928423198 /nfs/dbraw/zinc/42/31/98/928423198.db2.gz NTOHKEFCBJMXRU-UHFFFAOYSA-N 1 2 400.797 4.166 20 5 HIBDLO CC[N@@H+]1CC[C@@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000530466447 930720761 /nfs/dbraw/zinc/72/07/61/930720761.db2.gz ADKPPEQDDBZNNG-APWZRJJASA-N 1 2 422.407 4.278 20 5 HIBDLO CC[N@H+]1CC[C@@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000530466447 930720781 /nfs/dbraw/zinc/72/07/81/930720781.db2.gz ADKPPEQDDBZNNG-APWZRJJASA-N 1 2 422.407 4.278 20 5 HIBDLO COc1ccccc1[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000532587442 931544124 /nfs/dbraw/zinc/54/41/24/931544124.db2.gz ZXKZEFRYUCATKD-KBPBESRZSA-N 1 2 403.866 4.073 20 5 HIBDLO COc1ccccc1[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000532587442 931544133 /nfs/dbraw/zinc/54/41/33/931544133.db2.gz ZXKZEFRYUCATKD-KBPBESRZSA-N 1 2 403.866 4.073 20 5 HIBDLO C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)Cc1cccc(Br)c1 ZINC000532930848 931701728 /nfs/dbraw/zinc/70/17/28/931701728.db2.gz ROUSRFIHQLSMQT-UHFFFAOYSA-N 1 2 412.671 4.081 20 5 HIBDLO C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)Cc1cccc(Br)c1 ZINC000532930848 931701735 /nfs/dbraw/zinc/70/17/35/931701735.db2.gz ROUSRFIHQLSMQT-UHFFFAOYSA-N 1 2 412.671 4.081 20 5 HIBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@H](c2ccccc2Cl)OC[C@@H]1C ZINC000532981969 931725785 /nfs/dbraw/zinc/72/57/85/931725785.db2.gz MEDNXCCHVJXZFL-MGPUTAFESA-N 1 2 417.893 4.347 20 5 HIBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H](c2ccccc2Cl)OC[C@@H]1C ZINC000532981969 931725788 /nfs/dbraw/zinc/72/57/88/931725788.db2.gz MEDNXCCHVJXZFL-MGPUTAFESA-N 1 2 417.893 4.347 20 5 HIBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCc2c(ccc(Cl)c2Cl)C1 ZINC000533267747 931823687 /nfs/dbraw/zinc/82/36/87/931823687.db2.gz MISSXVSURHNVOO-UHFFFAOYSA-N 1 2 422.268 4.258 20 5 HIBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCc2c(ccc(Cl)c2Cl)C1 ZINC000533267747 931823689 /nfs/dbraw/zinc/82/36/89/931823689.db2.gz MISSXVSURHNVOO-UHFFFAOYSA-N 1 2 422.268 4.258 20 5 HIBDLO Cc1ccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCC(OC(C)C)CC2)c([N+](=O)[O-])c1 ZINC000533338735 931842563 /nfs/dbraw/zinc/84/25/63/931842563.db2.gz GVRMAQVEOJVLMO-QFIPXVFZSA-N 1 2 411.502 4.472 20 5 HIBDLO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCO[C@H](c4ccc(F)c(F)c4)C3)o2)c1 ZINC000533412943 931860894 /nfs/dbraw/zinc/86/08/94/931860894.db2.gz MZUSPSVEMRJZQF-FQEVSTJZSA-N 1 2 415.396 4.144 20 5 HIBDLO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCO[C@H](c4ccc(F)c(F)c4)C3)o2)c1 ZINC000533412943 931860897 /nfs/dbraw/zinc/86/08/97/931860897.db2.gz MZUSPSVEMRJZQF-FQEVSTJZSA-N 1 2 415.396 4.144 20 5 HIBDLO CC1CCC(OC2CC[NH+](CC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])CC2)CC1 ZINC000533419676 931862421 /nfs/dbraw/zinc/86/24/21/931862421.db2.gz IKJQTMSRIWILTJ-UHFFFAOYSA-N 1 2 409.914 4.246 20 5 HIBDLO O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000533841032 932054792 /nfs/dbraw/zinc/05/47/92/932054792.db2.gz OXSSCDYEJRNUSM-UHFFFAOYSA-N 1 2 406.467 4.241 20 5 HIBDLO CC(C)(C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)c1ccc([N+](=O)[O-])cc1 ZINC000533843289 932056281 /nfs/dbraw/zinc/05/62/81/932056281.db2.gz KRWJDYSCGZGBIO-UHFFFAOYSA-N 1 2 402.454 4.426 20 5 HIBDLO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC000534391547 932415643 /nfs/dbraw/zinc/41/56/43/932415643.db2.gz QHYPCMBCXVHHIB-SJLPKXTDSA-N 1 2 423.897 4.284 20 5 HIBDLO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC000534391547 932415644 /nfs/dbraw/zinc/41/56/44/932415644.db2.gz QHYPCMBCXVHHIB-SJLPKXTDSA-N 1 2 423.897 4.284 20 5 HIBDLO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[NH+](Cc2cnc(C3CC3)s2)CC1 ZINC000535066593 932896164 /nfs/dbraw/zinc/89/61/64/932896164.db2.gz UFMTZOSQRAXPBA-UHFFFAOYSA-N 1 2 412.437 4.270 20 5 HIBDLO O=[N+]([O-])c1ccc(-c2nc(CN3CC[NH+](Cc4ccccc4Cl)CC3)co2)cc1 ZINC000535556962 933241894 /nfs/dbraw/zinc/24/18/94/933241894.db2.gz XTXFFBSMFHOUTA-UHFFFAOYSA-N 1 2 412.877 4.221 20 5 HIBDLO CC[C@@H](c1ccncc1)[N@H+](C)CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000535791505 933389379 /nfs/dbraw/zinc/38/93/79/933389379.db2.gz MZHUWGXXFIVLQF-SFHVURJKSA-N 1 2 411.487 4.135 20 5 HIBDLO CC[C@@H](c1ccncc1)[N@@H+](C)CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000535791505 933389381 /nfs/dbraw/zinc/38/93/81/933389381.db2.gz MZHUWGXXFIVLQF-SFHVURJKSA-N 1 2 411.487 4.135 20 5 HIBDLO C[N@@H+]1CC[C@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535886531 933468351 /nfs/dbraw/zinc/46/83/51/933468351.db2.gz VSNWYMUCULJIQR-OALUTQOASA-N 1 2 416.840 4.044 20 5 HIBDLO C[N@H+]1CC[C@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535886531 933468360 /nfs/dbraw/zinc/46/83/60/933468360.db2.gz VSNWYMUCULJIQR-OALUTQOASA-N 1 2 416.840 4.044 20 5 HIBDLO CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000538313100 938590402 /nfs/dbraw/zinc/59/04/02/938590402.db2.gz LRAWMRUSOHOUNK-UHFFFAOYSA-N 1 2 406.442 4.446 20 5 HIBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539701731 938906946 /nfs/dbraw/zinc/90/69/46/938906946.db2.gz BGXZTXCPUNUBCJ-MOPGFXCFSA-N 1 2 420.872 4.045 20 5 HIBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539701731 938906951 /nfs/dbraw/zinc/90/69/51/938906951.db2.gz BGXZTXCPUNUBCJ-MOPGFXCFSA-N 1 2 420.872 4.045 20 5 HIBDLO COc1ccc(-c2ccc(C[N@@H+]3CCO[C@H](c4cccc(O)c4)C3)o2)c([N+](=O)[O-])c1 ZINC000539837105 938953124 /nfs/dbraw/zinc/95/31/24/938953124.db2.gz AIWYXEDTFUGDIS-QFIPXVFZSA-N 1 2 410.426 4.143 20 5 HIBDLO COc1ccc(-c2ccc(C[N@H+]3CCO[C@H](c4cccc(O)c4)C3)o2)c([N+](=O)[O-])c1 ZINC000539837105 938953125 /nfs/dbraw/zinc/95/31/25/938953125.db2.gz AIWYXEDTFUGDIS-QFIPXVFZSA-N 1 2 410.426 4.143 20 5 HIBDLO CC[N@@H+]1CC[C@@H](NC(=O)c2cccc(C)c2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000540224037 939139912 /nfs/dbraw/zinc/13/99/12/939139912.db2.gz NKHKBDVTQHMDEJ-IEBWSBKVSA-N 1 2 405.857 4.261 20 5 HIBDLO CC[N@H+]1CC[C@@H](NC(=O)c2cccc(C)c2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000540224037 939139927 /nfs/dbraw/zinc/13/99/27/939139927.db2.gz NKHKBDVTQHMDEJ-IEBWSBKVSA-N 1 2 405.857 4.261 20 5 HIBDLO C[C@@H]([NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000540407545 939237659 /nfs/dbraw/zinc/23/76/59/939237659.db2.gz NNHFAZLVDUOEIC-LSDHHAIUSA-N 1 2 421.457 4.183 20 5 HIBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](CCO)c1ccccc1Br ZINC000541023852 939433484 /nfs/dbraw/zinc/43/34/84/939433484.db2.gz RAXFRMZTKBOJBB-SFHVURJKSA-N 1 2 423.307 4.358 20 5 HIBDLO CC[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c2cccc(Cl)c2O1 ZINC000541326710 939490955 /nfs/dbraw/zinc/49/09/55/939490955.db2.gz RDUUAHDQAFWOJJ-AWEZNQCLSA-N 1 2 412.833 4.252 20 5 HIBDLO Cc1csc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)n1 ZINC000542581532 939846098 /nfs/dbraw/zinc/84/60/98/939846098.db2.gz NUZPHQSOSLCJKS-VXGBXAGGSA-N 1 2 417.516 4.161 20 5 HIBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1nc(C(C)(C)C)cs1 ZINC000542589041 939846731 /nfs/dbraw/zinc/84/67/31/939846731.db2.gz UDADBSVKMUSXIT-VXGBXAGGSA-N 1 2 406.508 4.035 20 5 HIBDLO COc1cc(C[N@@H+]2CCC[C@@H]2c2cccc(C)n2)c([N+](=O)[O-])cc1OCC(F)F ZINC000542774738 939860168 /nfs/dbraw/zinc/86/01/68/939860168.db2.gz MQTNEFNRQIIHGH-MRXNPFEDSA-N 1 2 407.417 4.288 20 5 HIBDLO COc1cc(C[N@H+]2CCC[C@@H]2c2cccc(C)n2)c([N+](=O)[O-])cc1OCC(F)F ZINC000542774738 939860169 /nfs/dbraw/zinc/86/01/69/939860169.db2.gz MQTNEFNRQIIHGH-MRXNPFEDSA-N 1 2 407.417 4.288 20 5 HIBDLO C[N@@H+]1CCO[C@@H]([C@@H](NCc2ccc([N+](=O)[O-])cc2Cl)c2ccc(Cl)cc2)C1 ZINC000543414203 940057903 /nfs/dbraw/zinc/05/79/03/940057903.db2.gz PRXRCLNOOHRYRL-MOPGFXCFSA-N 1 2 410.301 4.063 20 5 HIBDLO C[N@H+]1CCO[C@@H]([C@@H](NCc2ccc([N+](=O)[O-])cc2Cl)c2ccc(Cl)cc2)C1 ZINC000543414203 940057908 /nfs/dbraw/zinc/05/79/08/940057908.db2.gz PRXRCLNOOHRYRL-MOPGFXCFSA-N 1 2 410.301 4.063 20 5 HIBDLO CN1CCO[C@@H]([C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)c2ccc(Cl)cc2)C1 ZINC000543414203 940057910 /nfs/dbraw/zinc/05/79/10/940057910.db2.gz PRXRCLNOOHRYRL-MOPGFXCFSA-N 1 2 410.301 4.063 20 5 HIBDLO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1nc(C(F)(F)F)cs1 ZINC000543493818 940083361 /nfs/dbraw/zinc/08/33/61/940083361.db2.gz ZOWUDNNBMGNYMX-CABZTGNLSA-N 1 2 402.398 4.138 20 5 HIBDLO C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+](C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000544057336 940313256 /nfs/dbraw/zinc/31/32/56/940313256.db2.gz IHCKIGOKPLKEGU-CYBMUJFWSA-N 1 2 416.421 4.080 20 5 HIBDLO C[C@H](c1ccc(C(F)(F)F)cc1)[N@@H+](C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000544057336 940313260 /nfs/dbraw/zinc/31/32/60/940313260.db2.gz IHCKIGOKPLKEGU-CYBMUJFWSA-N 1 2 416.421 4.080 20 5 HIBDLO O=[N+]([O-])c1ccc2[nH]cc(Cc3noc(/C=C\c4ccc(-n5cc[nH+]c5)cc4)n3)c2c1 ZINC000545143510 940549764 /nfs/dbraw/zinc/54/97/64/940549764.db2.gz YGCIKGMVCPOBDK-BAQGIRSFSA-N 1 2 412.409 4.406 20 5 HIBDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3F)n2)C1 ZINC000545163311 940552826 /nfs/dbraw/zinc/55/28/26/940552826.db2.gz IRHZJXWHDOOCAT-CYBMUJFWSA-N 1 2 420.510 4.339 20 5 HIBDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3F)n2)C1 ZINC000545163311 940552828 /nfs/dbraw/zinc/55/28/28/940552828.db2.gz IRHZJXWHDOOCAT-CYBMUJFWSA-N 1 2 420.510 4.339 20 5 HIBDLO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1cc2c(cc1Br)OCCO2 ZINC000552946759 941806461 /nfs/dbraw/zinc/80/64/61/941806461.db2.gz ZLSPZQJQQFHDBR-SNVBAGLBSA-N 1 2 411.227 4.118 20 5 HIBDLO Cn1ccnc1[C@H]([NH2+]C[C@@H](c1ccccc1)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000556891244 942954207 /nfs/dbraw/zinc/95/42/07/942954207.db2.gz COWNQBBRSYRKMT-ZWKOTPCHSA-N 1 2 404.392 4.353 20 5 HIBDLO C[C@@H]([NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)c1c(F)cccc1F ZINC000568449803 946554518 /nfs/dbraw/zinc/55/45/18/946554518.db2.gz URSFGVKPSPTGKZ-SECBINFHSA-N 1 2 418.181 4.328 20 5 HIBDLO COc1cc(C[NH2+]Cc2cc(F)c(C(F)(F)F)cc2F)c([N+](=O)[O-])cc1OC ZINC000568808855 946708856 /nfs/dbraw/zinc/70/88/56/946708856.db2.gz RFGAHMGLZXKJBY-UHFFFAOYSA-N 1 2 406.307 4.199 20 5 HIBDLO C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)Cc1cccc(Cl)c1 ZINC000006911627 845224390 /nfs/dbraw/zinc/22/43/90/845224390.db2.gz NBUUGZCSBKHWCL-UHFFFAOYSA-N 1 2 412.671 4.081 20 5 HIBDLO C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)Cc1cccc(Cl)c1 ZINC000006911627 845224400 /nfs/dbraw/zinc/22/44/00/845224400.db2.gz NBUUGZCSBKHWCL-UHFFFAOYSA-N 1 2 412.671 4.081 20 5 HIBDLO O=C(Nc1ccccc1N1CCCCCC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032141110 847987906 /nfs/dbraw/zinc/98/79/06/847987906.db2.gz NZVQFHTZUFMUOW-UHFFFAOYSA-N 1 2 405.458 4.413 20 5 HIBDLO CC(C)(C)c1nc2cc(NC(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)ccc2o1 ZINC000032178538 847991550 /nfs/dbraw/zinc/99/15/50/847991550.db2.gz IMIPRRAMLXSTSP-UHFFFAOYSA-N 1 2 405.414 4.472 20 5 HIBDLO COc1cc([C@H](C)NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)ccc1OC(C)C ZINC000032244595 847994136 /nfs/dbraw/zinc/99/41/36/847994136.db2.gz ROGIRMKJFAXJPJ-HNNXBMFYSA-N 1 2 424.457 4.067 20 5 HIBDLO C[C@H]1C[C@H]1c1ccc(CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C2CC2)o1 ZINC000041895172 848263029 /nfs/dbraw/zinc/26/30/29/848263029.db2.gz YLVVRINJJSPADA-KBXCAEBGSA-N 1 2 406.442 4.302 20 5 HIBDLO Cc1ccc(Br)cc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000046372214 848835321 /nfs/dbraw/zinc/83/53/21/848835321.db2.gz DSJVQCFWGRPRMS-UHFFFAOYSA-N 1 2 401.220 4.104 20 5 HIBDLO Cc1ccc(C(=O)C2CC[NH+]([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)CC2)cc1 ZINC000054299858 849842314 /nfs/dbraw/zinc/84/23/14/849842314.db2.gz KMGIGVXFELFNJC-KRWDZBQOSA-N 1 2 409.486 4.134 20 5 HIBDLO Cc1ccc(NC(=O)N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)cc1[N+](=O)[O-] ZINC000058824343 850939622 /nfs/dbraw/zinc/93/96/22/850939622.db2.gz HUEMXCGRMDXRSV-UHFFFAOYSA-N 1 2 422.407 4.272 20 5 HIBDLO CC(C)Oc1ccc(CC[C@@H](C)NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1 ZINC000059780511 851012501 /nfs/dbraw/zinc/01/25/01/851012501.db2.gz HNUWZFXNCMKYDY-QGZVFWFLSA-N 1 2 422.485 4.319 20 5 HIBDLO O=C(Nc1ccccc1OCCn1cc[nH+]c1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000063656973 851735744 /nfs/dbraw/zinc/73/57/44/851735744.db2.gz CXQGDPNANHXHLP-UHFFFAOYSA-N 1 2 408.439 4.337 20 5 HIBDLO CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000071855704 852419791 /nfs/dbraw/zinc/41/97/91/852419791.db2.gz XRIKKWGCBCPGRV-UHFFFAOYSA-N 1 2 423.473 4.314 20 5 HIBDLO CCCOc1ccc([C@@H](C)NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1OC ZINC000107903465 852807805 /nfs/dbraw/zinc/80/78/05/852807805.db2.gz UPOUXPOOHWLOGM-OAHLLOKOSA-N 1 2 424.457 4.069 20 5 HIBDLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000108636329 852867124 /nfs/dbraw/zinc/86/71/24/852867124.db2.gz YTDSFAWZPZJRBR-KBPBESRZSA-N 1 2 403.866 4.110 20 5 HIBDLO CC(C)(C)c1cc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n(C(C)(C)C)n1 ZINC000110561801 853118165 /nfs/dbraw/zinc/11/81/65/853118165.db2.gz XOLRIRVUJSKMRH-UHFFFAOYSA-N 1 2 410.478 4.282 20 5 HIBDLO O=C(Nc1ccccc1OCCn1cc[nH+]c1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437240693 862452188 /nfs/dbraw/zinc/45/21/88/862452188.db2.gz ZEGREJQMOJYSTA-UHFFFAOYSA-N 1 2 420.347 4.141 20 5 HIBDLO O=[N+]([O-])c1ccccc1C[NH2+]Cc1cc(Br)c(O)c(Br)c1 ZINC000223483589 853878312 /nfs/dbraw/zinc/87/83/12/853878312.db2.gz OMIHXDYVVDABGW-UHFFFAOYSA-N 1 2 416.069 4.115 20 5 HIBDLO O=[N+]([O-])c1cc(Br)cnc1NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000301691818 854446488 /nfs/dbraw/zinc/44/64/88/854446488.db2.gz NZKNPGFEVRVYQH-UHFFFAOYSA-N 1 2 406.284 4.140 20 5 HIBDLO C[N@@H+]1CCO[C@H]([C@H](Nc2ccc([N+](=O)[O-])c3cccnc23)c2ccc(Cl)cc2)C1 ZINC000301976503 854508093 /nfs/dbraw/zinc/50/80/93/854508093.db2.gz MMMHMJDCECDNSK-VQTJNVASSA-N 1 2 412.877 4.280 20 5 HIBDLO C[N@H+]1CCO[C@H]([C@H](Nc2ccc([N+](=O)[O-])c3cccnc23)c2ccc(Cl)cc2)C1 ZINC000301976503 854508095 /nfs/dbraw/zinc/50/80/95/854508095.db2.gz MMMHMJDCECDNSK-VQTJNVASSA-N 1 2 412.877 4.280 20 5 HIBDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437321254 862588329 /nfs/dbraw/zinc/58/83/29/862588329.db2.gz WMLVWGKHPXCSLR-UHFFFAOYSA-N 1 2 423.391 4.007 20 5 HIBDLO CC[C@H](C)[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1nc2ccccc2[nH]1 ZINC000410076304 855809877 /nfs/dbraw/zinc/80/98/77/855809877.db2.gz XLWHRCAIUYDFIA-VBKZILBWSA-N 1 2 418.457 4.174 20 5 HIBDLO C[C@H](NC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1)c1cccc([N+](=O)[O-])c1 ZINC000426004831 856041942 /nfs/dbraw/zinc/04/19/42/856041942.db2.gz APVRVZBAWDHXBM-JHVJFLLYSA-N 1 2 405.458 4.080 20 5 HIBDLO CCOC(=O)c1ccc2c(c1)nc(C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-])n2CC ZINC000429269136 857583971 /nfs/dbraw/zinc/58/39/71/857583971.db2.gz UTCULMPCBFPQFG-UHFFFAOYSA-N 1 2 410.474 4.166 20 5 HIBDLO Cc1ccoc1C[N@@H+](C)[C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000429388185 857636677 /nfs/dbraw/zinc/63/66/77/857636677.db2.gz QXDOCVROSJDYJR-ZDUSSCGKSA-N 1 2 400.460 4.079 20 5 HIBDLO Cc1ccoc1C[N@H+](C)[C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000429388185 857636680 /nfs/dbraw/zinc/63/66/80/857636680.db2.gz QXDOCVROSJDYJR-ZDUSSCGKSA-N 1 2 400.460 4.079 20 5 HIBDLO COC(=O)c1ccc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])c(Br)c1 ZINC000430147805 858052944 /nfs/dbraw/zinc/05/29/44/858052944.db2.gz PPQNWNGQLULIBV-UHFFFAOYSA-N 1 2 407.264 4.169 20 5 HIBDLO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000430239659 858093392 /nfs/dbraw/zinc/09/33/92/858093392.db2.gz KYBDNSXYXPWMGV-OAHLLOKOSA-N 1 2 404.772 4.099 20 5 HIBDLO O=C(Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000432674778 859286098 /nfs/dbraw/zinc/28/60/98/859286098.db2.gz DUCYINCJAZJRMG-UHFFFAOYSA-N 1 2 421.638 4.449 20 5 HIBDLO C[C@H]1CC[S@](=O)CC[N@@H+]1Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000433034956 859491613 /nfs/dbraw/zinc/49/16/13/859491613.db2.gz VAVGTCFYDOEDNE-PWFNWSNSSA-N 1 2 408.907 4.383 20 5 HIBDLO C[C@H]1CC[S@](=O)CC[N@H+]1Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000433034956 859491621 /nfs/dbraw/zinc/49/16/21/859491621.db2.gz VAVGTCFYDOEDNE-PWFNWSNSSA-N 1 2 408.907 4.383 20 5 HIBDLO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](c3cccc(Cl)c3)C2)c([N+](=O)[O-])c1 ZINC000433306130 859628902 /nfs/dbraw/zinc/62/89/02/859628902.db2.gz REQKORHCABGDJH-UKRRQHHQSA-N 1 2 403.866 4.073 20 5 HIBDLO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](c3cccc(Cl)c3)C2)c([N+](=O)[O-])c1 ZINC000433306130 859628914 /nfs/dbraw/zinc/62/89/14/859628914.db2.gz REQKORHCABGDJH-UKRRQHHQSA-N 1 2 403.866 4.073 20 5 HIBDLO Cc1occc1C[N@@H+](C)[C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000434715512 860467519 /nfs/dbraw/zinc/46/75/19/860467519.db2.gz ZISMLYKQDZCYHH-LBPRGKRZSA-N 1 2 400.460 4.079 20 5 HIBDLO Cc1occc1C[N@H+](C)[C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000434715512 860467524 /nfs/dbraw/zinc/46/75/24/860467524.db2.gz ZISMLYKQDZCYHH-LBPRGKRZSA-N 1 2 400.460 4.079 20 5 HIBDLO COc1cc(C[NH2+]Cc2cc(F)c(Cl)cc2F)c([N+](=O)[O-])cc1OCC(F)F ZINC000435034072 860608308 /nfs/dbraw/zinc/60/83/08/860608308.db2.gz MINILELUWRYXGN-UHFFFAOYSA-N 1 2 422.762 4.469 20 5 HIBDLO Cc1[nH+]c[nH]c1CNC(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 ZINC000467752901 881563617 /nfs/dbraw/zinc/56/36/17/881563617.db2.gz HYUCMJJGOFRELA-UHFFFAOYSA-N 1 2 402.863 4.361 20 5 HIBDLO COc1cc(C[N@@H+]2CCc3ncsc3C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000438346105 863816881 /nfs/dbraw/zinc/81/68/81/863816881.db2.gz BONPZDUQNJZNPI-UHFFFAOYSA-N 1 2 411.483 4.197 20 5 HIBDLO COc1cc(C[N@H+]2CCc3ncsc3C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000438346105 863816883 /nfs/dbraw/zinc/81/68/83/863816883.db2.gz BONPZDUQNJZNPI-UHFFFAOYSA-N 1 2 411.483 4.197 20 5 HIBDLO O=C(NC1CC(c2ccc(F)c(Cl)c2)C1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000467862034 881714971 /nfs/dbraw/zinc/71/49/71/881714971.db2.gz GOKDUGTVKMGGNK-UHFFFAOYSA-N 1 2 414.824 4.249 20 5 HIBDLO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000439122222 864558385 /nfs/dbraw/zinc/55/83/85/864558385.db2.gz HSHKERRIDISBQF-HUUCEWRRSA-N 1 2 417.893 4.418 20 5 HIBDLO O=[N+]([O-])c1ccc(-c2nnc(C[NH2+]C3(c4cccc(C(F)(F)F)c4)CC3)o2)cc1 ZINC000439822878 865138925 /nfs/dbraw/zinc/13/89/25/865138925.db2.gz QLPHOIPTGZPNSR-UHFFFAOYSA-N 1 2 404.348 4.443 20 5 HIBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000439932591 865232987 /nfs/dbraw/zinc/23/29/87/865232987.db2.gz OMYARFWOXNMODV-FPOVZHCZSA-N 1 2 421.457 4.240 20 5 HIBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC[C@@]2(CCCc3ccccc32)C1 ZINC000440001023 865305037 /nfs/dbraw/zinc/30/50/37/865305037.db2.gz PGMKBUGQGQDFDT-DEOSSOPVSA-N 1 2 416.481 4.291 20 5 HIBDLO Cc1ccccc1Nc1nc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cs1 ZINC000440492279 865793341 /nfs/dbraw/zinc/79/33/41/865793341.db2.gz IUFUYFXOIUAYIT-OAHLLOKOSA-N 1 2 410.503 4.185 20 5 HIBDLO Cc1ccccc1Nc1nc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cs1 ZINC000440492279 865793352 /nfs/dbraw/zinc/79/33/52/865793352.db2.gz IUFUYFXOIUAYIT-OAHLLOKOSA-N 1 2 410.503 4.185 20 5 HIBDLO O=C(C[NH+]1CCC(Sc2ccc(Cl)cc2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000441400615 866475714 /nfs/dbraw/zinc/47/57/14/866475714.db2.gz WWRYYQOMNANZMX-UHFFFAOYSA-N 1 2 405.907 4.443 20 5 HIBDLO O=C(Nc1cc(Br)c(F)cc1F)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000468217874 882099668 /nfs/dbraw/zinc/09/96/68/882099668.db2.gz ZXTIQQBVUNICBV-UHFFFAOYSA-N 1 2 423.173 4.074 20 5 HIBDLO O=C(c1ccccc1Sc1ccccc1[N+](=O)[O-])N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000442742488 867659831 /nfs/dbraw/zinc/65/98/31/867659831.db2.gz PFRUCYYTIPDAIY-HNNXBMFYSA-N 1 2 408.483 4.489 20 5 HIBDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C1 ZINC000444659690 868936816 /nfs/dbraw/zinc/93/68/16/868936816.db2.gz QEQJVSHKRDZBGO-MRXNPFEDSA-N 1 2 406.442 4.140 20 5 HIBDLO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000444664957 868943873 /nfs/dbraw/zinc/94/38/73/868943873.db2.gz SIZFCSVPHPMUSD-HNNXBMFYSA-N 1 2 402.520 4.240 20 5 HIBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC[C@H](c4nc(C(F)(F)F)cs4)C3)nc2c1 ZINC000444671451 868950389 /nfs/dbraw/zinc/95/03/89/868950389.db2.gz GHCGURIFVDQSTC-JTQLQIEISA-N 1 2 411.409 4.326 20 5 HIBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCC[C@H](c4nc(C(F)(F)F)cs4)C3)nc2c1 ZINC000444671451 868950401 /nfs/dbraw/zinc/95/04/01/868950401.db2.gz GHCGURIFVDQSTC-JTQLQIEISA-N 1 2 411.409 4.326 20 5 HIBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@H](c2cccc(Cl)c2)OC[C@H]1C ZINC000444725435 868978387 /nfs/dbraw/zinc/97/83/87/868978387.db2.gz MWKFFHHCWOMHSL-FOIQADDNSA-N 1 2 417.893 4.347 20 5 HIBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@H](c2cccc(Cl)c2)OC[C@H]1C ZINC000444725435 868978399 /nfs/dbraw/zinc/97/83/99/868978399.db2.gz MWKFFHHCWOMHSL-FOIQADDNSA-N 1 2 417.893 4.347 20 5 HIBDLO Cc1cccc2nc(C3CC[NH+](CC(=O)Nc4c(C)cccc4[N+](=O)[O-])CC3)oc21 ZINC000444772237 868995073 /nfs/dbraw/zinc/99/50/73/868995073.db2.gz MVGFQMPGQQAMNY-UHFFFAOYSA-N 1 2 408.458 4.171 20 5 HIBDLO O=C(CCc1cccc([N+](=O)[O-])c1)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000445634792 869703808 /nfs/dbraw/zinc/70/38/08/869703808.db2.gz NMTPCWQZLOKROH-UHFFFAOYSA-N 1 2 422.510 4.181 20 5 HIBDLO O=C(CCc1cccc([N+](=O)[O-])c1)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000445634792 869703820 /nfs/dbraw/zinc/70/38/20/869703820.db2.gz NMTPCWQZLOKROH-UHFFFAOYSA-N 1 2 422.510 4.181 20 5 HIBDLO O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000447682067 871614589 /nfs/dbraw/zinc/61/45/89/871614589.db2.gz VELCENRAPYIIJD-UHFFFAOYSA-N 1 2 422.407 4.166 20 5 HIBDLO O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CCN(c3ncncc3Cl)CC2)s1 ZINC000468709675 882824052 /nfs/dbraw/zinc/82/40/52/882824052.db2.gz OAGTXOXLSDKNQM-UHFFFAOYSA-N 1 2 415.906 4.089 20 5 HIBDLO COc1ccc2c(c1)C[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H](c1ccccc1)C2 ZINC000468809483 882870179 /nfs/dbraw/zinc/87/01/79/882870179.db2.gz CRIYOLLDBJRFDH-QFIPXVFZSA-N 1 2 417.465 4.002 20 5 HIBDLO COc1ccc2c(c1)C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H](c1ccccc1)C2 ZINC000468809483 882870180 /nfs/dbraw/zinc/87/01/80/882870180.db2.gz CRIYOLLDBJRFDH-QFIPXVFZSA-N 1 2 417.465 4.002 20 5 HIBDLO CCOC(=O)c1c[nH+]c2ccccc2c1N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000462937104 875962251 /nfs/dbraw/zinc/96/22/51/875962251.db2.gz YBYVPCJAUVFMEX-UHFFFAOYSA-N 1 2 421.453 4.368 20 5 HIBDLO COc1cc(C[N@H+](C)[C@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2O)c([N+](=O)[O-])cc1F ZINC000463482308 876539796 /nfs/dbraw/zinc/53/97/96/876539796.db2.gz JJJQHUYMRSVOEY-WMZOPIPTSA-N 1 2 415.248 4.139 20 5 HIBDLO COc1cc(C[N@@H+](C)[C@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2O)c([N+](=O)[O-])cc1F ZINC000463482308 876539811 /nfs/dbraw/zinc/53/98/11/876539811.db2.gz JJJQHUYMRSVOEY-WMZOPIPTSA-N 1 2 415.248 4.139 20 5 HIBDLO Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1 ZINC000464045377 877186511 /nfs/dbraw/zinc/18/65/11/877186511.db2.gz NMJSCLWWBCSSGM-PMACEKPBSA-N 1 2 404.470 4.497 20 5 HIBDLO O=[N+]([O-])c1ccc(OC2CC[NH+](Cc3csc(Nc4ccccc4)n3)CC2)cc1 ZINC000464771430 878014769 /nfs/dbraw/zinc/01/47/69/878014769.db2.gz DXKYUWRORJCEKB-UHFFFAOYSA-N 1 2 410.499 4.838 20 5 HIBDLO O=[N+]([O-])c1ccc(OC2CC[NH+](Cc3nnc(-c4ccc(Cl)cc4)o3)CC2)cc1 ZINC000464777718 878022621 /nfs/dbraw/zinc/02/26/21/878022621.db2.gz NCGWBODDYRJKBA-UHFFFAOYSA-N 1 2 414.849 4.342 20 5 HIBDLO COc1ccc(C2CC[NH+](CC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CC2)cc1 ZINC000467176313 880904780 /nfs/dbraw/zinc/90/47/80/880904780.db2.gz NQNCWSZNJLDEJU-UHFFFAOYSA-N 1 2 403.866 4.075 20 5 HIBDLO Cc1nn(-c2ccccc2C)c(C)c1C[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000467195852 880924992 /nfs/dbraw/zinc/92/49/92/880924992.db2.gz NCWFCVOEVBWDIF-GOSISDBHSA-N 1 2 421.501 4.165 20 5 HIBDLO Cc1nn(-c2ccccc2C)c(C)c1C[N@H+](C)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000467195852 880925000 /nfs/dbraw/zinc/92/50/00/880925000.db2.gz NCWFCVOEVBWDIF-GOSISDBHSA-N 1 2 421.501 4.165 20 5 HIBDLO C[N@H+](C[C@@H]1CCCCO1)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000467197017 880926478 /nfs/dbraw/zinc/92/64/78/880926478.db2.gz RMHWKCAOYFJLJZ-FXAWDEMLSA-N 1 2 417.893 4.429 20 5 HIBDLO C[N@@H+](C[C@@H]1CCCCO1)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000467197017 880926486 /nfs/dbraw/zinc/92/64/86/880926486.db2.gz RMHWKCAOYFJLJZ-FXAWDEMLSA-N 1 2 417.893 4.429 20 5 HIBDLO O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000469168453 883266132 /nfs/dbraw/zinc/26/61/32/883266132.db2.gz XXNBYAHCNGXRJU-UHFFFAOYSA-N 1 2 422.407 4.166 20 5 HIBDLO Cc1cc(N2CC[NH+](C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)ncc1[N+](=O)[O-] ZINC000470863720 885354772 /nfs/dbraw/zinc/35/47/72/885354772.db2.gz WMLUREKOKDMUPP-UHFFFAOYSA-N 1 2 424.451 4.488 20 5 HIBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000471989194 886816328 /nfs/dbraw/zinc/81/63/28/886816328.db2.gz RVUDWSMHTJYJCZ-VQIMIIECSA-N 1 2 404.417 4.057 20 5 HIBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000471989194 886816329 /nfs/dbraw/zinc/81/63/29/886816329.db2.gz RVUDWSMHTJYJCZ-VQIMIIECSA-N 1 2 404.417 4.057 20 5 HIBDLO COc1ccc(CC2CC[NH+](CC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CC2)cc1 ZINC000504484607 913277740 /nfs/dbraw/zinc/27/77/40/913277740.db2.gz VOGNUVNGBWBKNI-UHFFFAOYSA-N 1 2 417.893 4.150 20 5 HIBDLO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000504530080 913310924 /nfs/dbraw/zinc/31/09/24/913310924.db2.gz OAFCRIGDEUBENZ-UHFFFAOYSA-N 1 2 402.520 4.148 20 5 HIBDLO Cc1cccc(CC2(O)CC[NH+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)CC2)c1 ZINC000475507515 890423821 /nfs/dbraw/zinc/42/38/21/890423821.db2.gz FXOJNQYEAZNKSB-UHFFFAOYSA-N 1 2 406.429 4.074 20 5 HIBDLO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000479282516 894560770 /nfs/dbraw/zinc/56/07/70/894560770.db2.gz MVQKDZKPJCJBDF-UHFFFAOYSA-N 1 2 406.533 4.040 20 5 HIBDLO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000479282516 894560780 /nfs/dbraw/zinc/56/07/80/894560780.db2.gz MVQKDZKPJCJBDF-UHFFFAOYSA-N 1 2 406.533 4.040 20 5 HIBDLO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)c1nc(C2CCCCC2)no1 ZINC000483655464 899314555 /nfs/dbraw/zinc/31/45/55/899314555.db2.gz RBYFQTBFZDKQJV-KGLIPLIRSA-N 1 2 401.467 4.093 20 5 HIBDLO Cc1c([C@@H](C)[NH2+]Cc2csc(CNC(=O)c3ccccc3)n2)cccc1[N+](=O)[O-] ZINC000484310120 899870033 /nfs/dbraw/zinc/87/00/33/899870033.db2.gz PIDNGGWMBVUNIJ-OAHLLOKOSA-N 1 2 410.499 4.141 20 5 HIBDLO Cc1nc2ccccc2c(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1C(C)C ZINC000485661809 900913076 /nfs/dbraw/zinc/91/30/76/900913076.db2.gz MCFIDQFPWGJFTI-UHFFFAOYSA-N 1 2 415.453 4.435 20 5 HIBDLO CC(C)(C)Oc1cc(NC[C@@H](c2cccs2)[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000485873213 901110986 /nfs/dbraw/zinc/11/09/86/901110986.db2.gz TWHVREYYBRVBLU-KRWDZBQOSA-N 1 2 405.520 4.319 20 5 HIBDLO CSc1ccc(C(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1[N+](=O)[O-] ZINC000485993141 901211208 /nfs/dbraw/zinc/21/12/08/901211208.db2.gz XXZPAAURGYZTTP-HUUCEWRRSA-N 1 2 415.515 4.178 20 5 HIBDLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1 ZINC000486733105 901819012 /nfs/dbraw/zinc/81/90/12/901819012.db2.gz RMQABHBBUNPBGU-UHFFFAOYSA-N 1 2 404.348 4.038 20 5 HIBDLO C[C@@H]([NH2+][C@@H](C)c1nc(C(F)(F)F)cs1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000490077002 903761205 /nfs/dbraw/zinc/76/12/05/903761205.db2.gz CTEJMBVEIAHOCV-SFYZADRCSA-N 1 2 422.816 4.401 20 5 HIBDLO COc1cc(C[N@@H+]2CCCC[C@@H]2c2cccn2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000490354913 903947348 /nfs/dbraw/zinc/94/73/48/903947348.db2.gz NHENKOCHRKJARJ-MRXNPFEDSA-N 1 2 409.433 4.313 20 5 HIBDLO COc1cc(C[N@H+]2CCCC[C@@H]2c2cccn2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000490354913 903947359 /nfs/dbraw/zinc/94/73/59/903947359.db2.gz NHENKOCHRKJARJ-MRXNPFEDSA-N 1 2 409.433 4.313 20 5 HIBDLO O=C(c1cc([N+](=O)[O-])ccc1Sc1ccccc1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000490542251 904087289 /nfs/dbraw/zinc/08/72/89/904087289.db2.gz IIBOIMCEHJZDLM-SFHVURJKSA-N 1 2 421.478 4.435 20 5 HIBDLO COc1cc(C[NH2+][C@H]2COc3c2ccc(C)c3C)c([N+](=O)[O-])cc1OCC(F)F ZINC000491033738 904386334 /nfs/dbraw/zinc/38/63/34/904386334.db2.gz QTWYXXLJLFTDHC-HNNXBMFYSA-N 1 2 408.401 4.087 20 5 HIBDLO CCOc1cc(C[N@@H+]2CCC[C@@H](NC(=O)c3cc4ccccc4o3)C2)ccc1[N+](=O)[O-] ZINC000492697975 904890914 /nfs/dbraw/zinc/89/09/14/904890914.db2.gz SNBLWZQNQHZORJ-GOSISDBHSA-N 1 2 423.469 4.134 20 5 HIBDLO CCOc1cc(C[N@H+]2CCC[C@@H](NC(=O)c3cc4ccccc4o3)C2)ccc1[N+](=O)[O-] ZINC000492697975 904890923 /nfs/dbraw/zinc/89/09/23/904890923.db2.gz SNBLWZQNQHZORJ-GOSISDBHSA-N 1 2 423.469 4.134 20 5 HIBDLO Cc1ccc([C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC000493222930 905056315 /nfs/dbraw/zinc/05/63/15/905056315.db2.gz BJZJZQMIHKNSHI-QHCPKHFHSA-N 1 2 424.522 4.494 20 5 HIBDLO Cc1ccc([C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])c2cccc(S(C)(=O)=O)c2)cc1 ZINC000493234655 905057635 /nfs/dbraw/zinc/05/76/35/905057635.db2.gz WGWBIALBVKNSHH-JOCHJYFZSA-N 1 2 410.495 4.186 20 5 HIBDLO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000493966677 905316089 /nfs/dbraw/zinc/31/60/89/905316089.db2.gz KYGZPPSVLOEOAK-INIZCTEOSA-N 1 2 416.547 4.171 20 5 HIBDLO Cc1c([C@H](C)[NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)nnn1-c1ccc(F)cc1 ZINC000494448969 905733247 /nfs/dbraw/zinc/73/32/47/905733247.db2.gz HJUMYIAUPCYNEK-NSHDSACASA-N 1 2 423.370 4.493 20 5 HIBDLO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000512574782 921245259 /nfs/dbraw/zinc/24/52/59/921245259.db2.gz TZEHKEVSPBVNIA-NSHDSACASA-N 1 2 421.240 4.493 20 5 HIBDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C[C@@H](C)O1 ZINC000501450100 910577590 /nfs/dbraw/zinc/57/75/90/910577590.db2.gz LQILSQUSDOJSFP-HUUCEWRRSA-N 1 2 409.442 4.203 20 5 HIBDLO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000502566511 911573306 /nfs/dbraw/zinc/57/33/06/911573306.db2.gz CDFGQXQVBYQJLJ-UHFFFAOYSA-N 1 2 410.499 4.272 20 5 HIBDLO Cc1ccccc1[C@@H]1CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000507219931 915972387 /nfs/dbraw/zinc/97/23/87/915972387.db2.gz RUYOZSKYIAQFTF-CQSZACIVSA-N 1 2 418.291 4.094 20 5 HIBDLO Cc1ccccc1[C@@H]1CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000507219931 915972417 /nfs/dbraw/zinc/97/24/17/915972417.db2.gz RUYOZSKYIAQFTF-CQSZACIVSA-N 1 2 418.291 4.094 20 5 HIBDLO CC(C)[N@@H+]1CC[C@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000507361667 916115612 /nfs/dbraw/zinc/11/56/12/916115612.db2.gz MTPQICOQXLINAB-RBUKOAKNSA-N 1 2 421.856 4.047 20 5 HIBDLO CC(C)[N@H+]1CC[C@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000507361667 916115630 /nfs/dbraw/zinc/11/56/30/916115630.db2.gz MTPQICOQXLINAB-RBUKOAKNSA-N 1 2 421.856 4.047 20 5 HIBDLO O=[N+]([O-])c1cc(C[NH2+][C@@H](CC(F)(F)F)c2ccc(F)cc2)c2c(c1)COCO2 ZINC000507833728 916635771 /nfs/dbraw/zinc/63/57/71/916635771.db2.gz OLDSAXUADKJBFO-INIZCTEOSA-N 1 2 400.328 4.384 20 5 HIBDLO CCOc1ccc(C2=CC[N@H+](Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)cc1 ZINC000509489660 918135309 /nfs/dbraw/zinc/13/53/09/918135309.db2.gz RHLNIIPGHCOMGW-UHFFFAOYSA-N 1 2 406.442 4.333 20 5 HIBDLO CCOc1ccc(C2=CC[N@@H+](Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)cc1 ZINC000509489660 918135315 /nfs/dbraw/zinc/13/53/15/918135315.db2.gz RHLNIIPGHCOMGW-UHFFFAOYSA-N 1 2 406.442 4.333 20 5 HIBDLO Cn1cc(C(F)(F)F)nc1[C@@H]1CCC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000510608626 919050762 /nfs/dbraw/zinc/05/07/62/919050762.db2.gz MZKBBKXWLGUOGJ-SNVBAGLBSA-N 1 2 404.339 4.005 20 5 HIBDLO Cn1cc(C(F)(F)F)nc1[C@@H]1CCC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000510608626 919050775 /nfs/dbraw/zinc/05/07/75/919050775.db2.gz MZKBBKXWLGUOGJ-SNVBAGLBSA-N 1 2 404.339 4.005 20 5 HIBDLO Cc1cc(Cl)ccc1C[NH+]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000511110499 919720187 /nfs/dbraw/zinc/72/01/87/919720187.db2.gz VCJIJZUSJRIQTK-UHFFFAOYSA-N 1 2 400.866 4.016 20 5 HIBDLO Cn1ccnc1[C@H]([NH2+]CCOc1ccc2ccccc2c1)c1ccc([N+](=O)[O-])cc1 ZINC000513652454 921974361 /nfs/dbraw/zinc/97/43/61/921974361.db2.gz ANZOOXYWGMOYCY-JOCHJYFZSA-N 1 2 402.454 4.240 20 5 HIBDLO Cn1ccnc1[C@H]([NH2+]CCOc1cccc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000513668074 921989559 /nfs/dbraw/zinc/98/95/59/921989559.db2.gz VKZLUIDHVOZEDJ-JOCHJYFZSA-N 1 2 402.454 4.240 20 5 HIBDLO Cn1ccnc1[C@@H]([NH2+]CCOc1cccc(C(F)(F)F)c1)c1cccc([N+](=O)[O-])c1 ZINC000513713211 922032771 /nfs/dbraw/zinc/03/27/71/922032771.db2.gz MGEOOBMKOOQTEE-SFHVURJKSA-N 1 2 420.391 4.105 20 5 HIBDLO COc1ccc(C[NH2+][C@@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)cc1[N+](=O)[O-] ZINC000515738369 923314057 /nfs/dbraw/zinc/31/40/57/923314057.db2.gz ULGXGXAHRIXEAX-JOCHJYFZSA-N 1 2 405.454 4.381 20 5 HIBDLO O=C(N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1)C1(CCF)CC1 ZINC000519856084 928098745 /nfs/dbraw/zinc/09/87/45/928098745.db2.gz HKGYAKNJFZALAW-UHFFFAOYSA-N 1 2 417.506 4.107 20 5 HIBDLO CC[N@@H+]1CC[C@@H](NC(=O)Nc2cccc([N+](=O)[O-])c2C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000530461537 930715968 /nfs/dbraw/zinc/71/59/68/930715968.db2.gz RJXURWCSBTWXJH-VQIMIIECSA-N 1 2 422.407 4.278 20 5 HIBDLO CC[N@H+]1CC[C@@H](NC(=O)Nc2cccc([N+](=O)[O-])c2C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000530461537 930715974 /nfs/dbraw/zinc/71/59/74/930715974.db2.gz RJXURWCSBTWXJH-VQIMIIECSA-N 1 2 422.407 4.278 20 5 HIBDLO CC[N@@H+]1CC[C@H](NC(=O)Nc2cccc([N+](=O)[O-])c2C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000530461535 930717611 /nfs/dbraw/zinc/71/76/11/930717611.db2.gz RJXURWCSBTWXJH-QFBILLFUSA-N 1 2 422.407 4.278 20 5 HIBDLO CC[N@H+]1CC[C@H](NC(=O)Nc2cccc([N+](=O)[O-])c2C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000530461535 930717623 /nfs/dbraw/zinc/71/76/23/930717623.db2.gz RJXURWCSBTWXJH-QFBILLFUSA-N 1 2 422.407 4.278 20 5 HIBDLO CC(C)[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)Cc1ccccc1F ZINC000532490894 931459087 /nfs/dbraw/zinc/45/90/87/931459087.db2.gz NKKNGHHWVLAKOL-UHFFFAOYSA-N 1 2 424.270 4.346 20 5 HIBDLO CC(C)[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)Cc1ccccc1F ZINC000532490894 931459089 /nfs/dbraw/zinc/45/90/89/931459089.db2.gz NKKNGHHWVLAKOL-UHFFFAOYSA-N 1 2 424.270 4.346 20 5 HIBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(Oc2ccccc2Cl)CC1 ZINC000532827498 931643916 /nfs/dbraw/zinc/64/39/16/931643916.db2.gz BPCSKHNLLDOALR-AWEZNQCLSA-N 1 2 403.866 4.119 20 5 HIBDLO C[N@@H+]1CC[C@@H](NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534391448 932415876 /nfs/dbraw/zinc/41/58/76/932415876.db2.gz KQRNSKIXEXVEPI-IEBWSBKVSA-N 1 2 416.840 4.044 20 5 HIBDLO C[N@H+]1CC[C@@H](NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534391448 932415886 /nfs/dbraw/zinc/41/58/86/932415886.db2.gz KQRNSKIXEXVEPI-IEBWSBKVSA-N 1 2 416.840 4.044 20 5 HIBDLO C[N@@H+]1CC[C@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534394675 932419641 /nfs/dbraw/zinc/41/96/41/932419641.db2.gz VFWOXKOVUQLCRR-HNAYVOBHSA-N 1 2 416.840 4.044 20 5 HIBDLO C[N@H+]1CC[C@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534394675 932419646 /nfs/dbraw/zinc/41/96/46/932419646.db2.gz VFWOXKOVUQLCRR-HNAYVOBHSA-N 1 2 416.840 4.044 20 5 HIBDLO COc1ccc(NC(=O)C[N@H+](C)[C@H](C)c2sc(C(C)C)nc2C)c([N+](=O)[O-])c1 ZINC000535213181 933019724 /nfs/dbraw/zinc/01/97/24/933019724.db2.gz UKWFCTIXGLTKGP-CYBMUJFWSA-N 1 2 406.508 4.123 20 5 HIBDLO COc1ccc(NC(=O)C[N@@H+](C)[C@H](C)c2sc(C(C)C)nc2C)c([N+](=O)[O-])c1 ZINC000535213181 933019728 /nfs/dbraw/zinc/01/97/28/933019728.db2.gz UKWFCTIXGLTKGP-CYBMUJFWSA-N 1 2 406.508 4.123 20 5 HIBDLO C[N@@H+]1CC[C@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535886532 933468230 /nfs/dbraw/zinc/46/82/30/933468230.db2.gz VSNWYMUCULJIQR-RBUKOAKNSA-N 1 2 416.840 4.044 20 5 HIBDLO C[N@H+]1CC[C@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535886532 933468234 /nfs/dbraw/zinc/46/82/34/933468234.db2.gz VSNWYMUCULJIQR-RBUKOAKNSA-N 1 2 416.840 4.044 20 5 HIBDLO O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000537915598 938411777 /nfs/dbraw/zinc/41/17/77/938411777.db2.gz PVLRESDIGHIXKL-UHFFFAOYSA-N 1 2 422.407 4.319 20 5 HIBDLO Cc1nn2c(C[NH+]3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)c(C(C)C)nc2s1 ZINC000538735116 938696541 /nfs/dbraw/zinc/69/65/41/938696541.db2.gz YLLFFTGFEUHKND-UHFFFAOYSA-N 1 2 415.519 4.174 20 5 HIBDLO CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(F)cc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539124459 938806564 /nfs/dbraw/zinc/80/65/64/938806564.db2.gz FKMKPWYROXVEOG-AEFFLSMTSA-N 1 2 409.820 4.092 20 5 HIBDLO CC[N@H+]1CC[C@@H](NC(=O)c2ccc(F)cc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539124459 938806565 /nfs/dbraw/zinc/80/65/65/938806565.db2.gz FKMKPWYROXVEOG-AEFFLSMTSA-N 1 2 409.820 4.092 20 5 HIBDLO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000539350417 938846635 /nfs/dbraw/zinc/84/66/35/938846635.db2.gz YUPZTMIOLIHEJQ-UHFFFAOYSA-N 1 2 424.526 4.313 20 5 HIBDLO COc1cccc(F)c1[C@@H](C)[NH2+]Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000539360767 938848511 /nfs/dbraw/zinc/84/85/11/938848511.db2.gz RMXTYJYQLRSZKL-SNVBAGLBSA-N 1 2 400.353 4.203 20 5 HIBDLO C[C@H](C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000541613476 939570858 /nfs/dbraw/zinc/57/08/58/939570858.db2.gz QLYFPEGOLVBXLI-OAGGEKHMSA-N 1 2 415.465 4.085 20 5 HIBDLO Cc1ccc(C(C)C)c(Oc2ccc(C[NH2+]Cc3cc(C(N)=O)no3)cc2[N+](=O)[O-])c1 ZINC000541763675 939624202 /nfs/dbraw/zinc/62/42/02/939624202.db2.gz RVDUCGLQZKHVGR-UHFFFAOYSA-N 1 2 424.457 4.196 20 5 HIBDLO Cc1csc([C@H](C)[NH2+][C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)n1 ZINC000542581529 939846065 /nfs/dbraw/zinc/84/60/65/939846065.db2.gz NUZPHQSOSLCJKS-NEPJUHHUSA-N 1 2 417.516 4.161 20 5 HIBDLO Cc1csc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)n1 ZINC000542581531 939846120 /nfs/dbraw/zinc/84/61/20/939846120.db2.gz NUZPHQSOSLCJKS-RYUDHWBXSA-N 1 2 417.516 4.161 20 5 HIBDLO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)c1nc(C(F)(F)F)cs1 ZINC000543497067 940084939 /nfs/dbraw/zinc/08/49/39/940084939.db2.gz SLYCGRXXGUFBIU-JOYOIKCWSA-N 1 2 402.398 4.138 20 5 HIBDLO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000544422348 940421199 /nfs/dbraw/zinc/42/11/99/940421199.db2.gz YFCLLECKVYNPFW-NSHDSACASA-N 1 2 423.395 4.476 20 5 HIBDLO C[C@@H]([NH2+][C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)c1cnn(C)c1 ZINC000544470060 940445162 /nfs/dbraw/zinc/44/51/62/940445162.db2.gz WWAQRTQYVJLVJO-BFUOFWGJSA-N 1 2 413.865 4.012 20 5 HIBDLO COCc1cc([N+](=O)[O-])ccc1NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000546053231 940683377 /nfs/dbraw/zinc/68/33/77/940683377.db2.gz OZCBLLWJGJEWEV-UHFFFAOYSA-N 1 2 419.279 4.114 20 5 HIBDLO COc1ccc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)c(Br)c1O ZINC000546256995 940750727 /nfs/dbraw/zinc/75/07/27/940750727.db2.gz OKFYXMLIKHWEPZ-UHFFFAOYSA-N 1 2 409.280 4.482 20 5 HIBDLO COc1ccc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)c(Br)c1O ZINC000546256995 940750735 /nfs/dbraw/zinc/75/07/35/940750735.db2.gz OKFYXMLIKHWEPZ-UHFFFAOYSA-N 1 2 409.280 4.482 20 5 HIBDLO C[C@H]1CO[C@H](c2noc(/C=C\c3ccccc3[N+](=O)[O-])n2)C[N@@H+]1Cc1ccccc1 ZINC000546514320 940840606 /nfs/dbraw/zinc/84/06/06/940840606.db2.gz IMPLRAKWMMRNTF-NPPBYXQQSA-N 1 2 406.442 4.110 20 5 HIBDLO C[C@H]1CO[C@H](c2noc(/C=C\c3ccccc3[N+](=O)[O-])n2)C[N@H+]1Cc1ccccc1 ZINC000546514320 940840608 /nfs/dbraw/zinc/84/06/08/940840608.db2.gz IMPLRAKWMMRNTF-NPPBYXQQSA-N 1 2 406.442 4.110 20 5 HIBDLO Cc1nnc([C@H](C)[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)s1 ZINC000546767119 940879192 /nfs/dbraw/zinc/87/91/92/940879192.db2.gz HIDXEXNFZNWJLC-AWEZNQCLSA-N 1 2 420.498 4.458 20 5 HIBDLO Cc1nc(C[NH+]2CCC(c3nc(Cc4ccc([N+](=O)[O-])c(C)c4)no3)CC2)cs1 ZINC000547197699 941028728 /nfs/dbraw/zinc/02/87/28/941028728.db2.gz FDUAMPZULLPOQZ-UHFFFAOYSA-N 1 2 413.503 4.022 20 5 HIBDLO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000555817076 942743241 /nfs/dbraw/zinc/74/32/41/942743241.db2.gz GBCMLQMRLWRNNN-UHFFFAOYSA-N 1 2 401.220 4.104 20 5 HIBDLO Cc1cccc([N+](=O)[O-])c1C(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000557245073 943060232 /nfs/dbraw/zinc/06/02/32/943060232.db2.gz JAQNRYOLTIIDJW-UHFFFAOYSA-N 1 2 408.483 4.170 20 5 HIBDLO Cc1cccc([N+](=O)[O-])c1C(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000557245073 943060243 /nfs/dbraw/zinc/06/02/43/943060243.db2.gz JAQNRYOLTIIDJW-UHFFFAOYSA-N 1 2 408.483 4.170 20 5 HIBDLO O=C(NCCc1cccc([N+](=O)[O-])c1)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000559771452 944047973 /nfs/dbraw/zinc/04/79/73/944047973.db2.gz DOZUDZWZBMUOHK-UHFFFAOYSA-N 1 2 405.458 4.159 20 5 HIBDLO COc1cc(C[NH2+][C@H](C)c2ccc(Br)cc2F)c([N+](=O)[O-])cc1F ZINC000561796830 944800145 /nfs/dbraw/zinc/80/01/45/944800145.db2.gz FPWXMWCDKMWXAS-SECBINFHSA-N 1 2 401.207 4.495 20 5 HIBDLO C[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000571016136 947441003 /nfs/dbraw/zinc/44/10/03/947441003.db2.gz UENYUYNUJYFQRF-RQUSPXKASA-N 1 2 405.857 4.052 20 5 HIBDLO C[C@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000571016136 947441028 /nfs/dbraw/zinc/44/10/28/947441028.db2.gz UENYUYNUJYFQRF-RQUSPXKASA-N 1 2 405.857 4.052 20 5 HIBDLO CCc1nc([C@H](C)[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)cs1 ZINC000571190907 947538804 /nfs/dbraw/zinc/53/88/04/947538804.db2.gz FICAJPNLWCYMAK-VIFPVBQESA-N 1 2 417.272 4.069 20 5 HIBDLO O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000436011906 861302568 /nfs/dbraw/zinc/30/25/68/861302568.db2.gz FWFCQLCYMTYRMR-UHFFFAOYSA-N 1 2 423.860 4.269 20 5 HIBDLO Cc1cc(NC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc[nH+]1 ZINC000010162955 845626342 /nfs/dbraw/zinc/62/63/42/845626342.db2.gz SNCMAFGUYVCDQS-UHFFFAOYSA-N 1 2 408.380 4.172 20 5 HIBDLO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000028683530 847447086 /nfs/dbraw/zinc/44/70/86/847447086.db2.gz QIVXOOPDQVQWQI-ZIAGYGMSSA-N 1 2 420.560 4.403 20 5 HIBDLO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000028683530 847447097 /nfs/dbraw/zinc/44/70/97/847447097.db2.gz QIVXOOPDQVQWQI-ZIAGYGMSSA-N 1 2 420.560 4.403 20 5 HIBDLO Cc1ccc(C(=O)C2CC[NH+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)CC2)c(C)c1 ZINC000046780425 848933085 /nfs/dbraw/zinc/93/30/85/848933085.db2.gz PHNKNBWBPCABAQ-UHFFFAOYSA-N 1 2 410.470 4.173 20 5 HIBDLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000050335223 849373312 /nfs/dbraw/zinc/37/33/12/849373312.db2.gz CIFNHSJGWUAVSV-UHFFFAOYSA-N 1 2 409.402 4.295 20 5 HIBDLO Cc1ccc2[nH+]c(CSCC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C(C)C)cn2c1 ZINC000056988311 850529630 /nfs/dbraw/zinc/52/96/30/850529630.db2.gz ACBUFIDAAPYBLR-UHFFFAOYSA-N 1 2 412.515 4.221 20 5 HIBDLO C[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)Cc1ccc(OC(F)(F)F)cc1 ZINC000060843476 851228389 /nfs/dbraw/zinc/22/83/89/851228389.db2.gz UKLBYEPQQVRQEP-UHFFFAOYSA-N 1 2 408.336 4.175 20 5 HIBDLO C[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)Cc1ccc(OC(F)(F)F)cc1 ZINC000060843476 851228398 /nfs/dbraw/zinc/22/83/98/851228398.db2.gz UKLBYEPQQVRQEP-UHFFFAOYSA-N 1 2 408.336 4.175 20 5 HIBDLO CCOc1cccc2cc([C@H](C)NC(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)oc21 ZINC000104960196 852685437 /nfs/dbraw/zinc/68/54/37/852685437.db2.gz BDNCTLIJFNIVPN-AWEZNQCLSA-N 1 2 420.425 4.416 20 5 HIBDLO O=[N+]([O-])c1cc(C[NH2+]Cc2nncn2-c2ccccc2)ccc1Oc1ccc(F)cc1 ZINC000237881863 854113519 /nfs/dbraw/zinc/11/35/19/854113519.db2.gz FBMZYWTVBKXCCK-UHFFFAOYSA-N 1 2 419.416 4.397 20 5 HIBDLO Cc1ccc([C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000237896408 854116704 /nfs/dbraw/zinc/11/67/04/854116704.db2.gz ZVYFCBUWQPIOBY-HXUWFJFHSA-N 1 2 416.524 4.247 20 5 HIBDLO C[C@@H](c1nnc(Sc2ccc(F)cc2[N+](=O)[O-])n1-c1ccc(F)cc1)[NH+](C)C ZINC000301065579 854285608 /nfs/dbraw/zinc/28/56/08/854285608.db2.gz CIZCCLZIPHOWLJ-NSHDSACASA-N 1 2 405.430 4.228 20 5 HIBDLO NC(=O)C1CC[NH+](c2ccc(Nc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)CC1 ZINC000301130807 854306629 /nfs/dbraw/zinc/30/66/29/854306629.db2.gz RETDZSHLNCYBIS-UHFFFAOYSA-N 1 2 408.380 4.059 20 5 HIBDLO CCc1nn(C)c(NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)c1[N+](=O)[O-] ZINC000301942952 854500426 /nfs/dbraw/zinc/50/04/26/854500426.db2.gz XTNJUONWPILQON-UHFFFAOYSA-N 1 2 412.321 4.274 20 5 HIBDLO O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1NCc1ccccc1-n1cc[nH+]c1 ZINC000302671748 854601892 /nfs/dbraw/zinc/60/18/92/854601892.db2.gz OADZEXDZHSNTBN-UHFFFAOYSA-N 1 2 407.308 4.320 20 5 HIBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@H+](CCc3ccccc3)Cc3cccnc3)n2)c1 ZINC000429285317 857590402 /nfs/dbraw/zinc/59/04/02/857590402.db2.gz GPFRTRNNILYRLZ-UHFFFAOYSA-N 1 2 415.453 4.285 20 5 HIBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+](CCc3ccccc3)Cc3cccnc3)n2)c1 ZINC000429285317 857590408 /nfs/dbraw/zinc/59/04/08/857590408.db2.gz GPFRTRNNILYRLZ-UHFFFAOYSA-N 1 2 415.453 4.285 20 5 HIBDLO COc1cccc(C([NH2+]Cc2ccc([N+](=O)[O-])cc2OC)c2cccc(OC)c2)c1 ZINC000429801186 857889607 /nfs/dbraw/zinc/88/96/07/857889607.db2.gz LKGQOMQYOIVYMW-UHFFFAOYSA-N 1 2 408.454 4.500 20 5 HIBDLO NC(=O)c1ccc(C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C2CC2)c(F)c1 ZINC000430083136 858023774 /nfs/dbraw/zinc/02/37/74/858023774.db2.gz GPAYSKRVGUVBGD-UHFFFAOYSA-N 1 2 409.417 4.257 20 5 HIBDLO NC(=O)c1ccc(C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C2CC2)c(F)c1 ZINC000430083136 858023779 /nfs/dbraw/zinc/02/37/79/858023779.db2.gz GPAYSKRVGUVBGD-UHFFFAOYSA-N 1 2 409.417 4.257 20 5 HIBDLO C[C@@H](c1cccc(NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)c1)[NH+]1CCOCC1 ZINC000431217337 858511209 /nfs/dbraw/zinc/51/12/09/858511209.db2.gz RLYZANPOOJUOTK-INIZCTEOSA-N 1 2 412.490 4.045 20 5 HIBDLO O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000433962915 860005759 /nfs/dbraw/zinc/00/57/59/860005759.db2.gz SMTWESOXQQOGNK-UHFFFAOYSA-N 1 2 410.499 4.362 20 5 HIBDLO C[C@H]1[C@@H](c2ccccc2)CC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000434907126 860549862 /nfs/dbraw/zinc/54/98/62/860549862.db2.gz WBMJLHCBLHBEJK-BBRMVZONSA-N 1 2 418.291 4.174 20 5 HIBDLO C[C@H]1[C@@H](c2ccccc2)CC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000434907126 860549867 /nfs/dbraw/zinc/54/98/67/860549867.db2.gz WBMJLHCBLHBEJK-BBRMVZONSA-N 1 2 418.291 4.174 20 5 HIBDLO O=C(CCc1cccc([N+](=O)[O-])c1)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000435333163 860744051 /nfs/dbraw/zinc/74/40/51/860744051.db2.gz OCKCJZILCUTKCV-UHFFFAOYSA-N 1 2 412.877 4.106 20 5 HIBDLO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000439108365 864545849 /nfs/dbraw/zinc/54/58/49/864545849.db2.gz DMIFBTHGEPSZRJ-UHFFFAOYSA-N 1 2 400.822 4.084 20 5 HIBDLO Cc1c(NC(=O)CC[N@@H+]2CCCc3c4cccc(F)c4[nH]c3C2)cccc1[N+](=O)[O-] ZINC000439464683 864841726 /nfs/dbraw/zinc/84/17/26/864841726.db2.gz DQAJLFGXNIPRIC-UHFFFAOYSA-N 1 2 410.449 4.301 20 5 HIBDLO Cc1c(NC(=O)CC[N@H+]2CCCc3c4cccc(F)c4[nH]c3C2)cccc1[N+](=O)[O-] ZINC000439464683 864841734 /nfs/dbraw/zinc/84/17/34/864841734.db2.gz DQAJLFGXNIPRIC-UHFFFAOYSA-N 1 2 410.449 4.301 20 5 HIBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H](c1cccc(Cl)c1)c1ccccn1 ZINC000441019759 866086388 /nfs/dbraw/zinc/08/63/88/866086388.db2.gz YGLUDGYXMJONDZ-OAQYLSRUSA-N 1 2 410.861 4.269 20 5 HIBDLO CCO[C@H](C)c1nc(CN2CC[NH+]([C@H](C)c3ccccc3[N+](=O)[O-])CC2)cs1 ZINC000441357822 866427087 /nfs/dbraw/zinc/42/70/87/866427087.db2.gz NBDRNVMTGZKRTP-HZPDHXFCSA-N 1 2 404.536 4.028 20 5 HIBDLO C[C@H](c1nc(-c2cccs2)no1)N1CC[NH+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000441373110 866441580 /nfs/dbraw/zinc/44/15/80/866441580.db2.gz AICCJCRZRHIGKK-HUUCEWRRSA-N 1 2 413.503 4.146 20 5 HIBDLO O=C(c1ccccc1Sc1ccccc1[N+](=O)[O-])N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000442029657 867073851 /nfs/dbraw/zinc/07/38/51/867073851.db2.gz SHYWKYZMFCGUBN-UHFFFAOYSA-N 1 2 408.483 4.489 20 5 HIBDLO O=C(NCCc1cn2c([nH+]1)CCCC2)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000442280309 867304322 /nfs/dbraw/zinc/30/43/22/867304322.db2.gz ZKKDGOXCLVFDDA-UHFFFAOYSA-N 1 2 422.510 4.251 20 5 HIBDLO C[C@@H]([NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(Br)s1 ZINC000443338893 867912793 /nfs/dbraw/zinc/91/27/93/867912793.db2.gz XGLWNUQUBWGJHE-SECBINFHSA-N 1 2 409.265 4.320 20 5 HIBDLO O=C(Nc1c(F)cc(Br)cc1F)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000443883536 868420290 /nfs/dbraw/zinc/42/02/90/868420290.db2.gz UZGIBFKYNJUZLL-UHFFFAOYSA-N 1 2 423.173 4.074 20 5 HIBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000444173113 868648951 /nfs/dbraw/zinc/64/89/51/868648951.db2.gz SWZDEEIVQBUERK-NVXWUHKLSA-N 1 2 417.893 4.114 20 5 HIBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000444173113 868648957 /nfs/dbraw/zinc/64/89/57/868648957.db2.gz SWZDEEIVQBUERK-NVXWUHKLSA-N 1 2 417.893 4.114 20 5 HIBDLO O=[N+]([O-])c1ccc2[nH]c(NCc3ccccc3-c3ccc(Cn4cc[nH+]c4)cc3)nc2c1 ZINC000447690063 871623692 /nfs/dbraw/zinc/62/36/92/871623692.db2.gz AVIFJELWJPBQTH-UHFFFAOYSA-N 1 2 424.464 4.417 20 5 HIBDLO C[C@@H](Nc1ccc(C(=O)Nc2cccc3[nH+]ccn32)cc1[N+](=O)[O-])c1ccccn1 ZINC000460343434 872958272 /nfs/dbraw/zinc/95/82/72/872958272.db2.gz NJZIWRBKWCIXPX-CQSZACIVSA-N 1 2 402.414 4.063 20 5 HIBDLO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)c1 ZINC000460741035 873568106 /nfs/dbraw/zinc/56/81/06/873568106.db2.gz ZGDBVBDEFAXKSD-GOSISDBHSA-N 1 2 405.857 4.263 20 5 HIBDLO Cc1c(Cl)cc(S(=O)(=O)Nc2cccc3c2C[N@H+](C(C)C)C3)cc1[N+](=O)[O-] ZINC000461421885 874450607 /nfs/dbraw/zinc/45/06/07/874450607.db2.gz PHSOHCDDQMZSFL-UHFFFAOYSA-N 1 2 409.895 4.081 20 5 HIBDLO Cc1c(Cl)cc(S(=O)(=O)Nc2cccc3c2C[N@@H+](C(C)C)C3)cc1[N+](=O)[O-] ZINC000461421885 874450626 /nfs/dbraw/zinc/45/06/26/874450626.db2.gz PHSOHCDDQMZSFL-UHFFFAOYSA-N 1 2 409.895 4.081 20 5 HIBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000462495270 875608344 /nfs/dbraw/zinc/60/83/44/875608344.db2.gz KKEFATMMJVZAJB-HKUYNNGSSA-N 1 2 411.502 4.195 20 5 HIBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCC(F)(F)[C@@H](CO)C2)ccc1Oc1ccccc1Cl ZINC000462868804 875899284 /nfs/dbraw/zinc/89/92/84/875899284.db2.gz BYYXTMYMJYXUEZ-CQSZACIVSA-N 1 2 412.820 4.490 20 5 HIBDLO O=[N+]([O-])c1cc(C[N@H+]2CCC(F)(F)[C@@H](CO)C2)ccc1Oc1ccccc1Cl ZINC000462868804 875899286 /nfs/dbraw/zinc/89/92/86/875899286.db2.gz BYYXTMYMJYXUEZ-CQSZACIVSA-N 1 2 412.820 4.490 20 5 HIBDLO COc1cc(N2CC[NH+]([C@@H](C)c3ccc(Br)cc3)CC2)ccc1[N+](=O)[O-] ZINC000462907326 875932746 /nfs/dbraw/zinc/93/27/46/875932746.db2.gz FMXXZJPNPOZPDC-AWEZNQCLSA-N 1 2 420.307 4.249 20 5 HIBDLO COc1cc(C[N@H+](C)[C@@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2O)c([N+](=O)[O-])cc1F ZINC000463482306 876540048 /nfs/dbraw/zinc/54/00/48/876540048.db2.gz JJJQHUYMRSVOEY-FUHWJXTLSA-N 1 2 415.248 4.139 20 5 HIBDLO COc1cc(C[N@@H+](C)[C@@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2O)c([N+](=O)[O-])cc1F ZINC000463482306 876540061 /nfs/dbraw/zinc/54/00/61/876540061.db2.gz JJJQHUYMRSVOEY-FUHWJXTLSA-N 1 2 415.248 4.139 20 5 HIBDLO O=C(C[N@@H+]1CC[C@@H](CSc2ccccc2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000464762626 878005338 /nfs/dbraw/zinc/00/53/38/878005338.db2.gz LTVLHEKFUHSERT-CQSZACIVSA-N 1 2 405.907 4.301 20 5 HIBDLO O=C(C[N@H+]1CC[C@@H](CSc2ccccc2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000464762626 878005357 /nfs/dbraw/zinc/00/53/57/878005357.db2.gz LTVLHEKFUHSERT-CQSZACIVSA-N 1 2 405.907 4.301 20 5 HIBDLO Cc1sc(NC(=O)C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c(C)c1C ZINC000464783855 878029665 /nfs/dbraw/zinc/02/96/65/878029665.db2.gz RPSVIFRFIFSJIA-UHFFFAOYSA-N 1 2 403.504 4.063 20 5 HIBDLO CO[C@@H]1C[N@@H+]([C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CC[C@H]1C ZINC000467302602 881050502 /nfs/dbraw/zinc/05/05/02/881050502.db2.gz JFWCGFSLGHUIPP-JSNMRZPZSA-N 1 2 417.893 4.285 20 5 HIBDLO CO[C@@H]1C[N@H+]([C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CC[C@H]1C ZINC000467302602 881050521 /nfs/dbraw/zinc/05/05/21/881050521.db2.gz JFWCGFSLGHUIPP-JSNMRZPZSA-N 1 2 417.893 4.285 20 5 HIBDLO CO[C@@H]1C[N@@H+]([C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CC[C@H]1C ZINC000467302605 881050559 /nfs/dbraw/zinc/05/05/59/881050559.db2.gz JFWCGFSLGHUIPP-XMCHAPAWSA-N 1 2 417.893 4.285 20 5 HIBDLO CO[C@@H]1C[N@H+]([C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CC[C@H]1C ZINC000467302605 881050576 /nfs/dbraw/zinc/05/05/76/881050576.db2.gz JFWCGFSLGHUIPP-XMCHAPAWSA-N 1 2 417.893 4.285 20 5 HIBDLO C[C@H]1CCN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000469155288 883252801 /nfs/dbraw/zinc/25/28/01/883252801.db2.gz NAOLWVXCNQYMMW-YVEFUNNKSA-N 1 2 416.279 4.190 20 5 HIBDLO COc1cc(Br)ccc1[C@@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000469750983 883911922 /nfs/dbraw/zinc/91/19/22/883911922.db2.gz FXMDEBVQARTSAY-SNVBAGLBSA-N 1 2 406.236 4.358 20 5 HIBDLO CC[C@@H](c1ccc(Br)cc1)[NH+]1CCN(c2cc(C)c([N+](=O)[O-])cn2)CC1 ZINC000470865874 885356388 /nfs/dbraw/zinc/35/63/88/885356388.db2.gz UCRJQOOAGONNNL-KRWDZBQOSA-N 1 2 419.323 4.334 20 5 HIBDLO C[C@H]1OCC[C@]12C[N@H+](Cc1ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c1)CCO2 ZINC000475296455 890205219 /nfs/dbraw/zinc/20/52/19/890205219.db2.gz VBWPJUHSKOTKFO-VFNWGFHPSA-N 1 2 418.877 4.420 20 5 HIBDLO C[C@H]1OCC[C@]12C[N@@H+](Cc1ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c1)CCO2 ZINC000475296455 890205240 /nfs/dbraw/zinc/20/52/40/890205240.db2.gz VBWPJUHSKOTKFO-VFNWGFHPSA-N 1 2 418.877 4.420 20 5 HIBDLO O=C(NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1)c1ccc([N+](=O)[O-])o1 ZINC000504812785 913532800 /nfs/dbraw/zinc/53/28/00/913532800.db2.gz HQEABQNLNASOGS-UHFFFAOYSA-N 1 2 402.410 4.030 20 5 HIBDLO CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1)c1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000480262005 895669912 /nfs/dbraw/zinc/66/99/12/895669912.db2.gz XOKKYYMBDOKDHQ-RYUDHWBXSA-N 1 2 418.416 4.119 20 5 HIBDLO CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1)c1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000480262005 895669922 /nfs/dbraw/zinc/66/99/22/895669922.db2.gz XOKKYYMBDOKDHQ-RYUDHWBXSA-N 1 2 418.416 4.119 20 5 HIBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3nc(-c4c(F)cccc4F)cs3)C2)nc1 ZINC000480773766 896138672 /nfs/dbraw/zinc/13/86/72/896138672.db2.gz UBFQGSSQHXEVJK-GFCCVEGCSA-N 1 2 417.441 4.078 20 5 HIBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3nc(-c4c(F)cccc4F)cs3)C2)nc1 ZINC000480773766 896138689 /nfs/dbraw/zinc/13/86/89/896138689.db2.gz UBFQGSSQHXEVJK-GFCCVEGCSA-N 1 2 417.441 4.078 20 5 HIBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](CO)c1ccccc1OC(F)(F)F ZINC000483089503 898777380 /nfs/dbraw/zinc/77/73/80/898777380.db2.gz NKHJTTONIWDYMH-MRXNPFEDSA-N 1 2 414.380 4.104 20 5 HIBDLO NC(=O)c1ccc(C[NH2+]C2(c3cc(C(F)(F)F)ccc3Cl)CC2)c([N+](=O)[O-])c1 ZINC000484989758 900344051 /nfs/dbraw/zinc/34/40/51/900344051.db2.gz WEERZIRAEQXINQ-UHFFFAOYSA-N 1 2 413.783 4.145 20 5 HIBDLO CSc1cccc(C(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)c1[N+](=O)[O-] ZINC000485742100 900996767 /nfs/dbraw/zinc/99/67/67/900996767.db2.gz HLIKHWHAASFVEI-HUUCEWRRSA-N 1 2 415.515 4.178 20 5 HIBDLO CCO[C@H](C)c1nc(CN2CC[NH+]([C@@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)cs1 ZINC000490031783 903733295 /nfs/dbraw/zinc/73/32/95/903733295.db2.gz PNDPAKNBUIKCKL-DLBZAZTESA-N 1 2 418.563 4.336 20 5 HIBDLO O=[N+]([O-])c1cccc([C@@H]([NH2+]Cc2ccncc2OC[C@@H]2CCOC2)c2ccccc2)c1 ZINC000490364974 903957220 /nfs/dbraw/zinc/95/72/20/903957220.db2.gz IXZKUVUBDFSKFL-KOSHJBKYSA-N 1 2 419.481 4.284 20 5 HIBDLO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000490604065 904130582 /nfs/dbraw/zinc/13/05/82/904130582.db2.gz CKDPYGJFKCCMDZ-QAPCUYQASA-N 1 2 402.520 4.263 20 5 HIBDLO O=C(Nc1ccccc1OCCn1cc[nH+]c1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000494029517 905372392 /nfs/dbraw/zinc/37/23/92/905372392.db2.gz WJNIIXUEHOSQKT-UHFFFAOYSA-N 1 2 421.457 4.067 20 5 HIBDLO CC(C)(NC(=O)Nc1nc(C[NH+]2CCCCC2)cs1)c1ccccc1[N+](=O)[O-] ZINC000494446141 905730991 /nfs/dbraw/zinc/73/09/91/905730991.db2.gz UCSFIVSNTHITSZ-UHFFFAOYSA-N 1 2 403.508 4.094 20 5 HIBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000497484939 906966586 /nfs/dbraw/zinc/96/65/86/906966586.db2.gz FTXFQPJAFKIRNG-PKOBYXMFSA-N 1 2 421.469 4.160 20 5 HIBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000497484939 906966597 /nfs/dbraw/zinc/96/65/97/906966597.db2.gz FTXFQPJAFKIRNG-PKOBYXMFSA-N 1 2 421.469 4.160 20 5 HIBDLO C[N@@H+]1CCO[C@H]([C@@H](Nc2ccc3ncccc3c2[N+](=O)[O-])c2ccc(Cl)cc2)C1 ZINC000497514502 907004861 /nfs/dbraw/zinc/00/48/61/907004861.db2.gz DPRZCPADVJQNNE-PMACEKPBSA-N 1 2 412.877 4.280 20 5 HIBDLO C[N@H+]1CCO[C@H]([C@@H](Nc2ccc3ncccc3c2[N+](=O)[O-])c2ccc(Cl)cc2)C1 ZINC000497514502 907004871 /nfs/dbraw/zinc/00/48/71/907004871.db2.gz DPRZCPADVJQNNE-PMACEKPBSA-N 1 2 412.877 4.280 20 5 HIBDLO COc1cccc(C2CC[NH+]([C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CC2)c1 ZINC000498684471 908112933 /nfs/dbraw/zinc/11/29/33/908112933.db2.gz ZLRFSEHZHHBQGX-AWEZNQCLSA-N 1 2 417.893 4.463 20 5 HIBDLO CC[N@H+](CC(=O)Nc1ccccc1OC)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000507683791 916455622 /nfs/dbraw/zinc/45/56/22/916455622.db2.gz MTQWAYJCGOQWMU-UHFFFAOYSA-N 1 2 409.442 4.324 20 5 HIBDLO CC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000507683791 916455629 /nfs/dbraw/zinc/45/56/29/916455629.db2.gz MTQWAYJCGOQWMU-UHFFFAOYSA-N 1 2 409.442 4.324 20 5 HIBDLO Cc1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c(OCC(F)(F)F)c1 ZINC000508022579 916858762 /nfs/dbraw/zinc/85/87/62/916858762.db2.gz VMRAZUNISMLGJA-UHFFFAOYSA-N 1 2 420.347 4.282 20 5 HIBDLO C[C@@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000509020501 917774937 /nfs/dbraw/zinc/77/49/37/917774937.db2.gz DUFIYPUDCDOXFP-CYBMUJFWSA-N 1 2 412.396 4.371 20 5 HIBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@H](C)CC[C@@H]1c1ccccc1OC ZINC000510185088 918735577 /nfs/dbraw/zinc/73/55/77/918735577.db2.gz MBOUQGICOSLJBE-DNVCBOLYSA-N 1 2 413.474 4.024 20 5 HIBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@H](C)CC[C@@H]1c1ccccc1OC ZINC000510185088 918735587 /nfs/dbraw/zinc/73/55/87/918735587.db2.gz MBOUQGICOSLJBE-DNVCBOLYSA-N 1 2 413.474 4.024 20 5 HIBDLO Cn1ccnc1[C@@H]([NH2+]CCOc1ccccc1C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000513672524 921995837 /nfs/dbraw/zinc/99/58/37/921995837.db2.gz LETGCTJAMSVTRZ-SFHVURJKSA-N 1 2 420.391 4.105 20 5 HIBDLO Cn1ccnc1[C@@H]([NH2+]CCOc1ccccc1C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000513701994 922023388 /nfs/dbraw/zinc/02/33/88/922023388.db2.gz CGUIBMQTBJKMDH-NRFANRHFSA-N 1 2 408.502 4.384 20 5 HIBDLO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000515491356 923131392 /nfs/dbraw/zinc/13/13/92/923131392.db2.gz CTPZOXSHJKSJCS-UHFFFAOYSA-N 1 2 415.453 4.457 20 5 HIBDLO Cc1ccc(N(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C2CCCCC2)nc1 ZINC000518649877 927404940 /nfs/dbraw/zinc/40/49/40/927404940.db2.gz YCZIQCYLTBRXQB-UHFFFAOYSA-N 1 2 405.458 4.463 20 5 HIBDLO C[C@H](c1cccc(NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)c1)[NH+]1CCOCC1 ZINC000524553408 929683247 /nfs/dbraw/zinc/68/32/47/929683247.db2.gz LOVSAROXQDQSKK-CVEARBPZSA-N 1 2 415.515 4.107 20 5 HIBDLO Cc1cccn2cc(CC(=O)N(Cc3ccc([N+](=O)[O-])cc3)c3ccccc3)[nH+]c12 ZINC000525799068 930448640 /nfs/dbraw/zinc/44/86/40/930448640.db2.gz LGYOWHHUQAPCJS-UHFFFAOYSA-N 1 2 400.438 4.327 20 5 HIBDLO O=C(NCc1ccc([N+](=O)[O-])cc1)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000531481267 931072630 /nfs/dbraw/zinc/07/26/30/931072630.db2.gz AJZRLTSQGAHREK-GOSISDBHSA-N 1 2 420.872 4.024 20 5 HIBDLO CC[C@H]([NH2+]Cc1csc(CNC(=O)c2ccccc2)n1)c1cccc([N+](=O)[O-])c1 ZINC000531977649 931273420 /nfs/dbraw/zinc/27/34/20/931273420.db2.gz JHCOKVCRUSFIDO-IBGZPJMESA-N 1 2 410.499 4.222 20 5 HIBDLO C[N@@H+]1CC[C@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534394676 932420111 /nfs/dbraw/zinc/42/01/11/932420111.db2.gz VFWOXKOVUQLCRR-KXBFYZLASA-N 1 2 416.840 4.044 20 5 HIBDLO C[N@H+]1CC[C@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534394676 932420117 /nfs/dbraw/zinc/42/01/17/932420117.db2.gz VFWOXKOVUQLCRR-KXBFYZLASA-N 1 2 416.840 4.044 20 5 HIBDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)C1 ZINC000534407318 932428995 /nfs/dbraw/zinc/42/89/95/932428995.db2.gz XKNOXYTTZYNZMS-MRXNPFEDSA-N 1 2 408.483 4.109 20 5 HIBDLO CC(C)CCSc1ccc(C(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)cc1[N+](=O)[O-] ZINC000534436840 932449747 /nfs/dbraw/zinc/44/97/47/932449747.db2.gz PPMSLDBNAPGLRL-MRXNPFEDSA-N 1 2 402.520 4.096 20 5 HIBDLO Cc1nc(C(C)C)sc1[C@@H](C)[N@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000535213633 933019589 /nfs/dbraw/zinc/01/95/89/933019589.db2.gz YUFYQPDYDMMJDE-CQSZACIVSA-N 1 2 402.520 4.065 20 5 HIBDLO Cc1nc(C(C)C)sc1[C@@H](C)[N@@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000535213633 933019593 /nfs/dbraw/zinc/01/95/93/933019593.db2.gz YUFYQPDYDMMJDE-CQSZACIVSA-N 1 2 402.520 4.065 20 5 HIBDLO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000537398934 933757809 /nfs/dbraw/zinc/75/78/09/933757809.db2.gz NAOOSNUWCRVYQL-UHFFFAOYSA-N 1 2 414.531 4.412 20 5 HIBDLO CC[N@@H+]1CC[C@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538053497 938485395 /nfs/dbraw/zinc/48/53/95/938485395.db2.gz SECPBUVUHVJNEK-OALUTQOASA-N 1 2 420.872 4.022 20 5 HIBDLO CC[N@H+]1CC[C@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538053497 938485402 /nfs/dbraw/zinc/48/54/02/938485402.db2.gz SECPBUVUHVJNEK-OALUTQOASA-N 1 2 420.872 4.022 20 5 HIBDLO C[C@H]([NH2+]CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1c(F)cccc1F ZINC000538130416 938514957 /nfs/dbraw/zinc/51/49/57/938514957.db2.gz UNRJHNQMAQZWRP-NSHDSACASA-N 1 2 418.425 4.286 20 5 HIBDLO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000538573754 938653056 /nfs/dbraw/zinc/65/30/56/938653056.db2.gz MCLRZVXIJLVKED-CRAIPNDOSA-N 1 2 402.520 4.407 20 5 HIBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)Cc1cc(OC)c(OC)cc1SC ZINC000538718435 938689646 /nfs/dbraw/zinc/68/96/46/938689646.db2.gz RQGSHPAHABPNQA-UHFFFAOYSA-N 1 2 406.504 4.365 20 5 HIBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)Cc1cc(OC)c(OC)cc1SC ZINC000538718435 938689648 /nfs/dbraw/zinc/68/96/48/938689648.db2.gz RQGSHPAHABPNQA-UHFFFAOYSA-N 1 2 406.504 4.365 20 5 HIBDLO CC(=O)c1ccc(N2CC[NH+](Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)nc1 ZINC000538891737 938731265 /nfs/dbraw/zinc/73/12/65/938731265.db2.gz KKEOJDBKMXORLK-UHFFFAOYSA-N 1 2 422.510 4.243 20 5 HIBDLO CCOc1ccc([C@H](C)[NH2+]Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1OCC ZINC000539266559 938830161 /nfs/dbraw/zinc/83/01/61/938830161.db2.gz COAHFKOBPDVEAE-AWEZNQCLSA-N 1 2 412.446 4.293 20 5 HIBDLO C[C@@H]([NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1ccc(OCC2CC2)c(F)c1 ZINC000539324980 938841748 /nfs/dbraw/zinc/84/17/48/938841748.db2.gz FGTXQPLNHFMIMM-CYBMUJFWSA-N 1 2 412.421 4.424 20 5 HIBDLO CCOC(=O)c1nn(-c2ccccc2)cc1C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000539531084 938874138 /nfs/dbraw/zinc/87/41/38/938874138.db2.gz MTBDCUYLPYTWIT-INIZCTEOSA-N 1 2 408.458 4.116 20 5 HIBDLO COc1ccc(-c2ccc(C[N@@H+]3CCO[C@H](c4ccsc4)C3)o2)c([N+](=O)[O-])c1 ZINC000539849324 938956861 /nfs/dbraw/zinc/95/68/61/938956861.db2.gz GSWMOAYOICHVJA-FQEVSTJZSA-N 1 2 400.456 4.498 20 5 HIBDLO COc1ccc(-c2ccc(C[N@H+]3CCO[C@H](c4ccsc4)C3)o2)c([N+](=O)[O-])c1 ZINC000539849324 938956864 /nfs/dbraw/zinc/95/68/64/938956864.db2.gz GSWMOAYOICHVJA-FQEVSTJZSA-N 1 2 400.456 4.498 20 5 HIBDLO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3ccc(Oc4ccc(F)cc4)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000539901724 938973648 /nfs/dbraw/zinc/97/36/48/938973648.db2.gz QFFLVIMNKDZVND-SBHAEUEKSA-N 1 2 416.449 4.295 20 5 HIBDLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3ccc(Oc4ccc(F)cc4)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000539901724 938973652 /nfs/dbraw/zinc/97/36/52/938973652.db2.gz QFFLVIMNKDZVND-SBHAEUEKSA-N 1 2 416.449 4.295 20 5 HIBDLO O=C(C[NH2+]C1(c2c(Cl)cccc2Cl)CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000540428973 939245796 /nfs/dbraw/zinc/24/57/96/939245796.db2.gz BEUCFEPJEHLDOM-UHFFFAOYSA-N 1 2 406.269 4.070 20 5 HIBDLO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000540436466 939248848 /nfs/dbraw/zinc/24/88/48/939248848.db2.gz XVDMUUPWGVNSEL-UHFFFAOYSA-N 1 2 414.462 4.350 20 5 HIBDLO CC(C)[N@@H+]1CC[C@@H](NC(=O)c2csc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540802020 939378197 /nfs/dbraw/zinc/37/81/97/939378197.db2.gz YUNUHZJMUUMGFN-WBVHZDCISA-N 1 2 411.886 4.403 20 5 HIBDLO CC(C)[N@H+]1CC[C@@H](NC(=O)c2csc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540802020 939378202 /nfs/dbraw/zinc/37/82/02/939378202.db2.gz YUNUHZJMUUMGFN-WBVHZDCISA-N 1 2 411.886 4.403 20 5 HIBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](C)c1nc(C2CCCCC2)no1 ZINC000542623011 939849756 /nfs/dbraw/zinc/84/97/56/939849756.db2.gz YDXRBDIYIIATQF-CQSZACIVSA-N 1 2 401.467 4.013 20 5 HIBDLO O=[N+]([O-])c1ccc(-c2nc(C[NH2+][C@@H](CO)c3ccc(C(F)(F)F)cc3)co2)cc1 ZINC000542881660 939865157 /nfs/dbraw/zinc/86/51/57/939865157.db2.gz SUKGHSCCEMEVPO-KRWDZBQOSA-N 1 2 407.348 4.092 20 5 HIBDLO CC[C@H]([NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)c1nc(C(F)(F)F)cs1 ZINC000543497070 940084797 /nfs/dbraw/zinc/08/47/97/940084797.db2.gz SLYCGRXXGUFBIU-SKDRFNHKSA-N 1 2 402.398 4.138 20 5 HIBDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)c(C)c1 ZINC000544417100 940417960 /nfs/dbraw/zinc/41/79/60/940417960.db2.gz OLYUONIAQIABCG-KKSFZXQISA-N 1 2 410.449 4.208 20 5 HIBDLO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000544422346 940421516 /nfs/dbraw/zinc/42/15/16/940421516.db2.gz YFCLLECKVYNPFW-LLVKDONJSA-N 1 2 423.395 4.476 20 5 HIBDLO C[C@@H](C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1)c1ccc([N+](=O)[O-])cc1F ZINC000544507537 940460089 /nfs/dbraw/zinc/46/00/89/940460089.db2.gz YIURFESROAWKFQ-QWHCGFSZSA-N 1 2 406.483 4.165 20 5 HIBDLO C[C@@H](C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1)c1ccc([N+](=O)[O-])cc1F ZINC000544507537 940460100 /nfs/dbraw/zinc/46/01/00/940460100.db2.gz YIURFESROAWKFQ-QWHCGFSZSA-N 1 2 406.483 4.165 20 5 HIBDLO CC(C)(C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1)c1ccc([N+](=O)[O-])cc1F ZINC000545162415 940552772 /nfs/dbraw/zinc/55/27/72/940552772.db2.gz KOXNQMVLPNNLEX-UHFFFAOYSA-N 1 2 414.481 4.103 20 5 HIBDLO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])o2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000564029511 945358439 /nfs/dbraw/zinc/35/84/39/945358439.db2.gz LHBDWXFVMORTCM-RHSMWYFYSA-N 1 2 409.845 4.324 20 5 HIBDLO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])o2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000564029511 945358455 /nfs/dbraw/zinc/35/84/55/945358455.db2.gz LHBDWXFVMORTCM-RHSMWYFYSA-N 1 2 409.845 4.324 20 5 HIBDLO C[N@H+](C[C@H]1CCCO1)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000546935740 940918479 /nfs/dbraw/zinc/91/84/79/940918479.db2.gz TVQALDMVWUQQIH-APWZRJJASA-N 1 2 403.866 4.039 20 5 HIBDLO C[N@@H+](C[C@H]1CCCO1)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000546935740 940918481 /nfs/dbraw/zinc/91/84/81/940918481.db2.gz TVQALDMVWUQQIH-APWZRJJASA-N 1 2 403.866 4.039 20 5 HIBDLO Cc1cccn2cc(Cc3noc(-c4csc(-c5cccc([N+](=O)[O-])c5)n4)n3)[nH+]c12 ZINC000547097035 940994584 /nfs/dbraw/zinc/99/45/84/940994584.db2.gz UMXDTTZPDCOEIQ-UHFFFAOYSA-N 1 2 418.438 4.315 20 5 HIBDLO O=[N+]([O-])c1cc(-c2nc(-c3cccc(-n4cc[nH+]c4)c3)no2)ccc1N1CCCC1 ZINC000547103066 940996787 /nfs/dbraw/zinc/99/67/87/940996787.db2.gz BQGZJPMNSDZXGH-UHFFFAOYSA-N 1 2 402.414 4.098 20 5 HIBDLO Cn1ccnc1[C@@H]([NH2+]C[C@@H](c1ccccc1)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000552066345 941578525 /nfs/dbraw/zinc/57/85/25/941578525.db2.gz GHXWDUBVPDUJOZ-ROUUACIJSA-N 1 2 404.392 4.353 20 5 HIBDLO Cn1ccnc1[C@H]([NH2+]CCOc1cccc(Cl)c1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000556865233 942943080 /nfs/dbraw/zinc/94/30/80/942943080.db2.gz MHWRDOJMHWSKMV-GOSISDBHSA-N 1 2 421.284 4.393 20 5 HIBDLO C[C@@H](C[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)Oc1ccccc1Cl ZINC000556885891 942951103 /nfs/dbraw/zinc/95/11/03/942951103.db2.gz IWMJARQGXOSHSY-LIRRHRJNSA-N 1 2 400.866 4.128 20 5 HIBDLO CCOc1ccc([C@H](C)[NH2+]Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1OCC ZINC000557448804 943132566 /nfs/dbraw/zinc/13/25/66/943132566.db2.gz OKOOSKAOQIBPNY-AWEZNQCLSA-N 1 2 412.446 4.293 20 5 HIBDLO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](c1ccccc1)[NH+]1CCC2(CCO2)CC1 ZINC000558626854 943620513 /nfs/dbraw/zinc/62/05/13/943620513.db2.gz DJFAWNZGYFUVIA-LJQANCHMSA-N 1 2 415.877 4.183 20 5 HIBDLO COc1cc2c(cc1Cl)C[N@H+](Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)CC2 ZINC000560622955 944277453 /nfs/dbraw/zinc/27/74/53/944277453.db2.gz REMBEACGPGZMGW-UHFFFAOYSA-N 1 2 412.877 4.216 20 5 HIBDLO COc1cc2c(cc1Cl)C[N@@H+](Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)CC2 ZINC000560622955 944277459 /nfs/dbraw/zinc/27/74/59/944277459.db2.gz REMBEACGPGZMGW-UHFFFAOYSA-N 1 2 412.877 4.216 20 5 HIBDLO COc1cc(C[N@@H+]2C[C@]3(CCCO3)[C@H]2C2CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000560627279 944279828 /nfs/dbraw/zinc/27/98/28/944279828.db2.gz FEZOSWOBFACFQN-DNQXCXABSA-N 1 2 424.497 4.326 20 5 HIBDLO COc1cc(C[N@H+]2C[C@]3(CCCO3)[C@H]2C2CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000560627279 944279838 /nfs/dbraw/zinc/27/98/38/944279838.db2.gz FEZOSWOBFACFQN-DNQXCXABSA-N 1 2 424.497 4.326 20 5 HIBDLO Cc1cccc(-c2cnc(NC(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)s2)c1 ZINC000561742298 944774248 /nfs/dbraw/zinc/77/42/48/944774248.db2.gz OWRZDFMDXOPSCO-UHFFFAOYSA-N 1 2 405.439 4.465 20 5 HIBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCCN(c4ccccc4Cl)CC3)o2)cc1 ZINC000564129758 945392480 /nfs/dbraw/zinc/39/24/80/945392480.db2.gz RLFUEMRPXHXCHB-UHFFFAOYSA-N 1 2 413.865 4.011 20 5 HIBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCCN(c4ccccc4Cl)CC3)o2)cc1 ZINC000564129758 945392485 /nfs/dbraw/zinc/39/24/85/945392485.db2.gz RLFUEMRPXHXCHB-UHFFFAOYSA-N 1 2 413.865 4.011 20 5 HIBDLO C[C@@H](Oc1ccccc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(F)(F)F ZINC000564373079 945538437 /nfs/dbraw/zinc/53/84/37/945538437.db2.gz XRLMBZGZKPDWMJ-GFCCVEGCSA-N 1 2 420.347 4.362 20 5 HIBDLO CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000565926006 945934768 /nfs/dbraw/zinc/93/47/68/945934768.db2.gz MRIMILOHPIZSMK-OPURJYLOSA-N 1 2 421.419 4.067 20 5 HIBDLO CC[N@H+]1CC[C@H](NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000565926006 945934794 /nfs/dbraw/zinc/93/47/94/945934794.db2.gz MRIMILOHPIZSMK-OPURJYLOSA-N 1 2 421.419 4.067 20 5 HIBDLO O=C(CCNc1ccccc1[N+](=O)[O-])Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000436182970 861483398 /nfs/dbraw/zinc/48/33/98/861483398.db2.gz HQOKNQBSVUHPJO-UHFFFAOYSA-N 1 2 405.458 4.235 20 5 HIBDLO O=[N+]([O-])c1ccc(CSc2nnc(C[NH+]3CCCCC3)n2-c2ccccc2)cc1 ZINC000009877940 845599919 /nfs/dbraw/zinc/59/99/19/845599919.db2.gz GPUKUVGPWIZCKX-UHFFFAOYSA-N 1 2 409.515 4.454 20 5 HIBDLO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H](O)COc1cccc2ccccc21 ZINC000011013209 845743041 /nfs/dbraw/zinc/74/30/41/845743041.db2.gz UFJBHRJTMYIPBK-GOSISDBHSA-N 1 2 400.862 4.273 20 5 HIBDLO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H](O)COc1cccc2ccccc21 ZINC000011013209 845743046 /nfs/dbraw/zinc/74/30/46/845743046.db2.gz UFJBHRJTMYIPBK-GOSISDBHSA-N 1 2 400.862 4.273 20 5 HIBDLO O=[N+]([O-])c1ccccc1CSc1nnc(C[NH+]2CCCCC2)n1-c1ccccc1 ZINC000012135280 845855691 /nfs/dbraw/zinc/85/56/91/845855691.db2.gz MAZGVLZJTBNTSF-UHFFFAOYSA-N 1 2 409.515 4.454 20 5 HIBDLO CCOc1ccc2nc(NC(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)sc2c1 ZINC000014826252 845984396 /nfs/dbraw/zinc/98/43/96/845984396.db2.gz LAMCMJVIEXPGPE-UHFFFAOYSA-N 1 2 409.427 4.041 20 5 HIBDLO Cc1ccc(C(=O)C2CC[NH+]([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)c(C)c1 ZINC000026639439 847178619 /nfs/dbraw/zinc/17/86/19/847178619.db2.gz JFTXUXLPUDPFIW-KRWDZBQOSA-N 1 2 409.486 4.134 20 5 HIBDLO Cc1ccc(C(=O)C2CC[NH+]([C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)c(C)c1 ZINC000026640553 847179039 /nfs/dbraw/zinc/17/90/39/847179039.db2.gz ZHKGQWWWXXDEKJ-KRWDZBQOSA-N 1 2 409.486 4.134 20 5 HIBDLO Cc1ccc(C(=O)C2CC[NH+]([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)CC2)c(C)c1 ZINC000026645238 847180212 /nfs/dbraw/zinc/18/02/12/847180212.db2.gz FYDDKOBRKUVIDV-GOSISDBHSA-N 1 2 423.513 4.442 20 5 HIBDLO Cc1c(NC(=O)[C@@H](C)[N@H+](C)Cc2ccc(Br)s2)cccc1[N+](=O)[O-] ZINC000026814548 847201958 /nfs/dbraw/zinc/20/19/58/847201958.db2.gz YVRWOQDOLAHGDE-LLVKDONJSA-N 1 2 412.309 4.186 20 5 HIBDLO Cc1c(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccc(Br)s2)cccc1[N+](=O)[O-] ZINC000026814548 847201964 /nfs/dbraw/zinc/20/19/64/847201964.db2.gz YVRWOQDOLAHGDE-LLVKDONJSA-N 1 2 412.309 4.186 20 5 HIBDLO O=C(C[N@H+](Cc1cccs1)C1CC1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000027107422 847249488 /nfs/dbraw/zinc/24/94/88/847249488.db2.gz UWSBPWUOMRGFHS-UHFFFAOYSA-N 1 2 410.293 4.022 20 5 HIBDLO O=C(C[N@@H+](Cc1cccs1)C1CC1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000027107422 847249497 /nfs/dbraw/zinc/24/94/97/847249497.db2.gz UWSBPWUOMRGFHS-UHFFFAOYSA-N 1 2 410.293 4.022 20 5 HIBDLO CCOc1ccc(C(=O)N2CC[NH+](Cc3ccc(C(C)C)cc3)CC2)cc1[N+](=O)[O-] ZINC000028323061 847406565 /nfs/dbraw/zinc/40/65/65/847406565.db2.gz KJHOBDNVLKAZHD-UHFFFAOYSA-N 1 2 411.502 4.075 20 5 HIBDLO CN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1nc2ccc(Cl)cc2s1 ZINC000436458354 861811664 /nfs/dbraw/zinc/81/16/64/861811664.db2.gz HURMUYBGQUEHAA-UHFFFAOYSA-N 1 2 413.846 4.320 20 5 HIBDLO Cc1cc(C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000031895723 847962656 /nfs/dbraw/zinc/96/26/56/847962656.db2.gz AFUAACLXIRBJIV-SFHVURJKSA-N 1 2 405.857 4.263 20 5 HIBDLO C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C2CC2)o1 ZINC000041895161 848263113 /nfs/dbraw/zinc/26/31/13/848263113.db2.gz YLVVRINJJSPADA-KDOFPFPSSA-N 1 2 406.442 4.302 20 5 HIBDLO O=C(Nc1cccc(COCc2ccco2)c1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000046675711 848906880 /nfs/dbraw/zinc/90/68/80/848906880.db2.gz CRLDBQZYIVTAMC-UHFFFAOYSA-N 1 2 418.409 4.343 20 5 HIBDLO CN(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000046712846 848917130 /nfs/dbraw/zinc/91/71/30/848917130.db2.gz WYLDZPLWQVDQDB-UHFFFAOYSA-N 1 2 404.348 4.072 20 5 HIBDLO Cc1ccc(OC2CC[NH+](Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)CC2)cc1C ZINC000051992354 849536232 /nfs/dbraw/zinc/53/62/32/849536232.db2.gz KKOAHWUPPWBDIO-UHFFFAOYSA-N 1 2 408.458 4.305 20 5 HIBDLO COc1cc(C[N@H+](C)CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])ccc1SC ZINC000064344299 851875857 /nfs/dbraw/zinc/87/58/57/851875857.db2.gz GITULSRFBORVTJ-UHFFFAOYSA-N 1 2 409.895 4.049 20 5 HIBDLO COc1cc(C[N@@H+](C)CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])ccc1SC ZINC000064344299 851875865 /nfs/dbraw/zinc/87/58/65/851875865.db2.gz GITULSRFBORVTJ-UHFFFAOYSA-N 1 2 409.895 4.049 20 5 HIBDLO Cc1ccc(C[C@@H]2CCCN(C(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)C2)cc1 ZINC000065162776 852082294 /nfs/dbraw/zinc/08/22/94/852082294.db2.gz ISHSQCXZVKTSEN-IBGZPJMESA-N 1 2 404.470 4.184 20 5 HIBDLO COc1ccc(-c2ccc(C[NH2+][C@H]3CCCn4nc(C(C)C)nc43)o2)c([N+](=O)[O-])c1 ZINC000237426738 854030582 /nfs/dbraw/zinc/03/05/82/854030582.db2.gz XOOJJRKHFJXARN-KRWDZBQOSA-N 1 2 411.462 4.203 20 5 HIBDLO Cc1noc(C)c1C[NH+]1CCN(c2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000301079567 854289821 /nfs/dbraw/zinc/28/98/21/854289821.db2.gz JXFUDLTWIGTZQB-UHFFFAOYSA-N 1 2 418.803 4.194 20 5 HIBDLO Cc1ccc([N+](=O)[O-])c(C(=O)Nc2nc3c(s2)C[N@H+](Cc2ccccc2)CC3)c1 ZINC000303933910 855301839 /nfs/dbraw/zinc/30/18/39/855301839.db2.gz RFXLUGINMPWNIQ-UHFFFAOYSA-N 1 2 408.483 4.170 20 5 HIBDLO Cc1ccc([N+](=O)[O-])c(C(=O)Nc2nc3c(s2)C[N@@H+](Cc2ccccc2)CC3)c1 ZINC000303933910 855301841 /nfs/dbraw/zinc/30/18/41/855301841.db2.gz RFXLUGINMPWNIQ-UHFFFAOYSA-N 1 2 408.483 4.170 20 5 HIBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410267720 855892155 /nfs/dbraw/zinc/89/21/55/855892155.db2.gz SAANCTMFEAEMIS-HOTGVXAUSA-N 1 2 414.531 4.014 20 5 HIBDLO O=C(c1cccc(Cn2cc[nH+]c2)c1)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F ZINC000410319784 855926708 /nfs/dbraw/zinc/92/67/08/855926708.db2.gz WLQYJKCLFWKRHZ-UHFFFAOYSA-N 1 2 418.375 4.044 20 5 HIBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410330090 855932358 /nfs/dbraw/zinc/93/23/58/855932358.db2.gz WTDVKXSNJWGFHU-OALUTQOASA-N 1 2 410.518 4.103 20 5 HIBDLO Cc1cc(C[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)nc(N2CCCC2)n1 ZINC000426312350 856239175 /nfs/dbraw/zinc/23/91/75/856239175.db2.gz JBRCTXIBBQQFGN-QFIPXVFZSA-N 1 2 403.486 4.173 20 5 HIBDLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)c1ncc([N+](=O)[O-])cc1Cl ZINC000432065750 858963443 /nfs/dbraw/zinc/96/34/43/858963443.db2.gz ZEYZZZGNCOIERZ-UHFFFAOYSA-N 1 2 415.881 4.335 20 5 HIBDLO C[C@@H]1CC[N@H+](Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC[S@]1=O ZINC000433052403 859501995 /nfs/dbraw/zinc/50/19/95/859501995.db2.gz MFTOKKPDVCBZEM-LOKFHWFJSA-N 1 2 408.907 4.383 20 5 HIBDLO C[C@@H]1CC[N@@H+](Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC[S@]1=O ZINC000433052403 859502000 /nfs/dbraw/zinc/50/20/00/859502000.db2.gz MFTOKKPDVCBZEM-LOKFHWFJSA-N 1 2 408.907 4.383 20 5 HIBDLO COc1ccc([C@H]([NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)c2nccn2C)cc1 ZINC000433137493 859535833 /nfs/dbraw/zinc/53/58/33/859535833.db2.gz UCGVOZLVUNJJQX-RTWAWAEBSA-N 1 2 406.486 4.439 20 5 HIBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)Cc1ccc(F)c(Cl)c1 ZINC000433254551 859594785 /nfs/dbraw/zinc/59/47/85/859594785.db2.gz YEASPPVHYDJQLA-JTQLQIEISA-N 1 2 400.237 4.500 20 5 HIBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+](C)Cc1ccc(F)c(Cl)c1 ZINC000433254551 859594792 /nfs/dbraw/zinc/59/47/92/859594792.db2.gz YEASPPVHYDJQLA-JTQLQIEISA-N 1 2 400.237 4.500 20 5 HIBDLO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](c3cccc(Cl)c3)C2)c([N+](=O)[O-])c1 ZINC000433306131 859629255 /nfs/dbraw/zinc/62/92/55/859629255.db2.gz REQKORHCABGDJH-ZFWWWQNUSA-N 1 2 403.866 4.073 20 5 HIBDLO COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](c3cccc(Cl)c3)C2)c([N+](=O)[O-])c1 ZINC000433306131 859629262 /nfs/dbraw/zinc/62/92/62/859629262.db2.gz REQKORHCABGDJH-ZFWWWQNUSA-N 1 2 403.866 4.073 20 5 HIBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000434674215 860454847 /nfs/dbraw/zinc/45/48/47/860454847.db2.gz HAOQZLOFCKSTPP-AWEZNQCLSA-N 1 2 424.432 4.440 20 5 HIBDLO O=C(Nc1ccccc1OCCn1cc[nH+]c1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437777872 863096691 /nfs/dbraw/zinc/09/66/91/863096691.db2.gz RRUCTNUDJRPICJ-UHFFFAOYSA-N 1 2 421.457 4.067 20 5 HIBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](c1cccc(Cl)c1)c1ccccn1 ZINC000441015913 866084183 /nfs/dbraw/zinc/08/41/83/866084183.db2.gz LPADAEZEFSPAQR-OAQYLSRUSA-N 1 2 410.861 4.269 20 5 HIBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H](c1cccc(Cl)c1)c1ccccn1 ZINC000441017573 866084774 /nfs/dbraw/zinc/08/47/74/866084774.db2.gz QRRSMLPIUJPZPD-OAQYLSRUSA-N 1 2 410.861 4.269 20 5 HIBDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)CSc2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000441504011 866585082 /nfs/dbraw/zinc/58/50/82/866585082.db2.gz VLWLVRMIPQBGQP-HXUWFJFHSA-N 1 2 410.499 4.058 20 5 HIBDLO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](Oc3ccccc3Cl)C2)cccc1[N+](=O)[O-] ZINC000443657737 868260195 /nfs/dbraw/zinc/26/01/95/868260195.db2.gz UPEGVGKHFPQLOV-HUUCEWRRSA-N 1 2 403.866 4.037 20 5 HIBDLO Cc1c(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](Oc3ccccc3Cl)C2)cccc1[N+](=O)[O-] ZINC000443657737 868260215 /nfs/dbraw/zinc/26/02/15/868260215.db2.gz UPEGVGKHFPQLOV-HUUCEWRRSA-N 1 2 403.866 4.037 20 5 HIBDLO CC(C)(C)c1cccc2c1OCCN2C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000444488270 868853973 /nfs/dbraw/zinc/85/39/73/868853973.db2.gz QDDKDFFTCRYHQS-UHFFFAOYSA-N 1 2 406.442 4.117 20 5 HIBDLO Cc1c(NC(=O)CC[N@H+]2C[C@H](c3cccc(Cl)c3)OC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000444699795 868964124 /nfs/dbraw/zinc/96/41/24/868964124.db2.gz FCBFWJWYIFMSRA-VBKZILBWSA-N 1 2 417.893 4.347 20 5 HIBDLO Cc1c(NC(=O)CC[N@@H+]2C[C@H](c3cccc(Cl)c3)OC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000444699795 868964127 /nfs/dbraw/zinc/96/41/27/868964127.db2.gz FCBFWJWYIFMSRA-VBKZILBWSA-N 1 2 417.893 4.347 20 5 HIBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@H](c2cccc(Cl)c2)OC[C@@H]1C ZINC000444725436 868978161 /nfs/dbraw/zinc/97/81/61/868978161.db2.gz MWKFFHHCWOMHSL-MGPUTAFESA-N 1 2 417.893 4.347 20 5 HIBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@H](c2cccc(Cl)c2)OC[C@@H]1C ZINC000444725436 868978167 /nfs/dbraw/zinc/97/81/67/868978167.db2.gz MWKFFHHCWOMHSL-MGPUTAFESA-N 1 2 417.893 4.347 20 5 HIBDLO C[C@H]([NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(Br)s1 ZINC000444769693 868993777 /nfs/dbraw/zinc/99/37/77/868993777.db2.gz XGLWNUQUBWGJHE-VIFPVBQESA-N 1 2 409.265 4.320 20 5 HIBDLO Cc1cccc2nc(C3CC[NH+](CC(=O)Nc4ccc([N+](=O)[O-])cc4C)CC3)oc21 ZINC000444767582 868993799 /nfs/dbraw/zinc/99/37/99/868993799.db2.gz UALFEPPQZCLAPM-UHFFFAOYSA-N 1 2 408.458 4.171 20 5 HIBDLO O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1NCc1cccc(-n2cc[nH+]c2)c1 ZINC000447687484 871619805 /nfs/dbraw/zinc/61/98/05/871619805.db2.gz UOGMOQNNRWVBER-UHFFFAOYSA-N 1 2 413.306 4.442 20 5 HIBDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000462224834 875333876 /nfs/dbraw/zinc/33/38/76/875333876.db2.gz UGIUENIPNUIUTO-KRWDZBQOSA-N 1 2 416.547 4.067 20 5 HIBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000462760561 875824796 /nfs/dbraw/zinc/82/47/96/875824796.db2.gz JUCDGWDQVHHBFH-LPTQZCDUSA-N 1 2 417.456 4.003 20 5 HIBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000462760561 875824806 /nfs/dbraw/zinc/82/48/06/875824806.db2.gz JUCDGWDQVHHBFH-LPTQZCDUSA-N 1 2 417.456 4.003 20 5 HIBDLO CCOc1cc(C[N@H+](C)Cc2cc(OC)c(F)cc2[N+](=O)[O-])ccc1OC(F)F ZINC000463489966 876548880 /nfs/dbraw/zinc/54/88/80/876548880.db2.gz KBQFSKSTMUQKHY-UHFFFAOYSA-N 1 2 414.380 4.375 20 5 HIBDLO CCOc1cc(C[N@@H+](C)Cc2cc(OC)c(F)cc2[N+](=O)[O-])ccc1OC(F)F ZINC000463489966 876548888 /nfs/dbraw/zinc/54/88/88/876548888.db2.gz KBQFSKSTMUQKHY-UHFFFAOYSA-N 1 2 414.380 4.375 20 5 HIBDLO O=C(NCCNc1ccc([N+](=O)[O-])cc1)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000463691388 876811471 /nfs/dbraw/zinc/81/14/71/876811471.db2.gz RAMDKEBLGZFWJD-UHFFFAOYSA-N 1 2 420.473 4.028 20 5 HIBDLO C[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)Cc1nccn1Cc1ccccc1 ZINC000464731313 877967757 /nfs/dbraw/zinc/96/77/57/877967757.db2.gz HHDHBAVKCAFEMA-UHFFFAOYSA-N 1 2 417.469 4.169 20 5 HIBDLO C[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)Cc1nccn1Cc1ccccc1 ZINC000464731313 877967763 /nfs/dbraw/zinc/96/77/63/877967763.db2.gz HHDHBAVKCAFEMA-UHFFFAOYSA-N 1 2 417.469 4.169 20 5 HIBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCN(C(=O)Cc2cccc(Cl)c2)[C@H](C)C1 ZINC000464764826 878007989 /nfs/dbraw/zinc/00/79/89/878007989.db2.gz ITSAEMZIDMTSJV-CVEARBPZSA-N 1 2 401.894 4.085 20 5 HIBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCN(C(=O)Cc2cccc(Cl)c2)[C@H](C)C1 ZINC000464764826 878008009 /nfs/dbraw/zinc/00/80/09/878008009.db2.gz ITSAEMZIDMTSJV-CVEARBPZSA-N 1 2 401.894 4.085 20 5 HIBDLO Cc1ccc(Cl)cc1NC(=O)[C@H](C)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464770531 878011714 /nfs/dbraw/zinc/01/17/14/878011714.db2.gz BTENDNTXDKXZQW-HNNXBMFYSA-N 1 2 417.893 4.427 20 5 HIBDLO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](c1ccccc1)[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000464844790 878118033 /nfs/dbraw/zinc/11/80/33/878118033.db2.gz CDPJYIDCVFRXAL-PZJWPPBQSA-N 1 2 415.877 4.040 20 5 HIBDLO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](c1ccccc1)[N@H+]1CC[C@@]2(CCOC2)C1 ZINC000464844790 878118044 /nfs/dbraw/zinc/11/80/44/878118044.db2.gz CDPJYIDCVFRXAL-PZJWPPBQSA-N 1 2 415.877 4.040 20 5 HIBDLO CC(C)[N@H+](CC(=O)Nc1nc(-c2ccco2)cs1)Cc1ccc([N+](=O)[O-])cc1 ZINC000464865269 878146793 /nfs/dbraw/zinc/14/67/93/878146793.db2.gz FLIUDWZGMHCOIN-UHFFFAOYSA-N 1 2 400.460 4.160 20 5 HIBDLO CC(C)[N@@H+](CC(=O)Nc1nc(-c2ccco2)cs1)Cc1ccc([N+](=O)[O-])cc1 ZINC000464865269 878146810 /nfs/dbraw/zinc/14/68/10/878146810.db2.gz FLIUDWZGMHCOIN-UHFFFAOYSA-N 1 2 400.460 4.160 20 5 HIBDLO O=C(c1cc([N+](=O)[O-])ccc1Oc1ccccc1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000469437273 883624862 /nfs/dbraw/zinc/62/48/62/883624862.db2.gz WPGGFRBRLFEMDD-IBGZPJMESA-N 1 2 405.410 4.076 20 5 HIBDLO C[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)Cc1cccc(OC(F)(F)F)c1 ZINC000470022637 884240162 /nfs/dbraw/zinc/24/01/62/884240162.db2.gz OWRDCAPDGDJRHV-UHFFFAOYSA-N 1 2 408.336 4.175 20 5 HIBDLO C[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)Cc1cccc(OC(F)(F)F)c1 ZINC000470022637 884240181 /nfs/dbraw/zinc/24/01/81/884240181.db2.gz OWRDCAPDGDJRHV-UHFFFAOYSA-N 1 2 408.336 4.175 20 5 HIBDLO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]Cc3ncnn3-c3ccccc3)o2)c(Cl)c1 ZINC000475284884 890182686 /nfs/dbraw/zinc/18/26/86/890182686.db2.gz KSNKUCRUBKVDLO-UHFFFAOYSA-N 1 2 409.833 4.379 20 5 HIBDLO COC(=O)c1nc([C@@H]2CCC[N@@H+]2C/C(C)=C\c2cccc([N+](=O)[O-])c2)sc1C ZINC000475331386 890250977 /nfs/dbraw/zinc/25/09/77/890250977.db2.gz LFPANCBCBWHLFF-QFSNBGPKSA-N 1 2 401.488 4.387 20 5 HIBDLO COC(=O)c1nc([C@@H]2CCC[N@H+]2C/C(C)=C\c2cccc([N+](=O)[O-])c2)sc1C ZINC000475331386 890250997 /nfs/dbraw/zinc/25/09/97/890250997.db2.gz LFPANCBCBWHLFF-QFSNBGPKSA-N 1 2 401.488 4.387 20 5 HIBDLO C[C@H]1C[N@H+](Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C[C@]2(CCOC2)O1 ZINC000475630712 890570650 /nfs/dbraw/zinc/57/06/50/890570650.db2.gz IKTKQWVNALMKRJ-BTYIYWSLSA-N 1 2 418.877 4.420 20 5 HIBDLO C[C@H]1C[N@@H+](Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C[C@]2(CCOC2)O1 ZINC000475630712 890570659 /nfs/dbraw/zinc/57/06/59/890570659.db2.gz IKTKQWVNALMKRJ-BTYIYWSLSA-N 1 2 418.877 4.420 20 5 HIBDLO CC1(C)C[N@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C[C@@]2(CCOC2)O1 ZINC000475632911 890572701 /nfs/dbraw/zinc/57/27/01/890572701.db2.gz FEBHZGHUTDKOLO-JOCHJYFZSA-N 1 2 416.449 4.296 20 5 HIBDLO CC1(C)C[N@@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C[C@@]2(CCOC2)O1 ZINC000475632911 890572708 /nfs/dbraw/zinc/57/27/08/890572708.db2.gz FEBHZGHUTDKOLO-JOCHJYFZSA-N 1 2 416.449 4.296 20 5 HIBDLO CC(C)(C)c1ccc(-c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)cc1[N+](=O)[O-] ZINC000504833792 913554580 /nfs/dbraw/zinc/55/45/80/913554580.db2.gz OZPYDKRUTJPXMT-UHFFFAOYSA-N 1 2 422.485 4.442 20 5 HIBDLO CN(CCc1cccc2ccccc21)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000505157054 913848109 /nfs/dbraw/zinc/84/81/09/913848109.db2.gz ROQNPFPWWUVSLT-UHFFFAOYSA-N 1 2 400.438 4.248 20 5 HIBDLO CCOc1cc(N2CC[NH+](Cc3nc(-c4ccccc4)oc3C)CC2)ccc1[N+](=O)[O-] ZINC000482889084 898506155 /nfs/dbraw/zinc/50/61/55/898506155.db2.gz SZLOVEWZTGFGHB-UHFFFAOYSA-N 1 2 422.485 4.279 20 5 HIBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](CO)c1ccccc1OC(F)(F)F ZINC000483089102 898776907 /nfs/dbraw/zinc/77/69/07/898776907.db2.gz NKHJTTONIWDYMH-INIZCTEOSA-N 1 2 414.380 4.104 20 5 HIBDLO CC[C@](C)([NH2+]Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-])c1nccs1 ZINC000505600934 914306774 /nfs/dbraw/zinc/30/67/74/914306774.db2.gz AAMXAZNULIEDOR-KRWDZBQOSA-N 1 2 401.435 4.119 20 5 HIBDLO COc1cccc(C[N@H+](C)Cc2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])c1 ZINC000505668322 914366545 /nfs/dbraw/zinc/36/65/45/914366545.db2.gz YTMMQPBCEKKHRW-UHFFFAOYSA-N 1 2 414.380 4.185 20 5 HIBDLO COc1cccc(C[N@@H+](C)Cc2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])c1 ZINC000505668322 914366553 /nfs/dbraw/zinc/36/65/53/914366553.db2.gz YTMMQPBCEKKHRW-UHFFFAOYSA-N 1 2 414.380 4.185 20 5 HIBDLO CSc1cccc(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)c1[N+](=O)[O-] ZINC000485894204 901127551 /nfs/dbraw/zinc/12/75/51/901127551.db2.gz AEWWPCSSIVQYFJ-GFCCVEGCSA-N 1 2 406.533 4.257 20 5 HIBDLO CSc1cccc(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)c1[N+](=O)[O-] ZINC000485894204 901127559 /nfs/dbraw/zinc/12/75/59/901127559.db2.gz AEWWPCSSIVQYFJ-GFCCVEGCSA-N 1 2 406.533 4.257 20 5 HIBDLO Cc1ccnc(-c2n[nH]c([C@@H](C)[NH2+]Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)n2)c1 ZINC000486807335 901865700 /nfs/dbraw/zinc/86/57/00/901865700.db2.gz DQPHSMRYFXOEKO-CQSZACIVSA-N 1 2 404.430 4.194 20 5 HIBDLO O=C(Nc1cccc(Cl)c1Br)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000486834280 901885240 /nfs/dbraw/zinc/88/52/40/901885240.db2.gz OLVSBYBTAMSJNN-UHFFFAOYSA-N 1 2 421.638 4.449 20 5 HIBDLO C[N@@H+]1CC[C@H](NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000489534881 903445484 /nfs/dbraw/zinc/44/54/84/903445484.db2.gz FENWKTJYXYUIIH-PKOBYXMFSA-N 1 2 419.884 4.227 20 5 HIBDLO C[N@H+]1CC[C@H](NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000489534881 903445489 /nfs/dbraw/zinc/44/54/89/903445489.db2.gz FENWKTJYXYUIIH-PKOBYXMFSA-N 1 2 419.884 4.227 20 5 HIBDLO C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000490816675 904262299 /nfs/dbraw/zinc/26/22/99/904262299.db2.gz DJDIJCNIKHRCOC-CQSZACIVSA-N 1 2 403.429 4.057 20 5 HIBDLO C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000490816675 904262309 /nfs/dbraw/zinc/26/23/09/904262309.db2.gz DJDIJCNIKHRCOC-CQSZACIVSA-N 1 2 403.429 4.057 20 5 HIBDLO O=C(C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)Nc1ccc(Br)cc1F ZINC000490816595 904262345 /nfs/dbraw/zinc/26/23/45/904262345.db2.gz CRDMRWDAWAIGHX-UHFFFAOYSA-N 1 2 422.254 4.100 20 5 HIBDLO O=C(C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)Nc1ccc(Br)cc1F ZINC000490816595 904262358 /nfs/dbraw/zinc/26/23/58/904262358.db2.gz CRDMRWDAWAIGHX-UHFFFAOYSA-N 1 2 422.254 4.100 20 5 HIBDLO C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000490816674 904262999 /nfs/dbraw/zinc/26/29/99/904262999.db2.gz DJDIJCNIKHRCOC-AWEZNQCLSA-N 1 2 403.429 4.057 20 5 HIBDLO C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000490816674 904263010 /nfs/dbraw/zinc/26/30/10/904263010.db2.gz DJDIJCNIKHRCOC-AWEZNQCLSA-N 1 2 403.429 4.057 20 5 HIBDLO CCOc1cc(C[N@@H+]2CCC[C@H](NC(=O)c3cc4ccccc4o3)C2)ccc1[N+](=O)[O-] ZINC000492697978 904891064 /nfs/dbraw/zinc/89/10/64/904891064.db2.gz SNBLWZQNQHZORJ-SFHVURJKSA-N 1 2 423.469 4.134 20 5 HIBDLO CCOc1cc(C[N@H+]2CCC[C@H](NC(=O)c3cc4ccccc4o3)C2)ccc1[N+](=O)[O-] ZINC000492697978 904891068 /nfs/dbraw/zinc/89/10/68/904891068.db2.gz SNBLWZQNQHZORJ-SFHVURJKSA-N 1 2 423.469 4.134 20 5 HIBDLO COc1ccc(C[N@H+](C)Cc2cc([N+](=O)[O-])ccc2OC(F)F)cc1OC(F)F ZINC000506233545 914855595 /nfs/dbraw/zinc/85/55/95/914855595.db2.gz HGIJBFUBQQIBDV-UHFFFAOYSA-N 1 2 418.343 4.438 20 5 HIBDLO COc1ccc(C[N@@H+](C)Cc2cc([N+](=O)[O-])ccc2OC(F)F)cc1OC(F)F ZINC000506233545 914855596 /nfs/dbraw/zinc/85/55/96/914855596.db2.gz HGIJBFUBQQIBDV-UHFFFAOYSA-N 1 2 418.343 4.438 20 5 HIBDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)NC(C)(C)c3ccccc3[N+](=O)[O-])n2)C1 ZINC000494445327 905729244 /nfs/dbraw/zinc/72/92/44/905729244.db2.gz QCSTURYSADMNQW-CQSZACIVSA-N 1 2 417.535 4.340 20 5 HIBDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)NC(C)(C)c3ccccc3[N+](=O)[O-])n2)C1 ZINC000494445327 905729265 /nfs/dbraw/zinc/72/92/65/905729265.db2.gz QCSTURYSADMNQW-CQSZACIVSA-N 1 2 417.535 4.340 20 5 HIBDLO O=[N+]([O-])c1ccccc1OCCN1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000498916929 908325822 /nfs/dbraw/zinc/32/58/22/908325822.db2.gz TZMMXMWPWFHYBH-UHFFFAOYSA-N 1 2 424.328 4.141 20 5 HIBDLO O=[N+]([O-])c1ccccc1OCC[NH+]1CCN(CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000498916929 908325844 /nfs/dbraw/zinc/32/58/44/908325844.db2.gz TZMMXMWPWFHYBH-UHFFFAOYSA-N 1 2 424.328 4.141 20 5 HIBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1c(OC)cccc1OC(F)(F)F ZINC000513001704 921468699 /nfs/dbraw/zinc/46/86/99/921468699.db2.gz LYMOEVAANSMCDH-UHFFFAOYSA-N 1 2 400.353 4.191 20 5 HIBDLO Cc1occc1C(=O)N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000500733716 910047521 /nfs/dbraw/zinc/04/75/21/910047521.db2.gz YOTCXNPENXUVAL-UHFFFAOYSA-N 1 2 411.483 4.183 20 5 HIBDLO O=[N+]([O-])c1cc(C[NH2+][C@H](CC(F)(F)F)c2ccc(F)cc2)c2c(c1)COCO2 ZINC000507833729 916636832 /nfs/dbraw/zinc/63/68/32/916636832.db2.gz OLDSAXUADKJBFO-MRXNPFEDSA-N 1 2 400.328 4.384 20 5 HIBDLO COc1ccc(-c2ccc(CNc3ccc(Cn4cc[nH+]c4)cn3)o2)c([N+](=O)[O-])c1 ZINC000508516496 917301010 /nfs/dbraw/zinc/30/10/10/917301010.db2.gz OIGJMDHXTPDREM-UHFFFAOYSA-N 1 2 405.414 4.115 20 5 HIBDLO COC(=O)C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C(C)C ZINC000508747830 917505328 /nfs/dbraw/zinc/50/53/28/917505328.db2.gz PCKOJPWVRUOFBL-UHFFFAOYSA-N 1 2 411.252 4.001 20 5 HIBDLO COC(=O)C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C(C)C ZINC000508747830 917505336 /nfs/dbraw/zinc/50/53/36/917505336.db2.gz PCKOJPWVRUOFBL-UHFFFAOYSA-N 1 2 411.252 4.001 20 5 HIBDLO COc1cc(C[N@@H+]2CCC[C@@H]2c2cc(C)no2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000509814763 918417667 /nfs/dbraw/zinc/41/76/67/918417667.db2.gz VUPVTLBVGMQAFX-CYBMUJFWSA-N 1 2 415.368 4.178 20 5 HIBDLO COc1cc(C[N@H+]2CCC[C@@H]2c2cc(C)no2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000509814763 918417674 /nfs/dbraw/zinc/41/76/74/918417674.db2.gz VUPVTLBVGMQAFX-CYBMUJFWSA-N 1 2 415.368 4.178 20 5 HIBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH+]2CCC(OCCc3ccccc3)CC2)c1 ZINC000510371020 918858724 /nfs/dbraw/zinc/85/87/24/918858724.db2.gz AFDLJQWIIJICHN-UHFFFAOYSA-N 1 2 406.429 4.420 20 5 HIBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC([C@@H](F)c2ccccc2F)CC1 ZINC000511097219 919701919 /nfs/dbraw/zinc/70/19/19/919701919.db2.gz UVAICKSDPGTPIQ-JLTOFOAXSA-N 1 2 403.429 4.484 20 5 HIBDLO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CCN(Cc4cscn4)CC3)o2)c(Cl)c1 ZINC000511536848 920158002 /nfs/dbraw/zinc/15/80/02/920158002.db2.gz LEQPBAVSZBNKFL-UHFFFAOYSA-N 1 2 418.906 4.283 20 5 HIBDLO CN1CC[NH+](Cc2cccc(NC(=O)c3cc4ccccc4c4cccnc34)c2)CC1 ZINC000512116372 920869588 /nfs/dbraw/zinc/86/95/88/920869588.db2.gz SXYRKIBMPWQDEQ-UHFFFAOYSA-N 1 2 410.521 4.388 20 5 HIBDLO O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CC[NH2+][C@@H](c2cccc(Cl)c2)C1 ZINC000513991375 922313873 /nfs/dbraw/zinc/31/38/73/922313873.db2.gz GBSOLUWBEPWCBS-MRXNPFEDSA-N 1 2 413.783 4.054 20 5 HIBDLO Cc1ccc(S(=O)(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)cc1[N+](=O)[O-] ZINC000517489959 924225969 /nfs/dbraw/zinc/22/59/69/924225969.db2.gz YTSOXEGEQIGMRU-UHFFFAOYSA-N 1 2 414.487 4.072 20 5 HIBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000520838492 928838942 /nfs/dbraw/zinc/83/89/42/928838942.db2.gz CNSKVYAHWKNRDH-GOSISDBHSA-N 1 2 405.857 4.263 20 5 HIBDLO COc1ccc(-c2ccc(C[NH2+]Cc3ccn(-c4ccccc4)n3)o2)c([N+](=O)[O-])c1 ZINC000521828472 929482505 /nfs/dbraw/zinc/48/25/05/929482505.db2.gz FHGDYGTZLRMEEM-UHFFFAOYSA-N 1 2 404.426 4.339 20 5 HIBDLO C[C@H](NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000532852920 931664560 /nfs/dbraw/zinc/66/45/60/931664560.db2.gz UWSCTMOGAJFPMQ-GESALYCCSA-N 1 2 420.872 4.193 20 5 HIBDLO C[C@H](NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000532852920 931664563 /nfs/dbraw/zinc/66/45/63/931664563.db2.gz UWSCTMOGAJFPMQ-GESALYCCSA-N 1 2 420.872 4.193 20 5 HIBDLO C[C@H](NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000532852922 931665389 /nfs/dbraw/zinc/66/53/89/931665389.db2.gz UWSCTMOGAJFPMQ-RQUSPXKASA-N 1 2 420.872 4.193 20 5 HIBDLO C[C@H](NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000532852922 931665394 /nfs/dbraw/zinc/66/53/94/931665394.db2.gz UWSCTMOGAJFPMQ-RQUSPXKASA-N 1 2 420.872 4.193 20 5 HIBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@H](c2ccccc2Cl)OC[C@H]1C ZINC000532981968 931726170 /nfs/dbraw/zinc/72/61/70/931726170.db2.gz MEDNXCCHVJXZFL-FOIQADDNSA-N 1 2 417.893 4.347 20 5 HIBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H](c2ccccc2Cl)OC[C@H]1C ZINC000532981968 931726174 /nfs/dbraw/zinc/72/61/74/931726174.db2.gz MEDNXCCHVJXZFL-FOIQADDNSA-N 1 2 417.893 4.347 20 5 HIBDLO C[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000533682689 931968368 /nfs/dbraw/zinc/96/83/68/931968368.db2.gz UIOSHXGUDOFUAJ-SJORKVTESA-N 1 2 412.248 4.216 20 5 HIBDLO C[N@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000533682689 931968370 /nfs/dbraw/zinc/96/83/70/931968370.db2.gz UIOSHXGUDOFUAJ-SJORKVTESA-N 1 2 412.248 4.216 20 5 HIBDLO O=C(c1ccc(F)cc1)[C@@H]1CCC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000534123181 932288817 /nfs/dbraw/zinc/28/88/17/932288817.db2.gz GFKYMFLKLSXJFJ-QGZVFWFLSA-N 1 2 409.417 4.484 20 5 HIBDLO O=C(c1ccc(F)cc1)[C@@H]1CCC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000534123181 932288826 /nfs/dbraw/zinc/28/88/26/932288826.db2.gz GFKYMFLKLSXJFJ-QGZVFWFLSA-N 1 2 409.417 4.484 20 5 HIBDLO CCCOc1ccc([C@H](C)[NH2+]Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1OC ZINC000538152807 938524753 /nfs/dbraw/zinc/52/47/53/938524753.db2.gz JUXHXYBNOCVOLN-AWEZNQCLSA-N 1 2 412.446 4.293 20 5 HIBDLO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000538573763 938653003 /nfs/dbraw/zinc/65/30/03/938653003.db2.gz MCLRZVXIJLVKED-QAPCUYQASA-N 1 2 402.520 4.407 20 5 HIBDLO C[C@@H]([NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1ccc(Br)cc1 ZINC000539245686 938824925 /nfs/dbraw/zinc/82/49/25/938824925.db2.gz DCNDXAOMFSSGHO-LLVKDONJSA-N 1 2 403.236 4.258 20 5 HIBDLO C[C@H]([NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1ccc(OCC2CC2)c(F)c1 ZINC000539324990 938841725 /nfs/dbraw/zinc/84/17/25/938841725.db2.gz FGTXQPLNHFMIMM-ZDUSSCGKSA-N 1 2 412.421 4.424 20 5 HIBDLO Cc1cc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)nn1-c1cccc(Cl)c1 ZINC000539689695 938902378 /nfs/dbraw/zinc/90/23/78/938902378.db2.gz PLYSCRNCMUSHAF-UHFFFAOYSA-N 1 2 422.832 4.180 20 5 HIBDLO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000539722015 938912893 /nfs/dbraw/zinc/91/28/93/938912893.db2.gz XSVCBFAJIDFITA-UHFFFAOYSA-N 1 2 406.533 4.184 20 5 HIBDLO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000539722015 938912894 /nfs/dbraw/zinc/91/28/94/938912894.db2.gz XSVCBFAJIDFITA-UHFFFAOYSA-N 1 2 406.533 4.184 20 5 HIBDLO CC(C)[N@@H+]1CC[C@H](NC(=O)c2csc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540802017 939377568 /nfs/dbraw/zinc/37/75/68/939377568.db2.gz YUNUHZJMUUMGFN-DOTOQJQBSA-N 1 2 411.886 4.403 20 5 HIBDLO CC(C)[N@H+]1CC[C@H](NC(=O)c2csc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540802017 939377570 /nfs/dbraw/zinc/37/75/70/939377570.db2.gz YUNUHZJMUUMGFN-DOTOQJQBSA-N 1 2 411.886 4.403 20 5 HIBDLO C[C@@H](C(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1)c1ccc([N+](=O)[O-])cc1F ZINC000542688324 939854195 /nfs/dbraw/zinc/85/41/95/939854195.db2.gz BAZRUOOEMFZDDZ-CYBMUJFWSA-N 1 2 406.483 4.165 20 5 HIBDLO COc1cccc([C@@H]2C[C@@H](C)CN2C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1 ZINC000543373596 940045590 /nfs/dbraw/zinc/04/55/90/940045590.db2.gz VDYZNZVFWSXMKK-QRWLVFNGSA-N 1 2 406.442 4.012 20 5 HIBDLO CC[NH+](CC)Cc1nc(C2(NCc3ccc([N+](=O)[O-])cc3Cl)CCCC2)no1 ZINC000543411056 940057462 /nfs/dbraw/zinc/05/74/62/940057462.db2.gz ORHIZKGEZIMYIR-UHFFFAOYSA-N 1 2 407.902 4.032 20 5 HIBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1ccccc1I ZINC000543426898 940060923 /nfs/dbraw/zinc/06/09/23/940060923.db2.gz ODOKRXUIAOBZAW-NSHDSACASA-N 1 2 412.227 4.059 20 5 HIBDLO O=C(NCCCCn1cc[nH+]c1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000543588496 940121991 /nfs/dbraw/zinc/12/19/91/940121991.db2.gz UDZNAIHYKJEBOB-UHFFFAOYSA-N 1 2 402.520 4.284 20 5 HIBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000544039927 940307774 /nfs/dbraw/zinc/30/77/74/940307774.db2.gz YLJHLGVSHBHVOK-UHFFFAOYSA-N 1 2 402.520 4.236 20 5 HIBDLO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000544277907 940377243 /nfs/dbraw/zinc/37/72/43/940377243.db2.gz PMUBRNOZXZABQT-UHFFFAOYSA-N 1 2 422.938 4.256 20 5 HIBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCc2c1cccc2C(F)(F)F ZINC000544718394 940506895 /nfs/dbraw/zinc/50/68/95/940506895.db2.gz FSGAJZJHBQVIEI-UHFFFAOYSA-N 1 2 402.332 4.002 20 5 HIBDLO Cn1c[nH+]cc1CCNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 ZINC000548460797 941105439 /nfs/dbraw/zinc/10/54/39/941105439.db2.gz VRGXVZHTEWQYHC-UHFFFAOYSA-N 1 2 416.890 4.105 20 5 HIBDLO O=C(Nc1cccc(Br)c1Cl)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000549021064 941144179 /nfs/dbraw/zinc/14/41/79/941144179.db2.gz BJRJPZUAXCIXHR-UHFFFAOYSA-N 1 2 421.638 4.449 20 5 HIBDLO CC(C)([C@@H](NCc1cc(O)ccc1[N+](=O)[O-])c1ccc(F)c(F)c1)[NH+]1CCCC1 ZINC000549543407 941198841 /nfs/dbraw/zinc/19/88/41/941198841.db2.gz JISIJEJRMKQKQY-FQEVSTJZSA-N 1 2 405.445 4.284 20 5 HIBDLO C[C@@H](C[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)Oc1ccc(Cl)cc1 ZINC000552054182 941575061 /nfs/dbraw/zinc/57/50/61/941575061.db2.gz NLWBNBUQRNPRLJ-IFXJQAMLSA-N 1 2 400.866 4.128 20 5 HIBDLO C[C@H](C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)Oc1ccccc1Cl ZINC000552062219 941577064 /nfs/dbraw/zinc/57/70/64/941577064.db2.gz QANGMRYHIWLLSA-AUUYWEPGSA-N 1 2 400.866 4.128 20 5 HIBDLO Cn1ccnc1[C@H]([NH2+]CCOc1cccc(C(C)(C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000552274787 941620334 /nfs/dbraw/zinc/62/03/34/941620334.db2.gz AMMBONIVNYOMSK-OAQYLSRUSA-N 1 2 408.502 4.384 20 5 HIBDLO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1cc2c(cc1Br)OCCO2 ZINC000552946758 941806276 /nfs/dbraw/zinc/80/62/76/941806276.db2.gz ZLSPZQJQQFHDBR-JTQLQIEISA-N 1 2 411.227 4.118 20 5 HIBDLO Cc1c(NC(=O)CC[N@@H+]2CC[C@@](F)(c3cc(F)cc(F)c3)C2)cccc1[N+](=O)[O-] ZINC000556508435 942888322 /nfs/dbraw/zinc/88/83/22/942888322.db2.gz SJIBGELFYLRZPM-FQEVSTJZSA-N 1 2 407.392 4.081 20 5 HIBDLO Cc1c(NC(=O)CC[N@H+]2CC[C@@](F)(c3cc(F)cc(F)c3)C2)cccc1[N+](=O)[O-] ZINC000556508435 942888325 /nfs/dbraw/zinc/88/83/25/942888325.db2.gz SJIBGELFYLRZPM-FQEVSTJZSA-N 1 2 407.392 4.081 20 5 HIBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000561135246 944474580 /nfs/dbraw/zinc/47/45/80/944474580.db2.gz CPSDQMLFDMLFJZ-XUVXKRRUSA-N 1 2 402.454 4.189 20 5 HIBDLO CSc1ccc(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)cc1[N+](=O)[O-] ZINC000028677489 847446512 /nfs/dbraw/zinc/44/65/12/847446512.db2.gz LDTIPPKAFKCIEE-LBPRGKRZSA-N 1 2 406.533 4.257 20 5 HIBDLO CSc1ccc(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)cc1[N+](=O)[O-] ZINC000028677489 847446517 /nfs/dbraw/zinc/44/65/17/847446517.db2.gz LDTIPPKAFKCIEE-LBPRGKRZSA-N 1 2 406.533 4.257 20 5 HIBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000032152885 847989183 /nfs/dbraw/zinc/98/91/83/847989183.db2.gz JEXAODJTHORHEW-KRWDZBQOSA-N 1 2 419.466 4.368 20 5 HIBDLO CN(Cc1ccccc1C(F)(F)F)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032626637 848054257 /nfs/dbraw/zinc/05/42/57/848054257.db2.gz PSSPEWGMEMGZAC-UHFFFAOYSA-N 1 2 404.348 4.072 20 5 HIBDLO Cc1ccc(OC2CC[NH+](Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)CC2)cc1C ZINC000053016381 849655170 /nfs/dbraw/zinc/65/51/70/849655170.db2.gz DRMNHBDTWLJFCO-UHFFFAOYSA-N 1 2 408.458 4.305 20 5 HIBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC[C@H]1Cc1ccccc1Cl ZINC000055524654 850046415 /nfs/dbraw/zinc/04/64/15/850046415.db2.gz JLWQJNCYYWBBSY-KRWDZBQOSA-N 1 2 410.861 4.281 20 5 HIBDLO C[C@@H](c1nnc(SCc2ccccc2[N+](=O)[O-])n1-c1ccc(F)cc1)[NH+](C)C ZINC000058165238 850776177 /nfs/dbraw/zinc/77/61/77/850776177.db2.gz IIVGHNCJDXHOHD-ZDUSSCGKSA-N 1 2 401.467 4.230 20 5 HIBDLO CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000060447439 851102707 /nfs/dbraw/zinc/10/27/07/851102707.db2.gz ZWMWNVBKPHBJAA-UHFFFAOYSA-N 1 2 422.485 4.231 20 5 HIBDLO Cc1c(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cnn1-c1cc(C)ccc1C ZINC000437079085 862274248 /nfs/dbraw/zinc/27/42/48/862274248.db2.gz SIHWESNTCFXXJF-UHFFFAOYSA-N 1 2 416.441 4.144 20 5 HIBDLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000071876611 852422914 /nfs/dbraw/zinc/42/29/14/852422914.db2.gz WBKJDVLHQPRMAR-UHFFFAOYSA-N 1 2 423.473 4.314 20 5 HIBDLO O=C(NCCCCNc1cccc[nH+]1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000078493720 852516111 /nfs/dbraw/zinc/51/61/11/852516111.db2.gz BMYCTBPRIJVSRR-UHFFFAOYSA-N 1 2 405.458 4.356 20 5 HIBDLO CSc1ccc([N+](=O)[O-])c(C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)c1 ZINC000216984226 853859347 /nfs/dbraw/zinc/85/93/47/853859347.db2.gz NXHAUXXRHJRVKF-UHFFFAOYSA-N 1 2 400.504 4.022 20 5 HIBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]Cc2cc(Br)ccc2F)c1 ZINC000237823299 854104287 /nfs/dbraw/zinc/10/42/87/854104287.db2.gz NHUODLRUJYPXLU-UHFFFAOYSA-N 1 2 405.170 4.388 20 5 HIBDLO O=[N+]([O-])c1cc(C[NH2+]Cc2nnc3n2CCCCC3)ccc1Oc1ccc(F)cc1 ZINC000237883949 854114829 /nfs/dbraw/zinc/11/48/29/854114829.db2.gz REBROBAXUIBTMP-UHFFFAOYSA-N 1 2 411.437 4.134 20 5 HIBDLO Cc1cc(NCc2ccc(Cn3cc[nH+]c3)cc2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301110411 854299575 /nfs/dbraw/zinc/29/95/75/854299575.db2.gz MUWBWJQOZSBJJJ-UHFFFAOYSA-N 1 2 400.442 4.217 20 5 HIBDLO CN1CC[NH+](C[C@@H](Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c2ccccc2)CC1 ZINC000301147331 854311973 /nfs/dbraw/zinc/31/19/73/854311973.db2.gz HNGPTLHVMNXVKK-GOSISDBHSA-N 1 2 408.424 4.014 20 5 HIBDLO C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1nc(-c2ccccc2)cs1 ZINC000410305199 855917745 /nfs/dbraw/zinc/91/77/45/855917745.db2.gz UJTIZAJZEVPQHP-AWEZNQCLSA-N 1 2 419.466 4.395 20 5 HIBDLO C[C@H](NC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1)c1cccc([N+](=O)[O-])c1 ZINC000426004834 856041809 /nfs/dbraw/zinc/04/18/09/856041809.db2.gz APVRVZBAWDHXBM-RVHYNSKXSA-N 1 2 405.458 4.080 20 5 HIBDLO Cc1cc(C[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)nc(N2CCCC2)n1 ZINC000426312346 856238874 /nfs/dbraw/zinc/23/88/74/856238874.db2.gz JBRCTXIBBQQFGN-JOCHJYFZSA-N 1 2 403.486 4.173 20 5 HIBDLO C[N@H+](Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1)Cc1ccccc1[N+](=O)[O-] ZINC000428248106 857124975 /nfs/dbraw/zinc/12/49/75/857124975.db2.gz LALNEWPHMUEXDN-UHFFFAOYSA-N 1 2 404.392 4.490 20 5 HIBDLO C[N@@H+](Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1)Cc1ccccc1[N+](=O)[O-] ZINC000428248106 857124981 /nfs/dbraw/zinc/12/49/81/857124981.db2.gz LALNEWPHMUEXDN-UHFFFAOYSA-N 1 2 404.392 4.490 20 5 HIBDLO Cc1c(NC(=O)[C@@H](C)[NH+]2CCC(c3ncccc3Cl)CC2)cccc1[N+](=O)[O-] ZINC000429219979 857560654 /nfs/dbraw/zinc/56/06/54/857560654.db2.gz CULGKMDLTOTNMO-CQSZACIVSA-N 1 2 402.882 4.158 20 5 HIBDLO CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN(C)Cc2cn3c([nH+]2)CCCC3)cc1OC ZINC000429561633 857751224 /nfs/dbraw/zinc/75/12/24/857751224.db2.gz WUVUHMOSZVULJH-MRXNPFEDSA-N 1 2 416.522 4.193 20 5 HIBDLO CCOC(=O)c1csc(C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3Cl)CC2)n1 ZINC000429586805 857771616 /nfs/dbraw/zinc/77/16/16/857771616.db2.gz XOQVKPQTULZMOG-UHFFFAOYSA-N 1 2 409.895 4.261 20 5 HIBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+](CCc2ccccn2)Cc2cccnc2)c1 ZINC000430878960 858351630 /nfs/dbraw/zinc/35/16/30/858351630.db2.gz QOBFHTPXYQZSNI-UHFFFAOYSA-N 1 2 414.412 4.231 20 5 HIBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+](CCc2ccccn2)Cc2cccnc2)c1 ZINC000430878960 858351637 /nfs/dbraw/zinc/35/16/37/858351637.db2.gz QOBFHTPXYQZSNI-UHFFFAOYSA-N 1 2 414.412 4.231 20 5 HIBDLO C[C@H]1CC[N@H+](Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC[S@@]1=O ZINC000433052407 859501794 /nfs/dbraw/zinc/50/17/94/859501794.db2.gz MFTOKKPDVCBZEM-PWFNWSNSSA-N 1 2 408.907 4.383 20 5 HIBDLO C[C@H]1CC[N@@H+](Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC[S@@]1=O ZINC000433052407 859501799 /nfs/dbraw/zinc/50/17/99/859501799.db2.gz MFTOKKPDVCBZEM-PWFNWSNSSA-N 1 2 408.907 4.383 20 5 HIBDLO CCc1ccc(C(=O)N(CCn2cc[nH+]c2)Cc2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000435328461 860740023 /nfs/dbraw/zinc/74/00/23/860740023.db2.gz RNAPAUMXLBTJGM-UHFFFAOYSA-N 1 2 412.877 4.350 20 5 HIBDLO NC(=O)c1ccc(C[NH2+][C@@H](c2cccc(F)c2)c2cccc(Cl)c2)c([N+](=O)[O-])c1 ZINC000467776220 881595377 /nfs/dbraw/zinc/59/53/77/881595377.db2.gz QQRJSKPDDFXTCI-HXUWFJFHSA-N 1 2 413.836 4.365 20 5 HIBDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])C1 ZINC000441068962 866156311 /nfs/dbraw/zinc/15/63/11/866156311.db2.gz NYDXPPMNAFUCRY-HNNXBMFYSA-N 1 2 408.483 4.109 20 5 HIBDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000442232738 867266488 /nfs/dbraw/zinc/26/64/88/867266488.db2.gz BCNODGDOJWZBAQ-OAQYLSRUSA-N 1 2 421.501 4.384 20 5 HIBDLO C[C@@H]([NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1ccc(Br)s1 ZINC000443330812 867908782 /nfs/dbraw/zinc/90/87/82/867908782.db2.gz CXQSSPFWKZMUIM-SECBINFHSA-N 1 2 409.265 4.320 20 5 HIBDLO CCOc1ccc([C@@H]([NH2+]Cc2c([N+](=O)[O-])ncn2C)c2cccc(Cl)c2)cc1 ZINC000443456316 868045203 /nfs/dbraw/zinc/04/52/03/868045203.db2.gz UFKYYRKPZUFRJZ-LJQANCHMSA-N 1 2 400.866 4.260 20 5 HIBDLO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](Oc3ccccc3Cl)C2)cccc1[N+](=O)[O-] ZINC000443657738 868258669 /nfs/dbraw/zinc/25/86/69/868258669.db2.gz UPEGVGKHFPQLOV-LSDHHAIUSA-N 1 2 403.866 4.037 20 5 HIBDLO Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@@H](Oc3ccccc3Cl)C2)cccc1[N+](=O)[O-] ZINC000443657738 868258674 /nfs/dbraw/zinc/25/86/74/868258674.db2.gz UPEGVGKHFPQLOV-LSDHHAIUSA-N 1 2 403.866 4.037 20 5 HIBDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000443953303 868489834 /nfs/dbraw/zinc/48/98/34/868489834.db2.gz SINKDDMKYXILKU-UHFFFAOYSA-N 1 2 411.506 4.377 20 5 HIBDLO Cc1c(NC(=O)CC[N@H+]2C[C@@H](c3cccc(Cl)c3)OC[C@H]2C)cccc1[N+](=O)[O-] ZINC000444699796 868964292 /nfs/dbraw/zinc/96/42/92/868964292.db2.gz FCBFWJWYIFMSRA-VLIAUNLRSA-N 1 2 417.893 4.347 20 5 HIBDLO Cc1c(NC(=O)CC[N@@H+]2C[C@@H](c3cccc(Cl)c3)OC[C@H]2C)cccc1[N+](=O)[O-] ZINC000444699796 868964298 /nfs/dbraw/zinc/96/42/98/868964298.db2.gz FCBFWJWYIFMSRA-VLIAUNLRSA-N 1 2 417.893 4.347 20 5 HIBDLO CC[N@@H+]1CC[C@@H](NC(=O)c2c(C)cccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000446303691 870228860 /nfs/dbraw/zinc/22/88/60/870228860.db2.gz WKLDVIPMTJTDOB-VQIMIIECSA-N 1 2 405.857 4.261 20 5 HIBDLO CC[N@H+]1CC[C@@H](NC(=O)c2c(C)cccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000446303691 870228873 /nfs/dbraw/zinc/22/88/73/870228873.db2.gz WKLDVIPMTJTDOB-VQIMIIECSA-N 1 2 405.857 4.261 20 5 HIBDLO O=C(Nc1sc2c(c1C(=O)C1CC1)CCC2)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000446613838 870515442 /nfs/dbraw/zinc/51/54/42/870515442.db2.gz HRROZQNEVBYOFY-UHFFFAOYSA-N 1 2 422.466 4.176 20 5 HIBDLO O=C(c1c([N+](=O)[O-])cccc1C(F)(F)F)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000447668050 871597314 /nfs/dbraw/zinc/59/73/14/871597314.db2.gz AZABIDWECMFUSI-UHFFFAOYSA-N 1 2 422.407 4.166 20 5 HIBDLO C[C@@H]1OCC[C@@]12C[N@H+](Cc1ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c1)C[C@@H](C)O2 ZINC000448369803 872320723 /nfs/dbraw/zinc/32/07/23/872320723.db2.gz CAYIIHRVEJIRMQ-ZMPRRUGASA-N 1 2 416.449 4.295 20 5 HIBDLO C[C@@H]1OCC[C@@]12C[N@@H+](Cc1ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c1)C[C@@H](C)O2 ZINC000448369803 872320742 /nfs/dbraw/zinc/32/07/42/872320742.db2.gz CAYIIHRVEJIRMQ-ZMPRRUGASA-N 1 2 416.449 4.295 20 5 HIBDLO Cc1cc(N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000463008593 876023540 /nfs/dbraw/zinc/02/35/40/876023540.db2.gz INFDREKQYOITJR-INIZCTEOSA-N 1 2 400.442 4.141 20 5 HIBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000463084601 876116240 /nfs/dbraw/zinc/11/62/40/876116240.db2.gz ODKPUECLTRWASS-CQSZACIVSA-N 1 2 405.545 4.287 20 5 HIBDLO CC[C@H](NC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000463315699 876374583 /nfs/dbraw/zinc/37/45/83/876374583.db2.gz PYUXSDLZHYQFPF-BEFAXECRSA-N 1 2 402.520 4.196 20 5 HIBDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)Nc3cc([N+](=O)[O-])c(C)cc3C)CC2)c1 ZINC000463948867 877070083 /nfs/dbraw/zinc/07/00/83/877070083.db2.gz JSIXBTSXASKABM-KRWDZBQOSA-N 1 2 412.490 4.131 20 5 HIBDLO Cc1ccc([C@H]2CCC[C@H]2N(C)C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1 ZINC000464045380 877186605 /nfs/dbraw/zinc/18/66/05/877186605.db2.gz NMJSCLWWBCSSGM-WOJBJXKFSA-N 1 2 404.470 4.497 20 5 HIBDLO Cc1ccc([C@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c2ccccn2)cc1 ZINC000503288772 912270743 /nfs/dbraw/zinc/27/07/43/912270743.db2.gz ZQHHAMIQNXSKKG-QFIPXVFZSA-N 1 2 413.437 4.003 20 5 HIBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCN(C(=O)Cc2cccc(Cl)c2)[C@@H](C)C1 ZINC000464777540 878022378 /nfs/dbraw/zinc/02/23/78/878022378.db2.gz VFTBNHCESHDNPR-JKSUJKDBSA-N 1 2 401.894 4.085 20 5 HIBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCN(C(=O)Cc2cccc(Cl)c2)[C@@H](C)C1 ZINC000464777540 878022401 /nfs/dbraw/zinc/02/24/01/878022401.db2.gz VFTBNHCESHDNPR-JKSUJKDBSA-N 1 2 401.894 4.085 20 5 HIBDLO COc1cc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)c(Br)cc1O ZINC000466470278 880252815 /nfs/dbraw/zinc/25/28/15/880252815.db2.gz HVRYJYZUJIADND-UHFFFAOYSA-N 1 2 401.644 4.015 20 5 HIBDLO CO[C@@]1(C)CCC[N@@H+]([C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C1 ZINC000470905815 885410740 /nfs/dbraw/zinc/41/07/40/885410740.db2.gz JQEKQTBHWPKMNV-CTNGQTDRSA-N 1 2 417.893 4.429 20 5 HIBDLO CO[C@@]1(C)CCC[N@H+]([C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C1 ZINC000470905815 885410746 /nfs/dbraw/zinc/41/07/46/885410746.db2.gz JQEKQTBHWPKMNV-CTNGQTDRSA-N 1 2 417.893 4.429 20 5 HIBDLO CO[C@]1(C)CCC[N@@H+]([C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C1 ZINC000470905818 885410800 /nfs/dbraw/zinc/41/08/00/885410800.db2.gz JQEKQTBHWPKMNV-TZIWHRDSSA-N 1 2 417.893 4.429 20 5 HIBDLO CO[C@]1(C)CCC[N@H+]([C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C1 ZINC000470905818 885410804 /nfs/dbraw/zinc/41/08/04/885410804.db2.gz JQEKQTBHWPKMNV-TZIWHRDSSA-N 1 2 417.893 4.429 20 5 HIBDLO Cc1[nH]c2ccccc2c1C1=CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000471160478 885712757 /nfs/dbraw/zinc/71/27/57/885712757.db2.gz MVRJULYLSKRJRO-UHFFFAOYSA-N 1 2 404.470 4.421 20 5 HIBDLO Cc1[nH]c2ccccc2c1C1=CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000471160478 885712769 /nfs/dbraw/zinc/71/27/69/885712769.db2.gz MVRJULYLSKRJRO-UHFFFAOYSA-N 1 2 404.470 4.421 20 5 HIBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCc2cc(-c3ccccc3)oc2C1 ZINC000473541918 888280523 /nfs/dbraw/zinc/28/05/23/888280523.db2.gz PLVAXNWXGNRIDQ-UHFFFAOYSA-N 1 2 414.421 4.239 20 5 HIBDLO COc1ccc([C@@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C2)cc1 ZINC000504495172 913284921 /nfs/dbraw/zinc/28/49/21/913284921.db2.gz YMCVKYCBKTXOEO-DZGCQCFKSA-N 1 2 403.866 4.073 20 5 HIBDLO COc1ccc([C@@H]2CC[N@H+]([C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C2)cc1 ZINC000504495172 913284939 /nfs/dbraw/zinc/28/49/39/913284939.db2.gz YMCVKYCBKTXOEO-DZGCQCFKSA-N 1 2 403.866 4.073 20 5 HIBDLO COC(=O)c1nc([C@@H]2CCC[N@@H+]2C/C(C)=C/c2cccc([N+](=O)[O-])c2)sc1C ZINC000475331387 890250185 /nfs/dbraw/zinc/25/01/85/890250185.db2.gz LFPANCBCBWHLFF-RTGRKSDTSA-N 1 2 401.488 4.387 20 5 HIBDLO COC(=O)c1nc([C@@H]2CCC[N@H+]2C/C(C)=C/c2cccc([N+](=O)[O-])c2)sc1C ZINC000475331387 890250203 /nfs/dbraw/zinc/25/02/03/890250203.db2.gz LFPANCBCBWHLFF-RTGRKSDTSA-N 1 2 401.488 4.387 20 5 HIBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1CCCSCc1ccc(-n2cc[nH+]c2)cc1 ZINC000477008886 891936843 /nfs/dbraw/zinc/93/68/43/891936843.db2.gz CALQOFXMKWCIIG-UHFFFAOYSA-N 1 2 410.455 4.012 20 5 HIBDLO CCCN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@@H]1CCCc2cccnc21 ZINC000479342164 894636031 /nfs/dbraw/zinc/63/60/31/894636031.db2.gz ADMBPOUERSOMEK-LJQANCHMSA-N 1 2 405.458 4.105 20 5 HIBDLO Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000479861242 895196770 /nfs/dbraw/zinc/19/67/70/895196770.db2.gz ITIJOPWDQNSIHW-UHFFFAOYSA-N 1 2 421.457 4.326 20 5 HIBDLO C[N@@H+]1CC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@H]1c1ccc(F)c(F)c1 ZINC000481200893 896555019 /nfs/dbraw/zinc/55/50/19/896555019.db2.gz PHBJCABTRVRIRP-IAGOWNOFSA-N 1 2 410.808 4.093 20 5 HIBDLO C[N@H+]1CC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@H]1c1ccc(F)c(F)c1 ZINC000481200893 896555047 /nfs/dbraw/zinc/55/50/47/896555047.db2.gz PHBJCABTRVRIRP-IAGOWNOFSA-N 1 2 410.808 4.093 20 5 HIBDLO COc1cccc(F)c1[C@@H](C)[NH2+]Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000505473980 914149169 /nfs/dbraw/zinc/14/91/69/914149169.db2.gz YOUXJHOYCOOKAA-LLVKDONJSA-N 1 2 414.380 4.246 20 5 HIBDLO COc1ccc(-c2ccc(CNc3cc(CSCCO)cc[nH+]3)o2)c([N+](=O)[O-])c1 ZINC000482778401 898385059 /nfs/dbraw/zinc/38/50/59/898385059.db2.gz FWDCMBXEYJVBBG-UHFFFAOYSA-N 1 2 415.471 4.096 20 5 HIBDLO Cc1cc(-c2noc(C[NH+]3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)n2)ccc1F ZINC000483221326 898866379 /nfs/dbraw/zinc/86/63/79/898866379.db2.gz ZEPQSICKLUETQO-UHFFFAOYSA-N 1 2 412.421 4.136 20 5 HIBDLO C[C@@H]([NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)c1nc(C2CCCCC2)no1 ZINC000483655466 899314473 /nfs/dbraw/zinc/31/44/73/899314473.db2.gz RBYFQTBFZDKQJV-UONOGXRCSA-N 1 2 401.467 4.093 20 5 HIBDLO CCC(CC)C(=O)N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000485176037 900472454 /nfs/dbraw/zinc/47/24/54/900472454.db2.gz VTKVGKFPHDOASC-UHFFFAOYSA-N 1 2 401.532 4.404 20 5 HIBDLO Cc1ccnc(-c2n[nH]c([C@H](C)[NH2+]Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)n2)c1 ZINC000486807331 901865620 /nfs/dbraw/zinc/86/56/20/901865620.db2.gz DQPHSMRYFXOEKO-AWEZNQCLSA-N 1 2 404.430 4.194 20 5 HIBDLO O=C(NC12CCC(C(F)(F)F)(CC1)CC2)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000488442473 902828550 /nfs/dbraw/zinc/82/85/50/902828550.db2.gz MSYOTYZTHAYEGY-UHFFFAOYSA-N 1 2 408.380 4.166 20 5 HIBDLO O=C(c1cccs1)N1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000506005246 914677682 /nfs/dbraw/zinc/67/76/82/914677682.db2.gz SCNJCIISLDEVNG-UHFFFAOYSA-N 1 2 413.524 4.343 20 5 HIBDLO CCO[C@@H](C)c1nc(CN2CC[NH+]([C@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)cs1 ZINC000490031786 903733909 /nfs/dbraw/zinc/73/39/09/903733909.db2.gz PNDPAKNBUIKCKL-SJORKVTESA-N 1 2 418.563 4.336 20 5 HIBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000490032319 903734257 /nfs/dbraw/zinc/73/42/57/903734257.db2.gz MZPFBRQJKYKQGV-GOEBONIOSA-N 1 2 402.882 4.152 20 5 HIBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000490032319 903734268 /nfs/dbraw/zinc/73/42/68/903734268.db2.gz MZPFBRQJKYKQGV-GOEBONIOSA-N 1 2 402.882 4.152 20 5 HIBDLO O=C(C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000490044508 903740582 /nfs/dbraw/zinc/74/05/82/903740582.db2.gz RXJJXENNGBMOKU-UHFFFAOYSA-N 1 2 423.469 4.239 20 5 HIBDLO O=C(C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000490044508 903740589 /nfs/dbraw/zinc/74/05/89/903740589.db2.gz RXJJXENNGBMOKU-UHFFFAOYSA-N 1 2 423.469 4.239 20 5 HIBDLO COc1cc(CNc2ccc(-n3cc[nH+]c3)cc2)c([N+](=O)[O-])cc1OCC(F)F ZINC000490548208 904092786 /nfs/dbraw/zinc/09/27/86/904092786.db2.gz SPYLKMCDNWXRCE-UHFFFAOYSA-N 1 2 404.373 4.045 20 5 HIBDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000491077009 904414667 /nfs/dbraw/zinc/41/46/67/904414667.db2.gz QDAJKZYYEGRIBC-UHFFFAOYSA-N 1 2 402.882 4.022 20 5 HIBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC[C@@H](C(F)(F)F)c2ccccc21 ZINC000492064581 904782360 /nfs/dbraw/zinc/78/23/60/904782360.db2.gz IFGPEDJFXNRICK-OAHLLOKOSA-N 1 2 416.359 4.477 20 5 HIBDLO COc1cc(Br)c(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])cc1OC ZINC000492270071 904827046 /nfs/dbraw/zinc/82/70/46/904827046.db2.gz CHGOEHMEAVSSQA-UHFFFAOYSA-N 1 2 409.280 4.399 20 5 HIBDLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000512723669 921296882 /nfs/dbraw/zinc/29/68/82/921296882.db2.gz WMCLFMNDOBIGEN-IIBYNOLFSA-N 1 2 418.453 4.493 20 5 HIBDLO O=C(c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000512758541 921302491 /nfs/dbraw/zinc/30/24/91/921302491.db2.gz HLAMZAOXQIELIZ-CYBMUJFWSA-N 1 2 422.407 4.166 20 5 HIBDLO COc1cccc(C2CC[NH+]([C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CC2)c1 ZINC000498684472 908112708 /nfs/dbraw/zinc/11/27/08/908112708.db2.gz ZLRFSEHZHHBQGX-CQSZACIVSA-N 1 2 417.893 4.463 20 5 HIBDLO C[C@@H]1CO[C@H](c2ccccc2Cl)C[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000500069935 909540888 /nfs/dbraw/zinc/54/08/88/909540888.db2.gz LINPPKWZMQLPHC-KUHUBIRLSA-N 1 2 403.866 4.039 20 5 HIBDLO C[C@@H]1CO[C@H](c2ccccc2Cl)C[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000500069935 909540908 /nfs/dbraw/zinc/54/09/08/909540908.db2.gz LINPPKWZMQLPHC-KUHUBIRLSA-N 1 2 403.866 4.039 20 5 HIBDLO O=[N+]([O-])c1ccc2oc(C[NH2+][C@@H]3CCOc4c(Br)cccc43)nc2c1 ZINC000501574312 910681997 /nfs/dbraw/zinc/68/19/97/910681997.db2.gz CQQKUORPXBMVQE-CYBMUJFWSA-N 1 2 404.220 4.112 20 5 HIBDLO COc1ccc(C[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC2CC2)c(OC)c1 ZINC000503213561 912194015 /nfs/dbraw/zinc/19/40/15/912194015.db2.gz BVDBCLOAJQOEIJ-UHFFFAOYSA-N 1 2 424.457 4.074 20 5 HIBDLO COc1ccc(C[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC2CC2)c(OC)c1 ZINC000503213561 912194027 /nfs/dbraw/zinc/19/40/27/912194027.db2.gz BVDBCLOAJQOEIJ-UHFFFAOYSA-N 1 2 424.457 4.074 20 5 HIBDLO O=C(c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000509228611 917927001 /nfs/dbraw/zinc/92/70/01/917927001.db2.gz TYDCJNFAVMCVFM-UHFFFAOYSA-N 1 2 422.407 4.166 20 5 HIBDLO O=C(N[C@@H](CC(F)(F)F)c1ccc(F)cc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000509266631 917953346 /nfs/dbraw/zinc/95/33/46/917953346.db2.gz ZEDATBMRDAJQNH-HNNXBMFYSA-N 1 2 422.338 4.343 20 5 HIBDLO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000509310667 917987363 /nfs/dbraw/zinc/98/73/63/917987363.db2.gz NIHYWNZLXOPVIW-UHFFFAOYSA-N 1 2 421.501 4.002 20 5 HIBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1CCC([C@H](F)c2ccccc2F)CC1 ZINC000511147860 919768505 /nfs/dbraw/zinc/76/85/05/919768505.db2.gz VLKQJGRNKUVHJA-NRFANRHFSA-N 1 2 403.429 4.404 20 5 HIBDLO Cn1ccnc1[C@H]([NH2+]CCSCc1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC000513659373 921981547 /nfs/dbraw/zinc/98/15/47/921981547.db2.gz BRVFBMJJRAAKBV-LJQANCHMSA-N 1 2 400.479 4.080 20 5 HIBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000514894186 922836582 /nfs/dbraw/zinc/83/65/82/922836582.db2.gz SQHZYBBGLFXYSW-ZDUSSCGKSA-N 1 2 416.890 4.231 20 5 HIBDLO Cc1ccccc1-c1csc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1 ZINC000515214831 922996267 /nfs/dbraw/zinc/99/62/67/922996267.db2.gz LMBLEEYSIRIIGF-UHFFFAOYSA-N 1 2 405.439 4.465 20 5 HIBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2Cc3ccccc3[C@@H](c3ccccc3)C2)cc1 ZINC000517997641 926939126 /nfs/dbraw/zinc/93/91/26/926939126.db2.gz CPKRYJYBOHBHHL-HSZRJFAPSA-N 1 2 422.506 4.016 20 5 HIBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2Cc3ccccc3[C@@H](c3ccccc3)C2)cc1 ZINC000517997641 926939136 /nfs/dbraw/zinc/93/91/36/926939136.db2.gz CPKRYJYBOHBHHL-HSZRJFAPSA-N 1 2 422.506 4.016 20 5 HIBDLO O=C(c1csc([N+](=O)[O-])c1)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl ZINC000522002221 929617465 /nfs/dbraw/zinc/61/74/65/929617465.db2.gz WQVUMLPEQLCCQV-UHFFFAOYSA-N 1 2 422.869 4.378 20 5 HIBDLO Cc1cccn2cc(CC(=O)Nc3ccc(OCc4ccccc4)cc3[N+](=O)[O-])[nH+]c12 ZINC000525845141 930464250 /nfs/dbraw/zinc/46/42/50/930464250.db2.gz CQIFKZILLKLJMS-UHFFFAOYSA-N 1 2 416.437 4.311 20 5 HIBDLO CCOc1ccc([C@H](C)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)[nH+]c2)cc1[N+](=O)[O-] ZINC000530524763 930737102 /nfs/dbraw/zinc/73/71/02/930737102.db2.gz PUXLEHVINKFSAX-OAGGEKHMSA-N 1 2 400.479 4.175 20 5 HIBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000533426837 931864786 /nfs/dbraw/zinc/86/47/86/931864786.db2.gz JEZKKZZRHWYSBV-WMLDXEAASA-N 1 2 424.432 4.440 20 5 HIBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000533426837 931864789 /nfs/dbraw/zinc/86/47/89/931864789.db2.gz JEZKKZZRHWYSBV-WMLDXEAASA-N 1 2 424.432 4.440 20 5 HIBDLO Cc1c(NC(=O)CC[N@H+]2C[C@@H](c3ccccc3Cl)OC[C@H]2C)cccc1[N+](=O)[O-] ZINC000533441412 931870448 /nfs/dbraw/zinc/87/04/48/931870448.db2.gz ALJRORNOZBXVDZ-VLIAUNLRSA-N 1 2 417.893 4.347 20 5 HIBDLO Cc1c(NC(=O)CC[N@@H+]2C[C@@H](c3ccccc3Cl)OC[C@H]2C)cccc1[N+](=O)[O-] ZINC000533441412 931870452 /nfs/dbraw/zinc/87/04/52/931870452.db2.gz ALJRORNOZBXVDZ-VLIAUNLRSA-N 1 2 417.893 4.347 20 5 HIBDLO C[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@H]1c1ccc(Cl)c(F)c1 ZINC000533682681 931967864 /nfs/dbraw/zinc/96/78/64/931967864.db2.gz UIOSHXGUDOFUAJ-DLBZAZTESA-N 1 2 412.248 4.216 20 5 HIBDLO C[N@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@H]1c1ccc(Cl)c(F)c1 ZINC000533682681 931967872 /nfs/dbraw/zinc/96/78/72/931967872.db2.gz UIOSHXGUDOFUAJ-DLBZAZTESA-N 1 2 412.248 4.216 20 5 HIBDLO C[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@H]1c1ccc(Cl)c(F)c1 ZINC000533682685 931968119 /nfs/dbraw/zinc/96/81/19/931968119.db2.gz UIOSHXGUDOFUAJ-IAGOWNOFSA-N 1 2 412.248 4.216 20 5 HIBDLO C[N@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@H]1c1ccc(Cl)c(F)c1 ZINC000533682685 931968125 /nfs/dbraw/zinc/96/81/25/931968125.db2.gz UIOSHXGUDOFUAJ-IAGOWNOFSA-N 1 2 412.248 4.216 20 5 HIBDLO C[N@@H+]1CC[C@H](NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534391447 932415658 /nfs/dbraw/zinc/41/56/58/932415658.db2.gz KQRNSKIXEXVEPI-HKUYNNGSSA-N 1 2 416.840 4.044 20 5 HIBDLO C[N@H+]1CC[C@H](NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534391447 932415660 /nfs/dbraw/zinc/41/56/60/932415660.db2.gz KQRNSKIXEXVEPI-HKUYNNGSSA-N 1 2 416.840 4.044 20 5 HIBDLO C[N@@H+]1CC[C@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534394175 932420207 /nfs/dbraw/zinc/42/02/07/932420207.db2.gz WWLHDQFDYDAZQI-RBUKOAKNSA-N 1 2 419.884 4.227 20 5 HIBDLO C[N@H+]1CC[C@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534394175 932420214 /nfs/dbraw/zinc/42/02/14/932420214.db2.gz WWLHDQFDYDAZQI-RBUKOAKNSA-N 1 2 419.884 4.227 20 5 HIBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CC(c2nc3ccccc3s2)C1 ZINC000535665862 933309567 /nfs/dbraw/zinc/30/95/67/933309567.db2.gz NVBDPUHEKXDACR-GFCCVEGCSA-N 1 2 407.455 4.415 20 5 HIBDLO CC[N@@H+]1CC[C@@H](NC(=O)NCc2ccccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000538054331 938487724 /nfs/dbraw/zinc/48/77/24/938487724.db2.gz QTBIVAZRDKBPSX-IEBWSBKVSA-N 1 2 420.872 4.022 20 5 HIBDLO CC[N@H+]1CC[C@@H](NC(=O)NCc2ccccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000538054331 938487736 /nfs/dbraw/zinc/48/77/36/938487736.db2.gz QTBIVAZRDKBPSX-IEBWSBKVSA-N 1 2 420.872 4.022 20 5 HIBDLO C[C@@H]([NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1ccc(OCC(F)(F)F)cc1 ZINC000538163170 938531329 /nfs/dbraw/zinc/53/13/29/938531329.db2.gz RPQQKLCPRLPUCF-GFCCVEGCSA-N 1 2 422.363 4.437 20 5 HIBDLO CC[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)[C@@H](C)CS(=O)(=O)CC ZINC000538732680 938695649 /nfs/dbraw/zinc/69/56/49/938695649.db2.gz HUPLMFPVNWWDMV-ZDUSSCGKSA-N 1 2 414.911 4.153 20 5 HIBDLO CC[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)[C@@H](C)CS(=O)(=O)CC ZINC000538732680 938695652 /nfs/dbraw/zinc/69/56/52/938695652.db2.gz HUPLMFPVNWWDMV-ZDUSSCGKSA-N 1 2 414.911 4.153 20 5 HIBDLO CC[N@@H+]1CC[C@H](NC(=O)c2cccc(C)c2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000540224039 939139983 /nfs/dbraw/zinc/13/99/83/939139983.db2.gz NKHKBDVTQHMDEJ-PKOBYXMFSA-N 1 2 405.857 4.261 20 5 HIBDLO CC[N@H+]1CC[C@H](NC(=O)c2cccc(C)c2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000540224039 939139996 /nfs/dbraw/zinc/13/99/96/939139996.db2.gz NKHKBDVTQHMDEJ-PKOBYXMFSA-N 1 2 405.857 4.261 20 5 HIBDLO COc1cc([C@@H](C)[NH2+]Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)ccc1OC(C)C ZINC000540352769 939204421 /nfs/dbraw/zinc/20/44/21/939204421.db2.gz RLXQEAXBTGPWCB-CQSZACIVSA-N 1 2 412.446 4.291 20 5 HIBDLO CO[C@H](C)c1nc(CN2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3Cl)CC2)cs1 ZINC000541070366 939450025 /nfs/dbraw/zinc/45/00/25/939450025.db2.gz XRMGROGUFSRHSI-CQSZACIVSA-N 1 2 424.954 4.120 20 5 HIBDLO CO[C@H](C)c1nc(CN2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3Cl)CC2)cs1 ZINC000541070366 939450026 /nfs/dbraw/zinc/45/00/26/939450026.db2.gz XRMGROGUFSRHSI-CQSZACIVSA-N 1 2 424.954 4.120 20 5 HIBDLO C[C@H](c1cccc(C(F)(F)F)c1)[N@H+](C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000541272939 939488797 /nfs/dbraw/zinc/48/87/97/939488797.db2.gz XWABHWPCJMOUJU-CYBMUJFWSA-N 1 2 416.421 4.080 20 5 HIBDLO C[C@H](c1cccc(C(F)(F)F)c1)[N@@H+](C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000541272939 939488798 /nfs/dbraw/zinc/48/87/98/939488798.db2.gz XWABHWPCJMOUJU-CYBMUJFWSA-N 1 2 416.421 4.080 20 5 HIBDLO C[C@@H](c1ccc(Cl)cc1)[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000541276602 939488938 /nfs/dbraw/zinc/48/89/38/939488938.db2.gz WTUHGVBTWVYHHM-AWEZNQCLSA-N 1 2 408.907 4.248 20 5 HIBDLO C[C@@H](c1ccc(Cl)cc1)[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000541276602 939488939 /nfs/dbraw/zinc/48/89/39/939488939.db2.gz WTUHGVBTWVYHHM-AWEZNQCLSA-N 1 2 408.907 4.248 20 5 HIBDLO O=C(NCc1ccn2cc[nH+]c2c1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000541726701 939615109 /nfs/dbraw/zinc/61/51/09/939615109.db2.gz MQBRJDOSRPFOLZ-UHFFFAOYSA-N 1 2 410.499 4.455 20 5 HIBDLO COc1ccc(NC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)cc1[N+](=O)[O-] ZINC000542028535 939692191 /nfs/dbraw/zinc/69/21/91/939692191.db2.gz ICXYOVDSUPSRSW-UHFFFAOYSA-N 1 2 405.414 4.163 20 5 HIBDLO C/C(=C\c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000542189135 939750425 /nfs/dbraw/zinc/75/04/25/939750425.db2.gz IIAGUBZEMHQRFU-DTQAZKPQSA-N 1 2 406.442 4.038 20 5 HIBDLO C[N@H+](Cc1cscn1)Cc1cccc(Nc2ncnc3cccc([N+](=O)[O-])c32)c1 ZINC000543435732 940063603 /nfs/dbraw/zinc/06/36/03/940063603.db2.gz XAUVMMCKWUASQH-UHFFFAOYSA-N 1 2 406.471 4.370 20 5 HIBDLO C[N@@H+](Cc1cscn1)Cc1cccc(Nc2ncnc3cccc([N+](=O)[O-])c32)c1 ZINC000543435732 940063606 /nfs/dbraw/zinc/06/36/06/940063606.db2.gz XAUVMMCKWUASQH-UHFFFAOYSA-N 1 2 406.471 4.370 20 5 HIBDLO C[C@@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1nc(-c2ccc(Br)cc2)cs1 ZINC000543495803 940084604 /nfs/dbraw/zinc/08/46/04/940084604.db2.gz SQYZOGAFEDITMM-SNVBAGLBSA-N 1 2 422.308 4.065 20 5 HIBDLO C[C@H](C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1)c1ccc([N+](=O)[O-])cc1F ZINC000544507536 940459555 /nfs/dbraw/zinc/45/95/55/940459555.db2.gz YIURFESROAWKFQ-OLZOCXBDSA-N 1 2 406.483 4.165 20 5 HIBDLO C[C@H](C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1)c1ccc([N+](=O)[O-])cc1F ZINC000544507536 940459561 /nfs/dbraw/zinc/45/95/61/940459561.db2.gz YIURFESROAWKFQ-OLZOCXBDSA-N 1 2 406.483 4.165 20 5 HIBDLO O=[N+]([O-])c1ccc(-c2nc(-c3cccc(-n4cc[nH+]c4)c3)no2)c(Br)c1 ZINC000544739492 940509633 /nfs/dbraw/zinc/50/96/33/940509633.db2.gz LBSLIHJSYBGKCA-UHFFFAOYSA-N 1 2 412.203 4.260 20 5 HIBDLO COCCn1cc2c(n1)[C@@H]([NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)CCC2 ZINC000544896092 940522858 /nfs/dbraw/zinc/52/28/58/940522858.db2.gz HOHVSUBPTANAMX-FCHUYYIVSA-N 1 2 406.486 4.194 20 5 HIBDLO O=C(c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1)N1CC(n2cc[nH+]c2)C1 ZINC000545939735 940662264 /nfs/dbraw/zinc/66/22/64/940662264.db2.gz UVJSHTPCHVEYNH-UHFFFAOYSA-N 1 2 414.874 4.293 20 5 HIBDLO CC(=O)c1ccc(NCCc2cn3cc(Br)cc(C)c3[nH+]2)c([N+](=O)[O-])c1 ZINC000546051654 940683132 /nfs/dbraw/zinc/68/31/32/940683132.db2.gz ZWRVRWNWKGBODI-UHFFFAOYSA-N 1 2 417.263 4.171 20 5 HIBDLO O=c1c2ccccc2n(Cc2nc(-c3cccc(-n4cc[nH+]c4)c3)no2)c2ccccc12 ZINC000547099237 940995190 /nfs/dbraw/zinc/99/51/90/940995190.db2.gz XFAHRZXOYKUFKC-UHFFFAOYSA-N 1 2 419.444 4.439 20 5 HIBDLO Cc1nc(C[NH+]2CCC(c3nc(Cc4cccc([N+](=O)[O-])c4C)no3)CC2)cs1 ZINC000547190382 941025844 /nfs/dbraw/zinc/02/58/44/941025844.db2.gz HRNYMGDXJSTDGZ-UHFFFAOYSA-N 1 2 413.503 4.022 20 5 HIBDLO COc1ccc(C[C@@H]([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])c2ccc(OC)cc2)cc1 ZINC000549510731 941197547 /nfs/dbraw/zinc/19/75/47/941197547.db2.gz QGFNGAHYZPIBRR-JOCHJYFZSA-N 1 2 408.454 4.391 20 5 HIBDLO Cc1sc(C2([NH2+]Cc3c([N+](=O)[O-])ncn3C)CCC2)nc1-c1ccccc1F ZINC000550158316 941291205 /nfs/dbraw/zinc/29/12/05/941291205.db2.gz WAKBVRGGIGMVLG-UHFFFAOYSA-N 1 2 401.467 4.068 20 5 HIBDLO C[N@H+](Cc1cscn1)Cc1cccc(Nc2ncnc3sc([N+](=O)[O-])cc32)c1 ZINC000553057560 941826076 /nfs/dbraw/zinc/82/60/76/941826076.db2.gz JUNIJUNFORHFAQ-UHFFFAOYSA-N 1 2 412.500 4.432 20 5 HIBDLO C[N@@H+](Cc1cscn1)Cc1cccc(Nc2ncnc3sc([N+](=O)[O-])cc32)c1 ZINC000553057560 941826079 /nfs/dbraw/zinc/82/60/79/941826079.db2.gz JUNIJUNFORHFAQ-UHFFFAOYSA-N 1 2 412.500 4.432 20 5 HIBDLO CC(C)[N@H+](Cc1cc(Br)ccc1F)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000561811615 944806872 /nfs/dbraw/zinc/80/68/72/944806872.db2.gz WMEGCSICJWQCHY-UHFFFAOYSA-N 1 2 424.270 4.006 20 5 HIBDLO CC(C)[N@@H+](Cc1cc(Br)ccc1F)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000561811615 944806874 /nfs/dbraw/zinc/80/68/74/944806874.db2.gz WMEGCSICJWQCHY-UHFFFAOYSA-N 1 2 424.270 4.006 20 5 HIBDLO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2ccn3cc[nH+]c3c2)cc1 ZINC000566530601 946034029 /nfs/dbraw/zinc/03/40/29/946034029.db2.gz ZKGQKOUARALUOB-UHFFFAOYSA-N 1 2 404.382 4.296 20 5 HIBDLO CC[N@@H+]1CC[C@H](NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000567160293 946259622 /nfs/dbraw/zinc/25/96/22/946259622.db2.gz UVYQJVPLLWGENU-CAYVGHNUSA-N 1 2 419.884 4.443 20 5 HIBDLO CC[N@H+]1CC[C@H](NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000567160293 946259636 /nfs/dbraw/zinc/25/96/36/946259636.db2.gz UVYQJVPLLWGENU-CAYVGHNUSA-N 1 2 419.884 4.443 20 5 HIBDLO CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000567160295 946260183 /nfs/dbraw/zinc/26/01/83/946260183.db2.gz UVYQJVPLLWGENU-MRFFXTKBSA-N 1 2 419.884 4.443 20 5 HIBDLO CC[N@H+]1CC[C@H](NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000567160295 946260203 /nfs/dbraw/zinc/26/02/03/946260203.db2.gz UVYQJVPLLWGENU-MRFFXTKBSA-N 1 2 419.884 4.443 20 5 HIBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000575851452 948742043 /nfs/dbraw/zinc/74/20/43/948742043.db2.gz VYFBWCIDHDZHPF-WMZOPIPTSA-N 1 2 406.845 4.263 20 5 HIBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000575851452 948742062 /nfs/dbraw/zinc/74/20/62/948742062.db2.gz VYFBWCIDHDZHPF-WMZOPIPTSA-N 1 2 406.845 4.263 20 5 HIBDLO Cc1c(C(=O)Nc2nc3c(s2)C[N@H+](Cc2ccccc2)CC3)cccc1[N+](=O)[O-] ZINC000003560508 845039810 /nfs/dbraw/zinc/03/98/10/845039810.db2.gz DHAMLTYFWKSSDF-UHFFFAOYSA-N 1 2 408.483 4.170 20 5 HIBDLO Cc1c(C(=O)Nc2nc3c(s2)C[N@@H+](Cc2ccccc2)CC3)cccc1[N+](=O)[O-] ZINC000003560508 845039821 /nfs/dbraw/zinc/03/98/21/845039821.db2.gz DHAMLTYFWKSSDF-UHFFFAOYSA-N 1 2 408.483 4.170 20 5 HIBDLO C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)Cc1ccc(Br)cc1 ZINC000007915669 845445955 /nfs/dbraw/zinc/44/59/55/845445955.db2.gz GYYRMTKDYBNSGJ-UHFFFAOYSA-N 1 2 412.671 4.081 20 5 HIBDLO C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)Cc1ccc(Br)cc1 ZINC000007915669 845445962 /nfs/dbraw/zinc/44/59/62/845445962.db2.gz GYYRMTKDYBNSGJ-UHFFFAOYSA-N 1 2 412.671 4.081 20 5 HIBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000008201741 845491586 /nfs/dbraw/zinc/49/15/86/845491586.db2.gz YOCUYVHRTSBPPL-CQSZACIVSA-N 1 2 410.499 4.411 20 5 HIBDLO O=C(c1cc([N+](=O)[O-])ccc1Sc1ccccc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000015655616 846081249 /nfs/dbraw/zinc/08/12/49/846081249.db2.gz LYXFLSVOMMXBSH-UHFFFAOYSA-N 1 2 420.494 4.103 20 5 HIBDLO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000023182743 846666096 /nfs/dbraw/zinc/66/60/96/846666096.db2.gz MSVUIFWXSSDCDX-UHFFFAOYSA-N 1 2 408.285 4.250 20 5 HIBDLO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000023182743 846666100 /nfs/dbraw/zinc/66/61/00/846666100.db2.gz MSVUIFWXSSDCDX-UHFFFAOYSA-N 1 2 408.285 4.250 20 5 HIBDLO Cc1c(NC(=O)[C@H](C)[N@H+](C)Cc2ccc(Br)s2)cccc1[N+](=O)[O-] ZINC000026814553 847201799 /nfs/dbraw/zinc/20/17/99/847201799.db2.gz YVRWOQDOLAHGDE-NSHDSACASA-N 1 2 412.309 4.186 20 5 HIBDLO Cc1c(NC(=O)[C@H](C)[N@@H+](C)Cc2ccc(Br)s2)cccc1[N+](=O)[O-] ZINC000026814553 847201806 /nfs/dbraw/zinc/20/18/06/847201806.db2.gz YVRWOQDOLAHGDE-NSHDSACASA-N 1 2 412.309 4.186 20 5 HIBDLO COc1cc(C[N@H+](C)Cc2ccc(OC(F)F)cc2)c([N+](=O)[O-])cc1OC(F)F ZINC000027349516 847287171 /nfs/dbraw/zinc/28/71/71/847287171.db2.gz ZPJZFOASNUQVMW-UHFFFAOYSA-N 1 2 418.343 4.438 20 5 HIBDLO COc1cc(C[N@@H+](C)Cc2ccc(OC(F)F)cc2)c([N+](=O)[O-])cc1OC(F)F ZINC000027349516 847287179 /nfs/dbraw/zinc/28/71/79/847287179.db2.gz ZPJZFOASNUQVMW-UHFFFAOYSA-N 1 2 418.343 4.438 20 5 HIBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccc(F)cc3Cl)CC2)c2ncccc12 ZINC000029618584 847590324 /nfs/dbraw/zinc/59/03/24/847590324.db2.gz PKBLSTSFPRGSNP-UHFFFAOYSA-N 1 2 400.841 4.258 20 5 HIBDLO COc1cc([C@@H](C)NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)ccc1OC(C)C ZINC000032244593 847994683 /nfs/dbraw/zinc/99/46/83/847994683.db2.gz ROGIRMKJFAXJPJ-OAHLLOKOSA-N 1 2 424.457 4.067 20 5 HIBDLO O=C(N[C@@H]1CCSc2ccc(Cl)cc21)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000033224247 848128562 /nfs/dbraw/zinc/12/85/62/848128562.db2.gz LVFNELUOLHDIFI-OAHLLOKOSA-N 1 2 414.874 4.401 20 5 HIBDLO C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)Cc1ccccc1C(F)(F)F ZINC000043643408 848445698 /nfs/dbraw/zinc/44/56/98/848445698.db2.gz ULMUGBSNCPHITE-UHFFFAOYSA-N 1 2 401.772 4.338 20 5 HIBDLO C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)Cc1ccccc1C(F)(F)F ZINC000043643408 848445704 /nfs/dbraw/zinc/44/57/04/848445704.db2.gz ULMUGBSNCPHITE-UHFFFAOYSA-N 1 2 401.772 4.338 20 5 HIBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N(Cc1ccco1)Cc1cccs1 ZINC000045825661 848735654 /nfs/dbraw/zinc/73/56/54/848735654.db2.gz JWMLUQYNILPOBN-UHFFFAOYSA-N 1 2 408.439 4.278 20 5 HIBDLO CC[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000051424284 849467522 /nfs/dbraw/zinc/46/75/22/849467522.db2.gz FUEAMGFAPGYIPB-UHFFFAOYSA-N 1 2 411.380 4.083 20 5 HIBDLO CC[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000051424284 849467524 /nfs/dbraw/zinc/46/75/24/849467524.db2.gz FUEAMGFAPGYIPB-UHFFFAOYSA-N 1 2 411.380 4.083 20 5 HIBDLO Cc1ccc(C[NH2+][C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)cn1 ZINC000056171942 850271291 /nfs/dbraw/zinc/27/12/91/850271291.db2.gz IZORMYXRAAJCRA-HXUWFJFHSA-N 1 2 410.861 4.421 20 5 HIBDLO COc1cc(C[NH+]2CCN(c3cccc(C)c3C)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000058452208 850828825 /nfs/dbraw/zinc/82/88/25/850828825.db2.gz DJELZKVAGYJSFZ-UHFFFAOYSA-N 1 2 421.444 4.144 20 5 HIBDLO O=C(Nc1ccc(Oc2ccccc2)nc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000065750704 852244113 /nfs/dbraw/zinc/24/41/13/852244113.db2.gz DGWVUZSSEMVOGG-UHFFFAOYSA-N 1 2 401.382 4.220 20 5 HIBDLO O=C(C[N@@H+](Cc1cccc(F)c1)C[C@H]1CCCO1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000072050103 852486787 /nfs/dbraw/zinc/48/67/87/852486787.db2.gz LNVMAGWSFRTCNC-QGZVFWFLSA-N 1 2 421.856 4.007 20 5 HIBDLO O=C(C[N@H+](Cc1cccc(F)c1)C[C@H]1CCCO1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000072050103 852486791 /nfs/dbraw/zinc/48/67/91/852486791.db2.gz LNVMAGWSFRTCNC-QGZVFWFLSA-N 1 2 421.856 4.007 20 5 HIBDLO O=C(Nc1cccc(Oc2ccncc2)c1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000078991940 852537407 /nfs/dbraw/zinc/53/74/07/852537407.db2.gz OWXLJFTVOMPDIX-UHFFFAOYSA-N 1 2 401.382 4.220 20 5 HIBDLO O=C(NCC[N@@H+]1CCc2sccc2C1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000108817022 852882355 /nfs/dbraw/zinc/88/23/55/852882355.db2.gz LKAWHEQQVLVZOI-UHFFFAOYSA-N 1 2 423.494 4.237 20 5 HIBDLO O=C(NCC[N@H+]1CCc2sccc2C1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000108817022 852882358 /nfs/dbraw/zinc/88/23/58/852882358.db2.gz LKAWHEQQVLVZOI-UHFFFAOYSA-N 1 2 423.494 4.237 20 5 HIBDLO O=C(C[N@@H+](Cc1cccc(F)c1)C[C@@H]1CCCO1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000109572625 852987154 /nfs/dbraw/zinc/98/71/54/852987154.db2.gz NRKIXVXLBKSMBQ-KRWDZBQOSA-N 1 2 421.856 4.007 20 5 HIBDLO O=C(C[N@H+](Cc1cccc(F)c1)C[C@@H]1CCCO1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000109572625 852987160 /nfs/dbraw/zinc/98/71/60/852987160.db2.gz NRKIXVXLBKSMBQ-KRWDZBQOSA-N 1 2 421.856 4.007 20 5 HIBDLO CC(C)[C@@H]([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1nnc2ccccn21 ZINC000236762664 853920482 /nfs/dbraw/zinc/92/04/82/853920482.db2.gz AZBIBMDBHSLWPR-GOSISDBHSA-N 1 2 408.487 4.248 20 5 HIBDLO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]Cc3ccnc(OCC(F)(F)F)c3)cs2)c1 ZINC000237677517 854073967 /nfs/dbraw/zinc/07/39/67/854073967.db2.gz HAQKHZXCMJKGFE-UHFFFAOYSA-N 1 2 424.404 4.344 20 5 HIBDLO O=C1CCCN1C[C@H]([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccccc1 ZINC000238054662 854138408 /nfs/dbraw/zinc/13/84/08/854138408.db2.gz RTCGNXCQOSCFLR-FQEVSTJZSA-N 1 2 422.510 4.172 20 5 HIBDLO COc1ccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])c(C(F)(F)F)c3)CC2)cc1F ZINC000301055627 854282682 /nfs/dbraw/zinc/28/26/82/854282682.db2.gz CNCWGSUSDZKEQT-UHFFFAOYSA-N 1 2 413.371 4.084 20 5 HIBDLO O=[N+]([O-])c1ccc(NC[C@@H](c2cccs2)[NH+]2CCOCC2)cc1C(F)(F)F ZINC000301062577 854284558 /nfs/dbraw/zinc/28/45/58/854284558.db2.gz MJIYMTIJXQJDJY-HNNXBMFYSA-N 1 2 401.410 4.161 20 5 HIBDLO C[N@H+](Cc1cscn1)Cc1cccc(Nc2nc3sccn3c2[N+](=O)[O-])c1 ZINC000301286660 854348511 /nfs/dbraw/zinc/34/85/11/854348511.db2.gz VOCMENVHLPAJKR-UHFFFAOYSA-N 1 2 400.489 4.136 20 5 HIBDLO C[N@@H+](Cc1cscn1)Cc1cccc(Nc2nc3sccn3c2[N+](=O)[O-])c1 ZINC000301286660 854348515 /nfs/dbraw/zinc/34/85/15/854348515.db2.gz VOCMENVHLPAJKR-UHFFFAOYSA-N 1 2 400.489 4.136 20 5 HIBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410330091 855932119 /nfs/dbraw/zinc/93/21/19/855932119.db2.gz WTDVKXSNJWGFHU-RBUKOAKNSA-N 1 2 410.518 4.103 20 5 HIBDLO CCc1ccc([C@H]([NH2+]Cc2cc3ccccc3n(C)c2=O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000426314696 856240443 /nfs/dbraw/zinc/24/04/43/856240443.db2.gz QSLYTLZCNIVKPT-HSZRJFAPSA-N 1 2 417.465 4.481 20 5 HIBDLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437546623 862878668 /nfs/dbraw/zinc/87/86/68/862878668.db2.gz JXWMIRUBZIXLGW-UHFFFAOYSA-N 1 2 415.519 4.234 20 5 HIBDLO C[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@@H+]1CC[C@H]1c1ccccc1 ZINC000437574649 862893846 /nfs/dbraw/zinc/89/38/46/862893846.db2.gz DESHEZAUCLKUDA-LIRRHRJNSA-N 1 2 408.483 4.492 20 5 HIBDLO C[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@H+]1CC[C@H]1c1ccccc1 ZINC000437574649 862893856 /nfs/dbraw/zinc/89/38/56/862893856.db2.gz DESHEZAUCLKUDA-LIRRHRJNSA-N 1 2 408.483 4.492 20 5 HIBDLO Cc1ccc([C@H](C)NC(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)cc1[N+](=O)[O-] ZINC000429077242 857496904 /nfs/dbraw/zinc/49/69/04/857496904.db2.gz VGMYFHNRLPFGLQ-DLBZAZTESA-N 1 2 412.490 4.179 20 5 HIBDLO C[C@@H]1CC[S@@](=O)CC[N@@H+]1Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000433034954 859492202 /nfs/dbraw/zinc/49/22/02/859492202.db2.gz VAVGTCFYDOEDNE-LOKFHWFJSA-N 1 2 408.907 4.383 20 5 HIBDLO C[C@@H]1CC[S@@](=O)CC[N@H+]1Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000433034954 859492207 /nfs/dbraw/zinc/49/22/07/859492207.db2.gz VAVGTCFYDOEDNE-LOKFHWFJSA-N 1 2 408.907 4.383 20 5 HIBDLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437911343 863286819 /nfs/dbraw/zinc/28/68/19/863286819.db2.gz BDXQCICCTUYJPU-UHFFFAOYSA-N 1 2 414.409 4.308 20 5 HIBDLO Cc1c(CC(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000439048335 864499957 /nfs/dbraw/zinc/49/99/57/864499957.db2.gz BWVOTUDWMJSRTA-IBGZPJMESA-N 1 2 419.884 4.192 20 5 HIBDLO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000439122221 864558198 /nfs/dbraw/zinc/55/81/98/864558198.db2.gz HSHKERRIDISBQF-GJZGRUSLSA-N 1 2 417.893 4.418 20 5 HIBDLO O=C(C1CC(F)(F)C1)N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000440567419 865820562 /nfs/dbraw/zinc/82/05/62/865820562.db2.gz HKDTVTSLLJJBGR-UHFFFAOYSA-N 1 2 421.469 4.013 20 5 HIBDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000440807431 865926974 /nfs/dbraw/zinc/92/69/74/865926974.db2.gz HZXZJQXNBQCMNZ-UTKZUKDTSA-N 1 2 407.474 4.210 20 5 HIBDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)Nc3c(C)ccc([N+](=O)[O-])c3C)CC2)c1 ZINC000443953367 868489926 /nfs/dbraw/zinc/48/99/26/868489926.db2.gz SWWYHYCYWGTWJK-KRWDZBQOSA-N 1 2 412.490 4.131 20 5 HIBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000444173114 868648444 /nfs/dbraw/zinc/64/84/44/868648444.db2.gz SWZDEEIVQBUERK-RDJZCZTQSA-N 1 2 417.893 4.114 20 5 HIBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000444173114 868648461 /nfs/dbraw/zinc/64/84/61/868648461.db2.gz SWZDEEIVQBUERK-RDJZCZTQSA-N 1 2 417.893 4.114 20 5 HIBDLO C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccc(Br)s1 ZINC000444534598 868872394 /nfs/dbraw/zinc/87/23/94/868872394.db2.gz INPNVZTXWVDLKL-JTQLQIEISA-N 1 2 421.276 4.096 20 5 HIBDLO Cc1c(NC(=O)CC[N@H+]2C[C@@H](c3cccc(Cl)c3)OC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000444699797 868963925 /nfs/dbraw/zinc/96/39/25/868963925.db2.gz FCBFWJWYIFMSRA-XOBRGWDASA-N 1 2 417.893 4.347 20 5 HIBDLO Cc1c(NC(=O)CC[N@@H+]2C[C@@H](c3cccc(Cl)c3)OC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000444699797 868963934 /nfs/dbraw/zinc/96/39/34/868963934.db2.gz FCBFWJWYIFMSRA-XOBRGWDASA-N 1 2 417.893 4.347 20 5 HIBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H](c2cccc(Cl)c2)OC[C@H]1C ZINC000444708360 868967950 /nfs/dbraw/zinc/96/79/50/868967950.db2.gz QHMMBZCWJJAYMM-QRWLVFNGSA-N 1 2 417.893 4.347 20 5 HIBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H](c2cccc(Cl)c2)OC[C@H]1C ZINC000444708360 868967955 /nfs/dbraw/zinc/96/79/55/868967955.db2.gz QHMMBZCWJJAYMM-QRWLVFNGSA-N 1 2 417.893 4.347 20 5 HIBDLO CC[N@@H+]1CC[C@@H](NC(=O)c2c(C)cccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000446303685 870229036 /nfs/dbraw/zinc/22/90/36/870229036.db2.gz WKLDVIPMTJTDOB-APWZRJJASA-N 1 2 405.857 4.261 20 5 HIBDLO CC[N@H+]1CC[C@@H](NC(=O)c2c(C)cccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000446303685 870229049 /nfs/dbraw/zinc/22/90/49/870229049.db2.gz WKLDVIPMTJTDOB-APWZRJJASA-N 1 2 405.857 4.261 20 5 HIBDLO CCN(CC)C(=O)[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccccc1 ZINC000447399086 871309198 /nfs/dbraw/zinc/30/91/98/871309198.db2.gz UUOHJJROTVPFIU-SFHVURJKSA-N 1 2 409.408 4.313 20 5 HIBDLO COc1cc(Br)c(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)cc1O ZINC000468693528 882816458 /nfs/dbraw/zinc/81/64/58/882816458.db2.gz KQEVXLYQTOVMGA-UHFFFAOYSA-N 1 2 401.644 4.015 20 5 HIBDLO Cc1ccc([C@H](C)NC(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)cc1[N+](=O)[O-] ZINC000462204181 875313057 /nfs/dbraw/zinc/31/30/57/875313057.db2.gz UHAXTSITLHECKM-HOTGVXAUSA-N 1 2 402.520 4.114 20 5 HIBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000462519696 875636818 /nfs/dbraw/zinc/63/68/18/875636818.db2.gz WZRDGVOIROHJCZ-IBGZPJMESA-N 1 2 422.485 4.213 20 5 HIBDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000463085389 876116338 /nfs/dbraw/zinc/11/63/38/876116338.db2.gz PZVYFFWXKRZYQD-LBPRGKRZSA-N 1 2 413.421 4.194 20 5 HIBDLO COc1cc(C[N@H+](C)[C@@H]2c3cc(Cl)cc(Cl)c3C[C@H]2O)c([N+](=O)[O-])cc1F ZINC000463482307 876539592 /nfs/dbraw/zinc/53/95/92/876539592.db2.gz JJJQHUYMRSVOEY-SJLPKXTDSA-N 1 2 415.248 4.139 20 5 HIBDLO COc1cc(C[N@@H+](C)[C@@H]2c3cc(Cl)cc(Cl)c3C[C@H]2O)c([N+](=O)[O-])cc1F ZINC000463482307 876539599 /nfs/dbraw/zinc/53/95/99/876539599.db2.gz JJJQHUYMRSVOEY-SJLPKXTDSA-N 1 2 415.248 4.139 20 5 HIBDLO C[C@H](c1cccc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000463867319 876987728 /nfs/dbraw/zinc/98/77/28/876987728.db2.gz STSJEFDYLPIVOD-CYBMUJFWSA-N 1 2 423.391 4.259 20 5 HIBDLO CCc1ccc(-c2noc(C[NH+]3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)n2)cc1 ZINC000464786362 878034314 /nfs/dbraw/zinc/03/43/14/878034314.db2.gz XFJHACMCQNHDOZ-UHFFFAOYSA-N 1 2 408.458 4.251 20 5 HIBDLO COc1cc(C[NH2+]C(C)(C)c2nc(C)c(C)s2)c([N+](=O)[O-])cc1OC(F)F ZINC000464806634 878054382 /nfs/dbraw/zinc/05/43/82/878054382.db2.gz QQZMMMFWCLJVIM-UHFFFAOYSA-N 1 2 401.435 4.303 20 5 HIBDLO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)NCc3ccc([N+](=O)[O-])cc3Cl)c2C1 ZINC000466286701 880029703 /nfs/dbraw/zinc/02/97/03/880029703.db2.gz GPTFCYKNFMOMTN-UHFFFAOYSA-N 1 2 424.888 4.104 20 5 HIBDLO CC[N@H+]1CCc2nc3ccccc3c(C(=O)NCc3ccc([N+](=O)[O-])cc3Cl)c2C1 ZINC000466286701 880029725 /nfs/dbraw/zinc/02/97/25/880029725.db2.gz GPTFCYKNFMOMTN-UHFFFAOYSA-N 1 2 424.888 4.104 20 5 HIBDLO C[N@H+](C[C@H]1CCCCO1)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000467197020 880926979 /nfs/dbraw/zinc/92/69/79/880926979.db2.gz RMHWKCAOYFJLJZ-YLJYHZDGSA-N 1 2 417.893 4.429 20 5 HIBDLO C[N@@H+](C[C@H]1CCCCO1)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000467197020 880926983 /nfs/dbraw/zinc/92/69/83/880926983.db2.gz RMHWKCAOYFJLJZ-YLJYHZDGSA-N 1 2 417.893 4.429 20 5 HIBDLO O=[N+]([O-])c1cc(C[NH+]2CCC(=Cc3ccc(F)c(F)c3)CC2)c2c(c1)COCO2 ZINC000469446148 883643031 /nfs/dbraw/zinc/64/30/31/883643031.db2.gz LHEUYFLEXQPHQB-UHFFFAOYSA-N 1 2 402.397 4.419 20 5 HIBDLO O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000469692700 883873787 /nfs/dbraw/zinc/87/37/87/883873787.db2.gz JAIOGKIKPCRMTB-NRFANRHFSA-N 1 2 420.425 4.467 20 5 HIBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000471928895 886720104 /nfs/dbraw/zinc/72/01/04/886720104.db2.gz SLLVPSWMHBEUOZ-MSOLQXFVSA-N 1 2 406.845 4.263 20 5 HIBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000471928895 886720128 /nfs/dbraw/zinc/72/01/28/886720128.db2.gz SLLVPSWMHBEUOZ-MSOLQXFVSA-N 1 2 406.845 4.263 20 5 HIBDLO CC[N@@H+]1CC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000471928950 886720383 /nfs/dbraw/zinc/72/03/83/886720383.db2.gz TWTUPJBOLXZHMT-MJGOQNOKSA-N 1 2 422.407 4.278 20 5 HIBDLO CC[N@H+]1CC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000471928950 886720391 /nfs/dbraw/zinc/72/03/91/886720391.db2.gz TWTUPJBOLXZHMT-MJGOQNOKSA-N 1 2 422.407 4.278 20 5 HIBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000471928898 886720513 /nfs/dbraw/zinc/72/05/13/886720513.db2.gz SLLVPSWMHBEUOZ-ZWKOTPCHSA-N 1 2 406.845 4.263 20 5 HIBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000471928898 886720526 /nfs/dbraw/zinc/72/05/26/886720526.db2.gz SLLVPSWMHBEUOZ-ZWKOTPCHSA-N 1 2 406.845 4.263 20 5 HIBDLO O=C(NCc1ccn2cc[nH+]c2c1)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000474629961 889491085 /nfs/dbraw/zinc/49/10/85/889491085.db2.gz OTOYIRPHWJQISS-UHFFFAOYSA-N 1 2 403.398 4.357 20 5 HIBDLO O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CC[NH+](Cc2cccs2)CC1 ZINC000475204172 890075237 /nfs/dbraw/zinc/07/52/37/890075237.db2.gz GIKAXGZRIKYANH-UHFFFAOYSA-N 1 2 414.409 4.025 20 5 HIBDLO O=[N+]([O-])c1cc(C[NH2+]Cc2ncnn2-c2ccccc2)ccc1Oc1ccc(F)cc1 ZINC000475292171 890198154 /nfs/dbraw/zinc/19/81/54/890198154.db2.gz RKZHZPYFTXZGSQ-UHFFFAOYSA-N 1 2 419.416 4.397 20 5 HIBDLO CCC[C@@H]([NH2+][C@@H](C(N)=O)c1cccc(Br)c1)c1cccc([N+](=O)[O-])c1 ZINC000479475097 894798059 /nfs/dbraw/zinc/79/80/59/894798059.db2.gz LAWRZPBXHQEDJS-IAGOWNOFSA-N 1 2 406.280 4.015 20 5 HIBDLO COc1cccc(C([NH2+]Cc2cc([N+](=O)[O-])ccc2OC)c2cccc(OC)c2)c1 ZINC000480337972 895742900 /nfs/dbraw/zinc/74/29/00/895742900.db2.gz AVJBKNMSQSLVBG-UHFFFAOYSA-N 1 2 408.454 4.500 20 5 HIBDLO C[N@@H+]1CC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@H]1c1ccc(F)c(F)c1 ZINC000481200892 896554160 /nfs/dbraw/zinc/55/41/60/896554160.db2.gz PHBJCABTRVRIRP-DLBZAZTESA-N 1 2 410.808 4.093 20 5 HIBDLO C[N@H+]1CC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@H]1c1ccc(F)c(F)c1 ZINC000481200892 896554171 /nfs/dbraw/zinc/55/41/71/896554171.db2.gz PHBJCABTRVRIRP-DLBZAZTESA-N 1 2 410.808 4.093 20 5 HIBDLO O=C(N[C@H]1C[C@H]1c1ccccc1C(F)(F)F)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000505483982 914165036 /nfs/dbraw/zinc/16/50/36/914165036.db2.gz NYXQUZAFYVWHNR-HOCLYGCPSA-N 1 2 416.359 4.085 20 5 HIBDLO CC[C@](C)([NH2+]Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-])c1nc(C)cs1 ZINC000505592472 914298892 /nfs/dbraw/zinc/29/88/92/914298892.db2.gz SMKHHXXJYLXOFA-SFHVURJKSA-N 1 2 415.462 4.427 20 5 HIBDLO CCOC(=O)c1csc([C@H]2CCC[N@@H+]2C/C(C)=C/c2cccc([N+](=O)[O-])c2)n1 ZINC000483400078 899034097 /nfs/dbraw/zinc/03/40/97/899034097.db2.gz CNNZFXMPYSPOGA-PMXLPMHFSA-N 1 2 401.488 4.468 20 5 HIBDLO CCOC(=O)c1csc([C@H]2CCC[N@H+]2C/C(C)=C/c2cccc([N+](=O)[O-])c2)n1 ZINC000483400078 899034112 /nfs/dbraw/zinc/03/41/12/899034112.db2.gz CNNZFXMPYSPOGA-PMXLPMHFSA-N 1 2 401.488 4.468 20 5 HIBDLO CC[C@H](c1ccc(Br)cc1)[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000505605591 914310721 /nfs/dbraw/zinc/31/07/21/914310721.db2.gz DKPKDTLEXZLZGL-MRXNPFEDSA-N 1 2 405.296 4.026 20 5 HIBDLO CSc1cccc(C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)c1[N+](=O)[O-] ZINC000485522260 900805009 /nfs/dbraw/zinc/80/50/09/900805009.db2.gz XORKSMZPWWHYME-UHFFFAOYSA-N 1 2 400.504 4.022 20 5 HIBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)CC(=O)Nc1ccccc1Br ZINC000485743164 900998463 /nfs/dbraw/zinc/99/84/63/900998463.db2.gz JPXPPFZPNIKILR-ZDUSSCGKSA-N 1 2 406.280 4.297 20 5 HIBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](C)CC(=O)Nc1ccccc1Br ZINC000485743164 900998470 /nfs/dbraw/zinc/99/84/70/900998470.db2.gz JPXPPFZPNIKILR-ZDUSSCGKSA-N 1 2 406.280 4.297 20 5 HIBDLO O=C(NCCc1cn2c([nH+]1)CCCC2)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000487000898 902008462 /nfs/dbraw/zinc/00/84/62/902008462.db2.gz PRKDKULHPPMALY-UHFFFAOYSA-N 1 2 422.510 4.251 20 5 HIBDLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000489565676 903467857 /nfs/dbraw/zinc/46/78/57/903467857.db2.gz UONMJSDTBLTKTC-UHFFFAOYSA-N 1 2 415.519 4.234 20 5 HIBDLO Cc1cc(C[N@@H+](Cc2csc([N+](=O)[O-])c2)CC(C)C)nc(N2CCCCC2)n1 ZINC000490998926 904358596 /nfs/dbraw/zinc/35/85/96/904358596.db2.gz RKLDBFSFVROGIX-UHFFFAOYSA-N 1 2 403.552 4.403 20 5 HIBDLO Cc1cc(C[N@H+](Cc2csc([N+](=O)[O-])c2)CC(C)C)nc(N2CCCCC2)n1 ZINC000490998926 904358604 /nfs/dbraw/zinc/35/86/04/904358604.db2.gz RKLDBFSFVROGIX-UHFFFAOYSA-N 1 2 403.552 4.403 20 5 HIBDLO Cc1c(NC(=O)[C@@H](C)[N@H+](C)Cc2ccc(Br)c(F)c2)cccc1[N+](=O)[O-] ZINC000494273046 905596285 /nfs/dbraw/zinc/59/62/85/905596285.db2.gz DXHDXOONWCBFCD-GFCCVEGCSA-N 1 2 424.270 4.264 20 5 HIBDLO Cc1c(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccc(Br)c(F)c2)cccc1[N+](=O)[O-] ZINC000494273046 905596299 /nfs/dbraw/zinc/59/62/99/905596299.db2.gz DXHDXOONWCBFCD-GFCCVEGCSA-N 1 2 424.270 4.264 20 5 HIBDLO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000512494768 921198939 /nfs/dbraw/zinc/19/89/39/921198939.db2.gz SEIDAVWRLSBRCG-KRWDZBQOSA-N 1 2 405.857 4.263 20 5 HIBDLO CC1CC[NH+](Cc2csc(NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000494917008 906090829 /nfs/dbraw/zinc/09/08/29/906090829.db2.gz LEAHPPMCNZKXOW-UHFFFAOYSA-N 1 2 402.520 4.200 20 5 HIBDLO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[NH+](Cc2scnc2C2CC2)CC1 ZINC000495055750 906208361 /nfs/dbraw/zinc/20/83/61/906208361.db2.gz AIYXXMUJKXVEEF-UHFFFAOYSA-N 1 2 412.437 4.270 20 5 HIBDLO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000512574779 921245008 /nfs/dbraw/zinc/24/50/08/921245008.db2.gz TZEHKEVSPBVNIA-LLVKDONJSA-N 1 2 421.240 4.493 20 5 HIBDLO O=C(Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000499046546 908418289 /nfs/dbraw/zinc/41/82/89/908418289.db2.gz UGZSRSKPHFRECE-UHFFFAOYSA-N 1 2 411.849 4.286 20 5 HIBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000513000511 921467022 /nfs/dbraw/zinc/46/70/22/921467022.db2.gz ZEIBVZNAWUKVOP-ACDBMABISA-N 1 2 402.454 4.331 20 5 HIBDLO O=C(CC[N@@H+]1CCO[C@H](c2cccc(C(F)(F)F)c2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000500104211 909586462 /nfs/dbraw/zinc/58/64/62/909586462.db2.gz NKPNDDAGDFJKQW-SFHVURJKSA-N 1 2 423.391 4.016 20 5 HIBDLO O=C(CC[N@H+]1CCO[C@H](c2cccc(C(F)(F)F)c2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000500104211 909586478 /nfs/dbraw/zinc/58/64/78/909586478.db2.gz NKPNDDAGDFJKQW-SFHVURJKSA-N 1 2 423.391 4.016 20 5 HIBDLO COC(=O)C[C@@](C)([NH2+]Cc1cc([N+](=O)[O-])ccc1OC(C)C)c1cccc(F)c1 ZINC000513121470 921566267 /nfs/dbraw/zinc/56/62/67/921566267.db2.gz DSEIJGBEDWUIDE-OAQYLSRUSA-N 1 2 404.438 4.089 20 5 HIBDLO C[C@@H]1CO[C@H](c2cccc(Cl)c2)C[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000501864216 910893256 /nfs/dbraw/zinc/89/32/56/910893256.db2.gz QIIMSRHACCLGMT-KUHUBIRLSA-N 1 2 403.866 4.039 20 5 HIBDLO C[C@@H]1CO[C@H](c2cccc(Cl)c2)C[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000501864216 910893266 /nfs/dbraw/zinc/89/32/66/910893266.db2.gz QIIMSRHACCLGMT-KUHUBIRLSA-N 1 2 403.866 4.039 20 5 HIBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CC=C(c3c[nH]c4ncccc34)CC2)c1 ZINC000506623386 915282060 /nfs/dbraw/zinc/28/20/60/915282060.db2.gz JUPHHHFZIOIENJ-UHFFFAOYSA-N 1 2 400.385 4.362 20 5 HIBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CC=C(c3c[nH]c4ncccc34)CC2)c1 ZINC000506623386 915282103 /nfs/dbraw/zinc/28/21/03/915282103.db2.gz JUPHHHFZIOIENJ-UHFFFAOYSA-N 1 2 400.385 4.362 20 5 HIBDLO Cn1cc(C[N@@H+]2CCn3cccc3[C@H]2c2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000507344061 916097561 /nfs/dbraw/zinc/09/75/61/916097561.db2.gz ZQRZEMMLJZFVPJ-XMMPIXPASA-N 1 2 413.481 4.402 20 5 HIBDLO Cn1cc(C[N@H+]2CCn3cccc3[C@H]2c2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000507344061 916097580 /nfs/dbraw/zinc/09/75/80/916097580.db2.gz ZQRZEMMLJZFVPJ-XMMPIXPASA-N 1 2 413.481 4.402 20 5 HIBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N(CC1CCCCC1)c1ccccn1 ZINC000507963586 916816717 /nfs/dbraw/zinc/81/67/17/916816717.db2.gz QXOAIECQNMDEEL-UHFFFAOYSA-N 1 2 405.458 4.403 20 5 HIBDLO O=[N+]([O-])c1cc(CN2CC[NH+](Cc3ccncc3)CC2)ccc1Oc1ccc(F)cc1 ZINC000508639823 917405730 /nfs/dbraw/zinc/40/57/30/917405730.db2.gz RZKKINYHEANFOE-UHFFFAOYSA-N 1 2 422.460 4.239 20 5 HIBDLO COc1ccc2[nH]cc(C3=CC[N@H+](CC(=O)Nc4c(C)cccc4[N+](=O)[O-])CC3)c2c1 ZINC000509565143 918214162 /nfs/dbraw/zinc/21/41/62/918214162.db2.gz ZXTCRNQKJMIYKL-UHFFFAOYSA-N 1 2 420.469 4.121 20 5 HIBDLO COc1ccc2[nH]cc(C3=CC[N@@H+](CC(=O)Nc4c(C)cccc4[N+](=O)[O-])CC3)c2c1 ZINC000509565143 918214179 /nfs/dbraw/zinc/21/41/79/918214179.db2.gz ZXTCRNQKJMIYKL-UHFFFAOYSA-N 1 2 420.469 4.121 20 5 HIBDLO CCOc1ccc(C2=CCN(C(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)CC2)cc1 ZINC000509592200 918241083 /nfs/dbraw/zinc/24/10/83/918241083.db2.gz NBDHQYSBSZYKJP-UHFFFAOYSA-N 1 2 418.453 4.109 20 5 HIBDLO 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C[C@H](NC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000532852921 931665168 /nfs/dbraw/zinc/66/51/68/931665168.db2.gz UWSCTMOGAJFPMQ-NXXSPTCGSA-N 1 2 420.872 4.193 20 5 HIBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H](c2ccccc2Cl)OC[C@@H]1C ZINC000532981975 931726037 /nfs/dbraw/zinc/72/60/37/931726037.db2.gz MEDNXCCHVJXZFL-YWZLYKJASA-N 1 2 417.893 4.347 20 5 HIBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H](c2ccccc2Cl)OC[C@@H]1C ZINC000532981975 931726040 /nfs/dbraw/zinc/72/60/40/931726040.db2.gz MEDNXCCHVJXZFL-YWZLYKJASA-N 1 2 417.893 4.347 20 5 HIBDLO C[C@@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000533395646 931857296 /nfs/dbraw/zinc/85/72/96/931857296.db2.gz OSSJIDOHASLVCR-AWEZNQCLSA-N 1 2 407.392 4.133 20 5 HIBDLO CN(C)c1cccc([C@H]2CCC[N@@H+]2CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000533428718 931865764 /nfs/dbraw/zinc/86/57/64/931865764.db2.gz ZMYKEMRAGFBBPL-LJQANCHMSA-N 1 2 402.882 4.090 20 5 HIBDLO CN(C)c1cccc([C@H]2CCC[N@H+]2CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000533428718 931865767 /nfs/dbraw/zinc/86/57/67/931865767.db2.gz ZMYKEMRAGFBBPL-LJQANCHMSA-N 1 2 402.882 4.090 20 5 HIBDLO C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534394176 932420454 /nfs/dbraw/zinc/42/04/54/932420454.db2.gz WWLHDQFDYDAZQI-RTBURBONSA-N 1 2 419.884 4.227 20 5 HIBDLO C[N@H+]1CC[C@@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534394176 932420457 /nfs/dbraw/zinc/42/04/57/932420457.db2.gz WWLHDQFDYDAZQI-RTBURBONSA-N 1 2 419.884 4.227 20 5 HIBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCCC[C@H]1CCc1ccccc1 ZINC000535523637 933213885 /nfs/dbraw/zinc/21/38/85/933213885.db2.gz FZTILBOBFCRDJV-FQEVSTJZSA-N 1 2 404.470 4.408 20 5 HIBDLO O=C(CC[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1)Nc1c(Cl)cccc1Cl ZINC000562907238 945148141 /nfs/dbraw/zinc/14/81/41/945148141.db2.gz LAISRLINDQYZOK-UHFFFAOYSA-N 1 2 410.257 4.125 20 5 HIBDLO O=C(CC[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1)Nc1c(Cl)cccc1Cl ZINC000562907238 945148146 /nfs/dbraw/zinc/14/81/46/945148146.db2.gz LAISRLINDQYZOK-UHFFFAOYSA-N 1 2 410.257 4.125 20 5 HIBDLO CC[N@@H+]1CC[C@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538053498 938486390 /nfs/dbraw/zinc/48/63/90/938486390.db2.gz SECPBUVUHVJNEK-RBUKOAKNSA-N 1 2 420.872 4.022 20 5 HIBDLO CC[N@H+]1CC[C@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538053498 938486400 /nfs/dbraw/zinc/48/64/00/938486400.db2.gz SECPBUVUHVJNEK-RBUKOAKNSA-N 1 2 420.872 4.022 20 5 HIBDLO C[C@H](c1cccc(F)c1)[NH+]1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000538783339 938709742 /nfs/dbraw/zinc/70/97/42/938709742.db2.gz KJDTXVSADYROKO-MRXNPFEDSA-N 1 2 410.449 4.268 20 5 HIBDLO O=[N+]([O-])c1ccc(-c2ccc(CNc3ccc(N4CCOCC4)c[nH+]3)o2)c(Cl)c1 ZINC000539458005 938863758 /nfs/dbraw/zinc/86/37/58/938863758.db2.gz BWPAOEMAZHOUDB-UHFFFAOYSA-N 1 2 414.849 4.352 20 5 HIBDLO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000539689380 938902211 /nfs/dbraw/zinc/90/22/11/938902211.db2.gz JIKLBILLBPSWQO-MRXNPFEDSA-N 1 2 417.469 4.339 20 5 HIBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539701737 938906735 /nfs/dbraw/zinc/90/67/35/938906735.db2.gz BGXZTXCPUNUBCJ-OALUTQOASA-N 1 2 420.872 4.045 20 5 HIBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539701737 938906736 /nfs/dbraw/zinc/90/67/36/938906736.db2.gz BGXZTXCPUNUBCJ-OALUTQOASA-N 1 2 420.872 4.045 20 5 HIBDLO CC[N@@H+]1CC[C@@H](NC(=O)c2cccc(C)c2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540224038 939139509 /nfs/dbraw/zinc/13/95/09/939139509.db2.gz NKHKBDVTQHMDEJ-MJGOQNOKSA-N 1 2 405.857 4.261 20 5 HIBDLO CC[N@H+]1CC[C@@H](NC(=O)c2cccc(C)c2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540224038 939139528 /nfs/dbraw/zinc/13/95/28/939139528.db2.gz NKHKBDVTQHMDEJ-MJGOQNOKSA-N 1 2 405.857 4.261 20 5 HIBDLO CC[C@@H]([NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1ccccc1OC(F)F ZINC000540351254 939203078 /nfs/dbraw/zinc/20/30/78/939203078.db2.gz GRYFLIRHOZMSEG-OAHLLOKOSA-N 1 2 404.373 4.487 20 5 HIBDLO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000540738117 939354122 /nfs/dbraw/zinc/35/41/22/939354122.db2.gz ONBGJVQSZMFHSO-UHFFFAOYSA-N 1 2 414.531 4.281 20 5 HIBDLO CO[C@@H](C)c1nc(CN2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3Cl)CC2)cs1 ZINC000541070364 939449735 /nfs/dbraw/zinc/44/97/35/939449735.db2.gz XRMGROGUFSRHSI-AWEZNQCLSA-N 1 2 424.954 4.120 20 5 HIBDLO CO[C@@H](C)c1nc(CN2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3Cl)CC2)cs1 ZINC000541070364 939449743 /nfs/dbraw/zinc/44/97/43/939449743.db2.gz XRMGROGUFSRHSI-AWEZNQCLSA-N 1 2 424.954 4.120 20 5 HIBDLO CCc1ccc([C@H]([NH2+]Cc2ccc(C(=O)OC)c(OC)c2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000542495505 939832705 /nfs/dbraw/zinc/83/27/05/939832705.db2.gz XCEYSURORLJNNM-JOCHJYFZSA-N 1 2 424.453 4.425 20 5 HIBDLO 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CC[C@@H]([NH2+][C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1nccs1 ZINC000543453073 940067804 /nfs/dbraw/zinc/06/78/04/940067804.db2.gz FBGVPTASZNRVQD-BXUZGUMPSA-N 1 2 417.516 4.243 20 5 HIBDLO C[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1nc(-c2ccc(Br)cc2)cs1 ZINC000543495802 940084307 /nfs/dbraw/zinc/08/43/07/940084307.db2.gz SQYZOGAFEDITMM-JTQLQIEISA-N 1 2 422.308 4.065 20 5 HIBDLO CC[C@H]([NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-])c1nc(C(F)(F)F)cs1 ZINC000544453921 940437652 /nfs/dbraw/zinc/43/76/52/940437652.db2.gz YAUAVDPSSILDHE-JTQLQIEISA-N 1 2 402.398 4.058 20 5 HIBDLO CC[C@@H]([NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C)c1nc(C(F)(F)F)cs1 ZINC000544461840 940440981 /nfs/dbraw/zinc/44/09/81/940440981.db2.gz RHGLQSNRUDMISE-LLVKDONJSA-N 1 2 402.398 4.058 20 5 HIBDLO O=[N+]([O-])c1ccn(CC[NH2+]C2(c3noc(C4CCCCC4)n3)CCCCCC2)n1 ZINC000544526748 940471896 /nfs/dbraw/zinc/47/18/96/940471896.db2.gz CKRDMQSQXOSMTN-UHFFFAOYSA-N 1 2 402.499 4.061 20 5 HIBDLO O=C(Nc1ncc(-c2ccccc2F)s1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000549016164 941143794 /nfs/dbraw/zinc/14/37/94/941143794.db2.gz PHWLYPLVIOKRIQ-UHFFFAOYSA-N 1 2 409.402 4.295 20 5 HIBDLO COc1ccc(C[C@H]([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])c2ccccc2)cc1OC ZINC000549928254 941240423 /nfs/dbraw/zinc/24/04/23/941240423.db2.gz LNYIVHMSFBPEOZ-FQEVSTJZSA-N 1 2 408.454 4.391 20 5 HIBDLO CCc1nc(C[NH+]2CCC(CNc3ccc([N+](=O)[O-])c(C(C)=O)c3)CC2)cs1 ZINC000553057433 941825840 /nfs/dbraw/zinc/82/58/40/941825840.db2.gz CUMAUKJOWVFWGS-UHFFFAOYSA-N 1 2 402.520 4.140 20 5 HIBDLO C[C@@H]([NH2+][C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(-n2cccn2)c(F)c1 ZINC000555590833 942658443 /nfs/dbraw/zinc/65/84/43/942658443.db2.gz FCGHQRVLUNLMJR-KGLIPLIRSA-N 1 2 422.420 4.381 20 5 HIBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000558513048 943582783 /nfs/dbraw/zinc/58/27/83/943582783.db2.gz CDRMJLAYRXVJSU-HKUYNNGSSA-N 1 2 404.417 4.002 20 5 HIBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000558513048 943582791 /nfs/dbraw/zinc/58/27/91/943582791.db2.gz CDRMJLAYRXVJSU-HKUYNNGSSA-N 1 2 404.417 4.002 20 5 HIBDLO CCOC(=O)c1sc([C@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)nc1C ZINC000559151294 943854222 /nfs/dbraw/zinc/85/42/22/943854222.db2.gz GSDSSNAGDJZLMY-JTQLQIEISA-N 1 2 417.409 4.406 20 5 HIBDLO COc1c(C)c[nH+]c(CN(C)C(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)c1C ZINC000436226525 861527545 /nfs/dbraw/zinc/52/75/45/861527545.db2.gz ITIFMHSEKWZOLU-UHFFFAOYSA-N 1 2 419.456 4.113 20 5 HIBDLO C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)Cc1ccc(C(F)(F)F)cc1 ZINC000008092479 845473322 /nfs/dbraw/zinc/47/33/22/845473322.db2.gz JACSGUGYCNTODH-UHFFFAOYSA-N 1 2 401.772 4.338 20 5 HIBDLO C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)Cc1ccc(C(F)(F)F)cc1 ZINC000008092479 845473328 /nfs/dbraw/zinc/47/33/28/845473328.db2.gz JACSGUGYCNTODH-UHFFFAOYSA-N 1 2 401.772 4.338 20 5 HIBDLO O=[N+]([O-])c1cccc(CSc2nnc(C[NH+]3CCCCC3)n2-c2ccccc2)c1 ZINC000012135266 845856202 /nfs/dbraw/zinc/85/62/02/845856202.db2.gz MWKLMKPNKFATKT-UHFFFAOYSA-N 1 2 409.515 4.454 20 5 HIBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCC(C(=O)c2ccccc2)CC1 ZINC000014321362 845936668 /nfs/dbraw/zinc/93/66/68/845936668.db2.gz QRZRAAGBNMVUBL-OAHLLOKOSA-N 1 2 406.442 4.301 20 5 HIBDLO C[C@H](c1nnc(Sc2ccc([N+](=O)[O-])cn2)n1-c1ccccc1)[NH+]1CCCCC1 ZINC000023616679 846729622 /nfs/dbraw/zinc/72/96/22/846729622.db2.gz SEMMWVWMQGEZRS-OAHLLOKOSA-N 1 2 410.503 4.269 20 5 HIBDLO O=C(C[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000024662758 846850969 /nfs/dbraw/zinc/85/09/69/846850969.db2.gz MVFCJFOUHDHKHH-CYBMUJFWSA-N 1 2 414.849 4.208 20 5 HIBDLO O=C(C[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000024662758 846850979 /nfs/dbraw/zinc/85/09/79/846850979.db2.gz MVFCJFOUHDHKHH-CYBMUJFWSA-N 1 2 414.849 4.208 20 5 HIBDLO O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CCc2c([nH+]cn2CCc2ccccc2)C1 ZINC000436414646 861767679 /nfs/dbraw/zinc/76/76/79/861767679.db2.gz JZCGHMRRPPPILK-UHFFFAOYSA-N 1 2 417.391 4.011 20 5 HIBDLO C[C@H](NC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1)c1cccc([N+](=O)[O-])c1 ZINC000047377853 849034902 /nfs/dbraw/zinc/03/49/02/849034902.db2.gz ZWBHAKMZDVZYFQ-KBPBESRZSA-N 1 2 403.508 4.166 20 5 HIBDLO C[C@H](NC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1)c1cccc([N+](=O)[O-])c1 ZINC000047377853 849034909 /nfs/dbraw/zinc/03/49/09/849034909.db2.gz ZWBHAKMZDVZYFQ-KBPBESRZSA-N 1 2 403.508 4.166 20 5 HIBDLO O=C(NC1CCN(c2cccc[nH+]2)CC1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000049766616 849326707 /nfs/dbraw/zinc/32/67/07/849326707.db2.gz ZVPNHUALYJLLOI-UHFFFAOYSA-N 1 2 418.453 4.181 20 5 HIBDLO Cc1c(CSc2nnc(C[NH+]3CCCC3)n2Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000059122151 850985926 /nfs/dbraw/zinc/98/59/26/850985926.db2.gz IBIXZPUELUIOCB-UHFFFAOYSA-N 1 2 423.542 4.431 20 5 HIBDLO CCCN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@H]1CCc2ccccc2C1 ZINC000072024142 852471284 /nfs/dbraw/zinc/47/12/84/852471284.db2.gz LAIUNPHUKHLOIG-FQEVSTJZSA-N 1 2 404.470 4.190 20 5 HIBDLO O=C(NCCc1cc(Cl)cc(Cl)c1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000109208008 852936113 /nfs/dbraw/zinc/93/61/13/852936113.db2.gz BHJFJVXVBAQUMU-UHFFFAOYSA-N 1 2 405.241 4.060 20 5 HIBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000213577469 853826087 /nfs/dbraw/zinc/82/60/87/853826087.db2.gz XLUZFUYXOCMFQU-GNJLHFKMSA-N 1 2 419.485 4.037 20 5 HIBDLO COc1cc(C[NH2+]Cc2cc(F)ccc2F)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000237299560 854001915 /nfs/dbraw/zinc/00/19/15/854001915.db2.gz UDPQMVFSABPURF-UHFFFAOYSA-N 1 2 406.307 4.113 20 5 HIBDLO C[C@@H]1C[C@@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C(=O)N1c1ccccc1 ZINC000237487004 854043035 /nfs/dbraw/zinc/04/30/35/854043035.db2.gz QVOFURHRLUWLAK-AUUYWEPGSA-N 1 2 408.483 4.002 20 5 HIBDLO Cc1ccc(Sc2ccc(C[NH2+][C@@H](C)c3nnc4n3CCC4)cc2[N+](=O)[O-])cc1 ZINC000237560093 854054507 /nfs/dbraw/zinc/05/45/07/854054507.db2.gz ZSARAKMESFDKHC-HNNXBMFYSA-N 1 2 409.515 4.443 20 5 HIBDLO Cn1cc(C[NH2+][C@H](c2nccs2)c2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237784286 854096997 /nfs/dbraw/zinc/09/69/97/854096997.db2.gz TUUKILKMXMKQSS-FQEVSTJZSA-N 1 2 405.483 4.331 20 5 HIBDLO Cc1ccc(Sc2ccc(C[NH2+]Cc3nnc4ccccn43)cc2[N+](=O)[O-])cc1 ZINC000237967451 854127250 /nfs/dbraw/zinc/12/72/50/854127250.db2.gz PIDHQVJMWLWVJP-UHFFFAOYSA-N 1 2 405.483 4.387 20 5 HIBDLO O=[N+]([O-])c1ccc(NC[C@H](c2cccs2)[NH+]2CCOCC2)cc1C(F)(F)F ZINC000301062578 854284429 /nfs/dbraw/zinc/28/44/29/854284429.db2.gz MJIYMTIJXQJDJY-OAHLLOKOSA-N 1 2 401.410 4.161 20 5 HIBDLO Cc1cnc(Sc2nnc([C@H](C)[NH+](C)C)n2-c2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000301453827 854398587 /nfs/dbraw/zinc/39/85/87/854398587.db2.gz RHICFLXUVOMHQV-LBPRGKRZSA-N 1 2 418.910 4.306 20 5 HIBDLO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1OC ZINC000303624145 855083692 /nfs/dbraw/zinc/08/36/92/855083692.db2.gz NNTZGFPANYGPLB-MRXNPFEDSA-N 1 2 419.865 4.041 20 5 HIBDLO COc1ccc([C@H]2CCC[N@H+]2CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1OC ZINC000303624145 855083700 /nfs/dbraw/zinc/08/37/00/855083700.db2.gz NNTZGFPANYGPLB-MRXNPFEDSA-N 1 2 419.865 4.041 20 5 HIBDLO O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410253864 855882743 /nfs/dbraw/zinc/88/27/43/855882743.db2.gz DJELTOOKWOHJLF-AWEZNQCLSA-N 1 2 410.499 4.362 20 5 HIBDLO Cn1c(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])nc2ccc(Br)cc21 ZINC000429245557 857571923 /nfs/dbraw/zinc/57/19/23/857571923.db2.gz CVJOTUNFQNRHQA-UHFFFAOYSA-N 1 2 403.280 4.269 20 5 HIBDLO O=C([C@H]1C[C@@H]1C1CC1)N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000431703017 858751077 /nfs/dbraw/zinc/75/10/77/858751077.db2.gz FEXCRTLQNUUPEN-MOPGFXCFSA-N 1 2 411.527 4.014 20 5 HIBDLO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000432725618 859322074 /nfs/dbraw/zinc/32/20/74/859322074.db2.gz OZSWBOHKYIUVST-UHFFFAOYSA-N 1 2 417.828 4.318 20 5 HIBDLO O=C([C@@H]1C[C@H]1C1CC1)N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000433857582 859938870 /nfs/dbraw/zinc/93/88/70/859938870.db2.gz FEXCRTLQNUUPEN-RBUKOAKNSA-N 1 2 411.527 4.014 20 5 HIBDLO O=C([C@H]1C[C@H]1C1CC1)N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000433857581 859938977 /nfs/dbraw/zinc/93/89/77/859938977.db2.gz FEXCRTLQNUUPEN-OALUTQOASA-N 1 2 411.527 4.014 20 5 HIBDLO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000435816213 861079772 /nfs/dbraw/zinc/07/97/72/861079772.db2.gz IKJQFWLKGAVCTE-JOCHJYFZSA-N 1 2 415.493 4.231 20 5 HIBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000439932593 865233292 /nfs/dbraw/zinc/23/32/92/865233292.db2.gz OMYARFWOXNMODV-TZIWHRDSSA-N 1 2 421.457 4.240 20 5 HIBDLO O=C(c1ccccc1Sc1ccccc1[N+](=O)[O-])N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000440903139 865998980 /nfs/dbraw/zinc/99/89/80/865998980.db2.gz LDMGNZOBAAUKNB-QGZVFWFLSA-N 1 2 421.478 4.435 20 5 HIBDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)c(C)c1 ZINC000442003599 867059260 /nfs/dbraw/zinc/05/92/60/867059260.db2.gz QMIQNHPDFULSJZ-IBGZPJMESA-N 1 2 403.442 4.061 20 5 HIBDLO O=C(c1ccccc1Sc1ccccc1[N+](=O)[O-])N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000442691008 867624387 /nfs/dbraw/zinc/62/43/87/867624387.db2.gz LDZAXIYQAOTMHH-UHFFFAOYSA-N 1 2 408.483 4.489 20 5 HIBDLO O=C(c1ccccc1Sc1ccccc1[N+](=O)[O-])N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000442691008 867624416 /nfs/dbraw/zinc/62/44/16/867624416.db2.gz LDZAXIYQAOTMHH-UHFFFAOYSA-N 1 2 408.483 4.489 20 5 HIBDLO COc1ccc2[nH]cc(C3=CC[N@H+](Cc4nc5cc([N+](=O)[O-])ccc5[nH]4)CC3)c2c1 ZINC000444654092 868933790 /nfs/dbraw/zinc/93/37/90/868933790.db2.gz XTEGOHNIGZNTJC-UHFFFAOYSA-N 1 2 403.442 4.250 20 5 HIBDLO COc1ccc2[nH]cc(C3=CC[N@@H+](Cc4nc5cc([N+](=O)[O-])ccc5[nH]4)CC3)c2c1 ZINC000444654092 868933794 /nfs/dbraw/zinc/93/37/94/868933794.db2.gz XTEGOHNIGZNTJC-UHFFFAOYSA-N 1 2 403.442 4.250 20 5 HIBDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)C1 ZINC000444675621 868953258 /nfs/dbraw/zinc/95/32/58/868953258.db2.gz MOPPGADPUNTFHN-QGZVFWFLSA-N 1 2 422.510 4.499 20 5 HIBDLO O=[N+]([O-])c1cc(-c2nc([C@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)ccc1Nc1ccccc1 ZINC000445814678 869837347 /nfs/dbraw/zinc/83/73/47/869837347.db2.gz AWOXTYJXEMYHAX-YLJYHZDGSA-N 1 2 421.457 4.314 20 5 HIBDLO O=[N+]([O-])c1cc(-c2nc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)ccc1Nc1ccccc1 ZINC000445814678 869837352 /nfs/dbraw/zinc/83/73/52/869837352.db2.gz AWOXTYJXEMYHAX-YLJYHZDGSA-N 1 2 421.457 4.314 20 5 HIBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000462495272 875608665 /nfs/dbraw/zinc/60/86/65/875608665.db2.gz KKEFATMMJVZAJB-MJGOQNOKSA-N 1 2 411.502 4.195 20 5 HIBDLO O=[N+]([O-])c1ccc(N2CCC(CCCn3cc[nH+]c3)CC2)nc1OCc1ccccc1 ZINC000462705960 875791443 /nfs/dbraw/zinc/79/14/43/875791443.db2.gz YHTHLTNUNNUJNN-UHFFFAOYSA-N 1 2 421.501 4.462 20 5 HIBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCN(C(=O)Cc2cccc(Cl)c2)[C@H](C)C1 ZINC000464777539 878021870 /nfs/dbraw/zinc/02/18/70/878021870.db2.gz VFTBNHCESHDNPR-HZPDHXFCSA-N 1 2 401.894 4.085 20 5 HIBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCN(C(=O)Cc2cccc(Cl)c2)[C@H](C)C1 ZINC000464777539 878021883 /nfs/dbraw/zinc/02/18/83/878021883.db2.gz VFTBNHCESHDNPR-HZPDHXFCSA-N 1 2 401.894 4.085 20 5 HIBDLO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(OCC3CC3)CC2)c([N+](=O)[O-])c1 ZINC000464819675 878073298 /nfs/dbraw/zinc/07/32/98/878073298.db2.gz UCXHAZFAMOPEFW-HSZRJFAPSA-N 1 2 423.513 4.474 20 5 HIBDLO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](c1ccccc1)[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000464844788 878118423 /nfs/dbraw/zinc/11/84/23/878118423.db2.gz CDPJYIDCVFRXAL-CTNGQTDRSA-N 1 2 415.877 4.040 20 5 HIBDLO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](c1ccccc1)[N@H+]1CC[C@]2(CCOC2)C1 ZINC000464844788 878118429 /nfs/dbraw/zinc/11/84/29/878118429.db2.gz CDPJYIDCVFRXAL-CTNGQTDRSA-N 1 2 415.877 4.040 20 5 HIBDLO Cc1c(NC(=O)[C@@H](C)[N@H+](C)Cc2csc(Br)c2)cccc1[N+](=O)[O-] ZINC000467190870 880917949 /nfs/dbraw/zinc/91/79/49/880917949.db2.gz JHCBAVNDAHXBBJ-LLVKDONJSA-N 1 2 412.309 4.186 20 5 HIBDLO Cc1c(NC(=O)[C@@H](C)[N@@H+](C)Cc2csc(Br)c2)cccc1[N+](=O)[O-] ZINC000467190870 880917955 /nfs/dbraw/zinc/91/79/55/880917955.db2.gz JHCBAVNDAHXBBJ-LLVKDONJSA-N 1 2 412.309 4.186 20 5 HIBDLO C[N@H+](C[C@@H]1CCCCO1)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000467197018 880926966 /nfs/dbraw/zinc/92/69/66/880926966.db2.gz RMHWKCAOYFJLJZ-PXNSSMCTSA-N 1 2 417.893 4.429 20 5 HIBDLO C[N@@H+](C[C@@H]1CCCCO1)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000467197018 880926972 /nfs/dbraw/zinc/92/69/72/880926972.db2.gz RMHWKCAOYFJLJZ-PXNSSMCTSA-N 1 2 417.893 4.429 20 5 HIBDLO O=C(c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000469430360 883614131 /nfs/dbraw/zinc/61/41/31/883614131.db2.gz PVXFEAXBDFOLOC-IBGZPJMESA-N 1 2 404.426 4.027 20 5 HIBDLO C[N@H+](CCOc1ccc(C(F)(F)F)cc1)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000469743147 883898818 /nfs/dbraw/zinc/89/88/18/883898818.db2.gz XJWMYSJHALGYOI-UHFFFAOYSA-N 1 2 422.363 4.174 20 5 HIBDLO C[N@@H+](CCOc1ccc(C(F)(F)F)cc1)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000469743147 883898822 /nfs/dbraw/zinc/89/88/22/883898822.db2.gz XJWMYSJHALGYOI-UHFFFAOYSA-N 1 2 422.363 4.174 20 5 HIBDLO Cc1ccc([C@@H]([NH2+]CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])c2ccccn2)cc1 ZINC000471074576 885596136 /nfs/dbraw/zinc/59/61/36/885596136.db2.gz MFAQDOLGAYBDBT-OAQYLSRUSA-N 1 2 410.861 4.269 20 5 HIBDLO COCCCC[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000471341030 885947667 /nfs/dbraw/zinc/94/76/67/885947667.db2.gz LKXQOFUEWJNUSA-IBGZPJMESA-N 1 2 408.458 4.068 20 5 HIBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000471928896 886720562 /nfs/dbraw/zinc/72/05/62/886720562.db2.gz SLLVPSWMHBEUOZ-QZTJIDSGSA-N 1 2 406.845 4.263 20 5 HIBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000471928896 886720571 /nfs/dbraw/zinc/72/05/71/886720571.db2.gz SLLVPSWMHBEUOZ-QZTJIDSGSA-N 1 2 406.845 4.263 20 5 HIBDLO C[C@@H]1OCC[C@@]12C[N@H+](Cc1ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c1)CCO2 ZINC000475296456 890204626 /nfs/dbraw/zinc/20/46/26/890204626.db2.gz VBWPJUHSKOTKFO-YCRPNKLZSA-N 1 2 418.877 4.420 20 5 HIBDLO C[C@@H]1OCC[C@@]12C[N@@H+](Cc1ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c1)CCO2 ZINC000475296456 890204641 /nfs/dbraw/zinc/20/46/41/890204641.db2.gz VBWPJUHSKOTKFO-YCRPNKLZSA-N 1 2 418.877 4.420 20 5 HIBDLO O=C(NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1)c1csc([N+](=O)[O-])c1 ZINC000504770773 913504296 /nfs/dbraw/zinc/50/42/96/913504296.db2.gz XUZJIBGUMIGARZ-UHFFFAOYSA-N 1 2 418.478 4.498 20 5 HIBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC(c2cccc(Cl)c2)CC1 ZINC000478224134 893384888 /nfs/dbraw/zinc/38/48/88/893384888.db2.gz HUAOLOVUUSBNKH-UHFFFAOYSA-N 1 2 410.861 4.454 20 5 HIBDLO CN(CCc1ccccc1[N+](=O)[O-])C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000478984119 894259339 /nfs/dbraw/zinc/25/93/39/894259339.db2.gz JUJQFLAABVBOLZ-UHFFFAOYSA-N 1 2 417.469 4.216 20 5 HIBDLO CCS(=O)(=O)c1ccc(C[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)s1 ZINC000479448088 894765696 /nfs/dbraw/zinc/76/56/96/894765696.db2.gz RRSYCWBDUDGOHG-FQEVSTJZSA-N 1 2 416.524 4.329 20 5 HIBDLO Cc1cc(-n2cc[nH+]c2)ccc1CSCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000479513423 894826227 /nfs/dbraw/zinc/82/62/27/894826227.db2.gz TYKQMEVNMHEJIQ-UHFFFAOYSA-N 1 2 424.482 4.320 20 5 HIBDLO O=C(NC1CC(F)(c2cccc(Cl)c2)C1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000482979461 898615695 /nfs/dbraw/zinc/61/56/95/898615695.db2.gz MUVBUHJMJMCPMP-UHFFFAOYSA-N 1 2 414.824 4.191 20 5 HIBDLO COc1ccc(CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)[C@@H](C)C2CC2)cc1 ZINC000484262924 899840567 /nfs/dbraw/zinc/84/05/67/899840567.db2.gz LDHIPUPEEVCCET-INIZCTEOSA-N 1 2 420.469 4.230 20 5 HIBDLO O=C(C[NH2+]C1(c2cc(C(F)(F)F)ccc2Cl)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000485001196 900353350 /nfs/dbraw/zinc/35/33/50/900353350.db2.gz HMOBNMVBLCXMRM-UHFFFAOYSA-N 1 2 413.783 4.484 20 5 HIBDLO CC(C)(C)Oc1cc(NC[C@H](c2cccs2)[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000485873215 901111412 /nfs/dbraw/zinc/11/14/12/901111412.db2.gz TWHVREYYBRVBLU-QGZVFWFLSA-N 1 2 405.520 4.319 20 5 HIBDLO CSc1cccc(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)c1[N+](=O)[O-] ZINC000485894205 901127404 /nfs/dbraw/zinc/12/74/04/901127404.db2.gz AEWWPCSSIVQYFJ-LBPRGKRZSA-N 1 2 406.533 4.257 20 5 HIBDLO CSc1cccc(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)c1[N+](=O)[O-] ZINC000485894205 901127409 /nfs/dbraw/zinc/12/74/09/901127409.db2.gz AEWWPCSSIVQYFJ-LBPRGKRZSA-N 1 2 406.533 4.257 20 5 HIBDLO C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[NH+]1CCC(C(F)F)CC1 ZINC000486139490 901328122 /nfs/dbraw/zinc/32/81/22/901328122.db2.gz UDAHCECKCMYYLS-LLVKDONJSA-N 1 2 410.446 4.022 20 5 HIBDLO CSc1cccc(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)c1[N+](=O)[O-] ZINC000486428865 901588371 /nfs/dbraw/zinc/58/83/71/901588371.db2.gz AVTBKDHOOFVYFV-UHFFFAOYSA-N 1 2 406.467 4.484 20 5 HIBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000490028147 903731752 /nfs/dbraw/zinc/73/17/52/903731752.db2.gz VKUNLHWYXGJUQY-OAHLLOKOSA-N 1 2 414.531 4.057 20 5 HIBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000490028147 903731760 /nfs/dbraw/zinc/73/17/60/903731760.db2.gz VKUNLHWYXGJUQY-OAHLLOKOSA-N 1 2 414.531 4.057 20 5 HIBDLO COC[C@@H](c1ccc(Cl)cc1)[N@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000490041604 903738210 /nfs/dbraw/zinc/73/82/10/903738210.db2.gz NHCWQMMCEQCBPG-KRWDZBQOSA-N 1 2 402.838 4.118 20 5 HIBDLO COC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000490041604 903738220 /nfs/dbraw/zinc/73/82/20/903738220.db2.gz NHCWQMMCEQCBPG-KRWDZBQOSA-N 1 2 402.838 4.118 20 5 HIBDLO O=C(C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)N(Cc1ccccc1)CC(F)(F)F ZINC000490825629 904270186 /nfs/dbraw/zinc/27/01/86/904270186.db2.gz KOMUBAGEQLZMFB-UHFFFAOYSA-N 1 2 421.419 4.150 20 5 HIBDLO O=C(C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)N(Cc1ccccc1)CC(F)(F)F ZINC000490825629 904270199 /nfs/dbraw/zinc/27/01/99/904270199.db2.gz KOMUBAGEQLZMFB-UHFFFAOYSA-N 1 2 421.419 4.150 20 5 HIBDLO COc1cc(C[N@H+](C)Cc2ccccc2N2CCCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000506135912 914818032 /nfs/dbraw/zinc/81/80/32/914818032.db2.gz HOVDKKZTLUBGPY-UHFFFAOYSA-N 1 2 421.444 4.437 20 5 HIBDLO COc1cc(C[N@@H+](C)Cc2ccccc2N2CCCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000506135912 914818036 /nfs/dbraw/zinc/81/80/36/914818036.db2.gz HOVDKKZTLUBGPY-UHFFFAOYSA-N 1 2 421.444 4.437 20 5 HIBDLO CC(C)c1ccc(C[NH+]2CCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4o3)CC2)cc1 ZINC000492905723 904945483 /nfs/dbraw/zinc/94/54/83/904945483.db2.gz DMCSSMXXMAFIKC-UHFFFAOYSA-N 1 2 407.470 4.422 20 5 HIBDLO COc1cc(C[NH2+]Cc2c(F)cccc2Cl)c([N+](=O)[O-])cc1OCC(F)F ZINC000494663332 905889561 /nfs/dbraw/zinc/88/95/61/905889561.db2.gz GFOISWKFHQIRAW-UHFFFAOYSA-N 1 2 404.772 4.330 20 5 HIBDLO C[N@@H+]1CCO[C@H]([C@H](Nc2ccc3ncccc3c2[N+](=O)[O-])c2ccc(Cl)cc2)C1 ZINC000497514506 907004608 /nfs/dbraw/zinc/00/46/08/907004608.db2.gz DPRZCPADVJQNNE-VQTJNVASSA-N 1 2 412.877 4.280 20 5 HIBDLO C[N@H+]1CCO[C@H]([C@H](Nc2ccc3ncccc3c2[N+](=O)[O-])c2ccc(Cl)cc2)C1 ZINC000497514506 907004625 /nfs/dbraw/zinc/00/46/25/907004625.db2.gz DPRZCPADVJQNNE-VQTJNVASSA-N 1 2 412.877 4.280 20 5 HIBDLO CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)cc1OC ZINC000499099199 908459862 /nfs/dbraw/zinc/45/98/62/908459862.db2.gz IJYKRVNCIHNTQY-UHFFFAOYSA-N 1 2 416.821 4.094 20 5 HIBDLO CS(=O)(=O)c1ccc(F)c(C[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)c1 ZINC000502551629 911559514 /nfs/dbraw/zinc/55/95/14/911559514.db2.gz ODUWXCPPCHIBQV-OAQYLSRUSA-N 1 2 414.458 4.017 20 5 HIBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000509197272 917901334 /nfs/dbraw/zinc/90/13/34/917901334.db2.gz QIVXOOPDQVQWQI-KGLIPLIRSA-N 1 2 420.560 4.403 20 5 HIBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000509197272 917901350 /nfs/dbraw/zinc/90/13/50/917901350.db2.gz QIVXOOPDQVQWQI-KGLIPLIRSA-N 1 2 420.560 4.403 20 5 HIBDLO O=C(NC[C@H]1CCC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1)Nc1cccc(F)c1 ZINC000509389954 918056727 /nfs/dbraw/zinc/05/67/27/918056727.db2.gz VPPXBBSEYBDIND-CYBMUJFWSA-N 1 2 422.407 4.046 20 5 HIBDLO O=C(NC[C@H]1CCC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1)Nc1cccc(F)c1 ZINC000509389954 918056745 /nfs/dbraw/zinc/05/67/45/918056745.db2.gz VPPXBBSEYBDIND-CYBMUJFWSA-N 1 2 422.407 4.046 20 5 HIBDLO C[C@@H](NC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000509889244 918491277 /nfs/dbraw/zinc/49/12/77/918491277.db2.gz XPQFAIPEDDFIMQ-IXDOHACOSA-N 1 2 412.490 4.087 20 5 HIBDLO C[C@@H](NC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000509889244 918491288 /nfs/dbraw/zinc/49/12/88/918491288.db2.gz XPQFAIPEDDFIMQ-IXDOHACOSA-N 1 2 412.490 4.087 20 5 HIBDLO COc1ccc(NC(=O)C[N@@H+]2C[C@H](C)CC[C@@H]2c2ccccc2OC)c([N+](=O)[O-])c1 ZINC000510215947 918762688 /nfs/dbraw/zinc/76/26/88/918762688.db2.gz XBMXELYFIIHFOG-DNVCBOLYSA-N 1 2 413.474 4.024 20 5 HIBDLO COc1ccc(NC(=O)C[N@H+]2C[C@H](C)CC[C@@H]2c2ccccc2OC)c([N+](=O)[O-])c1 ZINC000510215947 918762699 /nfs/dbraw/zinc/76/26/99/918762699.db2.gz XBMXELYFIIHFOG-DNVCBOLYSA-N 1 2 413.474 4.024 20 5 HIBDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1csc(COc2ccc(F)cc2)n1 ZINC000511061775 919660712 /nfs/dbraw/zinc/66/07/12/919660712.db2.gz BIJRZHHHLOPBNF-UHFFFAOYSA-N 1 2 401.463 4.444 20 5 HIBDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1csc(COc2ccc(F)cc2)n1 ZINC000511061775 919660730 /nfs/dbraw/zinc/66/07/30/919660730.db2.gz BIJRZHHHLOPBNF-UHFFFAOYSA-N 1 2 401.463 4.444 20 5 HIBDLO COc1cc(C[N@H+](C)Cc2ccc(OCC(F)(F)F)cc2)c([N+](=O)[O-])cc1F ZINC000511068119 919666848 /nfs/dbraw/zinc/66/68/48/919666848.db2.gz YRPRKCORZXLDLZ-UHFFFAOYSA-N 1 2 402.344 4.316 20 5 HIBDLO COc1cc(C[N@@H+](C)Cc2ccc(OCC(F)(F)F)cc2)c([N+](=O)[O-])cc1F ZINC000511068119 919666856 /nfs/dbraw/zinc/66/68/56/919666856.db2.gz YRPRKCORZXLDLZ-UHFFFAOYSA-N 1 2 402.344 4.316 20 5 HIBDLO CC(C)c1ccc(C[NH+]2CCN(C(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)CC2)cc1 ZINC000512023830 920799925 /nfs/dbraw/zinc/79/99/25/920799925.db2.gz GWHVGPVFYMYCSN-UHFFFAOYSA-N 1 2 406.486 4.158 20 5 HIBDLO Cn1ccnc1[C@@H]([NH2+]CCOc1ccc(C(F)(F)F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000513713240 922032514 /nfs/dbraw/zinc/03/25/14/922032514.db2.gz MPRHWPIENNETOB-SFHVURJKSA-N 1 2 420.391 4.105 20 5 HIBDLO Cc1ccc(-n2cc[nH+]c2)c(-c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)c1 ZINC000518254624 927112047 /nfs/dbraw/zinc/11/20/47/927112047.db2.gz CIBCEKBQHVCSNZ-UHFFFAOYSA-N 1 2 400.398 4.211 20 5 HIBDLO C[C@@H](c1cccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c1)[NH+]1CCOCC1 ZINC000524553837 929682668 /nfs/dbraw/zinc/68/26/68/929682668.db2.gz UJMUNVZDKYGYIG-AWEZNQCLSA-N 1 2 411.483 4.455 20 5 HIBDLO C[C@@H](CNC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)Cn1cc[nH+]c1 ZINC000524814259 929840749 /nfs/dbraw/zinc/84/07/49/929840749.db2.gz JNQMUYNVIGNVJV-AWEZNQCLSA-N 1 2 414.849 4.303 20 5 HIBDLO Cc1c(NC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cccc1[N+](=O)[O-] ZINC000530408743 930704088 /nfs/dbraw/zinc/70/40/88/930704088.db2.gz KFFLIHZLFLCNRY-FUHWJXTLSA-N 1 2 406.845 4.263 20 5 HIBDLO Cc1c(NC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cccc1[N+](=O)[O-] ZINC000530408743 930704095 /nfs/dbraw/zinc/70/40/95/930704095.db2.gz KFFLIHZLFLCNRY-FUHWJXTLSA-N 1 2 406.845 4.263 20 5 HIBDLO CC[C@@H]([NH2+]Cc1csc(CNC(=O)c2ccccc2)n1)c1cccc([N+](=O)[O-])c1 ZINC000531977650 931273360 /nfs/dbraw/zinc/27/33/60/931273360.db2.gz JHCOKVCRUSFIDO-LJQANCHMSA-N 1 2 410.499 4.222 20 5 HIBDLO Cn1c(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)nc2cc(Cl)ccc21 ZINC000532570105 931530278 /nfs/dbraw/zinc/53/02/78/931530278.db2.gz VAIVVGJSNPAMOZ-UHFFFAOYSA-N 1 2 400.866 4.178 20 5 HIBDLO NC(=O)c1ccc(C[N@@H+]2CCCC[C@@H]2c2ccccc2C(F)(F)F)c([N+](=O)[O-])c1 ZINC000532693748 931589792 /nfs/dbraw/zinc/58/97/92/931589792.db2.gz XPSVAAMEPFHPDZ-QGZVFWFLSA-N 1 2 407.392 4.440 20 5 HIBDLO NC(=O)c1ccc(C[N@H+]2CCCC[C@@H]2c2ccccc2C(F)(F)F)c([N+](=O)[O-])c1 ZINC000532693748 931589805 /nfs/dbraw/zinc/58/98/05/931589805.db2.gz XPSVAAMEPFHPDZ-QGZVFWFLSA-N 1 2 407.392 4.440 20 5 HIBDLO C[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@H+](C)Cc1cccs1 ZINC000533240724 931816657 /nfs/dbraw/zinc/81/66/57/931816657.db2.gz PNSTYJNLRNVQRV-LBPRGKRZSA-N 1 2 402.501 4.239 20 5 HIBDLO C[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@@H+](C)Cc1cccs1 ZINC000533240724 931816658 /nfs/dbraw/zinc/81/66/58/931816658.db2.gz PNSTYJNLRNVQRV-LBPRGKRZSA-N 1 2 402.501 4.239 20 5 HIBDLO C[C@H]1C[C@@H](c2ccccc2)C[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000533436515 931868710 /nfs/dbraw/zinc/86/87/10/931868710.db2.gz LELHLUHUKRUHOD-DZGCQCFKSA-N 1 2 418.291 4.174 20 5 HIBDLO C[C@H]1C[C@@H](c2ccccc2)C[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000533436515 931868711 /nfs/dbraw/zinc/86/87/11/931868711.db2.gz LELHLUHUKRUHOD-DZGCQCFKSA-N 1 2 418.291 4.174 20 5 HIBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@H](c2ccccc2Cl)OC[C@H]1C ZINC000533439713 931870421 /nfs/dbraw/zinc/87/04/21/931870421.db2.gz VZDPYCPKUXHEIR-FOIQADDNSA-N 1 2 417.893 4.347 20 5 HIBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@H](c2ccccc2Cl)OC[C@H]1C ZINC000533439713 931870425 /nfs/dbraw/zinc/87/04/25/931870425.db2.gz VZDPYCPKUXHEIR-FOIQADDNSA-N 1 2 417.893 4.347 20 5 HIBDLO O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000533880837 932078634 /nfs/dbraw/zinc/07/86/34/932078634.db2.gz UYSYKNZGQZUCHX-UHFFFAOYSA-N 1 2 415.453 4.100 20 5 HIBDLO COc1cc(C[N@@H+]2CCC[C@@H]2c2ccccn2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000534337002 932386467 /nfs/dbraw/zinc/38/64/67/932386467.db2.gz XHLYXPNZKRBXRH-OAHLLOKOSA-N 1 2 411.380 4.277 20 5 HIBDLO COc1cc(C[N@H+]2CCC[C@@H]2c2ccccn2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000534337002 932386470 /nfs/dbraw/zinc/38/64/70/932386470.db2.gz XHLYXPNZKRBXRH-OAHLLOKOSA-N 1 2 411.380 4.277 20 5 HIBDLO CC(C)CCSc1ccc(C(=O)N2CC[C@H](c3[nH+]ccn3C)C2)cc1[N+](=O)[O-] ZINC000534436839 932449427 /nfs/dbraw/zinc/44/94/27/932449427.db2.gz PPMSLDBNAPGLRL-INIZCTEOSA-N 1 2 402.520 4.096 20 5 HIBDLO C[N@@H+]1CC[C@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534992428 932879228 /nfs/dbraw/zinc/87/92/28/932879228.db2.gz SMBYYLSYMULVJF-LPHOPBHVSA-N 1 2 416.840 4.044 20 5 HIBDLO C[N@H+]1CC[C@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534992428 932879233 /nfs/dbraw/zinc/87/92/33/932879233.db2.gz SMBYYLSYMULVJF-LPHOPBHVSA-N 1 2 416.840 4.044 20 5 HIBDLO CCC(=O)N1CCC[N@H+](Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CC1 ZINC000535083111 932899750 /nfs/dbraw/zinc/89/97/50/932899750.db2.gz WGYJTNGWGOWGKZ-UHFFFAOYSA-N 1 2 417.893 4.485 20 5 HIBDLO CCC(=O)N1CCC[N@@H+](Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CC1 ZINC000535083111 932899754 /nfs/dbraw/zinc/89/97/54/932899754.db2.gz WGYJTNGWGOWGKZ-UHFFFAOYSA-N 1 2 417.893 4.485 20 5 HIBDLO CN(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000535326383 933074561 /nfs/dbraw/zinc/07/45/61/933074561.db2.gz OKJQUZAOKHZVMH-UHFFFAOYSA-N 1 2 403.442 4.174 20 5 HIBDLO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3ccc(N(C)c4ccccc4)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000535810921 933407173 /nfs/dbraw/zinc/40/71/73/933407173.db2.gz FGNSIYBQYHXLDA-OIBXWCBGSA-N 1 2 411.502 4.131 20 5 HIBDLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3ccc(N(C)c4ccccc4)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000535810921 933407180 /nfs/dbraw/zinc/40/71/80/933407180.db2.gz FGNSIYBQYHXLDA-OIBXWCBGSA-N 1 2 411.502 4.131 20 5 HIBDLO C[N@@H+]1CC[C@H](NC(=O)CSc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535886469 933468255 /nfs/dbraw/zinc/46/82/55/933468255.db2.gz SWZRTNOPTZUSNX-PKOBYXMFSA-N 1 2 423.897 4.041 20 5 HIBDLO C[N@H+]1CC[C@H](NC(=O)CSc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535886469 933468256 /nfs/dbraw/zinc/46/82/56/933468256.db2.gz SWZRTNOPTZUSNX-PKOBYXMFSA-N 1 2 423.897 4.041 20 5 HIBDLO O=C(Nc1cc(-c2ccc(Cl)s2)[nH]n1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000536042686 933588228 /nfs/dbraw/zinc/58/82/28/933588228.db2.gz XMVCRPYLRXXLSQ-UHFFFAOYSA-N 1 2 414.834 4.138 20 5 HIBDLO CC(C)[N@@H+]1CC[C@@H](NC(=O)c2ccc(F)cc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000537494465 933795997 /nfs/dbraw/zinc/79/59/97/933795997.db2.gz ATUVWJNZXLGDDQ-IEBWSBKVSA-N 1 2 423.847 4.480 20 5 HIBDLO CC(C)[N@H+]1CC[C@@H](NC(=O)c2ccc(F)cc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000537494465 933796002 /nfs/dbraw/zinc/79/60/02/933796002.db2.gz ATUVWJNZXLGDDQ-IEBWSBKVSA-N 1 2 423.847 4.480 20 5 HIBDLO Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)c1 ZINC000538418593 938616129 /nfs/dbraw/zinc/61/61/29/938616129.db2.gz MYLIPYSGLJQEBJ-UHFFFAOYSA-N 1 2 400.822 4.150 20 5 HIBDLO CCOc1ccc([C@@H](C)[NH2+]Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1OCC ZINC000539266564 938830117 /nfs/dbraw/zinc/83/01/17/938830117.db2.gz COAHFKOBPDVEAE-CQSZACIVSA-N 1 2 412.446 4.293 20 5 HIBDLO C[C@@H]([NH2+]Cc1nnc(-c2ccccc2Br)o1)c1cccc([N+](=O)[O-])c1 ZINC000539281896 938833039 /nfs/dbraw/zinc/83/30/39/938833039.db2.gz XAQCTROPKVRDGD-LLVKDONJSA-N 1 2 403.236 4.258 20 5 HIBDLO C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000539568983 938881573 /nfs/dbraw/zinc/88/15/73/938881573.db2.gz UXBYJZANDJUAKE-IBGZPJMESA-N 1 2 421.419 4.237 20 5 HIBDLO C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000539568983 938881574 /nfs/dbraw/zinc/88/15/74/938881574.db2.gz UXBYJZANDJUAKE-IBGZPJMESA-N 1 2 421.419 4.237 20 5 HIBDLO C[C@@H]([NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1ccc(OCC2CC2)c(F)c1 ZINC000540425463 939244000 /nfs/dbraw/zinc/24/40/00/939244000.db2.gz ZKYBVLBWWKBNHS-CYBMUJFWSA-N 1 2 412.421 4.424 20 5 HIBDLO CC(C)[N@@H+]1CC[C@@H](NC(=O)c2ccccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000540799258 939376297 /nfs/dbraw/zinc/37/62/97/939376297.db2.gz CZRYQOKHRXPZEW-IEBWSBKVSA-N 1 2 405.857 4.341 20 5 HIBDLO CC(C)[N@H+]1CC[C@@H](NC(=O)c2ccccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000540799258 939376301 /nfs/dbraw/zinc/37/63/01/939376301.db2.gz CZRYQOKHRXPZEW-IEBWSBKVSA-N 1 2 405.857 4.341 20 5 HIBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](CCO)c1ccccc1Br ZINC000541023850 939433654 /nfs/dbraw/zinc/43/36/54/939433654.db2.gz RAXFRMZTKBOJBB-GOSISDBHSA-N 1 2 423.307 4.358 20 5 HIBDLO Cc1nc(NCc2cccc(C(=O)N(Cc3ccc([N+](=O)[O-])cc3)C(C)C)c2)cc[nH+]1 ZINC000541680996 939599517 /nfs/dbraw/zinc/59/95/17/939599517.db2.gz YDLMZSYPFANVON-UHFFFAOYSA-N 1 2 419.485 4.356 20 5 HIBDLO O=[N+]([O-])c1ccc(-c2nc(C[NH2+][C@H](CO)c3ccc(C(F)(F)F)cc3)co2)cc1 ZINC000542881663 939865101 /nfs/dbraw/zinc/86/51/01/939865101.db2.gz SUKGHSCCEMEVPO-QGZVFWFLSA-N 1 2 407.348 4.092 20 5 HIBDLO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000543141422 939967046 /nfs/dbraw/zinc/96/70/46/939967046.db2.gz FGJYRBXBYYHFHP-UHFFFAOYSA-N 1 2 420.922 4.042 20 5 HIBDLO CCc1ccc([C@H]([NH2+]Cc2ccccc2N2CCOCC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000543409207 940055867 /nfs/dbraw/zinc/05/58/67/940055867.db2.gz YDTPONAVXKZRLD-XMMPIXPASA-N 1 2 421.497 4.466 20 5 HIBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1ccccc1I ZINC000543426896 940060850 /nfs/dbraw/zinc/06/08/50/940060850.db2.gz ODOKRXUIAOBZAW-LLVKDONJSA-N 1 2 412.227 4.059 20 5 HIBDLO CC(C)OC(=O)C[C@H]([NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccccc1 ZINC000543981621 940283447 /nfs/dbraw/zinc/28/34/47/940283447.db2.gz GEJYDKJIYLNXDW-FQEVSTJZSA-N 1 2 409.442 4.422 20 5 HIBDLO CCOc1ccc(NC(=O)C[NH2+][C@H](C)c2nc(C(C)(C)C)cs2)c([N+](=O)[O-])c1 ZINC000544485949 940452648 /nfs/dbraw/zinc/45/26/48/940452648.db2.gz DDZLEYJTHCUJLJ-GFCCVEGCSA-N 1 2 406.508 4.037 20 5 HIBDLO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2nc(C(C)(C)C)cs2)c([N+](=O)[O-])c1 ZINC000544489917 940455105 /nfs/dbraw/zinc/45/51/05/940455105.db2.gz DGWCDDDDCMXBJG-NWDGAFQWSA-N 1 2 406.508 4.035 20 5 HIBDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3F)n2)C1 ZINC000545163312 940552913 /nfs/dbraw/zinc/55/29/13/940552913.db2.gz IRHZJXWHDOOCAT-ZDUSSCGKSA-N 1 2 420.510 4.339 20 5 HIBDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3F)n2)C1 ZINC000545163312 940552919 /nfs/dbraw/zinc/55/29/19/940552919.db2.gz IRHZJXWHDOOCAT-ZDUSSCGKSA-N 1 2 420.510 4.339 20 5 HIBDLO O=C(Nc1ccc(Cl)cc1OC(F)F)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000546526798 940844125 /nfs/dbraw/zinc/84/41/25/940844125.db2.gz OIGWHSCFTYETCQ-UHFFFAOYSA-N 1 2 408.748 4.288 20 5 HIBDLO COc1ccc(C[C@H]([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])c2ccc(OC)cc2)cc1 ZINC000549510735 941197567 /nfs/dbraw/zinc/19/75/67/941197567.db2.gz QGFNGAHYZPIBRR-QFIPXVFZSA-N 1 2 408.454 4.391 20 5 HIBDLO C[C@@H](c1ccc(OC(F)(F)F)cc1)[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000550112628 941285962 /nfs/dbraw/zinc/28/59/62/941285962.db2.gz HBPLPTOPWUDQJX-AWEZNQCLSA-N 1 2 423.391 4.012 20 5 HIBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@](F)(c2cc(F)cc(F)c2)C1 ZINC000551401554 941469980 /nfs/dbraw/zinc/46/99/80/941469980.db2.gz HBDQVHVOPCVEFA-FQEVSTJZSA-N 1 2 407.392 4.081 20 5 HIBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@](F)(c2cc(F)cc(F)c2)C1 ZINC000551401554 941469982 /nfs/dbraw/zinc/46/99/82/941469982.db2.gz HBDQVHVOPCVEFA-FQEVSTJZSA-N 1 2 407.392 4.081 20 5 HIBDLO CO[C@H](C[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000552248654 941614098 /nfs/dbraw/zinc/61/40/98/941614098.db2.gz OBRDFEAWCWUUFA-MOPGFXCFSA-N 1 2 400.866 4.048 20 5 HIBDLO Cn1ccnc1[C@@H]([NH2+]CCOc1cccc(C(C)(C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000552274786 941620529 /nfs/dbraw/zinc/62/05/29/941620529.db2.gz AMMBONIVNYOMSK-NRFANRHFSA-N 1 2 408.502 4.384 20 5 HIBDLO C[C@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000559450863 943959307 /nfs/dbraw/zinc/95/93/07/943959307.db2.gz WMCJTNSIQOCUFF-CQSZACIVSA-N 1 2 407.392 4.133 20 5 HIBDLO O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000559626444 944020160 /nfs/dbraw/zinc/02/01/60/944020160.db2.gz NNUCPGXIYNYAQT-UHFFFAOYSA-N 1 2 422.407 4.319 20 5 HIBDLO O=[N+]([O-])c1cc(I)cc(C[NH2+]Cc2c(F)cccc2Cl)c1 ZINC000564408186 945560747 /nfs/dbraw/zinc/56/07/47/945560747.db2.gz ZSRMHBHMBFOBOC-UHFFFAOYSA-N 1 2 420.609 4.282 20 5 HIBDLO C[C@@]1(c2ccccc2)CCCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000565966823 945945464 /nfs/dbraw/zinc/94/54/64/945945464.db2.gz DIFFHNZJHKYUNJ-HSZRJFAPSA-N 1 2 404.470 4.365 20 5 HIBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC(c2cccc(F)c2F)CC1 ZINC000570896818 947389752 /nfs/dbraw/zinc/38/97/52/947389752.db2.gz CSWDADGNKMUOCB-UHFFFAOYSA-N 1 2 412.396 4.079 20 5 HIBDLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000436060239 861343397 /nfs/dbraw/zinc/34/33/97/861343397.db2.gz DQDWBSQNGMOOMR-UHFFFAOYSA-N 1 2 416.387 4.398 20 5 HIBDLO O=C(c1ccc([N+](=O)[O-])s1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000021004269 846400011 /nfs/dbraw/zinc/40/00/11/846400011.db2.gz SPKJEWGXWLTUKA-UHFFFAOYSA-N 1 2 407.495 4.204 20 5 HIBDLO CC(C)(C)c1ccc(C(=O)NCCc2[nH+]ccn2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000027483851 847310600 /nfs/dbraw/zinc/31/06/00/847310600.db2.gz UNSLBSJMXLYHBN-UHFFFAOYSA-N 1 2 406.486 4.110 20 5 HIBDLO CSc1ccc([N+](=O)[O-])c(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)c1 ZINC000028677995 847446134 /nfs/dbraw/zinc/44/61/34/847446134.db2.gz DTKHXMSMVYUMKM-GFCCVEGCSA-N 1 2 406.533 4.257 20 5 HIBDLO CSc1ccc([N+](=O)[O-])c(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)c1 ZINC000028677995 847446142 /nfs/dbraw/zinc/44/61/42/847446142.db2.gz DTKHXMSMVYUMKM-GFCCVEGCSA-N 1 2 406.533 4.257 20 5 HIBDLO O=C(Nc1cccc(OCc2ccccn2)c1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032244435 847994730 /nfs/dbraw/zinc/99/47/30/847994730.db2.gz WQWBAVUQODUQMH-UHFFFAOYSA-N 1 2 415.409 4.007 20 5 HIBDLO C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 ZINC000032483573 848037793 /nfs/dbraw/zinc/03/77/93/848037793.db2.gz FCYYBLDZALGJLH-GFCCVEGCSA-N 1 2 404.348 4.290 20 5 HIBDLO O=C(Nc1ccc2c(c1)nc1n2CCCCC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000045671532 848709732 /nfs/dbraw/zinc/70/97/32/848709732.db2.gz GWKDHLDFLRQPNW-UHFFFAOYSA-N 1 2 416.441 4.109 20 5 HIBDLO COc1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c(C(F)(F)F)c1 ZINC000046151639 848791530 /nfs/dbraw/zinc/79/15/30/848791530.db2.gz MPHWVQLAFTWUJU-UHFFFAOYSA-N 1 2 406.320 4.060 20 5 HIBDLO C[C@H](NC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1)c1cccc([N+](=O)[O-])c1 ZINC000047377852 849035164 /nfs/dbraw/zinc/03/51/64/849035164.db2.gz ZWBHAKMZDVZYFQ-KGLIPLIRSA-N 1 2 403.508 4.166 20 5 HIBDLO C[C@H](NC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1)c1cccc([N+](=O)[O-])c1 ZINC000047377852 849035166 /nfs/dbraw/zinc/03/51/66/849035166.db2.gz ZWBHAKMZDVZYFQ-KGLIPLIRSA-N 1 2 403.508 4.166 20 5 HIBDLO Cc1ccc(C(=O)C2CC[NH+]([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)CC2)cc1 ZINC000054299863 849842547 /nfs/dbraw/zinc/84/25/47/849842547.db2.gz KMGIGVXFELFNJC-QGZVFWFLSA-N 1 2 409.486 4.134 20 5 HIBDLO O=C(NCc1ccccc1C[NH+]1CCOCC1)c1cc2ccccc2c2cccnc12 ZINC000058490431 850837609 /nfs/dbraw/zinc/83/76/09/850837609.db2.gz XVCXGSKMJDNTHR-UHFFFAOYSA-N 1 2 411.505 4.150 20 5 HIBDLO Cc1c(NC(=O)N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)cccc1[N+](=O)[O-] ZINC000058856061 850945017 /nfs/dbraw/zinc/94/50/17/850945017.db2.gz UNAQRADVHPOAHM-UHFFFAOYSA-N 1 2 422.407 4.272 20 5 HIBDLO O=C(NCc1ccccc1OC1CCCC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000059317710 850995783 /nfs/dbraw/zinc/99/57/83/850995783.db2.gz BYAUKJKQAJHVOB-UHFFFAOYSA-N 1 2 406.442 4.032 20 5 HIBDLO O=C(Nc1cccc(C(=O)c2ccccc2)c1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000060351756 851073202 /nfs/dbraw/zinc/07/32/02/851073202.db2.gz JWUKLIVFYGMQHN-UHFFFAOYSA-N 1 2 412.405 4.264 20 5 HIBDLO Cc1ccc(C)c(OC2CC[NH+](Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)CC2)c1 ZINC000064632412 851942865 /nfs/dbraw/zinc/94/28/65/851942865.db2.gz YMSGOSBRAYFERF-UHFFFAOYSA-N 1 2 408.458 4.305 20 5 HIBDLO Cc1ccc(C)c(OC2CC[NH+](Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)c1 ZINC000064632076 851943668 /nfs/dbraw/zinc/94/36/68/851943668.db2.gz RKYQJFXNFYSFBX-UHFFFAOYSA-N 1 2 408.458 4.305 20 5 HIBDLO O=C(NCCc1c(Cl)cccc1Cl)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000065139526 852075108 /nfs/dbraw/zinc/07/51/08/852075108.db2.gz AKXNUZZWIGTRDF-UHFFFAOYSA-N 1 2 405.241 4.060 20 5 HIBDLO COc1cc(C[NH+]2CCC(C(=O)c3ccccc3)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000105515074 852710816 /nfs/dbraw/zinc/71/08/16/852710816.db2.gz WBSUHTMRUPYTNU-UHFFFAOYSA-N 1 2 420.412 4.300 20 5 HIBDLO COc1ccc(-c2noc(C[N@H+](Cc3ccc([N+](=O)[O-])cc3)C(C)C)n2)c(OC)c1 ZINC000138526301 853389490 /nfs/dbraw/zinc/38/94/90/853389490.db2.gz GSWLIOBYYBZRGN-UHFFFAOYSA-N 1 2 412.446 4.073 20 5 HIBDLO COc1ccc(-c2noc(C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C(C)C)n2)c(OC)c1 ZINC000138526301 853389499 /nfs/dbraw/zinc/38/94/99/853389499.db2.gz GSWLIOBYYBZRGN-UHFFFAOYSA-N 1 2 412.446 4.073 20 5 HIBDLO CC(C)([NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1cn(-c2ccccc2)nn1 ZINC000236702846 853913488 /nfs/dbraw/zinc/91/34/88/853913488.db2.gz NGRZVYCDVWLMFX-UHFFFAOYSA-N 1 2 403.442 4.460 20 5 HIBDLO C[C@H]1C[C@@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C(=O)N1c1ccccc1 ZINC000237698318 854077591 /nfs/dbraw/zinc/07/75/91/854077591.db2.gz QVOFURHRLUWLAK-IFXJQAMLSA-N 1 2 408.483 4.002 20 5 HIBDLO O=[N+]([O-])c1ccccc1NCc1cc[nH+]c(N2CCN(c3ccc(F)cc3)CC2)c1 ZINC000301089267 854293381 /nfs/dbraw/zinc/29/33/81/854293381.db2.gz JWQJQRBRCMOYDM-UHFFFAOYSA-N 1 2 407.449 4.068 20 5 HIBDLO C[C@H](c1nnc(Sc2ncc([N+](=O)[O-])cc2Cl)n1-c1ccc(F)cc1)[NH+](C)C ZINC000301279101 854346605 /nfs/dbraw/zinc/34/66/05/854346605.db2.gz NDZUSMKUBKHZNT-SNVBAGLBSA-N 1 2 422.873 4.137 20 5 HIBDLO C[C@H](c1nnc(Sc2c(F)cc([N+](=O)[O-])cc2F)n1-c1ccc(F)cc1)[NH+](C)C ZINC000301805867 854468517 /nfs/dbraw/zinc/46/85/17/854468517.db2.gz VZPIIXPWNXCAPM-SNVBAGLBSA-N 1 2 423.420 4.367 20 5 HIBDLO Cc1c(C(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)cccc1[N+](=O)[O-] ZINC000303565980 855044248 /nfs/dbraw/zinc/04/42/48/855044248.db2.gz XYRKLSQCQFFYIQ-INIZCTEOSA-N 1 2 405.857 4.090 20 5 HIBDLO Cc1c(C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)cccc1[N+](=O)[O-] ZINC000303565980 855044256 /nfs/dbraw/zinc/04/42/56/855044256.db2.gz XYRKLSQCQFFYIQ-INIZCTEOSA-N 1 2 405.857 4.090 20 5 HIBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCC(COc2ccccc2)CC1 ZINC000303573983 855049536 /nfs/dbraw/zinc/04/95/36/855049536.db2.gz YXPQJLXCGYPOLG-HNNXBMFYSA-N 1 2 417.893 4.366 20 5 HIBDLO Cc1cccc(NC2CC[NH+](CC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])CC2)c1 ZINC000303876069 855264309 /nfs/dbraw/zinc/26/43/09/855264309.db2.gz NYRIGJUIJYJVQT-UHFFFAOYSA-N 1 2 402.882 4.072 20 5 HIBDLO CC[C@H](C)[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1nc2ccccc2[nH]1 ZINC000410076309 855809996 /nfs/dbraw/zinc/80/99/96/855809996.db2.gz XLWHRCAIUYDFIA-XOBRGWDASA-N 1 2 418.457 4.174 20 5 HIBDLO CC(C)(C)c1ccc(C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1[N+](=O)[O-] ZINC000410279620 855898629 /nfs/dbraw/zinc/89/86/29/855898629.db2.gz QMSMXZIKMINTNM-QGZVFWFLSA-N 1 2 410.518 4.445 20 5 HIBDLO O=C(Nc1ccc(OCC(F)(F)F)c(F)c1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000410388415 855967745 /nfs/dbraw/zinc/96/77/45/855967745.db2.gz QXKDBJUIDMHMBH-UHFFFAOYSA-N 1 2 424.310 4.113 20 5 HIBDLO COc1cc(C[NH2+]Cc2ccc(Cl)cc2F)c([N+](=O)[O-])cc1OCC(F)F ZINC000428412766 857196655 /nfs/dbraw/zinc/19/66/55/857196655.db2.gz XIQUYFRXIDYTQD-UHFFFAOYSA-N 1 2 404.772 4.330 20 5 HIBDLO Cc1ccc([C@@H](C)NC(=O)Nc2ccccc2OCCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000428892233 857395703 /nfs/dbraw/zinc/39/57/03/857395703.db2.gz LEAQKVAGKMHYGW-MRXNPFEDSA-N 1 2 409.446 4.061 20 5 HIBDLO Cc1ccc([C@@H](C)NC(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)cc1[N+](=O)[O-] ZINC000429077545 857497994 /nfs/dbraw/zinc/49/79/94/857497994.db2.gz VGMYFHNRLPFGLQ-SJORKVTESA-N 1 2 412.490 4.179 20 5 HIBDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000429517059 857711808 /nfs/dbraw/zinc/71/18/08/857711808.db2.gz JHTKOAHLPXLGLA-UHFFFAOYSA-N 1 2 419.485 4.012 20 5 HIBDLO O=C(Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000429780818 857883012 /nfs/dbraw/zinc/88/30/12/857883012.db2.gz CUUOXLGESPDXGD-UHFFFAOYSA-N 1 2 421.638 4.449 20 5 HIBDLO O=C(c1ccc(F)cc1)C1CC[NH+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000434686792 860460456 /nfs/dbraw/zinc/46/04/56/860460456.db2.gz VEFNMSXZURYWMY-UHFFFAOYSA-N 1 2 409.417 4.484 20 5 HIBDLO CC(C)[N@H+](CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)Cc1ccco1 ZINC000434831637 860511434 /nfs/dbraw/zinc/51/14/34/860511434.db2.gz XYVOYJREVNBNCU-UHFFFAOYSA-N 1 2 400.460 4.160 20 5 HIBDLO CC(C)[N@@H+](CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)Cc1ccco1 ZINC000434831637 860511443 /nfs/dbraw/zinc/51/14/43/860511443.db2.gz XYVOYJREVNBNCU-UHFFFAOYSA-N 1 2 400.460 4.160 20 5 HIBDLO O=[N+]([O-])c1cc(Cl)cnc1NC1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1 ZINC000434946915 860568751 /nfs/dbraw/zinc/56/87/51/860568751.db2.gz MSYBLYKEPRLQBN-UHFFFAOYSA-N 1 2 413.865 4.375 20 5 HIBDLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000435026562 860605005 /nfs/dbraw/zinc/60/50/05/860605005.db2.gz MQUGVZOODOBQOL-CQSZACIVSA-N 1 2 400.866 4.268 20 5 HIBDLO C[N@H+](CCOCC1CC1)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000438527321 863951891 /nfs/dbraw/zinc/95/18/91/863951891.db2.gz IXZRFHRSOXFBQZ-HXUWFJFHSA-N 1 2 417.893 4.286 20 5 HIBDLO C[N@@H+](CCOCC1CC1)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000438527321 863951906 /nfs/dbraw/zinc/95/19/06/863951906.db2.gz IXZRFHRSOXFBQZ-HXUWFJFHSA-N 1 2 417.893 4.286 20 5 HIBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H](c1cccc(Cl)c1)c1ccccn1 ZINC000441019758 866086864 /nfs/dbraw/zinc/08/68/64/866086864.db2.gz YGLUDGYXMJONDZ-NRFANRHFSA-N 1 2 410.861 4.269 20 5 HIBDLO Cc1c(NC(=O)CC[N@H+]2C[C@H](c3cccc(Cl)c3)OC[C@H]2C)cccc1[N+](=O)[O-] ZINC000444699792 868963987 /nfs/dbraw/zinc/96/39/87/868963987.db2.gz FCBFWJWYIFMSRA-JLTOFOAXSA-N 1 2 417.893 4.347 20 5 HIBDLO Cc1c(NC(=O)CC[N@@H+]2C[C@H](c3cccc(Cl)c3)OC[C@H]2C)cccc1[N+](=O)[O-] ZINC000444699792 868963989 /nfs/dbraw/zinc/96/39/89/868963989.db2.gz FCBFWJWYIFMSRA-JLTOFOAXSA-N 1 2 417.893 4.347 20 5 HIBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@H](c2cccc(Cl)c2)OC[C@@H]1C ZINC000444708359 868968477 /nfs/dbraw/zinc/96/84/77/868968477.db2.gz QHMMBZCWJJAYMM-MGPUTAFESA-N 1 2 417.893 4.347 20 5 HIBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H](c2cccc(Cl)c2)OC[C@@H]1C ZINC000444708359 868968486 /nfs/dbraw/zinc/96/84/86/868968486.db2.gz QHMMBZCWJJAYMM-MGPUTAFESA-N 1 2 417.893 4.347 20 5 HIBDLO COc1cc(C[N@@H+]2CCN(c3cccc4cnccc43)C[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000447386815 871295559 /nfs/dbraw/zinc/29/55/59/871295559.db2.gz RPUNGGMHGDOLBI-HNNXBMFYSA-N 1 2 410.449 4.001 20 5 HIBDLO COc1cc(C[N@H+]2CCN(c3cccc4cnccc43)C[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000447386815 871295586 /nfs/dbraw/zinc/29/55/86/871295586.db2.gz RPUNGGMHGDOLBI-HNNXBMFYSA-N 1 2 410.449 4.001 20 5 HIBDLO O=C(Nc1ccc(OC2CCCC2)c(F)c1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000460413866 873069425 /nfs/dbraw/zinc/06/94/25/873069425.db2.gz VGACAUHCYZTWDT-UHFFFAOYSA-N 1 2 410.405 4.493 20 5 HIBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000462519697 875635706 /nfs/dbraw/zinc/63/57/06/875635706.db2.gz WZRDGVOIROHJCZ-LJQANCHMSA-N 1 2 422.485 4.213 20 5 HIBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000462760557 875824423 /nfs/dbraw/zinc/82/44/23/875824423.db2.gz JUCDGWDQVHHBFH-GQWLDOHISA-N 1 2 417.456 4.003 20 5 HIBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000462760557 875824427 /nfs/dbraw/zinc/82/44/27/875824427.db2.gz JUCDGWDQVHHBFH-GQWLDOHISA-N 1 2 417.456 4.003 20 5 HIBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000462760559 875824765 /nfs/dbraw/zinc/82/47/65/875824765.db2.gz JUCDGWDQVHHBFH-IPHXSNPTSA-N 1 2 417.456 4.003 20 5 HIBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000462760559 875824774 /nfs/dbraw/zinc/82/47/74/875824774.db2.gz JUCDGWDQVHHBFH-IPHXSNPTSA-N 1 2 417.456 4.003 20 5 HIBDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000463033744 876055414 /nfs/dbraw/zinc/05/54/14/876055414.db2.gz LRONGQUCHTUTER-LBPRGKRZSA-N 1 2 413.421 4.194 20 5 HIBDLO C[C@H](c1nnc(-c2cccs2)o1)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464776811 878018970 /nfs/dbraw/zinc/01/89/70/878018970.db2.gz OVBLIPZJUHUVOU-CYBMUJFWSA-N 1 2 400.460 4.311 20 5 HIBDLO Cc1c(Cl)cccc1NC(=O)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464783757 878029377 /nfs/dbraw/zinc/02/93/77/878029377.db2.gz PMLWHDVWJOMBJL-UHFFFAOYSA-N 1 2 403.866 4.039 20 5 HIBDLO CCc1cccc(CC)c1NC(=O)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464782943 878030638 /nfs/dbraw/zinc/03/06/38/878030638.db2.gz CUEXNWIMGGJYKH-UHFFFAOYSA-N 1 2 411.502 4.202 20 5 HIBDLO COc1cc(Br)ccc1[C@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000469750982 883910875 /nfs/dbraw/zinc/91/08/75/883910875.db2.gz FXMDEBVQARTSAY-JTQLQIEISA-N 1 2 406.236 4.358 20 5 HIBDLO CC[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC[C@H]1c1ccccc1 ZINC000470204883 884520853 /nfs/dbraw/zinc/52/08/53/884520853.db2.gz BOZXSHMKYZLRDG-YLJYHZDGSA-N 1 2 404.470 4.436 20 5 HIBDLO Cc1[nH]c2ccccc2c1C1=CC[N@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000471159259 885711353 /nfs/dbraw/zinc/71/13/53/885711353.db2.gz HAYLLNFHQWUWOK-UHFFFAOYSA-N 1 2 404.470 4.421 20 5 HIBDLO Cc1[nH]c2ccccc2c1C1=CC[N@@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000471159259 885711360 /nfs/dbraw/zinc/71/13/60/885711360.db2.gz HAYLLNFHQWUWOK-UHFFFAOYSA-N 1 2 404.470 4.421 20 5 HIBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC=C(c2c(C)[nH]c3ccccc32)CC1 ZINC000471162351 885717804 /nfs/dbraw/zinc/71/78/04/885717804.db2.gz WCCOQYXPRWHAAB-UHFFFAOYSA-N 1 2 420.469 4.121 20 5 HIBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC=C(c2c(C)[nH]c3ccccc32)CC1 ZINC000471162351 885717811 /nfs/dbraw/zinc/71/78/11/885717811.db2.gz WCCOQYXPRWHAAB-UHFFFAOYSA-N 1 2 420.469 4.121 20 5 HIBDLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000475202550 890071144 /nfs/dbraw/zinc/07/11/44/890071144.db2.gz AFSGQJLGPKEZBL-UHFFFAOYSA-N 1 2 419.363 4.180 20 5 HIBDLO CCS(=O)(=O)c1ccc(C[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)s1 ZINC000479448089 894765045 /nfs/dbraw/zinc/76/50/45/894765045.db2.gz RRSYCWBDUDGOHG-HXUWFJFHSA-N 1 2 416.524 4.329 20 5 HIBDLO C[N@@H+]1CC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1c1ccc(F)c(F)c1 ZINC000481200894 896554758 /nfs/dbraw/zinc/55/47/58/896554758.db2.gz PHBJCABTRVRIRP-IRXDYDNUSA-N 1 2 410.808 4.093 20 5 HIBDLO C[N@H+]1CC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1c1ccc(F)c(F)c1 ZINC000481200894 896554775 /nfs/dbraw/zinc/55/47/75/896554775.db2.gz PHBJCABTRVRIRP-IRXDYDNUSA-N 1 2 410.808 4.093 20 5 HIBDLO COc1cc(C[NH2+][C@H](c2nc3ccccc3n2C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000481423971 896826302 /nfs/dbraw/zinc/82/63/02/896826302.db2.gz LJLKNYNHQOOITD-QFIPXVFZSA-N 1 2 402.454 4.369 20 5 HIBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC[C@H](c4nnc(C5CCCCC5)[nH]4)C3)nc2c1 ZINC000482697836 898297596 /nfs/dbraw/zinc/29/75/96/898297596.db2.gz LGVNBLQWLLIOJA-HNNXBMFYSA-N 1 2 409.494 4.017 20 5 HIBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCC[C@H](c4nnc(C5CCCCC5)[nH]4)C3)nc2c1 ZINC000482697836 898297607 /nfs/dbraw/zinc/29/76/07/898297607.db2.gz LGVNBLQWLLIOJA-HNNXBMFYSA-N 1 2 409.494 4.017 20 5 HIBDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C1 ZINC000483254728 898895846 /nfs/dbraw/zinc/89/58/46/898895846.db2.gz HUIYTQAHTYMXIS-KRWDZBQOSA-N 1 2 420.469 4.216 20 5 HIBDLO COc1ccc(F)cc1[C@H](C)[NH2+]Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000505607751 914312878 /nfs/dbraw/zinc/31/28/78/914312878.db2.gz MEPFFCXBFZJXOE-NSHDSACASA-N 1 2 414.380 4.246 20 5 HIBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCOc2cc(Cl)c(Cl)cc21 ZINC000484657015 900101577 /nfs/dbraw/zinc/10/15/77/900101577.db2.gz SXISAOVKEQQMGN-UHFFFAOYSA-N 1 2 419.224 4.127 20 5 HIBDLO C[C@H]([NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(OC(F)(F)F)cc1 ZINC000484889871 900273376 /nfs/dbraw/zinc/27/33/76/900273376.db2.gz YIGTXFXMXYEYPC-NSHDSACASA-N 1 2 408.336 4.394 20 5 HIBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)Cc1ccccc1N1CCCC1 ZINC000485824277 901071886 /nfs/dbraw/zinc/07/18/86/901071886.db2.gz WQNPZHPUEWAUHX-MRXNPFEDSA-N 1 2 407.474 4.438 20 5 HIBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+](C)Cc1ccccc1N1CCCC1 ZINC000485824277 901071895 /nfs/dbraw/zinc/07/18/95/901071895.db2.gz WQNPZHPUEWAUHX-MRXNPFEDSA-N 1 2 407.474 4.438 20 5 HIBDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000485883886 901119502 /nfs/dbraw/zinc/11/95/02/901119502.db2.gz QDEMSVYPORPTMV-AWEZNQCLSA-N 1 2 402.520 4.200 20 5 HIBDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000485883886 901119511 /nfs/dbraw/zinc/11/95/11/901119511.db2.gz QDEMSVYPORPTMV-AWEZNQCLSA-N 1 2 402.520 4.200 20 5 HIBDLO O=[N+]([O-])c1cccc(-c2noc(C[NH+]3CCC(c4c(F)cccc4F)CC3)n2)c1 ZINC000485892359 901124220 /nfs/dbraw/zinc/12/42/20/901124220.db2.gz WUXSHXIVAFRWLF-UHFFFAOYSA-N 1 2 400.385 4.303 20 5 HIBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000487530577 902237022 /nfs/dbraw/zinc/23/70/22/902237022.db2.gz QOWFYBHAQGCVBR-OAHLLOKOSA-N 1 2 415.515 4.352 20 5 HIBDLO O=C(C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1cccnc1)Nc1ccc(Cl)cc1 ZINC000488803745 903010178 /nfs/dbraw/zinc/01/01/78/903010178.db2.gz ZQPCXEPQUXXZHH-UHFFFAOYSA-N 1 2 424.888 4.327 20 5 HIBDLO O=C(C[N@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1cccnc1)Nc1ccc(Cl)cc1 ZINC000488803745 903010195 /nfs/dbraw/zinc/01/01/95/903010195.db2.gz ZQPCXEPQUXXZHH-UHFFFAOYSA-N 1 2 424.888 4.327 20 5 HIBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000490032320 903733647 /nfs/dbraw/zinc/73/36/47/903733647.db2.gz MZPFBRQJKYKQGV-HOCLYGCPSA-N 1 2 402.882 4.152 20 5 HIBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000490032320 903733653 /nfs/dbraw/zinc/73/36/53/903733653.db2.gz MZPFBRQJKYKQGV-HOCLYGCPSA-N 1 2 402.882 4.152 20 5 HIBDLO CCO[C@H](C)c1nc(CN2CC[NH+]([C@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)cs1 ZINC000490031784 903733842 /nfs/dbraw/zinc/73/38/42/903733842.db2.gz PNDPAKNBUIKCKL-IAGOWNOFSA-N 1 2 418.563 4.336 20 5 HIBDLO CCCN(C(=O)c1cccs1)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000490549397 904094020 /nfs/dbraw/zinc/09/40/20/904094020.db2.gz UKVSLQYBGYQVKA-UHFFFAOYSA-N 1 2 405.495 4.312 20 5 HIBDLO COc1cc(OC)c(OC)cc1C[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000491399149 904579113 /nfs/dbraw/zinc/57/91/13/904579113.db2.gz VFTGYCAWWLUSFV-HSZRJFAPSA-N 1 2 408.454 4.500 20 5 HIBDLO Cc1ccc([C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC000493222929 905056477 /nfs/dbraw/zinc/05/64/77/905056477.db2.gz BJZJZQMIHKNSHI-HSZRJFAPSA-N 1 2 424.522 4.494 20 5 HIBDLO Cc1sc(C(=O)N[C@@H]2CC[N@@H+](C(C)C)[C@H]2c2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000494149227 905486579 /nfs/dbraw/zinc/48/65/79/905486579.db2.gz MZMRLAMYPKKCFP-QAPCUYQASA-N 1 2 409.458 4.197 20 5 HIBDLO Cc1sc(C(=O)N[C@@H]2CC[N@H+](C(C)C)[C@H]2c2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000494149227 905486583 /nfs/dbraw/zinc/48/65/83/905486583.db2.gz MZMRLAMYPKKCFP-QAPCUYQASA-N 1 2 409.458 4.197 20 5 HIBDLO CCc1nc(C)c(C[NH2+]Cc2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])o1 ZINC000494367744 905665843 /nfs/dbraw/zinc/66/58/43/905665843.db2.gz KQLUPDYSVIUCFG-UHFFFAOYSA-N 1 2 411.458 4.331 20 5 HIBDLO Cc1c([C@@H](C)[NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)nnn1-c1ccc(F)cc1 ZINC000494448962 905733864 /nfs/dbraw/zinc/73/38/64/905733864.db2.gz HJUMYIAUPCYNEK-LLVKDONJSA-N 1 2 423.370 4.493 20 5 HIBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000497484937 906967517 /nfs/dbraw/zinc/96/75/17/906967517.db2.gz FTXFQPJAFKIRNG-IEBWSBKVSA-N 1 2 421.469 4.160 20 5 HIBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000497484937 906967532 /nfs/dbraw/zinc/96/75/32/906967532.db2.gz FTXFQPJAFKIRNG-IEBWSBKVSA-N 1 2 421.469 4.160 20 5 HIBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC000497498194 906985087 /nfs/dbraw/zinc/98/50/87/906985087.db2.gz ZEUBBIZMLVUTAC-AWEZNQCLSA-N 1 2 415.877 4.170 20 5 HIBDLO O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1cccc(-n2cc[nH+]c2)c1 ZINC000500745250 910054233 /nfs/dbraw/zinc/05/42/33/910054233.db2.gz POWJNZXWZCUQLM-UHFFFAOYSA-N 1 2 419.363 4.240 20 5 HIBDLO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc(Br)cc1F ZINC000513095304 921544320 /nfs/dbraw/zinc/54/43/20/921544320.db2.gz MZXGSGJGVZHJIJ-SNVBAGLBSA-N 1 2 411.227 4.214 20 5 HIBDLO CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000501479038 910593275 /nfs/dbraw/zinc/59/32/75/910593275.db2.gz OJBCKORCHCSVQR-GASCZTMLSA-N 1 2 415.515 4.178 20 5 HIBDLO CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000501479038 910593291 /nfs/dbraw/zinc/59/32/91/910593291.db2.gz OJBCKORCHCSVQR-GASCZTMLSA-N 1 2 415.515 4.178 20 5 HIBDLO Cc1ccc(OC2CCN(C(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)CC2)cc1C ZINC000501624155 910724255 /nfs/dbraw/zinc/72/42/55/910724255.db2.gz BFEABNPLVIEYMF-UHFFFAOYSA-N 1 2 420.469 4.081 20 5 HIBDLO COc1cc(C[N@H+](C)Cc2ccc(F)cc2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000506750869 915444375 /nfs/dbraw/zinc/44/43/75/915444375.db2.gz HJNKTCQDEHTDNF-UHFFFAOYSA-N 1 2 402.344 4.316 20 5 HIBDLO COc1cc(C[N@@H+](C)Cc2ccc(F)cc2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000506750869 915444395 /nfs/dbraw/zinc/44/43/95/915444395.db2.gz HJNKTCQDEHTDNF-UHFFFAOYSA-N 1 2 402.344 4.316 20 5 HIBDLO O=C(NC1CC1)[C@@H]1CCC[N@H+]1Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000508020447 916857186 /nfs/dbraw/zinc/85/71/86/916857186.db2.gz GULZGMNFMDIBIJ-KRWDZBQOSA-N 1 2 415.877 4.284 20 5 HIBDLO O=C(NC1CC1)[C@@H]1CCC[N@@H+]1Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000508020447 916857193 /nfs/dbraw/zinc/85/71/93/916857193.db2.gz GULZGMNFMDIBIJ-KRWDZBQOSA-N 1 2 415.877 4.284 20 5 HIBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCC[C@H](c3nnc(C4CCCCC4)[nH]3)C2)c(F)c1 ZINC000509007431 917761606 /nfs/dbraw/zinc/76/16/06/917761606.db2.gz HGWWBCXCCTXBDC-AWEZNQCLSA-N 1 2 405.449 4.418 20 5 HIBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CCC[C@H](c3nnc(C4CCCCC4)[nH]3)C2)c(F)c1 ZINC000509007431 917761620 /nfs/dbraw/zinc/76/16/20/917761620.db2.gz HGWWBCXCCTXBDC-AWEZNQCLSA-N 1 2 405.449 4.418 20 5 HIBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC=C(c2ccccc2Cl)CC1 ZINC000509735634 918357004 /nfs/dbraw/zinc/35/70/04/918357004.db2.gz NYIAIXOSPWPMRG-UHFFFAOYSA-N 1 2 408.845 4.363 20 5 HIBDLO Cc1c(Br)cc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)cc1[N+](=O)[O-] ZINC000509854833 918458462 /nfs/dbraw/zinc/45/84/62/918458462.db2.gz OYUVKZBBLGDKHV-UHFFFAOYSA-N 1 2 401.220 4.104 20 5 HIBDLO O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000510911909 919419714 /nfs/dbraw/zinc/41/97/14/919419714.db2.gz CKCVSFIPIZAPFE-QGZVFWFLSA-N 1 2 419.441 4.183 20 5 HIBDLO C[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)Cc1ccc(OCC(F)(F)F)cc1 ZINC000511091045 919694443 /nfs/dbraw/zinc/69/44/43/919694443.db2.gz KVFYPPVKNFRKHW-UHFFFAOYSA-N 1 2 422.363 4.218 20 5 HIBDLO C[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)Cc1ccc(OCC(F)(F)F)cc1 ZINC000511091045 919694451 /nfs/dbraw/zinc/69/44/51/919694451.db2.gz KVFYPPVKNFRKHW-UHFFFAOYSA-N 1 2 422.363 4.218 20 5 HIBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC([C@H](F)c2ccccc2F)CC1 ZINC000511097221 919701807 /nfs/dbraw/zinc/70/18/07/919701807.db2.gz UVAICKSDPGTPIQ-VLIAUNLRSA-N 1 2 403.429 4.484 20 5 HIBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC([C@H](F)c2ccccc2F)CC1 ZINC000511123070 919736068 /nfs/dbraw/zinc/73/60/68/919736068.db2.gz OVBODUNLDJUCIB-NRFANRHFSA-N 1 2 419.428 4.104 20 5 HIBDLO Cn1ccnc1[C@H]([NH2+]CCOc1cccc(C(F)(F)F)c1)c1cccc([N+](=O)[O-])c1 ZINC000513713210 922031819 /nfs/dbraw/zinc/03/18/19/922031819.db2.gz MGEOOBMKOOQTEE-GOSISDBHSA-N 1 2 420.391 4.105 20 5 HIBDLO Cn1ccnc1[C@@H]([NH2+][C@H]1C[C@@H](Oc2ccccc2)C1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000514683947 922752414 /nfs/dbraw/zinc/75/24/14/922752414.db2.gz CVBKZRPLVHGMTC-HBMCJLEFSA-N 1 2 406.486 4.253 20 5 HIBDLO COc1cc(C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C2CC2)ccc1OC(F)F ZINC000514744602 922778157 /nfs/dbraw/zinc/77/81/57/922778157.db2.gz HDZQNJUPEIYUKT-UHFFFAOYSA-N 1 2 418.400 4.246 20 5 HIBDLO COc1cc(C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C2CC2)ccc1OC(F)F ZINC000514744602 922778173 /nfs/dbraw/zinc/77/81/73/922778173.db2.gz HDZQNJUPEIYUKT-UHFFFAOYSA-N 1 2 418.400 4.246 20 5 HIBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H](Oc3ccccc3Cl)C2)c2c(c1)COCO2 ZINC000532780233 931629610 /nfs/dbraw/zinc/62/96/10/931629610.db2.gz BHBVJIBFCOBCKV-QGZVFWFLSA-N 1 2 404.850 4.158 20 5 HIBDLO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H](Oc3ccccc3Cl)C2)c2c(c1)COCO2 ZINC000532780233 931629611 /nfs/dbraw/zinc/62/96/11/931629611.db2.gz BHBVJIBFCOBCKV-QGZVFWFLSA-N 1 2 404.850 4.158 20 5 HIBDLO C[C@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000533395647 931857441 /nfs/dbraw/zinc/85/74/41/931857441.db2.gz OSSJIDOHASLVCR-CQSZACIVSA-N 1 2 407.392 4.133 20 5 HIBDLO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000534556911 932562753 /nfs/dbraw/zinc/56/27/53/932562753.db2.gz GHBYOKRUSOREPA-UHFFFAOYSA-N 1 2 408.845 4.345 20 5 HIBDLO O=C(C1CC1)N1CC[NH+](Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 ZINC000535071196 932897809 /nfs/dbraw/zinc/89/78/09/932897809.db2.gz OLGDDALJVSPYGT-UHFFFAOYSA-N 1 2 415.877 4.095 20 5 HIBDLO O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000535328349 933075210 /nfs/dbraw/zinc/07/52/10/933075210.db2.gz XCJMWAQNGOTTKJ-UHFFFAOYSA-N 1 2 415.453 4.100 20 5 HIBDLO COCCSc1ccc([C@@H](C)[NH2+]Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000539306241 938837832 /nfs/dbraw/zinc/83/78/32/938837832.db2.gz NPGNWIMEHLMRBV-CQSZACIVSA-N 1 2 414.487 4.234 20 5 HIBDLO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000539358610 938847967 /nfs/dbraw/zinc/84/79/67/938847967.db2.gz VGYOUBAQOTWOJL-UHFFFAOYSA-N 1 2 414.531 4.411 20 5 HIBDLO CCOC(=O)c1nn(-c2ccccc2)cc1C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000539531087 938874179 /nfs/dbraw/zinc/87/41/79/938874179.db2.gz MTBDCUYLPYTWIT-MRXNPFEDSA-N 1 2 408.458 4.116 20 5 HIBDLO COc1ccc(C[NH+]2CCC(C(=O)c3c(F)cc(F)cc3F)CC2)cc1[N+](=O)[O-] ZINC000539826230 938946808 /nfs/dbraw/zinc/94/68/08/938946808.db2.gz CFYZDCVMRCJDCB-UHFFFAOYSA-N 1 2 408.376 4.116 20 5 HIBDLO CC(C)[N@@H+]1CC[C@@H](NC(=O)c2csc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540802018 939378166 /nfs/dbraw/zinc/37/81/66/939378166.db2.gz YUNUHZJMUUMGFN-NVXWUHKLSA-N 1 2 411.886 4.403 20 5 HIBDLO CC(C)[N@H+]1CC[C@@H](NC(=O)c2csc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540802018 939378169 /nfs/dbraw/zinc/37/81/69/939378169.db2.gz YUNUHZJMUUMGFN-NVXWUHKLSA-N 1 2 411.886 4.403 20 5 HIBDLO COc1cccc([C@@H]2C[C@H](C)CN2C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1 ZINC000543373599 940045385 /nfs/dbraw/zinc/04/53/85/940045385.db2.gz VDYZNZVFWSXMKK-YWZLYKJASA-N 1 2 406.442 4.012 20 5 HIBDLO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1nccs1 ZINC000543453133 940067585 /nfs/dbraw/zinc/06/75/85/940067585.db2.gz FBGVPTASZNRVQD-SMDDNHRTSA-N 1 2 417.516 4.243 20 5 HIBDLO COc1cc(C[NH2+][C@H](c2ncc(C)s2)C2CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000543463904 940071976 /nfs/dbraw/zinc/07/19/76/940071976.db2.gz XBUGLVQVYXQBBH-KRWDZBQOSA-N 1 2 413.446 4.253 20 5 HIBDLO C[C@H](C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)c1ccc([N+](=O)[O-])cc1F ZINC000543579865 940118212 /nfs/dbraw/zinc/11/82/12/940118212.db2.gz FSQUZAJKXPPUAT-KQPNJSLMSA-N 1 2 423.847 4.192 20 5 HIBDLO C[C@H](C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)c1ccc([N+](=O)[O-])cc1F ZINC000543579865 940118219 /nfs/dbraw/zinc/11/82/19/940118219.db2.gz FSQUZAJKXPPUAT-KQPNJSLMSA-N 1 2 423.847 4.192 20 5 HIBDLO CC[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H](C)c1cc2ccccc2o1 ZINC000544070322 940317576 /nfs/dbraw/zinc/31/75/76/940317576.db2.gz RREVCVXJOMABSI-OAHLLOKOSA-N 1 2 402.472 4.198 20 5 HIBDLO CC[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H](C)c1cc2ccccc2o1 ZINC000544070322 940317580 /nfs/dbraw/zinc/31/75/80/940317580.db2.gz RREVCVXJOMABSI-OAHLLOKOSA-N 1 2 402.472 4.198 20 5 HIBDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)CSc2ccccc2[N+](=O)[O-])c(C)c1 ZINC000544089695 940323388 /nfs/dbraw/zinc/32/33/88/940323388.db2.gz IWASGBQJKOJYHU-GOSISDBHSA-N 1 2 410.499 4.058 20 5 HIBDLO COc1cc(C[NH+]2CCC(C(=O)c3ccc(C)cc3C)CC2)c([N+](=O)[O-])cc1F ZINC000547326667 941056231 /nfs/dbraw/zinc/05/62/31/941056231.db2.gz PDIXHELKQVDSPW-UHFFFAOYSA-N 1 2 400.450 4.454 20 5 HIBDLO C[C@@H](C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)Oc1ccccc1Cl ZINC000552062220 941577309 /nfs/dbraw/zinc/57/73/09/941577309.db2.gz QANGMRYHIWLLSA-IFXJQAMLSA-N 1 2 400.866 4.128 20 5 HIBDLO Cn1ccnc1[C@H]([NH2+]C[C@H](c1ccccc1)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000552066344 941578328 /nfs/dbraw/zinc/57/83/28/941578328.db2.gz GHXWDUBVPDUJOZ-QZTJIDSGSA-N 1 2 404.392 4.353 20 5 HIBDLO Cc1cc(C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)cc([N+](=O)[O-])c1 ZINC000552677678 941735409 /nfs/dbraw/zinc/73/54/09/941735409.db2.gz MWZKTUHIKPQKFS-GOSISDBHSA-N 1 2 405.857 4.263 20 5 HIBDLO CC(=O)c1cc(NCCc2cn3cc(Br)cc(C)c3[nH+]2)ccc1[N+](=O)[O-] ZINC000553162496 941842995 /nfs/dbraw/zinc/84/29/95/941842995.db2.gz YMOPPNKUFMIZED-UHFFFAOYSA-N 1 2 417.263 4.171 20 5 HIBDLO CCc1ccc([C@H]2CCCN(C(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)C2)cc1 ZINC000553255165 941857077 /nfs/dbraw/zinc/85/70/77/941857077.db2.gz PQHFRUFQTILEID-FQEVSTJZSA-N 1 2 404.470 4.363 20 5 HIBDLO CN(C(=O)C[NH+](Cc1cccs1)Cc1cccs1)c1ccc([N+](=O)[O-])cc1 ZINC000556565658 942900323 /nfs/dbraw/zinc/90/03/23/942900323.db2.gz SMSHDTCKOVHAQT-UHFFFAOYSA-N 1 2 401.513 4.383 20 5 HIBDLO CO[C@H](C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 ZINC000556885078 942951320 /nfs/dbraw/zinc/95/13/20/942951320.db2.gz LDADFVJOYHHKPI-RTBURBONSA-N 1 2 400.866 4.048 20 5 HIBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000558513050 943583174 /nfs/dbraw/zinc/58/31/74/943583174.db2.gz CDRMJLAYRXVJSU-MJGOQNOKSA-N 1 2 404.417 4.002 20 5 HIBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000558513050 943583185 /nfs/dbraw/zinc/58/31/85/943583185.db2.gz CDRMJLAYRXVJSU-MJGOQNOKSA-N 1 2 404.417 4.002 20 5 HIBDLO C[C@@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000559450862 943960060 /nfs/dbraw/zinc/96/00/60/943960060.db2.gz WMCJTNSIQOCUFF-AWEZNQCLSA-N 1 2 407.392 4.133 20 5 HIBDLO COc1cc(C[N@@H+]2C[C@@]3(CCCO3)[C@H]2C2CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000560627280 944279607 /nfs/dbraw/zinc/27/96/07/944279607.db2.gz FEZOSWOBFACFQN-RPWUZVMVSA-N 1 2 424.497 4.326 20 5 HIBDLO COc1cc(C[N@H+]2C[C@@]3(CCCO3)[C@H]2C2CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000560627280 944279614 /nfs/dbraw/zinc/27/96/14/944279614.db2.gz FEZOSWOBFACFQN-RPWUZVMVSA-N 1 2 424.497 4.326 20 5 HIBDLO C[C@H]1C[C@@H](c2cccnc2)[N@H+](CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 ZINC000561892692 944840789 /nfs/dbraw/zinc/84/07/89/944840789.db2.gz GLNNOUAVWCQZOA-LIRRHRJNSA-N 1 2 423.498 4.135 20 5 HIBDLO C[C@H]1C[C@@H](c2cccnc2)[N@@H+](CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 ZINC000561892692 944840793 /nfs/dbraw/zinc/84/07/93/944840793.db2.gz GLNNOUAVWCQZOA-LIRRHRJNSA-N 1 2 423.498 4.135 20 5 HIBDLO CC(C)c1csc(C[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)n1 ZINC000562071599 944922035 /nfs/dbraw/zinc/92/20/35/944922035.db2.gz HJJNFODMEJUKQJ-UHFFFAOYSA-N 1 2 417.272 4.069 20 5 HIBDLO CCc1ccc([C@@H]([NH2+]Cc2ccc(Cn3cncn3)cc2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000569886901 947035566 /nfs/dbraw/zinc/03/55/66/947035566.db2.gz JEPJAIUZGXGERT-QHCPKHFHSA-N 1 2 417.469 4.269 20 5 HIBDLO COc1cc(C[NH2+]Cc2c(F)cccc2SC)c([N+](=O)[O-])cc1OCC(F)F ZINC000571842175 947802810 /nfs/dbraw/zinc/80/28/10/947802810.db2.gz PQRFUYQEGZCRSB-UHFFFAOYSA-N 1 2 416.421 4.398 20 5 HIBDLO COCc1nc(C[NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)cs1 ZINC000574005083 948347338 /nfs/dbraw/zinc/34/73/38/948347338.db2.gz CWAQMRMRXFGGBW-UHFFFAOYSA-N 1 2 403.435 4.419 20 5 HIBDLO CC(=O)NCC[N@H+](Cc1ccc(C)s1)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000575756566 948695100 /nfs/dbraw/zinc/69/51/00/948695100.db2.gz NCAABQKGKJFXKM-UHFFFAOYSA-N 1 2 415.437 4.122 20 5 HIBDLO CC(=O)NCC[N@@H+](Cc1ccc(C)s1)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000575756566 948695122 /nfs/dbraw/zinc/69/51/22/948695122.db2.gz NCAABQKGKJFXKM-UHFFFAOYSA-N 1 2 415.437 4.122 20 5 HIBDLO