smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(C1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1)N(Cc1ccccc1)C1CC1 ZINC000303797727 972034907 /nfs/dbraw/zinc/03/49/07/972034907.db2.gz AGIKXIKQXKBGGO-UHFFFAOYSA-N 0 3 423.513 3.877 20 5 HHBDHN C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000553176233 1013137787 /nfs/dbraw/zinc/13/77/87/1013137787.db2.gz VGCFIEVNGQXHNW-XJKSGUPXSA-N 0 3 411.452 3.658 20 5 HHBDHN Cn1cc(CN2CCC[C@@H](CC(=O)OC(C)(C)C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000537726135 1013286968 /nfs/dbraw/zinc/28/69/68/1013286968.db2.gz RWXMFOFCUSGQBL-INIZCTEOSA-N 0 3 414.506 3.939 20 5 HHBDHN CCOc1cccc2cc([C@@H](C)NC[C@H](O)COc3cccc([N+](=O)[O-])c3)oc21 ZINC000542587903 1013528385 /nfs/dbraw/zinc/52/83/85/1013528385.db2.gz ZCGIQLOOCXTZAS-PBHICJAKSA-N 0 3 400.431 3.830 20 5 HHBDHN CCN1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)c(C)c2)CC1 ZINC000029375143 965362862 /nfs/dbraw/zinc/36/28/62/965362862.db2.gz LQIMMAZQSCMWLL-UHFFFAOYSA-N 0 3 402.882 3.951 20 5 HHBDHN CCN1CCN(C[C@H](C)CNc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000060380222 966122240 /nfs/dbraw/zinc/12/22/40/966122240.db2.gz IVJPSYREFUANGV-GOSISDBHSA-N 0 3 410.518 3.511 20 5 HHBDHN Cc1cc(N2CCN(CCc3ccccc3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000060858566 966311773 /nfs/dbraw/zinc/31/17/73/966311773.db2.gz CUSUBJJBIOISEG-UHFFFAOYSA-N 0 3 403.486 3.725 20 5 HHBDHN CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000553834529 1013645837 /nfs/dbraw/zinc/64/58/37/1013645837.db2.gz XYHVUXJFMXVFDH-UHFFFAOYSA-N 0 3 424.423 3.616 20 5 HHBDHN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1ccc(CCN2CCSCC2)cc1 ZINC000061287056 966421260 /nfs/dbraw/zinc/42/12/60/966421260.db2.gz MNKKCJYOEZKGOJ-UHFFFAOYSA-N 0 3 424.526 3.780 20 5 HHBDHN CC(C)(CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)N1CCc2ccccc2C1 ZINC000065725374 968614760 /nfs/dbraw/zinc/61/47/60/968614760.db2.gz CTIWGSBAGYAYAZ-UHFFFAOYSA-N 0 3 406.486 3.503 20 5 HHBDHN C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCCN(Cc2ccccc2)CC1 ZINC000105522343 969243167 /nfs/dbraw/zinc/24/31/67/969243167.db2.gz SLSKAOUXZGHJOC-MRXNPFEDSA-N 0 3 416.909 3.783 20 5 HHBDHN C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCCN(Cc2ccccc2)CC1 ZINC000105522340 969243342 /nfs/dbraw/zinc/24/33/42/969243342.db2.gz SLSKAOUXZGHJOC-INIZCTEOSA-N 0 3 416.909 3.783 20 5 HHBDHN CC(C)C(=O)Nc1ccc(CNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000236839839 970178246 /nfs/dbraw/zinc/17/82/46/970178246.db2.gz FXPBAHDTJLVJPL-UHFFFAOYSA-N 0 3 407.474 3.880 20 5 HHBDHN Cc1ccc(Sc2ccc(CNC[C@H]3CCS(=O)(=O)C3)cc2[N+](=O)[O-])cc1 ZINC000237872993 970387008 /nfs/dbraw/zinc/38/70/08/970387008.db2.gz PJQCNQCAHIHVIQ-MRXNPFEDSA-N 0 3 406.529 3.579 20 5 HHBDHN O=[N+]([O-])c1cc(CNC[C@@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)cs1 ZINC000237904871 970391414 /nfs/dbraw/zinc/39/14/14/970391414.db2.gz WRTHXFMDZZBVTR-INIZCTEOSA-N 0 3 415.437 3.838 20 5 HHBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(Cc1cccs1)C[C@H]1CCCO1 ZINC000150212441 970434750 /nfs/dbraw/zinc/43/47/50/970434750.db2.gz HYQJRIQEGAUMFZ-QGZVFWFLSA-N 0 3 403.504 3.975 20 5 HHBDHN COc1ccc(C(=O)N[C@@H](CN2CCc3ccccc3C2)C(C)(C)C)cc1[N+](=O)[O-] ZINC000410049551 973532950 /nfs/dbraw/zinc/53/29/50/973532950.db2.gz OVSZCXSCJLEYIW-NRFANRHFSA-N 0 3 411.502 3.806 20 5 HHBDHN C[C@H]1CN(CCC2CCN(C(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)CC2)C[C@H](C)O1 ZINC000426653334 974584505 /nfs/dbraw/zinc/58/45/05/974584505.db2.gz AOXQBHYECKTGAE-ROUUACIJSA-N 0 3 417.550 3.610 20 5 HHBDHN O=[N+]([O-])c1ccc(CNC[C@@H](CO)Cc2ccccc2Br)c(Cl)c1 ZINC000428531865 975826636 /nfs/dbraw/zinc/82/66/36/975826636.db2.gz AVKQPTJSZVDHEJ-LBPRGKRZSA-N 0 3 413.699 3.952 20 5 HHBDHN Cc1ccc(NC(=O)N2CCC(CCN3C[C@@H](C)O[C@H](C)C3)CC2)cc1[N+](=O)[O-] ZINC000429217835 976511738 /nfs/dbraw/zinc/51/17/38/976511738.db2.gz UDLHZXIYXSNOAT-IAGOWNOFSA-N 0 3 404.511 3.646 20 5 HHBDHN Cc1c(NC(=O)N2CCC(CCN3C[C@@H](C)O[C@H](C)C3)CC2)cccc1[N+](=O)[O-] ZINC000429224559 976517374 /nfs/dbraw/zinc/51/73/74/976517374.db2.gz XUAJWZPFFWNXFP-HZPDHXFCSA-N 0 3 404.511 3.646 20 5 HHBDHN CN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000432758965 978962365 /nfs/dbraw/zinc/96/23/65/978962365.db2.gz SEIIHXFQBHEXJP-KRWDZBQOSA-N 0 3 418.291 3.704 20 5 HHBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000434062021 979801247 /nfs/dbraw/zinc/80/12/47/979801247.db2.gz IAIWVWKNTSELSB-QRQLOZEOSA-N 0 3 400.523 3.530 20 5 HHBDHN Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000434332228 980096133 /nfs/dbraw/zinc/09/61/33/980096133.db2.gz HXBIXFBJOQPZST-GOSISDBHSA-N 0 3 405.458 3.799 20 5 HHBDHN C[C@H](Nc1ccc(C(=O)NC[C@H]2CCCCN2C2CC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000434420646 980160978 /nfs/dbraw/zinc/16/09/78/980160978.db2.gz HLMWHSNCIOMTJX-QFBILLFUSA-N 0 3 423.517 3.910 20 5 HHBDHN Cc1c(C(=O)Nc2ccnn2[C@@H]2CCN(Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000435376897 980826040 /nfs/dbraw/zinc/82/60/40/980826040.db2.gz VZQZTGBCTSEWOZ-GOSISDBHSA-N 0 3 405.458 3.799 20 5 HHBDHN O=C(Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000435378276 980826857 /nfs/dbraw/zinc/82/68/57/980826857.db2.gz HVZBVIPVCRBDQS-QGZVFWFLSA-N 0 3 409.421 3.630 20 5 HHBDHN O=C([C@@H]1CC[C@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1)N1CCCCC1 ZINC000435741031 981011225 /nfs/dbraw/zinc/01/12/25/981011225.db2.gz GZHHOILNLHRNGJ-SJORKVTESA-N 0 3 414.531 3.989 20 5 HHBDHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437239798 981897045 /nfs/dbraw/zinc/89/70/45/981897045.db2.gz WDENOCKJQIWAJF-UHFFFAOYSA-N 0 3 413.371 3.957 20 5 HHBDHN O=C(NC[C@H]1CCCN1Cc1ccccc1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437949703 982481363 /nfs/dbraw/zinc/48/13/63/982481363.db2.gz DIZOMIKQRFGDQO-OAQYLSRUSA-N 0 3 408.502 3.933 20 5 HHBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NC2CCN(CCOc3ccc(Cl)cc3)CC2)c1 ZINC000461060011 982757491 /nfs/dbraw/zinc/75/74/91/982757491.db2.gz QJOUQBIHPKYCRN-UHFFFAOYSA-N 0 3 417.893 3.830 20 5 HHBDHN CCN(C(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000438662302 982980021 /nfs/dbraw/zinc/98/00/21/982980021.db2.gz WSJXMMXRHHQUIC-YLJYHZDGSA-N 0 3 424.501 3.526 20 5 HHBDHN C[C@@H](c1ccncc1)N1CCC(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 ZINC000439757390 983526988 /nfs/dbraw/zinc/52/69/88/983526988.db2.gz GPBFUODZWDMZRY-KRWDZBQOSA-N 0 3 423.517 3.545 20 5 HHBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(CCN(C)C)Cc1cccc(OC)c1 ZINC000439886563 983570170 /nfs/dbraw/zinc/57/01/70/983570170.db2.gz GVXMOWDSQWVZDF-UHFFFAOYSA-N 0 3 416.478 3.598 20 5 HHBDHN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)cc1 ZINC000440910968 983967554 /nfs/dbraw/zinc/96/75/54/983967554.db2.gz FOTZJDLDQDXAFX-GJZGRUSLSA-N 0 3 411.458 3.751 20 5 HHBDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000462158039 985131450 /nfs/dbraw/zinc/13/14/50/985131450.db2.gz KCINCRDIJOEVDK-SCLBCKFNSA-N 0 3 418.291 3.608 20 5 HHBDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000462175464 985154322 /nfs/dbraw/zinc/15/43/22/985154322.db2.gz JWKGGXHFPQGHOR-SUMWQHHRSA-N 0 3 407.392 3.864 20 5 HHBDHN CN1CCN(CCCNc2ccc([N+](=O)[O-])c(OC(F)F)c2)[C@@H](c2ccccc2)C1 ZINC000462924234 985858054 /nfs/dbraw/zinc/85/80/54/985858054.db2.gz LPYHBSMZCCGPNW-LJQANCHMSA-N 0 3 420.460 3.987 20 5 HHBDHN CC(C)C[C@H](CNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)N(C)C ZINC000444007937 986203838 /nfs/dbraw/zinc/20/38/38/986203838.db2.gz DHXZAWQPUIENHC-CQSZACIVSA-N 0 3 401.457 3.666 20 5 HHBDHN O=C(NCCCN1CCc2ccccc2C1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463414145 986384424 /nfs/dbraw/zinc/38/44/24/986384424.db2.gz MUZXPHGCDSTUSH-UHFFFAOYSA-N 0 3 407.392 3.792 20 5 HHBDHN COc1cccc(C(=O)Nc2cc(C)cc(N3CCN(C(C)C)CC3)c2)c1[N+](=O)[O-] ZINC000444414939 986595998 /nfs/dbraw/zinc/59/59/98/986595998.db2.gz YWXZIXGKERUPSW-UHFFFAOYSA-N 0 3 412.490 3.695 20 5 HHBDHN CCCN(Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000444682868 986863047 /nfs/dbraw/zinc/86/30/47/986863047.db2.gz VZIACUKTOWWSFK-UHFFFAOYSA-N 0 3 423.521 3.759 20 5 HHBDHN COC(=O)c1ccccc1C(=O)c1ccc(NCC2(N(C)C)CCC2)c([N+](=O)[O-])c1 ZINC000445600136 987669723 /nfs/dbraw/zinc/66/97/23/987669723.db2.gz KRKHYBMHJBQXSJ-UHFFFAOYSA-N 0 3 411.458 3.509 20 5 HHBDHN CN(C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000470657320 988674337 /nfs/dbraw/zinc/67/43/37/988674337.db2.gz RPGIITPKQAFQGL-OAQYLSRUSA-N 0 3 422.529 3.932 20 5 HHBDHN CN(C(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000470667361 988688059 /nfs/dbraw/zinc/68/80/59/988688059.db2.gz LNXFFSUDOCDDOO-IBGZPJMESA-N 0 3 401.894 3.914 20 5 HHBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@@H](C)c1cn(C(C)(C)C)nc1C ZINC000464599802 988782153 /nfs/dbraw/zinc/78/21/53/988782153.db2.gz DGMZTYOLWJODSN-ZDUSSCGKSA-N 0 3 403.483 3.543 20 5 HHBDHN C[C@H]1CCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CCN1Cc1ccccc1 ZINC000464903945 989177055 /nfs/dbraw/zinc/17/70/55/989177055.db2.gz MSISVCBFNOGADK-SFHVURJKSA-N 0 3 406.486 3.673 20 5 HHBDHN C[C@](CO)(NCC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)C1CCCCC1 ZINC000471245995 989392788 /nfs/dbraw/zinc/39/27/88/989392788.db2.gz WXDOMYBKAVWYEB-HXUWFJFHSA-N 0 3 418.519 3.578 20 5 HHBDHN C[C@@H](NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])[C@H](c1ccccc1)N(C)C ZINC000471528204 989728041 /nfs/dbraw/zinc/72/80/41/989728041.db2.gz LKONCYOPBGQQMU-JLTOFOAXSA-N 0 3 405.882 3.825 20 5 HHBDHN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000466228733 991452243 /nfs/dbraw/zinc/45/22/43/991452243.db2.gz SHEIJGVNEBTIJV-QGZVFWFLSA-N 0 3 402.882 3.712 20 5 HHBDHN COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)cc1SC ZINC000467047988 992357668 /nfs/dbraw/zinc/35/76/68/992357668.db2.gz SXCCIDMDBRCCAF-GOEBONIOSA-N 0 3 415.515 3.718 20 5 HHBDHN O=C(NC1CCN(CCOc2ccc(Cl)cc2)CC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000467584922 992860496 /nfs/dbraw/zinc/86/04/96/992860496.db2.gz WTZXWCXFOSYDJE-UHFFFAOYSA-N 0 3 421.856 3.661 20 5 HHBDHN O=C(CSc1ccc([N+](=O)[O-])cc1)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000473523069 994378757 /nfs/dbraw/zinc/37/87/57/994378757.db2.gz RMBRZJSLEGNVMF-UHFFFAOYSA-N 0 3 417.453 3.608 20 5 HHBDHN C[C@H](Cc1ccccc1C(F)(F)F)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000481997408 994898967 /nfs/dbraw/zinc/89/89/67/994898967.db2.gz FBUIESNHEPHWNU-CYBMUJFWSA-N 0 3 416.421 3.608 20 5 HHBDHN COC(=O)COc1ccc(CNCc2c(C)c(C)c(C)c(C)c2C)cc1[N+](=O)[O-] ZINC000473992564 994981438 /nfs/dbraw/zinc/98/14/38/994981438.db2.gz FPRZLHCRDDPGTL-UHFFFAOYSA-N 0 3 400.475 3.979 20 5 HHBDHN COc1cc(C(=O)Nc2cc(CN(C)C)ccc2C)c([N+](=O)[O-])cc1OC(F)F ZINC000482616971 995613271 /nfs/dbraw/zinc/61/32/71/995613271.db2.gz NDKPZKCITAEQAZ-UHFFFAOYSA-N 0 3 409.389 3.827 20 5 HHBDHN O=[N+]([O-])c1ccc(OCCN[C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)cc1 ZINC000483253838 996062487 /nfs/dbraw/zinc/06/24/87/996062487.db2.gz LNERPIBZNDVQJW-INIZCTEOSA-N 0 3 404.772 3.969 20 5 HHBDHN O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]Cc2ncccc2[O-])cc1 ZINC000475339118 996078285 /nfs/dbraw/zinc/07/82/85/996078285.db2.gz ZOTYHOIXRKECST-UHFFFAOYSA-N 0 3 401.426 3.838 20 5 HHBDHN COC(=O)COc1ccc(CN2CC[C@H](CSc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000475700951 996308999 /nfs/dbraw/zinc/30/89/99/996308999.db2.gz KQAJHIZLNQFYPF-KRWDZBQOSA-N 0 3 416.499 3.761 20 5 HHBDHN COc1ccc(NC(=O)CN[C@@H]2CCCC[C@H]2Oc2cccc(C)c2)c([N+](=O)[O-])c1 ZINC000484651840 996988788 /nfs/dbraw/zinc/98/87/88/996988788.db2.gz NUIBFGRXNIOCOO-TZIWHRDSSA-N 0 3 413.474 3.830 20 5 HHBDHN O=C(NC[C@H](c1ccccc1)N1CCCC1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000485080654 997451018 /nfs/dbraw/zinc/45/10/18/997451018.db2.gz UDDCBOADTRSEHB-QGZVFWFLSA-N 0 3 405.401 3.763 20 5 HHBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)[C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000477043930 997678968 /nfs/dbraw/zinc/67/89/68/997678968.db2.gz OBIDUZJQBHVPHL-WQIZZMQYSA-N 0 3 403.504 3.662 20 5 HHBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000485843232 998308362 /nfs/dbraw/zinc/30/83/62/998308362.db2.gz JRXMIUPAAXULNM-HZPDHXFCSA-N 0 3 421.563 3.668 20 5 HHBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC(OCCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000492913125 1000149430 /nfs/dbraw/zinc/14/94/30/1000149430.db2.gz RCXCHHMSCGTOHH-QRVBRYPASA-N 0 3 405.539 3.554 20 5 HHBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000505583959 1000920303 /nfs/dbraw/zinc/92/03/03/1000920303.db2.gz BSDUSDVRFIOTHD-SFHVURJKSA-N 0 3 403.429 3.711 20 5 HHBDHN Cc1cccc(N2CCN(CCC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C3CC3)CC2)c1 ZINC000497576290 1001443121 /nfs/dbraw/zinc/44/31/21/1001443121.db2.gz FKRQGRLSQUUQKB-UHFFFAOYSA-N 0 3 422.529 3.607 20 5 HHBDHN CCOCCCNC(=O)C1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000507140866 1001832793 /nfs/dbraw/zinc/83/27/93/1001832793.db2.gz FJJRZDNHXBUCFE-UHFFFAOYSA-N 0 3 415.490 3.610 20 5 HHBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@H](c1ccc(Cl)cc1)N1CCOCC1 ZINC000507935295 1002469377 /nfs/dbraw/zinc/46/93/77/1002469377.db2.gz WTXKIXQMEHUGFL-HXUWFJFHSA-N 0 3 419.909 3.810 20 5 HHBDHN O=C(Nc1cccc(CN2CCC(CO)CC2)c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000508069273 1002590983 /nfs/dbraw/zinc/59/09/83/1002590983.db2.gz HTTWRNZLRMNJFH-UHFFFAOYSA-N 0 3 403.866 3.705 20 5 HHBDHN CCOc1cc(CN2CCCSCC2)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000508692689 1003131068 /nfs/dbraw/zinc/13/10/68/1003131068.db2.gz WZVXXDSNMAFRRY-UHFFFAOYSA-N 0 3 420.535 3.516 20 5 HHBDHN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000509005955 1003477842 /nfs/dbraw/zinc/47/78/42/1003477842.db2.gz VYOBOWQJEPBTNK-IYBDPMFKSA-N 0 3 409.552 3.716 20 5 HHBDHN C[C@]1(CN[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CCOC1 ZINC000500290178 1003602683 /nfs/dbraw/zinc/60/26/83/1003602683.db2.gz MUUCRBAFGXZKNF-AZUAARDMSA-N 0 3 403.866 3.944 20 5 HHBDHN COc1ccc([C@H](CN2CCCC2)NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)cc1 ZINC000500407943 1003697757 /nfs/dbraw/zinc/69/77/57/1003697757.db2.gz MIMLRMSDDHMIGJ-NRFANRHFSA-N 0 3 408.458 3.652 20 5 HHBDHN CCOc1ccc(C(=O)N[C@@H](CN2CCCC2)c2ccc(OC)cc2)cc1[N+](=O)[O-] ZINC000500429118 1003711102 /nfs/dbraw/zinc/71/11/02/1003711102.db2.gz ZYVAFNIYCDEDMG-IBGZPJMESA-N 0 3 413.474 3.569 20 5 HHBDHN O=C(COc1ccccc1)N1CC[C@@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000509430825 1003856656 /nfs/dbraw/zinc/85/66/56/1003856656.db2.gz NEJXPFFYWHOMPV-GOSISDBHSA-N 0 3 421.453 3.624 20 5 HHBDHN CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000501075451 1004180301 /nfs/dbraw/zinc/18/03/01/1004180301.db2.gz IKAUXPJXVMJSQA-PKOBYXMFSA-N 0 3 424.284 3.820 20 5 HHBDHN CC[C@@H](C)N[C@@H](CNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ccco1 ZINC000501215436 1004285939 /nfs/dbraw/zinc/28/59/39/1004285939.db2.gz YZLMHLUJRIPBPX-CJNGLKHVSA-N 0 3 408.886 3.812 20 5 HHBDHN COc1ccccc1[C@@H]1CC[C@@H](C)CN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000510193357 1004388335 /nfs/dbraw/zinc/38/83/35/1004388335.db2.gz QECWNQWECBMNFV-AOIWGVFYSA-N 0 3 400.475 3.816 20 5 HHBDHN COc1ccc(OCCN[C@H]2CCOc3c(Br)cccc32)c([N+](=O)[O-])c1 ZINC000501520696 1004485969 /nfs/dbraw/zinc/48/59/69/1004485969.db2.gz LMDASQUWCHOLSK-HNNXBMFYSA-N 0 3 423.263 3.858 20 5 HHBDHN O=C(NC[C@H]1CCCN1Cc1ccccc1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000513216828 1004865956 /nfs/dbraw/zinc/86/59/56/1004865956.db2.gz HIQQVZUXGTUDSN-OAQYLSRUSA-N 0 3 422.529 3.592 20 5 HHBDHN COc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCN2Cc2ccccc2)cc1SC ZINC000513259187 1004883288 /nfs/dbraw/zinc/88/32/88/1004883288.db2.gz AOEQIBXMOSQQTJ-MRXNPFEDSA-N 0 3 415.515 3.720 20 5 HHBDHN CCCOc1cc(NC(=O)N[C@@H](C)C2=CCN(C)CC2)c([N+](=O)[O-])cc1OCCC ZINC000511249320 1005090716 /nfs/dbraw/zinc/09/07/16/1005090716.db2.gz OHELXYLDSFLJKC-HNNXBMFYSA-N 0 3 420.510 3.944 20 5 HHBDHN CC(C)N1CCN(c2cccc(NC(=O)CCNc3ccccc3[N+](=O)[O-])c2)CC1 ZINC000502868837 1005251160 /nfs/dbraw/zinc/25/11/60/1005251160.db2.gz KUANFWDZIOYSAY-UHFFFAOYSA-N 0 3 411.506 3.566 20 5 HHBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])NCC(=O)N[C@@H]1CCOc2ccccc21 ZINC000503855545 1005500896 /nfs/dbraw/zinc/50/08/96/1005500896.db2.gz LAKXDVJFXQQUSS-DOTOQJQBSA-N 0 3 415.515 3.695 20 5 HHBDHN COC(=O)CC1(NCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CCOCC1 ZINC000531784308 1006425081 /nfs/dbraw/zinc/42/50/81/1006425081.db2.gz ZKKGMDMOCNCLJF-UHFFFAOYSA-N 0 3 418.421 3.728 20 5 HHBDHN CCNC(=O)N1CC[C@H](NCc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000531863118 1006484106 /nfs/dbraw/zinc/48/41/06/1006484106.db2.gz BXCPKPPBRLCBGL-HNNXBMFYSA-N 0 3 418.881 3.934 20 5 HHBDHN C[C@@H](NCCS(=O)(=O)NC(C)(C)C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000539042285 1007340251 /nfs/dbraw/zinc/34/02/51/1007340251.db2.gz YOONNMRLUVYZLG-CYBMUJFWSA-N 0 3 411.549 3.692 20 5 HHBDHN Cc1cccc(NC2CCN(CCCn3c4cc([N+](=O)[O-])ccc4oc3=O)CC2)c1 ZINC000533071469 1007433683 /nfs/dbraw/zinc/43/36/83/1007433683.db2.gz HCCIVQGOKKRYOV-UHFFFAOYSA-N 0 3 410.474 3.778 20 5 HHBDHN C[C@H]1CN(Cc2ccccc2)CCCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000533292520 1007606372 /nfs/dbraw/zinc/60/63/72/1007606372.db2.gz OAUKJISXIZWSLE-INIZCTEOSA-N 0 3 416.909 3.783 20 5 HHBDHN C[C@@H]1CN(Cc2ccccc2)CCCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000533292521 1007606594 /nfs/dbraw/zinc/60/65/94/1007606594.db2.gz OAUKJISXIZWSLE-MRXNPFEDSA-N 0 3 416.909 3.783 20 5 HHBDHN O=C(NC[C@@H]1CCCN(CCOc2ccc([N+](=O)[O-])cc2)C1)Nc1cccc(F)c1 ZINC000533508182 1007824448 /nfs/dbraw/zinc/82/44/48/1007824448.db2.gz PWHVCMZMUJTCDE-INIZCTEOSA-N 0 3 416.453 3.646 20 5 HHBDHN COC(=O)C[C@H]1CCCN1Cc1ccc(OC)c(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000539821567 1008115602 /nfs/dbraw/zinc/11/56/02/1008115602.db2.gz PVPHFIZYONNFPU-LJQANCHMSA-N 0 3 414.458 3.710 20 5 HHBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000539885376 1008161456 /nfs/dbraw/zinc/16/14/56/1008161456.db2.gz JWGPWPFBZVOLDP-UHFFFAOYSA-N 0 3 411.502 3.977 20 5 HHBDHN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000533938444 1008219896 /nfs/dbraw/zinc/21/98/96/1008219896.db2.gz TWPXFYUDOCXKJE-KRWDZBQOSA-N 0 3 406.486 3.742 20 5 HHBDHN CN(C)CCN(Cc1ccccc1F)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000518638791 1008374978 /nfs/dbraw/zinc/37/49/78/1008374978.db2.gz IFHMYWQFFMUBRG-UHFFFAOYSA-N 0 3 414.481 3.538 20 5 HHBDHN O=[N+]([O-])c1ccccc1-c1ccc(CNC[C@@H]2CN(Cc3ccccc3)CCO2)o1 ZINC000518768882 1008417200 /nfs/dbraw/zinc/41/72/00/1008417200.db2.gz JPDRLFYJNOYQGB-HXUWFJFHSA-N 0 3 407.470 3.845 20 5 HHBDHN CC(C)(C)[C@@H](COc1ccccc1F)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000543183310 1008757821 /nfs/dbraw/zinc/75/78/21/1008757821.db2.gz NZYVNVGVWMJRKB-LJQANCHMSA-N 0 3 424.494 3.591 20 5 HHBDHN CN(C)C[C@H](NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000549229613 1008799962 /nfs/dbraw/zinc/79/99/62/1008799962.db2.gz AKTJAELENYHVOK-IBGZPJMESA-N 0 3 404.898 3.859 20 5 HHBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCCN(C)[C@@H]2c2cccs2)c1 ZINC000549301210 1008876049 /nfs/dbraw/zinc/87/60/49/1008876049.db2.gz UDBVFJQVHJZBMX-LIRRHRJNSA-N 0 3 403.504 3.868 20 5 HHBDHN COc1ccccc1CC(=O)N1CCC(NCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000543399506 1008991761 /nfs/dbraw/zinc/99/17/61/1008991761.db2.gz QIBJMRPWCYXCCZ-UHFFFAOYSA-N 0 3 417.893 3.580 20 5 HHBDHN CS(=O)(=O)Nc1ccc(CNCc2ccc(-c3ccccc3[N+](=O)[O-])s2)cc1 ZINC000520203180 1009339224 /nfs/dbraw/zinc/33/92/24/1009339224.db2.gz MTSOWZBAXAQZQQ-UHFFFAOYSA-N 0 3 417.512 3.985 20 5 HHBDHN COc1ccc2[nH]cc(C3=CCN(C[C@@H](O)COc4cccc([N+](=O)[O-])c4)CC3)c2c1 ZINC000549761127 1009377289 /nfs/dbraw/zinc/37/72/89/1009377289.db2.gz FQEDVMWMCFACES-GOSISDBHSA-N 0 3 423.469 3.614 20 5 HHBDHN O=C(NC[C@H]1CCCCN1Cc1ccccc1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000520311679 1009437783 /nfs/dbraw/zinc/43/77/83/1009437783.db2.gz UBZZETXBAXLUPT-GOSISDBHSA-N 0 3 420.469 3.633 20 5 HHBDHN CCN(CC)[C@H](CNC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)c1ccsc1 ZINC000520675521 1009747558 /nfs/dbraw/zinc/74/75/58/1009747558.db2.gz UUJOLCCUIGKFFF-GOSISDBHSA-N 0 3 418.519 3.643 20 5 HHBDHN CN(C)CCN(Cc1cccc(O)c1)C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000544275637 1009893172 /nfs/dbraw/zinc/89/31/72/1009893172.db2.gz REPVQMKHAMZOFE-UHFFFAOYSA-N 0 3 423.922 3.636 20 5 HHBDHN COc1ccc(NC(=O)CCN2CC[C@H](Oc3ccc(Cl)cc3)C2)c([N+](=O)[O-])c1 ZINC000550390745 1009901122 /nfs/dbraw/zinc/90/11/22/1009901122.db2.gz HBMZEGYDDKTCHU-KRWDZBQOSA-N 0 3 419.865 3.739 20 5 HHBDHN COCCN1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000544491065 1010115139 /nfs/dbraw/zinc/11/51/39/1010115139.db2.gz OENDTEGMWDEAGV-SFHVURJKSA-N 0 3 421.563 3.718 20 5 HHBDHN COc1cc(CNC[C@@H](C)c2ncc(C)s2)c([N+](=O)[O-])cc1OCC(F)F ZINC000544617008 1010241773 /nfs/dbraw/zinc/24/17/73/1010241773.db2.gz JWICSZQRKYHKGK-SNVBAGLBSA-N 0 3 401.435 3.906 20 5 HHBDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000521249842 1010255668 /nfs/dbraw/zinc/25/56/68/1010255668.db2.gz DUZUFMZKBQUJFK-RVKKMQEKSA-N 0 3 417.893 3.967 20 5 HHBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2Cc3ccccc3[C@@H](c3ccccc3)C2)c1 ZINC000521348011 1010322675 /nfs/dbraw/zinc/32/26/75/1010322675.db2.gz BMTGWTIZXHSNRA-XUZZJYLKSA-N 0 3 404.466 3.982 20 5 HHBDHN COc1ccc(CSCC(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)cc1[N+](=O)[O-] ZINC000521499577 1010415195 /nfs/dbraw/zinc/41/51/95/1010415195.db2.gz YCYUECFCIXAYDD-IBGZPJMESA-N 0 3 417.531 3.564 20 5 HHBDHN CC(C)(C)[C@H](O)C[C@@H](CO)NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000551616367 1010699720 /nfs/dbraw/zinc/69/97/20/1010699720.db2.gz YWPSGRUIWUNOJJ-OXJNMPFZSA-N 0 3 406.454 3.774 20 5 HHBDHN COc1ccc(CN2CCC[C@H]([C@@H](C)O)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000540961717 1011603069 /nfs/dbraw/zinc/60/30/69/1011603069.db2.gz GEJFMCZYSMEKLX-APWZRJJASA-N 0 3 400.475 3.775 20 5 HHBDHN CCC1(O)CCN(Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)CC1 ZINC000536659589 1011808198 /nfs/dbraw/zinc/80/81/98/1011808198.db2.gz QPOHKRXIHIVKCP-UHFFFAOYSA-N 0 3 400.475 3.919 20 5 HHBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC[C@H](COc2ccccc2Cl)C1 ZINC000541280968 1011974284 /nfs/dbraw/zinc/97/42/84/1011974284.db2.gz ANHHCPBLRJNCFF-IRXDYDNUSA-N 0 3 420.893 3.779 20 5 HHBDHN C[C@@H](NC(=O)N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1)c1ccccc1[N+](=O)[O-] ZINC000537097258 1012460236 /nfs/dbraw/zinc/46/02/36/1012460236.db2.gz HMDYTJUPEOTXQU-FGTMMUONSA-N 0 3 418.538 3.577 20 5 HHBDHN O=C(CN[C@@H](C[C@@H]1CCOC1)c1ccccc1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000537132701 1012517875 /nfs/dbraw/zinc/51/78/75/1012517875.db2.gz MSYCMTSHEDJJGS-LIRRHRJNSA-N 0 3 403.866 3.944 20 5 HHBDHN CCc1ccc([C@@H](CNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])N(C)C)cc1 ZINC000523885443 1012587094 /nfs/dbraw/zinc/58/70/94/1012587094.db2.gz URYCEPHZNOVXKG-LJQANCHMSA-N 0 3 419.909 3.999 20 5 HHBDHN NC(=O)[C@@H](CNCc1ccc(-c2ccccc2[N+](=O)[O-])o1)Cc1ccccc1Cl ZINC000537431964 1012919685 /nfs/dbraw/zinc/91/96/85/1012919685.db2.gz OJOKMDALIOVGAJ-OAHLLOKOSA-N 0 3 413.861 3.942 20 5 HHBDHN C[C@@H](C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000571493306 1072640250 /nfs/dbraw/zinc/64/02/50/1072640250.db2.gz KTVREZYGBKCYSI-IERDGZPVSA-N 0 3 424.501 3.503 20 5 HHBDHN COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)cc1SC ZINC000571714334 1072701341 /nfs/dbraw/zinc/70/13/41/1072701341.db2.gz QTVATUJYDNRIEC-PBHICJAKSA-N 0 3 415.515 3.718 20 5 HHBDHN Cc1c(NC(=O)[C@H](C)N[C@H]2CCN(C)[C@H]2c2ccc(F)c(F)c2)cccc1[N+](=O)[O-] ZINC000571811672 1072861982 /nfs/dbraw/zinc/86/19/82/1072861982.db2.gz YUFYJKKXCDZGMZ-GMVOTWDCSA-N 0 3 418.444 3.543 20 5 HHBDHN NC(=O)c1cccc(NCC2CCN(Cc3ccccc3Cl)CC2)c1[N+](=O)[O-] ZINC000571889918 1072866533 /nfs/dbraw/zinc/86/65/33/1072866533.db2.gz KZFXUYYHSJZUFZ-UHFFFAOYSA-N 0 3 402.882 3.671 20 5 HHBDHN CC(C)Oc1ccc([C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)N(C)C)cc1 ZINC000568067985 1074111067 /nfs/dbraw/zinc/11/10/67/1074111067.db2.gz NNJMCKJMXXZZIC-LJQANCHMSA-N 0 3 404.442 3.946 20 5 HHBDHN C[C@@H]1[C@@H](NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CCN1Cc1ccccc1 ZINC000574665917 1075300737 /nfs/dbraw/zinc/30/07/37/1075300737.db2.gz OQEYWPNVINBYJN-UTKZUKDTSA-N 0 3 408.502 3.932 20 5 HHBDHN O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC001164627214 719067929 /nfs/dbraw/zinc/06/79/29/719067929.db2.gz PWKRWBLEKOVMLE-ZIAGYGMSSA-N 0 3 408.289 3.792 20 5 HHBDHN COc1cc(CN2CC[C@@H](Nc3ccc4cc([N+](=O)[O-])ccc4n3)C2)cc(OC)c1 ZINC000301565354 970982313 /nfs/dbraw/zinc/98/23/13/970982313.db2.gz MCXRQWJPVUDPIK-QGZVFWFLSA-N 0 3 408.458 3.847 20 5 HHBDHN Cc1cc(N2C[C@@H]3[C@H](C2)OCCN3Cc2ccccc2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302055868 971164368 /nfs/dbraw/zinc/16/43/68/971164368.db2.gz ARMTXQZJFHWOCS-PKTZIBPZSA-N 0 3 404.470 3.541 20 5 HHBDHN CN(C)[C@@H](CNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2)c1cccc(C(F)(F)F)c1 ZINC000302230953 971213115 /nfs/dbraw/zinc/21/31/15/971213115.db2.gz XHUXJPCVHULXOL-INIZCTEOSA-N 0 3 424.379 3.659 20 5 HHBDHN CN(C)CCN(Cc1ccc(F)cc1F)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000524271237 1013082711 /nfs/dbraw/zinc/08/27/11/1013082711.db2.gz DQMRXUSRQZXUMT-UHFFFAOYSA-N 0 3 402.401 3.558 20 5 HHBDHN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](NCC[C@@H]1CCOC1)c1ccccc1 ZINC000542211834 1013158803 /nfs/dbraw/zinc/15/88/03/1013158803.db2.gz SGTVEVCQUODPSA-AUUYWEPGSA-N 0 3 403.866 3.944 20 5 HHBDHN CCc1ccc([C@H](CNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)N(C)C)cc1 ZINC000011604019 962142368 /nfs/dbraw/zinc/14/23/68/962142368.db2.gz LWHGWJDUADFJNS-QHCPKHFHSA-N 0 3 424.545 3.793 20 5 HHBDHN O=[N+]([O-])c1cc2c(ncnc2NC2CC(N3CCC(C(F)(F)F)CC3)C2)s1 ZINC000553567765 1013464070 /nfs/dbraw/zinc/46/40/70/1013464070.db2.gz KTBDKCQIJTZIRV-UHFFFAOYSA-N 0 3 401.414 3.817 20 5 HHBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN(Cc2cccc(Br)c2)C2CC2)c1 ZINC000026446958 964565262 /nfs/dbraw/zinc/56/52/62/964565262.db2.gz WKNSZVCPQJZXQZ-SFHVURJKSA-N 0 3 421.291 3.762 20 5 HHBDHN COc1cc(C(=O)NC[C@@H](c2ccc(OC(C)C)cc2)N(C)C)cc([N+](=O)[O-])c1C ZINC000553668775 1013534482 /nfs/dbraw/zinc/53/44/82/1013534482.db2.gz YCOBXTJSYKLJLF-FQEVSTJZSA-N 0 3 415.490 3.732 20 5 HHBDHN C[C@H]1CN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CCN(C2CCC2)C1 ZINC000553863599 1013664566 /nfs/dbraw/zinc/66/45/66/1013664566.db2.gz ZSSBSGPEHVTHLY-CQSZACIVSA-N 0 3 400.504 3.665 20 5 HHBDHN O=C(Nc1ccc(CCN2CCSCC2)cc1)Nc1ccc([N+](=O)[O-])cc1F ZINC000542763250 1013668165 /nfs/dbraw/zinc/66/81/65/1013668165.db2.gz OOXZTXBCGBCYSE-UHFFFAOYSA-N 0 3 404.467 3.969 20 5 HHBDHN CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CCC[C@H](c3nnc(C)[nH]3)C2)cc1OC ZINC000542882787 1013731306 /nfs/dbraw/zinc/73/13/06/1013731306.db2.gz HLEWQRRDHPGCIM-ZBFHGGJFSA-N 0 3 417.510 3.834 20 5 HHBDHN O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N(CCN1CCCC1)c1ccccc1 ZINC000542891919 1013737002 /nfs/dbraw/zinc/73/70/02/1013737002.db2.gz YJOCLXXBCJSEJH-UHFFFAOYSA-N 0 3 405.401 3.939 20 5 HHBDHN CC(C)Oc1ccc([C@@H](CNC(=O)CSc2ccc([N+](=O)[O-])cc2)N(C)C)cc1 ZINC000554039563 1013768763 /nfs/dbraw/zinc/76/87/63/1013768763.db2.gz RTBSIEBTNQKTSZ-HXUWFJFHSA-N 0 3 417.531 3.893 20 5 HHBDHN CCN1CCN(c2ccc(NC(=O)N[C@H](C)c3cccc([N+](=O)[O-])c3)c(C)c2)CC1 ZINC000047373436 968162572 /nfs/dbraw/zinc/16/25/72/968162572.db2.gz POLBOQVUROLFPL-QGZVFWFLSA-N 0 3 411.506 3.928 20 5 HHBDHN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000047864698 968345969 /nfs/dbraw/zinc/34/59/69/968345969.db2.gz VPRSNAYDANBJPF-CQSZACIVSA-N 0 3 406.389 3.592 20 5 HHBDHN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000538271627 1013811011 /nfs/dbraw/zinc/81/10/11/1013811011.db2.gz JEMNEXWSLGANJK-HZPDHXFCSA-N 0 3 409.552 3.715 20 5 HHBDHN C[C@H]1C[C@H]1N1CCN(C(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)C[C@H](C)C1 ZINC000554129107 1013812268 /nfs/dbraw/zinc/81/22/68/1013812268.db2.gz YYWAKLWYBIAKTE-LVCYWYKZSA-N 0 3 414.550 3.633 20 5 HHBDHN CC1CCN([C@@H](CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c2ccccc2)CC1 ZINC000072006495 968928823 /nfs/dbraw/zinc/92/88/23/968928823.db2.gz ZFLKFWVQUPCPIE-FQEVSTJZSA-N 0 3 412.446 3.706 20 5 HHBDHN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCC(C)(C)N[C@@H](C)c2ccccc2)c1C ZINC000111049138 969766896 /nfs/dbraw/zinc/76/68/96/969766896.db2.gz AJKHRMDDUCDBTA-INIZCTEOSA-N 0 3 405.520 3.619 20 5 HHBDHN CC(C)(C)OC(=O)NC[C@H](NCc1ccc(Br)c([N+](=O)[O-])c1)C1CC1 ZINC000236796484 970173357 /nfs/dbraw/zinc/17/33/57/970173357.db2.gz VNSCKNZVSCJGOJ-AWEZNQCLSA-N 0 3 414.300 3.750 20 5 HHBDHN CN1CCN(c2ccc(C(F)(F)F)cc2CNCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000237233510 970245772 /nfs/dbraw/zinc/24/57/72/970245772.db2.gz QEJDSDZRSQPLEH-UHFFFAOYSA-N 0 3 408.424 3.655 20 5 HHBDHN CSC[C@@H](CCO)NCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000237361109 970269663 /nfs/dbraw/zinc/26/96/63/970269663.db2.gz KAPXPBYUOVJDIW-LLVKDONJSA-N 0 3 415.309 3.821 20 5 HHBDHN Cc1nccn1-c1ccc(CNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1F ZINC000237651094 970330634 /nfs/dbraw/zinc/33/06/34/970330634.db2.gz QBYAQLXSHNOQBI-UHFFFAOYSA-N 0 3 420.448 3.918 20 5 HHBDHN Cn1cc(CNCc2ccnc(N3CCCCC3)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237781879 970365781 /nfs/dbraw/zinc/36/57/81/970365781.db2.gz DGBJZSABCXGFIQ-UHFFFAOYSA-N 0 3 406.490 3.670 20 5 HHBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(Cc1cccs1)C[C@H]1CCCO1 ZINC000150211887 970435137 /nfs/dbraw/zinc/43/51/37/970435137.db2.gz DOUNMZKKXGEOHG-QGZVFWFLSA-N 0 3 403.504 3.975 20 5 HHBDHN C[C@H](CNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)N1CCc2ccccc2C1 ZINC000301109346 970752966 /nfs/dbraw/zinc/75/29/66/970752966.db2.gz NJFOUUDJBYJLGQ-QGZVFWFLSA-N 0 3 408.502 3.690 20 5 HHBDHN CN(C)CCN(Cc1ccccc1)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000426268025 974358654 /nfs/dbraw/zinc/35/86/54/974358654.db2.gz PCVDGZKNTLEQLG-UHFFFAOYSA-N 0 3 424.423 3.887 20 5 HHBDHN C[C@@H]1CN(CCC2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3Cl)CC2)C[C@H](C)O1 ZINC000427297930 975033670 /nfs/dbraw/zinc/03/36/70/975033670.db2.gz XZEHWAAEOJKOHZ-IYBDPMFKSA-N 0 3 423.941 3.529 20 5 HHBDHN C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)N(C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000428475150 975773422 /nfs/dbraw/zinc/77/34/22/975773422.db2.gz BMFYASWTLJUVSO-BHMZLHOFSA-N 0 3 415.515 3.841 20 5 HHBDHN Cc1ccc(NC(=O)N2CCC(CCN3C[C@H](C)O[C@@H](C)C3)CC2)cc1[N+](=O)[O-] ZINC000429217838 976511567 /nfs/dbraw/zinc/51/15/67/976511567.db2.gz UDLHZXIYXSNOAT-IRXDYDNUSA-N 0 3 404.511 3.646 20 5 HHBDHN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN[C@H]2Cc3cccc(O)c3C2)cc1OC ZINC000429295099 976574924 /nfs/dbraw/zinc/57/49/24/976574924.db2.gz AICBDKRFZJFNHD-YOEHRIQHSA-N 0 3 400.475 3.991 20 5 HHBDHN C[C@H](N[C@H]1Cc2cccc(O)c2C1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000429311212 976583583 /nfs/dbraw/zinc/58/35/83/976583583.db2.gz YJJGTPGTWABZSE-WFASDCNBSA-N 0 3 424.482 3.508 20 5 HHBDHN CCN1CCN(c2ccc(NC(=O)C(C)(C)c3ccccc3[N+](=O)[O-])c(C)c2)CC1 ZINC000430900006 977867195 /nfs/dbraw/zinc/86/71/95/977867195.db2.gz LLOLPIKJXGFXBP-UHFFFAOYSA-N 0 3 410.518 3.961 20 5 HHBDHN O=C(NC[C@@H]1CCCN1Cc1ccccc1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000430911937 977881134 /nfs/dbraw/zinc/88/11/34/977881134.db2.gz JLXMIDJUBNRNIU-INIZCTEOSA-N 0 3 418.291 3.752 20 5 HHBDHN NC(=O)c1ccc(CN2CC[C@H](Cc3ccc(Br)cc3)C2)c([N+](=O)[O-])c1 ZINC000433312624 979230338 /nfs/dbraw/zinc/23/03/38/979230338.db2.gz RNHPFVTXWMTGKM-CQSZACIVSA-N 0 3 418.291 3.521 20 5 HHBDHN Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000434310717 980070805 /nfs/dbraw/zinc/07/08/05/980070805.db2.gz CKCZAHUWVPWRQX-KRWDZBQOSA-N 0 3 411.487 3.861 20 5 HHBDHN C[C@@H]1C[C@H](NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CN1Cc1ccccc1 ZINC000437976350 982501638 /nfs/dbraw/zinc/50/16/38/982501638.db2.gz HSPYVUJOUNFONS-XLIONFOSSA-N 0 3 408.502 3.932 20 5 HHBDHN Cc1cccc(N2CCN(CCC(=O)N(Cc3ccccc3[N+](=O)[O-])C3CC3)CC2)c1 ZINC000438137981 982608251 /nfs/dbraw/zinc/60/82/51/982608251.db2.gz UCYPDZVOOSVGLE-UHFFFAOYSA-N 0 3 422.529 3.607 20 5 HHBDHN Cc1c(CC(=O)Nc2ccnn2[C@H]2CCN(Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000439286024 983345507 /nfs/dbraw/zinc/34/55/07/983345507.db2.gz KTQKBNSYJJRQPW-FQEVSTJZSA-N 0 3 419.485 3.728 20 5 HHBDHN O=C(NC[C@@]1(O)CCN(Cc2ccccc2)C1)c1cc2ccccc2c2cccnc12 ZINC000440518029 983783004 /nfs/dbraw/zinc/78/30/04/983783004.db2.gz IZGQWXRVDOHPNH-SANMLTNESA-N 0 3 411.505 3.755 20 5 HHBDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000462158038 985131650 /nfs/dbraw/zinc/13/16/50/985131650.db2.gz KCINCRDIJOEVDK-FZKQIMNGSA-N 0 3 418.291 3.608 20 5 HHBDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000462175461 985154386 /nfs/dbraw/zinc/15/43/86/985154386.db2.gz JWKGGXHFPQGHOR-CXAGYDPISA-N 0 3 407.392 3.864 20 5 HHBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000462777659 985713498 /nfs/dbraw/zinc/71/34/98/985713498.db2.gz NQZBCHGICMUVSK-MJGOQNOKSA-N 0 3 410.518 3.900 20 5 HHBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000462984598 985932904 /nfs/dbraw/zinc/93/29/04/985932904.db2.gz BUENKAYVGSNHBO-BBTUJRGHSA-N 0 3 417.550 3.511 20 5 HHBDHN O=C1[C@@H](NC/C=C\c2ccccc2[N+](=O)[O-])CCCN1Cc1ccc(F)cc1F ZINC000468995774 986701467 /nfs/dbraw/zinc/70/14/67/986701467.db2.gz MAKBLCVYJPWUFO-ORUDLHBZSA-N 0 3 401.413 3.667 20 5 HHBDHN Cc1cccc2nc(C3CCN(C[C@H](O)COc4cccc([N+](=O)[O-])c4)CC3)oc21 ZINC000444767739 986927943 /nfs/dbraw/zinc/92/79/43/986927943.db2.gz UKCIRXVMCGBJCX-SFHVURJKSA-N 0 3 411.458 3.664 20 5 HHBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@H](c2c(F)cccc2F)C1 ZINC000469455219 987141035 /nfs/dbraw/zinc/14/10/35/987141035.db2.gz SKDXZCZIJXKCKK-CYBMUJFWSA-N 0 3 405.401 3.700 20 5 HHBDHN COc1ccc(NC(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)cc1[N+](=O)[O-] ZINC000469935423 987560625 /nfs/dbraw/zinc/56/06/25/987560625.db2.gz MRBFJIDKYGEDKJ-UHFFFAOYSA-N 0 3 416.400 3.530 20 5 HHBDHN COc1ccc([N+](=O)[O-])c(Cc2noc(C3CCN(Cc4ccccc4)CC3)n2)c1 ZINC000445573360 987638591 /nfs/dbraw/zinc/63/85/91/987638591.db2.gz IKRMXRIVCHQTMQ-UHFFFAOYSA-N 0 3 408.458 3.957 20 5 HHBDHN COC(=O)[C@H]1CCN(Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)[C@@H]1C ZINC000470153348 988062788 /nfs/dbraw/zinc/06/27/88/988062788.db2.gz SDLYARNDJKSPGT-BEFAXECRSA-N 0 3 414.458 3.566 20 5 HHBDHN CN(C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000470675214 988699742 /nfs/dbraw/zinc/69/97/42/988699742.db2.gz YLMYBAMELMTAMM-FQEVSTJZSA-N 0 3 408.502 3.906 20 5 HHBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@H](C)c1cn(C(C)(C)C)nc1C ZINC000464601841 988784161 /nfs/dbraw/zinc/78/41/61/988784161.db2.gz MPGIGDLKBJIBRF-CYBMUJFWSA-N 0 3 403.483 3.543 20 5 HHBDHN COc1ccc(NC(=O)CCN[C@H](C)c2cn(C(C)(C)C)nc2C)c([N+](=O)[O-])c1 ZINC000464635911 988812281 /nfs/dbraw/zinc/81/22/81/988812281.db2.gz QEFHXUQLPJGKIX-CYBMUJFWSA-N 0 3 403.483 3.543 20 5 HHBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000470990517 989054227 /nfs/dbraw/zinc/05/42/27/989054227.db2.gz DOUPZOIBRUJTOX-KUHUBIRLSA-N 0 3 403.504 3.868 20 5 HHBDHN CCCN1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)c(OCC)c2)CC1 ZINC000471167043 989292128 /nfs/dbraw/zinc/29/21/28/989292128.db2.gz AZCUXGOJWBGSHG-UHFFFAOYSA-N 0 3 412.490 3.778 20 5 HHBDHN COCc1ccc([C@@H]2CCCN2CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)o1 ZINC000467127604 992444903 /nfs/dbraw/zinc/44/49/03/992444903.db2.gz VTZMBMNRAWOLFM-KRWDZBQOSA-N 0 3 403.435 3.509 20 5 HHBDHN C[C@H]1C[C@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)CN1Cc1ccccc1 ZINC000467232425 992554370 /nfs/dbraw/zinc/55/43/70/992554370.db2.gz XKABPWCHUOUKBO-YOEHRIQHSA-N 0 3 402.882 3.710 20 5 HHBDHN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)cc1 ZINC000467717540 992970542 /nfs/dbraw/zinc/97/05/42/992970542.db2.gz DBQHBPQSZFKYEX-VBKZILBWSA-N 0 3 411.458 3.608 20 5 HHBDHN CC[C@@H]1CN(C(C)=O)[C@@H](CC)CN1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000472330163 993339206 /nfs/dbraw/zinc/33/92/06/993339206.db2.gz UBWVZQCMJIATMM-MSOLQXFVSA-N 0 3 400.479 3.514 20 5 HHBDHN O=C(NC1CC(N2CCC(C(F)(F)F)CC2)C1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000473535604 994395592 /nfs/dbraw/zinc/39/55/92/994395592.db2.gz SWPINTQLGZSNJL-UHFFFAOYSA-N 0 3 410.396 3.611 20 5 HHBDHN COc1cc(CN[C@H]2CCCO[C@H]2CC(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000481759537 994612186 /nfs/dbraw/zinc/61/21/86/994612186.db2.gz GWXLBZGTCLBGDX-HOCLYGCPSA-N 0 3 402.438 3.931 20 5 HHBDHN COc1cc(CN[C@H]2CCN(c3ccc(Cl)cc3Cl)C2)c([N+](=O)[O-])cc1O ZINC000473993521 994982043 /nfs/dbraw/zinc/98/20/43/994982043.db2.gz IJTMZMGQJYVEON-ZDUSSCGKSA-N 0 3 412.273 3.984 20 5 HHBDHN CC(C)(C)c1nn(-c2ccccc2Cl)cc1CNCCn1cc([N+](=O)[O-])cn1 ZINC000482564513 995570229 /nfs/dbraw/zinc/57/02/29/995570229.db2.gz SRBYBSSFDWWPSR-UHFFFAOYSA-N 0 3 402.886 3.718 20 5 HHBDHN CCN1CCN(c2cccc(N[C@@H](C)CC(=O)Nc3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000475091731 995916781 /nfs/dbraw/zinc/91/67/81/995916781.db2.gz SMMHMFVOVLKURB-KRWDZBQOSA-N 0 3 411.506 3.566 20 5 HHBDHN COC(=O)COc1ccc(CN(C)[C@@H]2CCCc3cc(OC)ccc32)cc1[N+](=O)[O-] ZINC000475584792 996232147 /nfs/dbraw/zinc/23/21/47/996232147.db2.gz PKSXQEIVLPFPNT-LJQANCHMSA-N 0 3 414.458 3.665 20 5 HHBDHN CC(C)[C@@H](N[C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1)C(=O)N1CCOCC1 ZINC000484285809 996679274 /nfs/dbraw/zinc/67/92/74/996679274.db2.gz CJYJIJSIYVFQRV-MGPUTAFESA-N 0 3 417.531 3.857 20 5 HHBDHN Cc1c(NC(=O)CCN(C)[C@@H](C)c2ccc([S@](C)=O)cc2)cccc1[N+](=O)[O-] ZINC000477065686 997711590 /nfs/dbraw/zinc/71/15/90/997711590.db2.gz IKMXMUKYLGMHMH-HBIPHATFSA-N 0 3 403.504 3.662 20 5 HHBDHN Cc1cccc(CN(CCN(C)C)C(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)c1 ZINC000487649707 999241608 /nfs/dbraw/zinc/24/16/08/999241608.db2.gz QPMWSQBXHABIQF-KRWDZBQOSA-N 0 3 401.532 3.974 20 5 HHBDHN CCN1CCC[C@@H](CN(C)c2c3ccccc3ncc2[N+](=O)[O-])[C@@H]1c1cnn(C)c1 ZINC000487717472 999263795 /nfs/dbraw/zinc/26/37/95/999263795.db2.gz FUOIKOKXOGFLFX-HRAATJIYSA-N 0 3 408.506 3.786 20 5 HHBDHN CSc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(CN3CCC(O)CC3)c2)c1 ZINC000488674543 999567564 /nfs/dbraw/zinc/56/75/64/999567564.db2.gz JAXMHJOFOOPZDK-UHFFFAOYSA-N 0 3 401.488 3.526 20 5 HHBDHN O=C(CSc1ccccc1[N+](=O)[O-])Nc1ccc(CCN2CCSCC2)cc1 ZINC000489375317 999754302 /nfs/dbraw/zinc/75/43/02/999754302.db2.gz BCAZSSVJVASUSA-UHFFFAOYSA-N 0 3 417.556 3.917 20 5 HHBDHN COC(=O)c1ccc([N+](=O)[O-])c(NC2CC(N3CCC(C(F)(F)F)CC3)C2)c1 ZINC000480563251 999827620 /nfs/dbraw/zinc/82/76/20/999827620.db2.gz LJVQNAFIGNKFMV-UHFFFAOYSA-N 0 3 401.385 3.599 20 5 HHBDHN CC(C)Oc1ccc([C@H](CNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)N(C)C)cc1 ZINC000489946434 999867695 /nfs/dbraw/zinc/86/76/95/999867695.db2.gz LYILLCGUUHDFTP-FQEVSTJZSA-N 0 3 421.444 3.622 20 5 HHBDHN CN1CCN(c2cc(CN[C@H](c3ccccc3)c3cccc([N+](=O)[O-])c3)ccn2)CC1 ZINC000490134741 999898242 /nfs/dbraw/zinc/89/82/42/999898242.db2.gz CQZOTHKLGXWNOL-XMMPIXPASA-N 0 3 417.513 3.621 20 5 HHBDHN C[C@]1(CNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CCCN1Cc1ccccc1 ZINC000490519785 999971332 /nfs/dbraw/zinc/97/13/32/999971332.db2.gz IBFZTWSOXMJLRL-HSZRJFAPSA-N 0 3 419.485 3.565 20 5 HHBDHN C[C@]1(CNC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CCCN1Cc1ccccc1 ZINC000490529554 999973135 /nfs/dbraw/zinc/97/31/35/999973135.db2.gz YBPGZVPHCIQDFI-HSZRJFAPSA-N 0 3 419.485 3.565 20 5 HHBDHN COc1cc(CN(C[C@H](C)O)C2CCCCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000491069902 1000041981 /nfs/dbraw/zinc/04/19/81/1000041981.db2.gz YYTBAAQJYPRIIM-ZDUSSCGKSA-N 0 3 402.438 3.763 20 5 HHBDHN Cc1ccc([C@@H](C)NC(=O)N(CCN(C)C)Cc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000493034459 1000154768 /nfs/dbraw/zinc/15/47/68/1000154768.db2.gz RAHNTOVLYPAZSN-MRXNPFEDSA-N 0 3 402.470 3.877 20 5 HHBDHN Cc1ccc([C@@H](C)NC(=O)N(Cc2ccco2)C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000493107440 1000158038 /nfs/dbraw/zinc/15/80/38/1000158038.db2.gz RRPFYBDTZJUZPO-MRXNPFEDSA-N 0 3 400.479 3.863 20 5 HHBDHN COc1cc(CNCC[C@H]2COc3ccccc3O2)c([N+](=O)[O-])cc1OCC(F)F ZINC000493762303 1000190757 /nfs/dbraw/zinc/19/07/57/1000190757.db2.gz GKZFXZSTIGDRBU-AWEZNQCLSA-N 0 3 424.400 3.567 20 5 HHBDHN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000494176133 1000343432 /nfs/dbraw/zinc/34/34/32/1000343432.db2.gz NLBVIEWOZQRHJF-KRWDZBQOSA-N 0 3 422.407 3.687 20 5 HHBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@@H](Cc1ccccc1)C(=O)N(C)C ZINC000504920692 1000448996 /nfs/dbraw/zinc/44/89/96/1000448996.db2.gz PNXSCUSZRCBPDO-MSOLQXFVSA-N 0 3 401.532 3.755 20 5 HHBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@H](Cc1ccccc1)C(=O)N(C)C ZINC000504920693 1000449465 /nfs/dbraw/zinc/44/94/65/1000449465.db2.gz PNXSCUSZRCBPDO-QZTJIDSGSA-N 0 3 401.532 3.755 20 5 HHBDHN COc1cc(CNCCc2sc(C)nc2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000494680887 1000601505 /nfs/dbraw/zinc/60/15/05/1000601505.db2.gz PKXFDQGKFJSPOB-UHFFFAOYSA-N 0 3 401.435 3.653 20 5 HHBDHN C[C@@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1)[C@@H](c1ccccc1)N(C)C ZINC000505573268 1000913561 /nfs/dbraw/zinc/91/35/61/1000913561.db2.gz AZYDATLKKNOWIG-PXAZEXFGSA-N 0 3 406.280 3.779 20 5 HHBDHN C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)[C@@H](c1ccccc1)N(C)C ZINC000505581224 1000919193 /nfs/dbraw/zinc/91/91/93/1000919193.db2.gz LOXBBSGIACEYPC-YJYMSZOUSA-N 0 3 420.307 3.707 20 5 HHBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000505583958 1000920356 /nfs/dbraw/zinc/92/03/56/1000920356.db2.gz BSDUSDVRFIOTHD-GOSISDBHSA-N 0 3 403.429 3.711 20 5 HHBDHN COc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)cc1SC ZINC000505639453 1000949207 /nfs/dbraw/zinc/94/92/07/1000949207.db2.gz YUHUDMMHDZBMRS-ORAYPTAESA-N 0 3 403.504 3.747 20 5 HHBDHN Cn1cc(CN2CCC[C@@H](C(=O)Nc3ccccc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000506282487 1001327048 /nfs/dbraw/zinc/32/70/48/1001327048.db2.gz SBTDYAQNVJJFTK-GOSISDBHSA-N 0 3 419.485 3.846 20 5 HHBDHN COc1ccccc1[C@H](CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)N1CCCC1 ZINC000506817616 1001547262 /nfs/dbraw/zinc/54/72/62/1001547262.db2.gz VGSFRLCLWSMNQZ-FQEVSTJZSA-N 0 3 410.474 3.737 20 5 HHBDHN COc1cccc([C@H](CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)N2CCCC2)c1 ZINC000506857820 1001568410 /nfs/dbraw/zinc/56/84/10/1001568410.db2.gz QOJUWMNUSIABHB-NRFANRHFSA-N 0 3 410.474 3.737 20 5 HHBDHN COc1cc(CN2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000498929347 1002327658 /nfs/dbraw/zinc/32/76/58/1002327658.db2.gz OCUSMZREVDQAAL-GFCCVEGCSA-N 0 3 423.420 3.580 20 5 HHBDHN COc1cc(CN2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000498929347 1002327667 /nfs/dbraw/zinc/32/76/67/1002327667.db2.gz OCUSMZREVDQAAL-GFCCVEGCSA-N 0 3 423.420 3.580 20 5 HHBDHN Cc1c(Br)cc(C(=O)NC[C@@H](c2ccccc2)N(C)C)cc1[N+](=O)[O-] ZINC000508396904 1002887084 /nfs/dbraw/zinc/88/70/84/1002887084.db2.gz YKYDBQPVXQSUPX-KRWDZBQOSA-N 0 3 406.280 3.698 20 5 HHBDHN COc1cc(CN(C)CCc2cnccn2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000508640472 1003089824 /nfs/dbraw/zinc/08/98/24/1003089824.db2.gz POFRFDLRFXFYFY-UHFFFAOYSA-N 0 3 408.458 3.647 20 5 HHBDHN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000509005951 1003477761 /nfs/dbraw/zinc/47/77/61/1003477761.db2.gz VYOBOWQJEPBTNK-HOTGVXAUSA-N 0 3 409.552 3.716 20 5 HHBDHN COc1ccc([C@H](CN2CCCC2)NC(=O)c2ccc(SC)c([N+](=O)[O-])c2)cc1 ZINC000500389005 1003684246 /nfs/dbraw/zinc/68/42/46/1003684246.db2.gz XKDKBAHZCBGLDK-SFHVURJKSA-N 0 3 415.515 3.892 20 5 HHBDHN CCN1CCC[C@@H](CN(C)c2ccc3cc([N+](=O)[O-])ccc3n2)[C@@H]1c1cnn(C)c1 ZINC000509601531 1003972408 /nfs/dbraw/zinc/97/24/08/1003972408.db2.gz LYIFAHQTJPWBCF-HTAPYJJXSA-N 0 3 408.506 3.786 20 5 HHBDHN CCOc1cccc(N(C)C[C@@H]2CCCN(CC)[C@H]2c2cnn(C)c2)c1[N+](=O)[O-] ZINC000509604091 1003974162 /nfs/dbraw/zinc/97/41/62/1003974162.db2.gz UIAKUDIXDOTJHF-OXJNMPFZSA-N 0 3 401.511 3.636 20 5 HHBDHN CC[C@H](C)N[C@H](CNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ccco1 ZINC000501215438 1004285762 /nfs/dbraw/zinc/28/57/62/1004285762.db2.gz YZLMHLUJRIPBPX-XJKSGUPXSA-N 0 3 408.886 3.812 20 5 HHBDHN O=[N+]([O-])c1ccc(-c2ccc(CNC[C@H](N3CCOCC3)C(F)(F)F)s2)cc1 ZINC000512977336 1004740857 /nfs/dbraw/zinc/74/08/57/1004740857.db2.gz KDRDORVMZATKRQ-KRWDZBQOSA-N 0 3 415.437 3.676 20 5 HHBDHN COc1ccc(-c2ccc(CNCCn3cc(Br)cn3)o2)c([N+](=O)[O-])c1 ZINC000512978252 1004741552 /nfs/dbraw/zinc/74/15/52/1004741552.db2.gz ZVOGGVKHWXOFKQ-UHFFFAOYSA-N 0 3 421.251 3.612 20 5 HHBDHN O=C(NC[C@@H]1CCCN1Cc1ccccc1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000513216827 1004866296 /nfs/dbraw/zinc/86/62/96/1004866296.db2.gz HIQQVZUXGTUDSN-NRFANRHFSA-N 0 3 422.529 3.592 20 5 HHBDHN O=C(NCCCN1CCc2ccccc2C1)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000510839672 1004884882 /nfs/dbraw/zinc/88/48/82/1004884882.db2.gz WLPLYKCKRFLNHW-UHFFFAOYSA-N 0 3 420.416 3.766 20 5 HHBDHN C[C@@H](Nc1ccc(C(=O)NCCN2CCC[C@H](C)C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000511137666 1005039620 /nfs/dbraw/zinc/03/96/20/1005039620.db2.gz CLFISMLUDSTYCB-DLBZAZTESA-N 0 3 411.506 3.625 20 5 HHBDHN CCN(CC)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])n1C)c1ccc(C(F)(F)F)cc1 ZINC000502528420 1005104282 /nfs/dbraw/zinc/10/42/82/1005104282.db2.gz BRDWWSRJZBEWJM-INIZCTEOSA-N 0 3 412.412 3.765 20 5 HHBDHN O=[N+]([O-])c1ccc(-c2noc(CN3C[C@H](c4ccccc4)[C@H]4COCC[C@@H]43)n2)cc1 ZINC000511780637 1005323708 /nfs/dbraw/zinc/32/37/08/1005323708.db2.gz ITOSCMLXBIDQRD-AQNXPRMDSA-N 0 3 406.442 3.649 20 5 HHBDHN Cc1cccc(N2CCN(CCCCNC(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000503204581 1005368019 /nfs/dbraw/zinc/36/80/19/1005368019.db2.gz KZUWTDPZDNCZMT-UHFFFAOYSA-N 0 3 411.506 3.627 20 5 HHBDHN CC(C)N1CCN(c2cccc(NC(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)c2)CC1 ZINC000504207017 1005573313 /nfs/dbraw/zinc/57/33/13/1005573313.db2.gz DIFDLIHTZTVQGB-UHFFFAOYSA-N 0 3 407.474 3.859 20 5 HHBDHN O=[N+]([O-])c1ccc(-c2ccc(CNC[C@@]3(O)CCSC3)o2)c(Br)c1 ZINC000531107929 1005997927 /nfs/dbraw/zinc/99/79/27/1005997927.db2.gz QNAAMZNEBJVKHO-INIZCTEOSA-N 0 3 413.293 3.575 20 5 HHBDHN COc1cc(C[NH2+]C[C@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)c([N+](=O)[O-])cc1[O-] ZINC000534239804 1006245545 /nfs/dbraw/zinc/24/55/45/1006245545.db2.gz GMBZOLYLUSMDDK-XCLFUZPHSA-N 0 3 423.872 3.884 20 5 HHBDHN Cc1c(NC(=O)[C@H](C)N[C@@H]2CCN(C)[C@H]2c2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000515021058 1006254905 /nfs/dbraw/zinc/25/49/05/1006254905.db2.gz VNOOFLVRBQHQCJ-QMIHWGKISA-N 0 3 416.909 3.919 20 5 HHBDHN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCCN(CC2CCCCC2)CC1 ZINC000515513233 1006507333 /nfs/dbraw/zinc/50/73/33/1006507333.db2.gz APHIVLVSVZWHDR-UHFFFAOYSA-N 0 3 415.943 3.525 20 5 HHBDHN Cc1ccc([C@@H](CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)N2CCCC2)cc1 ZINC000534626745 1006608630 /nfs/dbraw/zinc/60/86/30/1006608630.db2.gz JEODSUKUSXUZGF-JOCHJYFZSA-N 0 3 406.486 3.880 20 5 HHBDHN COc1ccc(NC(=O)CN[C@H](COc2ccccc2F)C(C)(C)C)c([N+](=O)[O-])c1 ZINC000538392057 1006661778 /nfs/dbraw/zinc/66/17/78/1006661778.db2.gz IRZKJMKNFOZZDE-LJQANCHMSA-N 0 3 419.453 3.764 20 5 HHBDHN COc1ccc([C@@H](CNC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)N2CCCC2)cc1 ZINC000515841541 1006712369 /nfs/dbraw/zinc/71/23/69/1006712369.db2.gz AMCJBRVKARMVTK-IIBYNOLFSA-N 0 3 412.490 3.801 20 5 HHBDHN C[C@H]1C[C@@H](CCNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CN1Cc1ccccc1 ZINC000538764634 1007049537 /nfs/dbraw/zinc/04/95/37/1007049537.db2.gz RAJXZSLKTDHFSJ-GOEBONIOSA-N 0 3 423.560 3.772 20 5 HHBDHN Cc1ccc2c(c1)[nH]cc2C1=CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000532655571 1007073269 /nfs/dbraw/zinc/07/32/69/1007073269.db2.gz YVVOMHSTQCFFII-LJQANCHMSA-N 0 3 407.470 3.914 20 5 HHBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(CCN(C)C)Cc1ccccc1F ZINC000516767460 1007281128 /nfs/dbraw/zinc/28/11/28/1007281128.db2.gz QFMCEUJZXQJDAH-OAHLLOKOSA-N 0 3 405.495 3.805 20 5 HHBDHN CC(C)c1n[n-]c(C(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000533223661 1007547885 /nfs/dbraw/zinc/54/78/85/1007547885.db2.gz PCTYCNYEGNLUER-OAHLLOKOSA-N 0 3 405.886 3.662 20 5 HHBDHN Cc1cccc(C)c1OC[C@@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1ccccc1 ZINC000539325929 1007624966 /nfs/dbraw/zinc/62/49/66/1007624966.db2.gz SBPQMTLNCYDDNY-OAQYLSRUSA-N 0 3 407.470 3.783 20 5 HHBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN2CCN(CCCn3ccnc3)CC2)s1 ZINC000539362816 1007665404 /nfs/dbraw/zinc/66/54/04/1007665404.db2.gz CAGDCVUDBJUJRY-UHFFFAOYSA-N 0 3 411.531 3.728 20 5 HHBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCSC[C@H]1c1ccccc1 ZINC000533435186 1007748500 /nfs/dbraw/zinc/74/85/00/1007748500.db2.gz LZNZBPQPBBBXNK-SFHVURJKSA-N 0 3 401.488 3.722 20 5 HHBDHN CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000517601962 1007805086 /nfs/dbraw/zinc/80/50/86/1007805086.db2.gz MVZZRTHWUZJZEA-LJQANCHMSA-N 0 3 414.531 3.595 20 5 HHBDHN Cc1ccc(NC(=O)NC[C@H]2CCCN(CCOc3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000533502107 1007812927 /nfs/dbraw/zinc/81/29/27/1007812927.db2.gz USUCDVFCINPXAO-GOSISDBHSA-N 0 3 412.490 3.816 20 5 HHBDHN O=C(NC[C@@H]1CCCN(CCOc2cccc([N+](=O)[O-])c2)C1)Nc1cccc(F)c1 ZINC000533508022 1007823969 /nfs/dbraw/zinc/82/39/69/1007823969.db2.gz NUQHPWMZCXENLH-INIZCTEOSA-N 0 3 416.453 3.646 20 5 HHBDHN COc1ccc([C@@H](CN2CCCC2)NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)cc1 ZINC000536095495 1008118293 /nfs/dbraw/zinc/11/82/93/1008118293.db2.gz MWYOUVQEGBMERI-OAQYLSRUSA-N 0 3 424.501 3.745 20 5 HHBDHN Cc1cc(CN(C)C)cc(NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000533970248 1008240723 /nfs/dbraw/zinc/24/07/23/1008240723.db2.gz CPNPOWPYIMXQLC-OAQYLSRUSA-N 0 3 424.501 3.517 20 5 HHBDHN COc1ccc([C@@H](CNC(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)N2CCCC2)cc1 ZINC000542961895 1008534862 /nfs/dbraw/zinc/53/48/62/1008534862.db2.gz MPJBMGYWPNIGTJ-LJQANCHMSA-N 0 3 414.462 3.571 20 5 HHBDHN COc1ccc(NC(=O)N(CCCc2ccccc2)CCN(C)C)cc1[N+](=O)[O-] ZINC000542964621 1008537244 /nfs/dbraw/zinc/53/72/44/1008537244.db2.gz KIRFMORRERSWMA-UHFFFAOYSA-N 0 3 400.479 3.632 20 5 HHBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCN(C)[C@H]2c2cccs2)c1 ZINC000549301207 1008876434 /nfs/dbraw/zinc/87/64/34/1008876434.db2.gz UDBVFJQVHJZBMX-AUUYWEPGSA-N 0 3 403.504 3.868 20 5 HHBDHN O=[N+]([O-])c1ccc(-c2ccc(CNCc3ccnc(N4CCOCC4)c3)s2)cc1 ZINC000549560329 1009178139 /nfs/dbraw/zinc/17/81/39/1009178139.db2.gz JUVWVWABJMSDAJ-UHFFFAOYSA-N 0 3 410.499 3.845 20 5 HHBDHN CCN(C(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000546183375 1009213153 /nfs/dbraw/zinc/21/31/53/1009213153.db2.gz CVFMILBUWINMGU-LJQANCHMSA-N 0 3 401.894 3.914 20 5 HHBDHN O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCCN(CCCc2ccccc2)CC1 ZINC000543691896 1009301368 /nfs/dbraw/zinc/30/13/68/1009301368.db2.gz MRELOYDRKPXEQG-UHFFFAOYSA-N 0 3 400.454 3.906 20 5 HHBDHN CCN(C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000546889106 1009848764 /nfs/dbraw/zinc/84/87/64/1009848764.db2.gz PPDZFFBZJYPTDS-KRWDZBQOSA-N 0 3 419.428 3.933 20 5 HHBDHN CC(C)c1ccc([C@@H](NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)c2cccs2)cc1 ZINC000520953819 1010003483 /nfs/dbraw/zinc/00/34/83/1010003483.db2.gz OPHZDDNGEBOPSV-AZUAARDMSA-N 0 3 400.504 3.716 20 5 HHBDHN CC(C)c1ccc([C@H](NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)c2cccs2)cc1 ZINC000520953822 1010003920 /nfs/dbraw/zinc/00/39/20/1010003920.db2.gz OPHZDDNGEBOPSV-ICSRJNTNSA-N 0 3 400.504 3.716 20 5 HHBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000550649955 1010082585 /nfs/dbraw/zinc/08/25/85/1010082585.db2.gz LCQWNSRMFKCTHH-QGZVFWFLSA-N 0 3 406.280 3.698 20 5 HHBDHN C[C@H](NC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000521068907 1010086653 /nfs/dbraw/zinc/08/66/53/1010086653.db2.gz QSWXKBZZLZJNIG-AWEZNQCLSA-N 0 3 406.433 3.707 20 5 HHBDHN CCN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000544894357 1010471378 /nfs/dbraw/zinc/47/13/78/1010471378.db2.gz PZINXFJWCBKPIE-FQEVSTJZSA-N 0 3 407.474 3.741 20 5 HHBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC000545251415 1010704605 /nfs/dbraw/zinc/70/46/05/1010704605.db2.gz XTZOLPRSTQLGKB-UHFFFAOYSA-N 0 3 412.490 3.776 20 5 HHBDHN CC(=O)N1CC[C@@H](NCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000540628559 1011277035 /nfs/dbraw/zinc/27/70/35/1011277035.db2.gz RBOLOBZULUMZLG-HXUWFJFHSA-N 0 3 405.458 3.583 20 5 HHBDHN CN1CC[C@@H](NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000536261298 1011426331 /nfs/dbraw/zinc/42/63/31/1011426331.db2.gz BHBRQCSZVWTBPQ-OXQOHEQNSA-N 0 3 403.866 3.579 20 5 HHBDHN COc1cccc([C@@H](CNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)N2CCCC2)c1 ZINC000536507728 1011709335 /nfs/dbraw/zinc/70/93/35/1011709335.db2.gz RCVRXJRYDXQNEL-HXUWFJFHSA-N 0 3 408.458 3.652 20 5 HHBDHN COc1cc(CN2CC[C@H](C3CCOCC3)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000536697160 1011864980 /nfs/dbraw/zinc/86/49/80/1011864980.db2.gz MAXHBPJWTGRLDS-AWEZNQCLSA-N 0 3 418.412 3.793 20 5 HHBDHN O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1Br ZINC000523486151 1012002318 /nfs/dbraw/zinc/00/23/18/1012002318.db2.gz YAQGKGKKWUKDTA-UHFFFAOYSA-N 0 3 418.291 3.752 20 5 HHBDHN Cc1ccc([C@@H](C)NC[C@H](O)COc2ccccc2Br)cc1[N+](=O)[O-] ZINC000536848780 1012079084 /nfs/dbraw/zinc/07/90/84/1012079084.db2.gz ZXCZDIFQOMWHEX-HIFRSBDPSA-N 0 3 409.280 3.756 20 5 HHBDHN CC(C)(C(=O)NCCCCN1CCN(c2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000523546965 1012080964 /nfs/dbraw/zinc/08/09/64/1012080964.db2.gz RCWPCBZMHQBGSW-UHFFFAOYSA-N 0 3 424.545 3.591 20 5 HHBDHN O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCN(c2ccnc3ccccc32)CC1 ZINC000552148467 1012170165 /nfs/dbraw/zinc/17/01/65/1012170165.db2.gz JODLPUPXPGVXOH-UHFFFAOYSA-N 0 3 417.469 3.680 20 5 HHBDHN CC1CCC(N2CCN(C(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)CC2)CC1 ZINC000523720400 1012331242 /nfs/dbraw/zinc/33/12/42/1012331242.db2.gz DNWITXNKBVYEHN-UHFFFAOYSA-N 0 3 414.550 3.534 20 5 HHBDHN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)NCCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000541602911 1012400534 /nfs/dbraw/zinc/40/05/34/1012400534.db2.gz ZVIDKQVILCTAKD-LLVKDONJSA-N 0 3 413.400 3.650 20 5 HHBDHN C[C@H](C(=O)N1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000541798031 1012675312 /nfs/dbraw/zinc/67/53/12/1012675312.db2.gz XPQMDOUHCVEODZ-ZACQAIPSSA-N 0 3 421.513 3.575 20 5 HHBDHN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N[C@H](CN1CCCC1)c1ccccc1 ZINC000523979377 1012727236 /nfs/dbraw/zinc/72/72/36/1012727236.db2.gz HHYFMKGNMOARTP-GOSISDBHSA-N 0 3 417.893 3.970 20 5 HHBDHN Cc1cc(S(=O)(=O)N(C)[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000524122231 1012899903 /nfs/dbraw/zinc/89/99/03/1012899903.db2.gz JPNUPPQPHZIYIT-MJGOQNOKSA-N 0 3 417.531 3.577 20 5 HHBDHN CN(C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CCN(CCc2ccccn2)CC1 ZINC000729875951 1072635663 /nfs/dbraw/zinc/63/56/63/1072635663.db2.gz GSZHRMFCGDNNHO-UHFFFAOYSA-N 0 3 417.897 3.814 20 5 HHBDHN Cc1c(NC(=O)[C@H](C)N[C@@H]2CCN(C)[C@H]2c2ccc(F)c(F)c2)cccc1[N+](=O)[O-] ZINC000571811676 1072861850 /nfs/dbraw/zinc/86/18/50/1072861850.db2.gz YUFYJKKXCDZGMZ-VIZZQPHQSA-N 0 3 418.444 3.543 20 5 HHBDHN CN1C[C@H]2CCN(C(=O)c3ccc(Oc4ccc(Cl)cc4[N+](=O)[O-])cc3)[C@@H]2C1 ZINC000590442071 1073836082 /nfs/dbraw/zinc/83/60/82/1073836082.db2.gz GCQVZAZNXFEEHS-RDTXWAMCSA-N 0 3 401.850 3.817 20 5 HHBDHN C[C@@H]1[C@H](NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CCN1Cc1ccccc1 ZINC000574665915 1075300833 /nfs/dbraw/zinc/30/08/33/1075300833.db2.gz OQEYWPNVINBYJN-DYESRHJHSA-N 0 3 408.502 3.932 20 5 HHBDHN C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)Nc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl ZINC000301228342 970820604 /nfs/dbraw/zinc/82/06/04/970820604.db2.gz HXTPQACVQUSWSG-KFWWJZLASA-N 0 3 419.913 3.572 20 5 HHBDHN CC[NH+](CC)CCNc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC000301317492 970864511 /nfs/dbraw/zinc/86/45/11/970864511.db2.gz ZDXHWSRCWRCEAA-UHFFFAOYSA-N 0 3 420.535 3.766 20 5 HHBDHN CN(C)[C@@H](CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000302215135 971209630 /nfs/dbraw/zinc/20/96/30/971209630.db2.gz HHGHWSBCJRONAS-KRWDZBQOSA-N 0 3 421.379 3.977 20 5 HHBDHN CC(C)CN(CCN(C)C)C(=O)c1ccc(N2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000303175979 971543684 /nfs/dbraw/zinc/54/36/84/971543684.db2.gz CDVPNLVFXVHKJQ-ROUUACIJSA-N 0 3 404.555 3.737 20 5 HHBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000303789846 972028909 /nfs/dbraw/zinc/02/89/09/972028909.db2.gz JSWVROOIXYNSGV-QFBILLFUSA-N 0 3 417.531 3.577 20 5 HHBDHN CC[C@](C)(COc1ncccc1Cl)NCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000537681368 1013241778 /nfs/dbraw/zinc/24/17/78/1013241778.db2.gz BKTPOJKKUMJMQG-LJQANCHMSA-N 0 3 406.870 3.727 20 5 HHBDHN CN1CCN(Cc2ccc(CNc3ccc([N+](=O)[O-])c(OC(F)F)c3)cc2)CC1 ZINC000537790059 1013350721 /nfs/dbraw/zinc/35/07/21/1013350721.db2.gz XNCHYZLJTWYQKY-UHFFFAOYSA-N 0 3 406.433 3.556 20 5 HHBDHN CCc1ccc([C@@H](NC[C@@H](C(C)C)N2CCN(C)CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000542481717 1013430104 /nfs/dbraw/zinc/43/01/04/1013430104.db2.gz APVWJVRRXQSELL-GMAHTHKFSA-N 0 3 414.550 3.701 20 5 HHBDHN COc1ccc(NC(=O)CCN2CCC(C(=O)c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000025056758 964156910 /nfs/dbraw/zinc/15/69/10/964156910.db2.gz YRFHARWFCFIOIL-UHFFFAOYSA-N 0 3 411.458 3.527 20 5 HHBDHN CC[C@H](N[C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[C@@H]1CCCO1 ZINC000542562098 1013504390 /nfs/dbraw/zinc/50/43/90/1013504390.db2.gz GJVNULAJNCNONE-PVUWLOKVSA-N 0 3 404.492 3.593 20 5 HHBDHN CCOc1cccc2cc([C@H](C)NC[C@@H](O)COc3ccccc3[N+](=O)[O-])oc21 ZINC000542586790 1013526867 /nfs/dbraw/zinc/52/68/67/1013526867.db2.gz HNNKEPWASFVDBC-GOEBONIOSA-N 0 3 400.431 3.830 20 5 HHBDHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000537952806 1013533860 /nfs/dbraw/zinc/53/38/60/1013533860.db2.gz UBUPFXWBGDYLLJ-YVEFUNNKSA-N 0 3 411.380 3.654 20 5 HHBDHN CCOc1cc(C(=O)N[C@H]2CCN([C@@H](C)c3ccccc3)C2)c([N+](=O)[O-])cc1OC ZINC000054225080 965434496 /nfs/dbraw/zinc/43/44/96/965434496.db2.gz TUUDPZACNUHJLR-RDJZCZTQSA-N 0 3 413.474 3.567 20 5 HHBDHN O=C(c1ccccc1)N1CCC(NCc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000538012361 1013584506 /nfs/dbraw/zinc/58/45/06/1013584506.db2.gz CJQVUJZFYPXECX-UHFFFAOYSA-N 0 3 405.401 3.591 20 5 HHBDHN CN(C)[C@H](CNc1ccc(I)cc1[N+](=O)[O-])c1cccs1 ZINC000058194210 965654379 /nfs/dbraw/zinc/65/43/79/965654379.db2.gz DMDRHEBUQWXJAK-CYBMUJFWSA-N 0 3 417.272 3.976 20 5 HHBDHN CC(C)[C@@H](CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCc2ccccc2C1 ZINC000058857398 965930250 /nfs/dbraw/zinc/93/02/50/965930250.db2.gz BKDRXGABKVASAN-OAQYLSRUSA-N 0 3 406.486 3.889 20 5 HHBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCc2ccccc2CN2CCCCC2)cc1C ZINC000060498067 966174156 /nfs/dbraw/zinc/17/41/56/966174156.db2.gz FSFUIPONLVJMJS-UHFFFAOYSA-N 0 3 417.531 3.676 20 5 HHBDHN CN(C)CCN(Cc1ccc(F)cc1F)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000065937521 968726930 /nfs/dbraw/zinc/72/69/30/968726930.db2.gz JPVJTVPNECJXFX-UHFFFAOYSA-N 0 3 402.401 3.558 20 5 HHBDHN Cc1csc(Sc2ccc(C(=O)N(C)C3CCN(C)CC3)cc2[N+](=O)[O-])n1 ZINC000215896315 970056303 /nfs/dbraw/zinc/05/63/03/970056303.db2.gz ODUNGPUKFUCHJG-UHFFFAOYSA-N 0 3 406.533 3.677 20 5 HHBDHN CC(C)NC(=O)[C@H]1CCC[C@@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000236688170 970156070 /nfs/dbraw/zinc/15/60/70/970156070.db2.gz BIGNJOPOKVHMTR-GOEBONIOSA-N 0 3 402.520 3.891 20 5 HHBDHN CN1CCN(c2ccc(CNCc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)cn2)CC1 ZINC000237109411 970223956 /nfs/dbraw/zinc/22/39/56/970223956.db2.gz CWZNJLZYIKCFDC-UHFFFAOYSA-N 0 3 423.542 3.760 20 5 HHBDHN CN1CCN(c2ccc(C(F)(F)F)cc2CNCc2cccc([N+](=O)[O-])c2)CC1 ZINC000237234058 970246341 /nfs/dbraw/zinc/24/63/41/970246341.db2.gz FIJSJVKEUSTLIN-UHFFFAOYSA-N 0 3 408.424 3.655 20 5 HHBDHN COc1ccc(-c2ccc(CNCCc3nnc4n3CCCCC4)o2)c([N+](=O)[O-])c1 ZINC000237416311 970281212 /nfs/dbraw/zinc/28/12/12/970281212.db2.gz OINLHXCFZNHJOW-UHFFFAOYSA-N 0 3 411.462 3.514 20 5 HHBDHN C[C@@H]1CN(C(C)(C)CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@H](C)O1 ZINC000237599369 970319964 /nfs/dbraw/zinc/31/99/64/970319964.db2.gz ZODHCGNTAQJZIC-GASCZTMLSA-N 0 3 404.536 3.696 20 5 HHBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3ccc(OCc4ccncc4)cc3)C2)nc1 ZINC000237998730 970414200 /nfs/dbraw/zinc/41/42/00/970414200.db2.gz YCNZSEFWFBQVFO-LJQANCHMSA-N 0 3 405.458 3.650 20 5 HHBDHN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)cc1OC ZINC000250382185 970535014 /nfs/dbraw/zinc/53/50/14/970535014.db2.gz IJHALIPRQWCACJ-NVXWUHKLSA-N 0 3 413.474 3.567 20 5 HHBDHN CC(C)Oc1ccc([C@H](CNc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])N(C)C)cc1 ZINC000554686049 1014012637 /nfs/dbraw/zinc/01/26/37/1014012637.db2.gz VRGDEVVKCKZPHM-FQEVSTJZSA-N 0 3 411.462 3.746 20 5 HHBDHN Cc1c(Br)cc(C(=O)NCc2ccccc2CN(C)C)cc1[N+](=O)[O-] ZINC000409592108 973040438 /nfs/dbraw/zinc/04/04/38/973040438.db2.gz SRHLXUQDWKSGSE-UHFFFAOYSA-N 0 3 406.280 3.657 20 5 HHBDHN CN1CC[C@H](NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)[C@H]1c1ccccc1 ZINC000425980867 974091036 /nfs/dbraw/zinc/09/10/36/974091036.db2.gz PGMXQKZNHHJAJE-ZWKOTPCHSA-N 0 3 422.407 3.858 20 5 HHBDHN C[C@@H]1CN(CCC2CCN(C(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)CC2)C[C@H](C)O1 ZINC000426653332 974584399 /nfs/dbraw/zinc/58/43/99/974584399.db2.gz AOXQBHYECKTGAE-HDICACEKSA-N 0 3 417.550 3.610 20 5 HHBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNC[C@H]2CN(Cc3ccccc3)CCCO2)c1 ZINC000428541220 975843575 /nfs/dbraw/zinc/84/35/75/975843575.db2.gz BMJSZGWMZVWSCL-IBGZPJMESA-N 0 3 421.444 3.577 20 5 HHBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNC[C@@H]2CN(Cc3ccccc3)CCCO2)c1 ZINC000428541221 975843814 /nfs/dbraw/zinc/84/38/14/975843814.db2.gz BMJSZGWMZVWSCL-LJQANCHMSA-N 0 3 421.444 3.577 20 5 HHBDHN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])Nc1cccc(CN2CC[C@H](O)C2)c1 ZINC000428552338 975863078 /nfs/dbraw/zinc/86/30/78/975863078.db2.gz MCQNKSVPJHGMAO-INIZCTEOSA-N 0 3 421.906 3.546 20 5 HHBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000429332409 976597332 /nfs/dbraw/zinc/59/73/32/976597332.db2.gz MDGSZKNPEFHKAE-GOSISDBHSA-N 0 3 417.893 3.578 20 5 HHBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000429752565 977045157 /nfs/dbraw/zinc/04/51/57/977045157.db2.gz UGRDCDNPDJLFIC-IBGZPJMESA-N 0 3 412.490 3.624 20 5 HHBDHN CN(C)CCN(Cc1ccccc1F)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431788006 978513740 /nfs/dbraw/zinc/51/37/40/978513740.db2.gz JJTHXULPQWVTLW-UHFFFAOYSA-N 0 3 424.270 3.700 20 5 HHBDHN C[C@@H]1COCC[C@@H]1N[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000432229631 978723373 /nfs/dbraw/zinc/72/33/73/978723373.db2.gz SMMSGJLFACLKJG-FMEYXAORSA-N 0 3 403.866 3.943 20 5 HHBDHN O=[N+]([O-])c1cccc(Cl)c1N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000432341851 978768051 /nfs/dbraw/zinc/76/80/51/978768051.db2.gz ZUMDMCBATSDFBD-QGZVFWFLSA-N 0 3 415.925 3.682 20 5 HHBDHN Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000434319665 980082938 /nfs/dbraw/zinc/08/29/38/980082938.db2.gz YSJHOMKYFPRAOQ-IBGZPJMESA-N 0 3 423.448 3.938 20 5 HHBDHN CN1CCC(N(Cc2ccco2)C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000437195970 981853037 /nfs/dbraw/zinc/85/30/37/981853037.db2.gz UANJOFIQZAXXPO-UHFFFAOYSA-N 0 3 411.380 3.943 20 5 HHBDHN C[C@H]1C[C@H](NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CN1Cc1ccccc1 ZINC000437976349 982501689 /nfs/dbraw/zinc/50/16/89/982501689.db2.gz HSPYVUJOUNFONS-PXNSSMCTSA-N 0 3 408.502 3.932 20 5 HHBDHN CC(C)C1CCC(N2CCN([C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000438554904 982896088 /nfs/dbraw/zinc/89/60/88/982896088.db2.gz QSLWCCOFZOBIFV-ZJRDLVKKSA-N 0 3 402.539 3.754 20 5 HHBDHN CCN(C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000438657180 982974665 /nfs/dbraw/zinc/97/46/65/982974665.db2.gz UBDRPSAQHLGQQG-FXAWDEMLSA-N 0 3 424.501 3.526 20 5 HHBDHN C[C@@H](NCc1ccccc1CN(C)Cc1ccco1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000439596284 983465304 /nfs/dbraw/zinc/46/53/04/983465304.db2.gz NVGYRVBETGHVIR-QGZVFWFLSA-N 0 3 422.485 3.937 20 5 HHBDHN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)cc1 ZINC000440910969 983967769 /nfs/dbraw/zinc/96/77/69/983967769.db2.gz FOTZJDLDQDXAFX-HUUCEWRRSA-N 0 3 411.458 3.751 20 5 HHBDHN Cc1csc(Sc2ccc(C(=O)N[C@H]3C[C@@H](C)N(C4CC4)C3)cc2[N+](=O)[O-])n1 ZINC000440912691 983968733 /nfs/dbraw/zinc/96/87/33/983968733.db2.gz JIHWBBCGEKBDCU-OCCSQVGLSA-N 0 3 418.544 3.866 20 5 HHBDHN CN(C)CCN(C)C(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 ZINC000443229652 985453635 /nfs/dbraw/zinc/45/36/35/985453635.db2.gz VEVHCBJTPMVLCQ-UHFFFAOYSA-N 0 3 416.528 3.989 20 5 HHBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(CN2CCC(O)CC2)c1 ZINC000462779287 985713987 /nfs/dbraw/zinc/71/39/87/985713987.db2.gz OKKCBZFQGXBYJL-LJQANCHMSA-N 0 3 411.502 3.759 20 5 HHBDHN CC(C)C[C@@H](CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)N(C)C ZINC000444008235 986203711 /nfs/dbraw/zinc/20/37/11/986203711.db2.gz FMDRFXRYMFZSAQ-HNNXBMFYSA-N 0 3 401.457 3.666 20 5 HHBDHN CN(CC[C@H]1CCCCN1C)C(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444080264 986281231 /nfs/dbraw/zinc/28/12/31/986281231.db2.gz HYPGOCVIUASMAM-OAHLLOKOSA-N 0 3 413.468 3.906 20 5 HHBDHN COC(=O)C[C@@]1(NCc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CCOC1 ZINC000463717623 986703626 /nfs/dbraw/zinc/70/36/26/986703626.db2.gz QHFRPYZQBSGESU-FQEVSTJZSA-N 0 3 420.849 3.852 20 5 HHBDHN C[C@@H](CNC(=O)c1sc(Br)cc1[N+](=O)[O-])N(C)Cc1ccccc1 ZINC000445179361 987262027 /nfs/dbraw/zinc/26/20/27/987262027.db2.gz FOQSGOBNVDTXBJ-NSHDSACASA-N 0 3 412.309 3.669 20 5 HHBDHN CCN(CC)[C@@H](CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)c1ccsc1 ZINC000445489484 987549256 /nfs/dbraw/zinc/54/92/56/987549256.db2.gz JRNHHMZVEHJLSC-IBGZPJMESA-N 0 3 402.520 3.807 20 5 HHBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000463954302 988065524 /nfs/dbraw/zinc/06/55/24/988065524.db2.gz JHXISZORJSZHQG-CALCHBBNSA-N 0 3 404.511 3.565 20 5 HHBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC(C(=O)NCCCOC(C)C)CC1 ZINC000470173840 988089548 /nfs/dbraw/zinc/08/95/48/988089548.db2.gz GICXEXOAKBUGAA-NBVRZTHBSA-N 0 3 403.523 3.641 20 5 HHBDHN CCOC(=O)c1ccc(N2CCCN(C/C(C)=C/c3cccc([N+](=O)[O-])c3)CC2)nc1 ZINC000470175732 988091617 /nfs/dbraw/zinc/09/16/17/988091617.db2.gz FLLUDFKVJIIMPE-NBVRZTHBSA-N 0 3 424.501 3.782 20 5 HHBDHN CN(C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000470654571 988670389 /nfs/dbraw/zinc/67/03/89/988670389.db2.gz UNRQLWNYHOLLAJ-HXUWFJFHSA-N 0 3 419.485 3.517 20 5 HHBDHN CN(C(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000470667362 988688184 /nfs/dbraw/zinc/68/81/84/988688184.db2.gz LNXFFSUDOCDDOO-LJQANCHMSA-N 0 3 401.894 3.914 20 5 HHBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@@H](C)c1cn(C(C)(C)C)nc1C ZINC000464601842 988784299 /nfs/dbraw/zinc/78/42/99/988784299.db2.gz MPGIGDLKBJIBRF-ZDUSSCGKSA-N 0 3 403.483 3.543 20 5 HHBDHN COCCN(C)CCNC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000467288569 992612004 /nfs/dbraw/zinc/61/20/04/992612004.db2.gz PFGHDJDHXOIBDJ-UHFFFAOYSA-N 0 3 423.922 3.707 20 5 HHBDHN CCOC(=O)[C@]1(COC)CCCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000467552214 992831911 /nfs/dbraw/zinc/83/19/11/992831911.db2.gz WBLWDYWCFQKBHX-OAQYLSRUSA-N 0 3 402.447 3.647 20 5 HHBDHN Cc1csc(Sc2ccc(C(=O)N[C@@H]3CN(C4CC4)C[C@H]3C)cc2[N+](=O)[O-])n1 ZINC000467719687 992973075 /nfs/dbraw/zinc/97/30/75/992973075.db2.gz DTIGAXJDSDIWRC-IAQYHMDHSA-N 0 3 418.544 3.723 20 5 HHBDHN CC[C@@H](NCc1ccc(N2CCCS2(=O)=O)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000480720550 993588488 /nfs/dbraw/zinc/58/84/88/993588488.db2.gz SVNMKFCNMHIVBE-GOSISDBHSA-N 0 3 407.467 3.515 20 5 HHBDHN CC[C@H](NCCNC(=O)c1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1 ZINC000480904316 993760837 /nfs/dbraw/zinc/76/08/37/993760837.db2.gz FWTMYQQOBTUKTP-KRWDZBQOSA-N 0 3 406.280 3.828 20 5 HHBDHN CC(C)C[C@@H]1OCCC[C@@H]1NCC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000481762347 994615759 /nfs/dbraw/zinc/61/57/59/994615759.db2.gz SGNQUVLTMPKBAM-WMZOPIPTSA-N 0 3 418.519 3.840 20 5 HHBDHN Cc1cc(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)cc(N2CCN(C(C)C)CC2)c1 ZINC000482057088 994985866 /nfs/dbraw/zinc/98/58/66/994985866.db2.gz TWBBHFQQJYYIEI-UHFFFAOYSA-N 0 3 422.489 3.562 20 5 HHBDHN CC(C)[C@H](CN(C)Cc1ccccc1)NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000482165010 995123217 /nfs/dbraw/zinc/12/32/17/995123217.db2.gz QCMVWVUFBVAVHP-FQEVSTJZSA-N 0 3 409.490 3.891 20 5 HHBDHN CCO[C@@H]1C[C@@H](NCc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)[C@H]1OC ZINC000482498747 995509712 /nfs/dbraw/zinc/50/97/12/995509712.db2.gz BUSDYFHJBLKZCH-MQSCRBSSSA-N 0 3 422.485 3.730 20 5 HHBDHN CCOC(=O)C[C@@H]1C[C@H](OC)CN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000482501780 995511854 /nfs/dbraw/zinc/51/18/54/995511854.db2.gz CTIRLHPBZKMFNA-IRXDYDNUSA-N 0 3 404.488 3.866 20 5 HHBDHN COC(=O)COc1ccc(CN2CC[C@@H](c3ccc(Cl)cc3)C2)cc1[N+](=O)[O-] ZINC000475690736 996303078 /nfs/dbraw/zinc/30/30/78/996303078.db2.gz FPDXSUTXDLRSGL-MRXNPFEDSA-N 0 3 404.850 3.790 20 5 HHBDHN CC(C)[C@H](N[C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1)C(=O)N1CCOCC1 ZINC000484285811 996679389 /nfs/dbraw/zinc/67/93/89/996679389.db2.gz CJYJIJSIYVFQRV-YWZLYKJASA-N 0 3 417.531 3.857 20 5 HHBDHN CC(C)[C@@H](N[C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1)C(=O)N1CCOCC1 ZINC000484285808 996679396 /nfs/dbraw/zinc/67/93/96/996679396.db2.gz CJYJIJSIYVFQRV-FOIQADDNSA-N 0 3 417.531 3.857 20 5 HHBDHN CC[C@@H](N[C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1)C(=O)N1CCOCC1 ZINC000484291843 996682808 /nfs/dbraw/zinc/68/28/08/996682808.db2.gz NPGYNKVZMWUAFC-GDBMZVCRSA-N 0 3 403.504 3.611 20 5 HHBDHN Cc1cccc(O[C@@H]2CCCC[C@@H]2NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000484650933 996986902 /nfs/dbraw/zinc/98/69/02/996986902.db2.gz MEFKZFHWMKSLDK-LEWJYISDSA-N 0 3 418.515 3.657 20 5 HHBDHN CN(c1ncc([N+](=O)[O-])cc1Br)C1CCN(Cc2ccccc2)CC1 ZINC000485132629 997518035 /nfs/dbraw/zinc/51/80/35/997518035.db2.gz QZAWIMRDFJELLI-UHFFFAOYSA-N 0 3 405.296 3.853 20 5 HHBDHN C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CN1Cc1ccccc1 ZINC000485580518 998028630 /nfs/dbraw/zinc/02/86/30/998028630.db2.gz PHUZPBBPWWIAJR-DZGCQCFKSA-N 0 3 405.401 3.589 20 5 HHBDHN CC1CCN([C@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2F)c2cccs2)CC1 ZINC000477500098 998222285 /nfs/dbraw/zinc/22/22/85/998222285.db2.gz OOHLCLKDNSTYON-GOSISDBHSA-N 0 3 405.495 3.927 20 5 HHBDHN Cc1c(CN(C)[C@H](C)c2ccc(N3CCCS3(=O)=O)cc2)cccc1[N+](=O)[O-] ZINC000485831043 998297250 /nfs/dbraw/zinc/29/72/50/998297250.db2.gz GSPURYGJSIPMIZ-MRXNPFEDSA-N 0 3 403.504 3.636 20 5 HHBDHN Cc1ccc([C@H](CNC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)N2CCCC2)cc1 ZINC000486674733 998888170 /nfs/dbraw/zinc/88/81/70/998888170.db2.gz JNJHIVYJVJTCTN-QFIPXVFZSA-N 0 3 419.485 3.656 20 5 HHBDHN CCN(C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000487671771 999248750 /nfs/dbraw/zinc/24/87/50/999248750.db2.gz DBJHMLIAMCGKOA-CRAIPNDOSA-N 0 3 411.458 3.621 20 5 HHBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2cccc(C[NH+]3CCCCCC3)c2)c(F)c1 ZINC000488757505 999598412 /nfs/dbraw/zinc/59/84/12/999598412.db2.gz BHHLJISUUUBJAX-UHFFFAOYSA-N 0 3 421.494 3.588 20 5 HHBDHN CN(C)C[C@H](NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])c1ccc(F)cc1 ZINC000488885896 999636771 /nfs/dbraw/zinc/63/67/71/999636771.db2.gz GICRIDBEGZORHO-IBGZPJMESA-N 0 3 408.433 3.829 20 5 HHBDHN CN(C)C[C@@H](NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])c1ccc(F)cc1 ZINC000488885897 999636818 /nfs/dbraw/zinc/63/68/18/999636818.db2.gz GICRIDBEGZORHO-LJQANCHMSA-N 0 3 408.433 3.829 20 5 HHBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(OC2CCN(C)CC2)nc1 ZINC000489149515 999712294 /nfs/dbraw/zinc/71/22/94/999712294.db2.gz TUELTEMJJYHRTE-UHFFFAOYSA-N 0 3 416.503 3.827 20 5 HHBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000489952181 999868490 /nfs/dbraw/zinc/86/84/90/999868490.db2.gz HLPXXRGMXPALTN-LJQANCHMSA-N 0 3 415.490 3.813 20 5 HHBDHN CC[C@H](NC(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000493133452 1000159130 /nfs/dbraw/zinc/15/91/30/1000159130.db2.gz PMDUXGRAHRAEGD-FVJLSDCUSA-N 0 3 418.538 3.577 20 5 HHBDHN C[C@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Br)CCN1Cc1ccccc1 ZINC000494020227 1000271751 /nfs/dbraw/zinc/27/17/51/1000271751.db2.gz XUCMEQSPMUBVHG-UGSOOPFHSA-N 0 3 418.291 3.750 20 5 HHBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])NCc1ccccc1S(=O)(=O)N(C)C ZINC000504894399 1000433151 /nfs/dbraw/zinc/43/31/51/1000433151.db2.gz LHHJQRAEXHWOIJ-MRXNPFEDSA-N 0 3 423.560 3.506 20 5 HHBDHN O=C(N[C@H]1CCCN(Cc2ccccc2)C1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000494424730 1000485656 /nfs/dbraw/zinc/48/56/56/1000485656.db2.gz JOTILRKPPBBJDI-FQEVSTJZSA-N 0 3 408.502 3.933 20 5 HHBDHN CCO[C@@H]1C[C@H](NCc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C12CCC2 ZINC000494680247 1000600554 /nfs/dbraw/zinc/60/05/54/1000600554.db2.gz MRLKULAXOCLJOP-DLBZAZTESA-N 0 3 400.422 3.685 20 5 HHBDHN C[C@@H](CNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N(C)Cc1ccccc1 ZINC000495002113 1000772280 /nfs/dbraw/zinc/77/22/80/1000772280.db2.gz VZMGEVGIESHBPQ-AWEZNQCLSA-N 0 3 424.423 3.933 20 5 HHBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(CN2CCC(O)CC2)c1 ZINC000495411478 1001002932 /nfs/dbraw/zinc/00/29/32/1001002932.db2.gz IPWDXOGNFHILAN-UHFFFAOYSA-N 0 3 415.515 3.916 20 5 HHBDHN CN(C)[C@@H](CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)Cc1ccccc1 ZINC000497329627 1001294636 /nfs/dbraw/zinc/29/46/36/1001294636.db2.gz PZEVDSHXTZVHOI-GOSISDBHSA-N 0 3 410.499 3.621 20 5 HHBDHN CN(C)CCN(Cc1ccc(Br)cc1)C(=O)c1ccccc1[N+](=O)[O-] ZINC000498129237 1001654381 /nfs/dbraw/zinc/65/43/81/1001654381.db2.gz ZNDIRMQHHLVTBV-UHFFFAOYSA-N 0 3 406.280 3.561 20 5 HHBDHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000498164452 1001670453 /nfs/dbraw/zinc/67/04/53/1001670453.db2.gz CRNPHGWBMVRWPD-UHFFFAOYSA-N 0 3 411.380 3.539 20 5 HHBDHN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000507571531 1002176297 /nfs/dbraw/zinc/17/62/97/1002176297.db2.gz WJKJWBVYUKTQOT-INIZCTEOSA-N 0 3 407.474 3.877 20 5 HHBDHN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000498906181 1002299940 /nfs/dbraw/zinc/29/99/40/1002299940.db2.gz UZOYZUJAVQUUHQ-NRFANRHFSA-N 0 3 406.486 3.720 20 5 HHBDHN O=C(NCc1ccccc1[N+](=O)[O-])[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000508569470 1003035068 /nfs/dbraw/zinc/03/50/68/1003035068.db2.gz NAAJLGQZHCCBPR-LJQANCHMSA-N 0 3 407.392 3.666 20 5 HHBDHN COc1cc(C(=O)N[C@@H](CN2CCc3ccccc3C2)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000508950137 1003405795 /nfs/dbraw/zinc/40/57/95/1003405795.db2.gz PWIILPXPURNWHA-NRFANRHFSA-N 0 3 411.502 3.806 20 5 HHBDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000500147707 1003504513 /nfs/dbraw/zinc/50/45/13/1003504513.db2.gz ITTXNVSWZWZBHV-FZKQIMNGSA-N 0 3 407.392 3.864 20 5 HHBDHN CCN1CCC[C@@H](CN(C)c2ccc([N+](=O)[O-])c3cnccc32)[C@@H]1c1cnn(C)c1 ZINC000509621776 1003986880 /nfs/dbraw/zinc/98/68/80/1003986880.db2.gz UXYFIRYBOUJDCL-KSFYIVLOSA-N 0 3 408.506 3.786 20 5 HHBDHN C[C@@H]1[C@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)CCN1Cc1ccccc1 ZINC000502158876 1004929774 /nfs/dbraw/zinc/92/97/74/1004929774.db2.gz QTYMWHIAJFHYBG-AUUYWEPGSA-N 0 3 402.882 3.710 20 5 HHBDHN CCCN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@H](C)C(=O)Nc1ccccc1 ZINC000502908973 1005270186 /nfs/dbraw/zinc/27/01/86/1005270186.db2.gz DAVCVQVVSSYJEF-QGZVFWFLSA-N 0 3 412.490 3.971 20 5 HHBDHN O=[N+]([O-])c1cccc(-c2noc(CN3C[C@H](c4ccccc4)[C@@H]4COCC[C@@H]43)n2)c1 ZINC000511760711 1005311582 /nfs/dbraw/zinc/31/15/82/1005311582.db2.gz HEGWTLHPXXAIPY-AABGKKOBSA-N 0 3 406.442 3.649 20 5 HHBDHN Cc1ccc(CN(CCN(C)C)C(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000504018756 1005533557 /nfs/dbraw/zinc/53/35/57/1005533557.db2.gz FETRIQWHQIICAZ-CQSZACIVSA-N 0 3 409.870 3.507 20 5 HHBDHN CN1CCC(N(Cc2ccccc2)C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 ZINC000531395967 1006172088 /nfs/dbraw/zinc/17/20/88/1006172088.db2.gz KJBOMIXOTCFBAB-UHFFFAOYSA-N 0 3 422.529 3.932 20 5 HHBDHN CC(C)Cc1ccc([C@H](CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)N(C)C)cc1 ZINC000514984356 1006237798 /nfs/dbraw/zinc/23/77/98/1006237798.db2.gz HZSZJBDRKJTZNF-IBGZPJMESA-N 0 3 413.474 3.555 20 5 HHBDHN C[C@@H]1CCCN(c2ccc(C(=O)NC[C@@H](Cc3ccccc3)N(C)C)cc2[N+](=O)[O-])C1 ZINC000534520528 1006516437 /nfs/dbraw/zinc/51/64/37/1006516437.db2.gz DGCCJGDIMQLCHK-WIYYLYMNSA-N 0 3 424.545 3.734 20 5 HHBDHN CN(C)CCN(Cc1cccc(F)c1)C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000538345184 1006612957 /nfs/dbraw/zinc/61/29/57/1006612957.db2.gz FPFHYDJTPKZRTH-UHFFFAOYSA-N 0 3 422.460 4.000 20 5 HHBDHN COc1ccc([C@H](CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)N2CCCC2)cc1 ZINC000534648075 1006626639 /nfs/dbraw/zinc/62/66/39/1006626639.db2.gz DDFRGUXGUCRKJI-QFIPXVFZSA-N 0 3 422.485 3.581 20 5 HHBDHN COc1cccc([C@H](CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)N2CCCC2)c1 ZINC000534648132 1006626762 /nfs/dbraw/zinc/62/67/62/1006626762.db2.gz GVMQCFPGYICBKE-QFIPXVFZSA-N 0 3 422.485 3.581 20 5 HHBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000534695935 1006679262 /nfs/dbraw/zinc/67/92/62/1006679262.db2.gz JRBLTFYMAVLDQW-KRWDZBQOSA-N 0 3 419.865 3.739 20 5 HHBDHN CS(=O)(=O)[C@H]1CCC[C@@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000538419188 1006687213 /nfs/dbraw/zinc/68/72/13/1006687213.db2.gz DSXRSZPYQHTKLG-DOMZBBRYSA-N 0 3 412.895 3.954 20 5 HHBDHN CCc1nc(C)c([C@@H](C)N(C)CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)s1 ZINC000532576527 1007007546 /nfs/dbraw/zinc/00/75/46/1007007546.db2.gz DSFOCPFXCCCUFK-CYBMUJFWSA-N 0 3 404.492 3.913 20 5 HHBDHN O=C(Nc1ccccc1)c1ccc(CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000532703548 1007118295 /nfs/dbraw/zinc/11/82/95/1007118295.db2.gz ACQLSVAIUKKSCU-FQEVSTJZSA-N 0 3 417.469 3.929 20 5 HHBDHN Cc1cccc(C)c1OC[C@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1ccccc1 ZINC000539325928 1007624726 /nfs/dbraw/zinc/62/47/26/1007624726.db2.gz SBPQMTLNCYDDNY-NRFANRHFSA-N 0 3 407.470 3.783 20 5 HHBDHN C[C@@H]1COCCN1CCNCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000517547681 1007763818 /nfs/dbraw/zinc/76/38/18/1007763818.db2.gz IZDWBIIQOWGUNY-OAHLLOKOSA-N 0 3 405.882 3.851 20 5 HHBDHN O=C1[C@H](NC/C=C\c2ccccc2[N+](=O)[O-])CCCN1c1ccc(OC(F)F)cc1 ZINC000539499359 1007810942 /nfs/dbraw/zinc/81/09/42/1007810942.db2.gz PGJANIVWRHKFEJ-VDNIUXDYSA-N 0 3 417.412 3.995 20 5 HHBDHN COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](CN2CCc3ccccc3C2)C(C)(C)C)c1 ZINC000517871832 1008022840 /nfs/dbraw/zinc/02/28/40/1008022840.db2.gz TZXJAEQHISJTFB-NRFANRHFSA-N 0 3 411.502 3.806 20 5 HHBDHN Cc1cc(NC2CCN([C@H](C)c3ccncc3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000535986250 1008025280 /nfs/dbraw/zinc/02/52/80/1008025280.db2.gz BNFACCYVMKIAPW-QGZVFWFLSA-N 0 3 418.501 3.815 20 5 HHBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3CCN(CC4CCOCC4)CC3)s2)cc1 ZINC000539827961 1008121440 /nfs/dbraw/zinc/12/14/40/1008121440.db2.gz VLUSUZIHEHOEPB-UHFFFAOYSA-N 0 3 401.532 3.868 20 5 HHBDHN COc1ccc(-c2ccc(CN3CCC[C@H](C(=O)N4CCCC4)C3)o2)c([N+](=O)[O-])c1 ZINC000539828146 1008121690 /nfs/dbraw/zinc/12/16/90/1008121690.db2.gz CBPZTLWDKKLHSL-INIZCTEOSA-N 0 3 413.474 3.698 20 5 HHBDHN COc1cc(CN2CCC[C@H]([C@@H]3CCOC3)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000539898213 1008171374 /nfs/dbraw/zinc/17/13/74/1008171374.db2.gz NGLZCXZDJVNZQE-UONOGXRCSA-N 0 3 418.412 3.793 20 5 HHBDHN COc1ccc([C@H](CN2CCCC2)NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000539931957 1008190846 /nfs/dbraw/zinc/19/08/46/1008190846.db2.gz OXJZMTFKOMNCBT-FQEVSTJZSA-N 0 3 417.893 3.753 20 5 HHBDHN Cc1ccccc1CN1CCCN(C(=O)CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000540475153 1008446253 /nfs/dbraw/zinc/44/62/53/1008446253.db2.gz FSQKSZVQYPIHKC-HXUWFJFHSA-N 0 3 424.545 3.597 20 5 HHBDHN CCN(CC)[C@@H](CNC(=O)c1cc([N+](=O)[O-])cn1C)c1ccc(C(F)(F)F)cc1 ZINC000518890771 1008461107 /nfs/dbraw/zinc/46/11/07/1008461107.db2.gz FLZIXWXLAMIYMI-KRWDZBQOSA-N 0 3 412.412 3.765 20 5 HHBDHN CCN(C(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCN(Cc2ccccc2)C1 ZINC000546183374 1009212749 /nfs/dbraw/zinc/21/27/49/1009212749.db2.gz CVFMILBUWINMGU-IBGZPJMESA-N 0 3 401.894 3.914 20 5 HHBDHN CN(c1ccccc1)c1ccc(CNC[C@H](O)COc2ccccc2)cc1[N+](=O)[O-] ZINC000520208835 1009343548 /nfs/dbraw/zinc/34/35/48/1009343548.db2.gz QCOCWEOBVKCPMY-FQEVSTJZSA-N 0 3 407.470 3.892 20 5 HHBDHN C[C@H]1C[C@H](NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CN1Cc1ccccc1 ZINC000543785373 1009355396 /nfs/dbraw/zinc/35/53/96/1009355396.db2.gz TVYRRFHXNOEPJN-BBRMVZONSA-N 0 3 405.401 3.589 20 5 HHBDHN COc1ccc2c(c1)C[C@@H](C)N(CCCn1c3cc([N+](=O)[O-])ccc3oc1=O)[C@H]2C ZINC000543806368 1009369067 /nfs/dbraw/zinc/36/90/67/1009369067.db2.gz BCDYOPUVSPSPPS-CABCVRRESA-N 0 3 411.458 3.909 20 5 HHBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000550264971 1009816545 /nfs/dbraw/zinc/81/65/45/1009816545.db2.gz UPZNMFYCLNMHRL-MRXNPFEDSA-N 0 3 420.307 3.568 20 5 HHBDHN COc1cc(CNC[C@H](C)c2nc(C)cs2)c([N+](=O)[O-])cc1OCC(F)F ZINC000544597301 1010223537 /nfs/dbraw/zinc/22/35/37/1010223537.db2.gz ZKPTVMXPMCPKGN-JTQLQIEISA-N 0 3 401.435 3.906 20 5 HHBDHN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000521277974 1010272981 /nfs/dbraw/zinc/27/29/81/1010272981.db2.gz FGUOXUPMGJSMEI-AWEZNQCLSA-N 0 3 421.881 3.732 20 5 HHBDHN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000521957153 1010735626 /nfs/dbraw/zinc/73/56/26/1010735626.db2.gz UIUCPLWEXUCGTR-GJZGRUSLSA-N 0 3 405.882 3.652 20 5 HHBDHN O=[N+]([O-])c1cccc(-c2nc(CNC[C@H](CO)Cc3ccc(F)cc3)cs2)c1 ZINC000540570637 1011229059 /nfs/dbraw/zinc/22/90/59/1011229059.db2.gz GTYOXMHCUREDOV-OAHLLOKOSA-N 0 3 401.463 3.798 20 5 HHBDHN COc1cc(CNCCc2nc3ccccc3n2C(F)F)c([N+](=O)[O-])cc1OC ZINC000540809384 1011471013 /nfs/dbraw/zinc/47/10/13/1011471013.db2.gz HRNMZRCLZAGPIQ-UHFFFAOYSA-N 0 3 406.389 3.689 20 5 HHBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000536713153 1011886200 /nfs/dbraw/zinc/88/62/00/1011886200.db2.gz IUBDPVFNQYIMCI-UHFFFAOYSA-N 0 3 423.469 3.792 20 5 HHBDHN CC1CCN([C@H](CNC(=O)NCc2ccc([N+](=O)[O-])cc2)c2cccs2)CC1 ZINC000523565172 1012103550 /nfs/dbraw/zinc/10/35/50/1012103550.db2.gz MZEHMWLAOWFWAW-GOSISDBHSA-N 0 3 402.520 3.929 20 5 HHBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])N[C@H]1CCCN(Cc2ccccn2)C1=O ZINC000541568101 1012358302 /nfs/dbraw/zinc/35/83/02/1012358302.db2.gz CFQJOXINZBITQQ-WMZOPIPTSA-N 0 3 414.531 3.641 20 5 HHBDHN Cc1ccc(Cl)c(OC[C@H](O)CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000541579724 1012371236 /nfs/dbraw/zinc/37/12/36/1012371236.db2.gz ZAIJKLIRFJKICY-QGZVFWFLSA-N 0 3 420.893 3.840 20 5 HHBDHN COc1ccc2oc([C@H](C)NC[C@@H](O)COc3cccc([N+](=O)[O-])c3)c(C)c2c1 ZINC000541652562 1012475855 /nfs/dbraw/zinc/47/58/55/1012475855.db2.gz XPXBQVDMTIEDIT-GOEBONIOSA-N 0 3 400.431 3.749 20 5 HHBDHN O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000523870640 1012567772 /nfs/dbraw/zinc/56/77/72/1012567772.db2.gz DHXFNIRNAWDTLR-KRWDZBQOSA-N 0 3 423.448 3.975 20 5 HHBDHN C[C@@H]1C[C@H]1[C@@H](NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc(Cl)cc1 ZINC000537222375 1012649452 /nfs/dbraw/zinc/64/94/52/1012649452.db2.gz XQUUXYSFZHHDMX-GIQGCJHYSA-N 0 3 417.849 3.902 20 5 HHBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000541952637 1012813573 /nfs/dbraw/zinc/81/35/73/1012813573.db2.gz TUVQZOXDRFDJJD-QGZVFWFLSA-N 0 3 411.380 3.574 20 5 HHBDHN COc1ccc([C@H](CN(C)C)NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000552816438 1012824866 /nfs/dbraw/zinc/82/48/66/1012824866.db2.gz QCHJKRAONNZSBJ-LIRRHRJNSA-N 0 3 403.504 3.503 20 5 HHBDHN COc1cc(-c2nc(-c3ccc(CN(C)C)cc3)no2)c([N+](=O)[O-])cc1OC(F)F ZINC000904623933 1071817489 /nfs/dbraw/zinc/81/74/89/1071817489.db2.gz FZOQONLPRKLYOH-UHFFFAOYSA-N 0 3 420.372 3.983 20 5 HHBDHN CCN(CC)CCOC(=O)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000912578566 1072248470 /nfs/dbraw/zinc/24/84/70/1072248470.db2.gz YYNQCRHSGGDRCM-UHFFFAOYSA-N 0 3 404.850 3.978 20 5 HHBDHN CN1C[C@@H]2CCN(C(=O)c3ccc(Oc4ccc(Cl)cc4[N+](=O)[O-])cc3)[C@@H]2C1 ZINC000590442064 1073836303 /nfs/dbraw/zinc/83/63/03/1073836303.db2.gz GCQVZAZNXFEEHS-KBXCAEBGSA-N 0 3 401.850 3.817 20 5 HHBDHN CN1C[C@@H]2CCN(C(=O)c3ccc(NCc4ccccc4Cl)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000590445872 1073838615 /nfs/dbraw/zinc/83/86/15/1073838615.db2.gz SOEIKQVMCJUHDW-OXJNMPFZSA-N 0 3 414.893 3.636 20 5 HHBDHN Cc1c(CO)cc([N+](=O)[O-])c(NC[C@@H]2CCCN(C)[C@@H]2c2cccs2)c1[N+](=O)[O-] ZINC000301402443 970910507 /nfs/dbraw/zinc/91/05/07/970910507.db2.gz CYBCJLWKMGDZDS-DJJJIMSYSA-N 0 3 420.491 3.860 20 5 HHBDHN CS(=O)(=O)c1cccc(NCc2ccccc2CN2CCCCCC2)c1[N+](=O)[O-] ZINC000301898260 971105211 /nfs/dbraw/zinc/10/52/11/971105211.db2.gz RXMBIZYNXTXHIS-UHFFFAOYSA-N 0 3 417.531 3.986 20 5 HHBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@H](c1ccccc1Cl)N1CCOCC1 ZINC000303125096 971515827 /nfs/dbraw/zinc/51/58/27/971515827.db2.gz NCXWYMXCDAZRRW-HXUWFJFHSA-N 0 3 419.909 3.810 20 5 HHBDHN COc1ccc([C@@H](CN2CCCC2)Nc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)cc1 ZINC000553182818 1013141465 /nfs/dbraw/zinc/14/14/65/1013141465.db2.gz YPYPRIXMWONILH-LJQANCHMSA-N 0 3 409.446 3.501 20 5 HHBDHN CC(C)N1CCCN(C(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)CC1 ZINC000524328267 1013149584 /nfs/dbraw/zinc/14/95/84/1013149584.db2.gz BLZZUWADLJYDON-KRWDZBQOSA-N 0 3 411.506 3.719 20 5 HHBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3CCN(C[C@@H]4CCOC4)CC3)o2)c(Cl)c1 ZINC000537619406 1013162483 /nfs/dbraw/zinc/16/24/83/1013162483.db2.gz BYSMMCIREARYTE-HNNXBMFYSA-N 0 3 405.882 3.662 20 5 HHBDHN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NCCCN1CCc2ccccc2C1 ZINC000542328139 1013283340 /nfs/dbraw/zinc/28/33/40/1013283340.db2.gz IXUGFXLMVPKEHB-UHFFFAOYSA-N 0 3 419.934 3.905 20 5 HHBDHN O=C(NC[C@H](c1ccccc1)N1CCCC1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000011652479 962153853 /nfs/dbraw/zinc/15/38/53/962153853.db2.gz BICGIWSKHMTFIC-HSZRJFAPSA-N 0 3 422.529 3.765 20 5 HHBDHN CCN(CC)[C@@H](CNC(=S)Nc1ccc([N+](=O)[O-])cc1)c1cccc(OC)c1 ZINC000017516738 963206687 /nfs/dbraw/zinc/20/66/87/963206687.db2.gz WLCZACAYCHXHFA-IBGZPJMESA-N 0 3 402.520 3.973 20 5 HHBDHN COc1ccc(C(=O)C2CCN(CCC(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000025061388 964159607 /nfs/dbraw/zinc/15/96/07/964159607.db2.gz ULXQGXPDIFUPJH-UHFFFAOYSA-N 0 3 411.458 3.527 20 5 HHBDHN COc1ccc(C(=O)C2CCN(CCC(=O)Nc3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000025061374 964159786 /nfs/dbraw/zinc/15/97/86/964159786.db2.gz OUYBMMZAMIPBHY-UHFFFAOYSA-N 0 3 411.458 3.527 20 5 HHBDHN Cc1csc(Sc2ccc(C(=O)NC[C@H](C)N3CCCC3)cc2[N+](=O)[O-])n1 ZINC000050171394 964280868 /nfs/dbraw/zinc/28/08/68/964280868.db2.gz AGWQDYUIZDIKEW-ZDUSSCGKSA-N 0 3 406.533 3.725 20 5 HHBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(Cc1cccs1)C[C@H]1CCCO1 ZINC000026260519 964508463 /nfs/dbraw/zinc/50/84/63/964508463.db2.gz JDHQJIGHUSTUNE-MRXNPFEDSA-N 0 3 419.503 3.675 20 5 HHBDHN CC[C@H](N[C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[C@H]1CCCO1 ZINC000542562101 1013504323 /nfs/dbraw/zinc/50/43/23/1013504323.db2.gz GJVNULAJNCNONE-YLQAJVPDSA-N 0 3 404.492 3.593 20 5 HHBDHN COc1ccc2oc([C@H](C)NC[C@@H](O)COc3ccccc3[N+](=O)[O-])c(C)c2c1 ZINC000542582182 1013523345 /nfs/dbraw/zinc/52/33/45/1013523345.db2.gz FCXDHYQOHMVZOR-LSDHHAIUSA-N 0 3 400.431 3.749 20 5 HHBDHN O=C(Nc1cc(Cl)ccc1[O-])C1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000053039008 965046028 /nfs/dbraw/zinc/04/60/28/965046028.db2.gz ZQVLGXBOMHZJQJ-UHFFFAOYSA-N 0 3 403.866 3.847 20 5 HHBDHN CN(C)CCN(Cc1ccc(Br)cc1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000056996991 965244401 /nfs/dbraw/zinc/24/44/01/965244401.db2.gz SBWOSUQHQTWKHD-UHFFFAOYSA-N 0 3 406.280 3.561 20 5 HHBDHN CC[C@H](NCCNC(=O)c1cccc(Br)c1)c1cccc([N+](=O)[O-])c1 ZINC000537984547 1013559843 /nfs/dbraw/zinc/55/98/43/1013559843.db2.gz ZMEJXXDCNLAUNJ-KRWDZBQOSA-N 0 3 406.280 3.828 20 5 HHBDHN Cc1ccc([N-]S(=O)(=O)c2ccc(NC3CC[NH+](C)CC3)c([N+](=O)[O-])c2)c(C)c1 ZINC000058851291 965927859 /nfs/dbraw/zinc/92/78/59/965927859.db2.gz AYFVTHWNDYONEX-UHFFFAOYSA-N 0 3 418.519 3.519 20 5 HHBDHN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)cc1OC ZINC000056168451 966243958 /nfs/dbraw/zinc/24/39/58/966243958.db2.gz IJHALIPRQWCACJ-DOTOQJQBSA-N 0 3 413.474 3.567 20 5 HHBDHN CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@@H](c2ccc(CC)cc2)N(C)C)cc1OC ZINC000032733952 966320707 /nfs/dbraw/zinc/32/07/07/966320707.db2.gz RFTDNYMWYBLXFT-IBGZPJMESA-N 0 3 415.490 3.597 20 5 HHBDHN CCCOc1cc(NC(=O)N2CCCN(CC)CC2)c([N+](=O)[O-])cc1OCCC ZINC000538080240 1013652053 /nfs/dbraw/zinc/65/20/53/1013652053.db2.gz RTSGKDNZUXPJKZ-UHFFFAOYSA-N 0 3 408.499 3.732 20 5 HHBDHN CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1csc([N+](=O)[O-])c1 ZINC000064470496 967200193 /nfs/dbraw/zinc/20/01/93/967200193.db2.gz UNDGONLKMWXRAW-UHFFFAOYSA-N 0 3 401.410 3.879 20 5 HHBDHN CCOc1ccc(NC(=O)CN[C@@H](C)c2ccc(-n3ccnc3C)cc2)c([N+](=O)[O-])c1 ZINC000542881048 1013729659 /nfs/dbraw/zinc/72/96/59/1013729659.db2.gz LARBUHSDEXKXOX-HNNXBMFYSA-N 0 3 423.473 3.777 20 5 HHBDHN C[C@H]1C[C@H]1N1CCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H](C)C1 ZINC000554111869 1013803199 /nfs/dbraw/zinc/80/31/99/1013803199.db2.gz JAVHGMVVIKCMBR-SUNYJGFJSA-N 0 3 400.504 3.521 20 5 HHBDHN CN(C)CCN(Cc1cccc(Cl)c1)C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000065936865 968726136 /nfs/dbraw/zinc/72/61/36/968726136.db2.gz SIGSPUQMJDDOOD-UHFFFAOYSA-N 0 3 404.898 3.641 20 5 HHBDHN Cc1ccc([C@H](CNC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)N2CCCC2)cc1 ZINC000109505022 969525781 /nfs/dbraw/zinc/52/57/81/969525781.db2.gz WVYIFHDAALMOLF-QFIPXVFZSA-N 0 3 419.485 3.656 20 5 HHBDHN Cc1cc(CN2CCSCC2)ccc1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000109887870 969586778 /nfs/dbraw/zinc/58/67/78/969586778.db2.gz OHEOGRCYQFQFRZ-UHFFFAOYSA-N 0 3 411.487 3.581 20 5 HHBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(Cc1cccs1)[C@@H]1C=C[C@H](CO)C1 ZINC000554283483 1013893527 /nfs/dbraw/zinc/89/35/27/1013893527.db2.gz WYCDTKCQPSYTAD-DLBZAZTESA-N 0 3 415.515 3.733 20 5 HHBDHN CC(C)CC(=O)N1CCC(NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000236606417 970146139 /nfs/dbraw/zinc/14/61/39/970146139.db2.gz AXRKPAQBQLOPBA-UHFFFAOYSA-N 0 3 402.520 3.845 20 5 HHBDHN CC(C)(C)OC(=O)NC[C@@H](NCc1ccc(Br)c([N+](=O)[O-])c1)C1CC1 ZINC000236790014 970172235 /nfs/dbraw/zinc/17/22/35/970172235.db2.gz VNSCKNZVSCJGOJ-CQSZACIVSA-N 0 3 414.300 3.750 20 5 HHBDHN CCOc1ccc([N+](=O)[O-])cc1CNCc1ccccc1CN1C[C@H](C)O[C@@H](C)C1 ZINC000236854083 970180452 /nfs/dbraw/zinc/18/04/52/970180452.db2.gz VYBSOSNSTMBCPS-ROUUACIJSA-N 0 3 413.518 3.893 20 5 HHBDHN COc1cc(CNCc2cccc(CO)c2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237111939 970224843 /nfs/dbraw/zinc/22/48/43/970224843.db2.gz KULUHZUHIFDYFK-UHFFFAOYSA-N 0 3 408.454 3.965 20 5 HHBDHN COc1cc(CNCC2(O)CCCCC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000237132982 970228849 /nfs/dbraw/zinc/22/88/49/970228849.db2.gz PJMACDMYKSVBGC-UHFFFAOYSA-N 0 3 400.475 3.967 20 5 HHBDHN COc1cc(CNC[C@H]2CCC[C@@H](O)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000237281657 970254153 /nfs/dbraw/zinc/25/41/53/970254153.db2.gz BMRPLTMQFMHKSL-PKOBYXMFSA-N 0 3 400.475 3.823 20 5 HHBDHN COc1cc(CNCCc2cn3ccccc3n2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000237414149 970281254 /nfs/dbraw/zinc/28/12/54/970281254.db2.gz MBIFRGMJQCWMDP-UHFFFAOYSA-N 0 3 424.379 3.525 20 5 HHBDHN C[C@H]1CN(C(C)(C)CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@H](C)O1 ZINC000237599403 970320077 /nfs/dbraw/zinc/32/00/77/970320077.db2.gz ZODHCGNTAQJZIC-GJZGRUSLSA-N 0 3 404.536 3.696 20 5 HHBDHN O=[N+]([O-])c1ccccc1CNC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1 ZINC000237904801 970391315 /nfs/dbraw/zinc/39/13/15/970391315.db2.gz LUJKJXBVSLYZMX-IBGZPJMESA-N 0 3 409.408 3.777 20 5 HHBDHN COc1cccc([C@@H](CNc2ncc([N+](=O)[O-])c(C)c2Br)N(C)C)c1 ZINC000328017577 972764545 /nfs/dbraw/zinc/76/45/45/972764545.db2.gz XMFFSJFTIWTMPT-OAHLLOKOSA-N 0 3 409.284 3.784 20 5 HHBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(CN2CC[C@@H](O)C2)c1 ZINC000428551532 975861854 /nfs/dbraw/zinc/86/18/54/975861854.db2.gz SNPDCPHUEVGVNW-QGZVFWFLSA-N 0 3 401.488 3.526 20 5 HHBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC[C@@H](Sc2cccc(Cl)c2)C1 ZINC000429126720 976412142 /nfs/dbraw/zinc/41/21/42/976412142.db2.gz IGIQHVWHHKUNGL-NVXWUHKLSA-N 0 3 408.907 3.855 20 5 HHBDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000431472430 978319339 /nfs/dbraw/zinc/31/93/39/978319339.db2.gz PZKAHJJMAJBSGK-GUYCJALGSA-N 0 3 418.291 3.923 20 5 HHBDHN COCc1cc([N+](=O)[O-])ccc1NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC000433443830 979310082 /nfs/dbraw/zinc/31/00/82/979310082.db2.gz QRBULUKSEVHNDU-UHFFFAOYSA-N 0 3 403.454 3.836 20 5 HHBDHN CC(C)c1n[n-]c(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)c1[N+](=O)[O-] ZINC000433744342 979539516 /nfs/dbraw/zinc/53/95/16/979539516.db2.gz JAPQAUZHIPXDIZ-MRXNPFEDSA-N 0 3 419.913 3.879 20 5 HHBDHN CC(C)c1n[n-]c(C(=O)NC[C@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)c1[N+](=O)[O-] ZINC000433744342 979539523 /nfs/dbraw/zinc/53/95/23/979539523.db2.gz JAPQAUZHIPXDIZ-MRXNPFEDSA-N 0 3 419.913 3.879 20 5 HHBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000434064416 979804275 /nfs/dbraw/zinc/80/42/75/979804275.db2.gz WPSJRPZEJWKQPP-KGLIPLIRSA-N 0 3 417.453 3.791 20 5 HHBDHN O=C(NCC1(N2CCSCC2)CCCC1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000438015872 982525291 /nfs/dbraw/zinc/52/52/91/982525291.db2.gz TYCDEHYVUTVDRX-UHFFFAOYSA-N 0 3 418.563 3.630 20 5 HHBDHN CN(C)CCN(Cc1cccs1)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000438540002 982877969 /nfs/dbraw/zinc/87/79/69/982877969.db2.gz ZLMFKVOBOAODCC-UHFFFAOYSA-N 0 3 401.410 3.879 20 5 HHBDHN CCN(C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000438654452 982971707 /nfs/dbraw/zinc/97/17/07/982971707.db2.gz GJCDTXCYLZVKHE-PKOBYXMFSA-N 0 3 424.501 3.526 20 5 HHBDHN CCN(C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000438657181 982974835 /nfs/dbraw/zinc/97/48/35/982974835.db2.gz UBDRPSAQHLGQQG-PXNSSMCTSA-N 0 3 424.501 3.526 20 5 HHBDHN C[C@H](c1ccncc1)N1CCC(NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000439765463 983529697 /nfs/dbraw/zinc/52/96/97/983529697.db2.gz GOBIVGNGQNDFKL-QGZVFWFLSA-N 0 3 411.506 3.524 20 5 HHBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000462777661 985713477 /nfs/dbraw/zinc/71/34/77/985713477.db2.gz NQZBCHGICMUVSK-PKOBYXMFSA-N 0 3 410.518 3.900 20 5 HHBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(CN2CCC(O)CC2)c1 ZINC000462779286 985714444 /nfs/dbraw/zinc/71/44/44/985714444.db2.gz OKKCBZFQGXBYJL-IBGZPJMESA-N 0 3 411.502 3.759 20 5 HHBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)C1CCN(CCc2ccccn2)CC1 ZINC000462928675 985864255 /nfs/dbraw/zinc/86/42/55/985864255.db2.gz YBXJGIHVVBYGBV-FQEVSTJZSA-N 0 3 424.545 3.724 20 5 HHBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNC[C@H](CO)Cc2cc(F)c(F)c(F)c2)c1 ZINC000444005316 986202187 /nfs/dbraw/zinc/20/21/87/986202187.db2.gz VZUPABATNSGLAK-LLVKDONJSA-N 0 3 420.334 3.554 20 5 HHBDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000463291333 986258468 /nfs/dbraw/zinc/25/84/68/986258468.db2.gz WZECOYJGUXCFME-JTSKRJEESA-N 0 3 408.502 3.789 20 5 HHBDHN CN(CC[C@@H]1CCCCN1C)C(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444080263 986281104 /nfs/dbraw/zinc/28/11/04/986281104.db2.gz HYPGOCVIUASMAM-HNNXBMFYSA-N 0 3 413.468 3.906 20 5 HHBDHN CN(CC[C@@H]1CCCCN1C)C(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000444096448 986295189 /nfs/dbraw/zinc/29/51/89/986295189.db2.gz PAIWACATZVYGAF-INIZCTEOSA-N 0 3 413.468 3.906 20 5 HHBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@H](c2c(F)cccc2F)C1 ZINC000469459081 987144277 /nfs/dbraw/zinc/14/42/77/987144277.db2.gz NZULHLLAWWLDGL-CYBMUJFWSA-N 0 3 405.401 3.700 20 5 HHBDHN C[C@@H]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCN1Cc1ccccc1 ZINC000464840694 989086874 /nfs/dbraw/zinc/08/68/74/989086874.db2.gz VWNSALGSMPEBIM-MRXNPFEDSA-N 0 3 416.909 3.783 20 5 HHBDHN C[C@H]1C[C@@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])CN1Cc1ccccc1 ZINC000467687993 992944199 /nfs/dbraw/zinc/94/41/99/992944199.db2.gz KEAIPDJNDWIVRO-XJKSGUPXSA-N 0 3 418.291 3.750 20 5 HHBDHN C[C@H]1C[C@@H](NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CN1Cc1ccccc1 ZINC000467691102 992946878 /nfs/dbraw/zinc/94/68/78/992946878.db2.gz LXGKCMPGTWJEAG-GHTZIAJQSA-N 0 3 422.529 3.590 20 5 HHBDHN O=C(NC1CC(N2CCC(C(F)(F)F)CC2)C1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000473528726 994385835 /nfs/dbraw/zinc/38/58/35/994385835.db2.gz UTRGGARQYGTMCM-UHFFFAOYSA-N 0 3 405.804 3.783 20 5 HHBDHN Cn1cc(CN2CCC(O)(Cc3ccc(F)cc3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000482281436 995260684 /nfs/dbraw/zinc/26/06/84/995260684.db2.gz SYSJARMXQUMRGE-UHFFFAOYSA-N 0 3 424.476 3.704 20 5 HHBDHN COC(=O)COc1ccc(CN[C@@H]2c3cccc(F)c3CC[C@H]2C)cc1[N+](=O)[O-] ZINC000474351627 995331428 /nfs/dbraw/zinc/33/14/28/995331428.db2.gz LVNKXFKQIBWNGL-ASSNKEHSSA-N 0 3 402.422 3.699 20 5 HHBDHN COc1cc([N+](=O)[O-])c(C(=O)NC2CCN(Cc3ccccc3)CC2)cc1SC ZINC000482437142 995430048 /nfs/dbraw/zinc/43/00/48/995430048.db2.gz NWCJSJVBHIKANZ-UHFFFAOYSA-N 0 3 415.515 3.720 20 5 HHBDHN O=[N+]([O-])c1ccccc1OCCN[C@@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000483229239 996048926 /nfs/dbraw/zinc/04/89/26/996048926.db2.gz DGEXSPHZYXCKRP-AWEZNQCLSA-N 0 3 404.772 3.969 20 5 HHBDHN COc1cc(CNC[C@@](C)(O)C2CCCCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000483428771 996172949 /nfs/dbraw/zinc/17/29/49/996172949.db2.gz OMZXYFMCYJMYFB-LJQANCHMSA-N 0 3 402.438 3.668 20 5 HHBDHN COC(=O)COc1ccc(CN(C)[C@H]2CCCc3cc(OC)ccc32)cc1[N+](=O)[O-] ZINC000475584791 996232040 /nfs/dbraw/zinc/23/20/40/996232040.db2.gz PKSXQEIVLPFPNT-IBGZPJMESA-N 0 3 414.458 3.665 20 5 HHBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N(C)C1CCN(CCc2ccccn2)CC1 ZINC000475643031 996271795 /nfs/dbraw/zinc/27/17/95/996271795.db2.gz WBMZGYHCADJNEL-UHFFFAOYSA-N 0 3 411.506 3.777 20 5 HHBDHN COc1cc(CN[C@H]2CCc3cnn(C(C)C)c3C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000483623235 996292304 /nfs/dbraw/zinc/29/23/04/996292304.db2.gz JWXMAXZJFTVLIZ-HNNXBMFYSA-N 0 3 424.448 3.672 20 5 HHBDHN COc1cc(CN2CCC[C@@]2(CO)CC(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000475713184 996316765 /nfs/dbraw/zinc/31/67/65/996316765.db2.gz IHAMFTYDUYTMFJ-IBGZPJMESA-N 0 3 402.438 3.620 20 5 HHBDHN COC(=O)COc1ccc(CN2C[C@H](c3ccc(F)cc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000475717987 996320783 /nfs/dbraw/zinc/32/07/83/996320783.db2.gz XFBKBSCVHKPWSY-WMLDXEAASA-N 0 3 402.422 3.664 20 5 HHBDHN COc1c(C(=O)N(CCN2CCCC2)Cc2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000475756587 996351910 /nfs/dbraw/zinc/35/19/10/996351910.db2.gz RFSGWRYLBJKTFH-UHFFFAOYSA-N 0 3 417.893 3.995 20 5 HHBDHN CC(C)Oc1ccc([C@@H](CNC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)N(C)C)cc1 ZINC000483909281 996463546 /nfs/dbraw/zinc/46/35/46/996463546.db2.gz YHLYSPDZNQANSE-LJQANCHMSA-N 0 3 404.442 3.946 20 5 HHBDHN CC(C)Oc1ccc([C@H](CNC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)N(C)C)cc1 ZINC000483909280 996463605 /nfs/dbraw/zinc/46/36/05/996463605.db2.gz YHLYSPDZNQANSE-IBGZPJMESA-N 0 3 404.442 3.946 20 5 HHBDHN CSc1cccc(N(C(=O)COc2ccc([N+](=O)[O-])cc2)C2CCN(C)CC2)c1 ZINC000484408972 996752373 /nfs/dbraw/zinc/75/23/73/996752373.db2.gz VZZQPDUYAIFTLJ-UHFFFAOYSA-N 0 3 415.515 3.823 20 5 HHBDHN CC(C)c1n[n-]c(C(=O)NC[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1[N+](=O)[O-] ZINC000476977566 997597706 /nfs/dbraw/zinc/59/77/06/997597706.db2.gz AGJGDRWJMNBMQB-YVEFUNNKSA-N 0 3 423.876 3.657 20 5 HHBDHN CC(C)c1n[n-]c(C(=O)NC[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1[N+](=O)[O-] ZINC000476977566 997597724 /nfs/dbraw/zinc/59/77/24/997597724.db2.gz AGJGDRWJMNBMQB-YVEFUNNKSA-N 0 3 423.876 3.657 20 5 HHBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000477933633 998666168 /nfs/dbraw/zinc/66/61/68/998666168.db2.gz TWFGBWTXLIEUSR-QZTJIDSGSA-N 0 3 417.506 3.995 20 5 HHBDHN CCN1CCN(Cc2ccc(NC(=O)c3cccc(SC)c3[N+](=O)[O-])cc2)CC1 ZINC000486478337 998787344 /nfs/dbraw/zinc/78/73/44/998787344.db2.gz KVCFPMDLUSNYGB-UHFFFAOYSA-N 0 3 414.531 3.707 20 5 HHBDHN CCN(CC)[C@H](CNC(=O)NCc1cccc([N+](=O)[O-])c1C)c1cccc(OC)c1 ZINC000478288328 998866688 /nfs/dbraw/zinc/86/66/88/998866688.db2.gz XNUSCDSLZBHMDP-OAQYLSRUSA-N 0 3 414.506 3.794 20 5 HHBDHN CCN(C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000487671772 999248772 /nfs/dbraw/zinc/24/87/72/999248772.db2.gz DBJHMLIAMCGKOA-MAUKXSAKSA-N 0 3 411.458 3.621 20 5 HHBDHN COc1cccc(CN(CCN(C)C)C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000479698303 999543245 /nfs/dbraw/zinc/54/32/45/999543245.db2.gz CCMGPTJMDARUGE-KRWDZBQOSA-N 0 3 414.506 3.746 20 5 HHBDHN CN1CCC(Oc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3C(F)(F)F)cn2)CC1 ZINC000489000136 999668543 /nfs/dbraw/zinc/66/85/43/999668543.db2.gz IQWOFUMQYBRYQJ-UHFFFAOYSA-N 0 3 424.379 3.734 20 5 HHBDHN O=[N+]([O-])c1ccn(C2CCN(C[C@@H](O)COc3ccc(-c4ccccc4)cc3)CC2)n1 ZINC000489016090 999672532 /nfs/dbraw/zinc/67/25/32/999672532.db2.gz CMHYJALBQBFHRR-OAQYLSRUSA-N 0 3 422.485 3.535 20 5 HHBDHN COc1ccc(NC(=O)NC[C@@H](c2ccc(OC(C)C)cc2)N(C)C)cc1[N+](=O)[O-] ZINC000480317674 999770052 /nfs/dbraw/zinc/77/00/52/999770052.db2.gz HVPJQSIZLAXSOQ-IBGZPJMESA-N 0 3 416.478 3.815 20 5 HHBDHN O=[N+]([O-])c1ccccc1C[C@H](NCc1nnc2ccc(C(F)(F)F)cn21)C1CC1 ZINC000480456591 999803469 /nfs/dbraw/zinc/80/34/69/999803469.db2.gz YZAFACIKVDSUKV-HNNXBMFYSA-N 0 3 405.380 3.767 20 5 HHBDHN CCOC(=O)c1cc(NC2CC(N3CCC(C(F)(F)F)CC3)C2)ccc1[N+](=O)[O-] ZINC000480558631 999826340 /nfs/dbraw/zinc/82/63/40/999826340.db2.gz VLBWFCGKDZARLJ-UHFFFAOYSA-N 0 3 415.412 3.989 20 5 HHBDHN CCC[C@@H](NCc1ccc(C(=O)N2CCN(C)CC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000480630705 999845500 /nfs/dbraw/zinc/84/55/00/999845500.db2.gz NFHHRXHGKBOQJH-JOCHJYFZSA-N 0 3 410.518 3.613 20 5 HHBDHN CC(C)N1CCN(c2ccc(C(=O)N(Cc3ccc([N+](=O)[O-])cc3)C3CC3)cc2)CC1 ZINC000490400274 999951571 /nfs/dbraw/zinc/95/15/71/999951571.db2.gz NDQSVFTZYGVXRF-UHFFFAOYSA-N 0 3 422.529 3.930 20 5 HHBDHN CCCOc1cc(NC(=O)N2CC[C@H]3CCN(C)C[C@@H]32)c([N+](=O)[O-])cc1OCCC ZINC000490790741 1000006450 /nfs/dbraw/zinc/00/64/50/1000006450.db2.gz FSXMTSOITRDYAT-QAPCUYQASA-N 0 3 420.510 3.730 20 5 HHBDHN CCCOc1cc(NC(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)c([N+](=O)[O-])cc1OCCC ZINC000490790743 1000006519 /nfs/dbraw/zinc/00/65/19/1000006519.db2.gz FSXMTSOITRDYAT-YJBOKZPZSA-N 0 3 420.510 3.730 20 5 HHBDHN C[C@H]1C[C@H](NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CN1Cc1ccccc1 ZINC000491322896 1000065197 /nfs/dbraw/zinc/06/51/97/1000065197.db2.gz LQEDYMYZTOVWQW-PXNSSMCTSA-N 0 3 408.502 3.932 20 5 HHBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC(OCCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000492913124 1000149376 /nfs/dbraw/zinc/14/93/76/1000149376.db2.gz RCXCHHMSCGTOHH-OTWHNJEPSA-N 0 3 405.539 3.554 20 5 HHBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC(OCCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000492912923 1000149395 /nfs/dbraw/zinc/14/93/95/1000149395.db2.gz RCXCHHMSCGTOHH-FHWLQOOXSA-N 0 3 405.539 3.554 20 5 HHBDHN CCOc1ccc([C@@H](C)N[C@@H]2CCN(C(=O)CCc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000504912283 1000443817 /nfs/dbraw/zinc/44/38/17/1000443817.db2.gz TWQPJSBPZMWQEE-YLJYHZDGSA-N 0 3 411.502 3.878 20 5 HHBDHN C[C@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1)[C@@H](c1ccccc1)N(C)C ZINC000505573269 1000913712 /nfs/dbraw/zinc/91/37/12/1000913712.db2.gz AZYDATLKKNOWIG-SJCJKPOMSA-N 0 3 406.280 3.779 20 5 HHBDHN C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)[C@H](c1ccccc1)N(C)C ZINC000505581223 1000919184 /nfs/dbraw/zinc/91/91/84/1000919184.db2.gz LOXBBSGIACEYPC-ORAYPTAESA-N 0 3 420.307 3.707 20 5 HHBDHN CN1CCC[C@@]2(CCN(C(=O)c3cc(F)cc4c(=O)c5cccc(F)c5[nH]c34)C2)C1 ZINC000505607955 1000932222 /nfs/dbraw/zinc/93/22/22/1000932222.db2.gz NOKNBTZECFZMGD-HSZRJFAPSA-N 0 3 411.452 3.517 20 5 HHBDHN Cn1cc(CN2CCC(C(=O)Nc3ccccc3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000506741940 1001510760 /nfs/dbraw/zinc/51/07/60/1001510760.db2.gz DCTIWVDAYYTERZ-UHFFFAOYSA-N 0 3 419.485 3.846 20 5 HHBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N(CCN(C)C)Cc2ccc(F)cc2F)c1 ZINC000497888923 1001551956 /nfs/dbraw/zinc/55/19/56/1001551956.db2.gz HBIXCTQAORCAGL-UHFFFAOYSA-N 0 3 409.458 3.799 20 5 HHBDHN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])NC[C@@H](c1cccs1)N1CCCC1 ZINC000498110828 1001645204 /nfs/dbraw/zinc/64/52/04/1001645204.db2.gz FFAXQXIRFMKIDR-KRWDZBQOSA-N 0 3 422.938 3.989 20 5 HHBDHN O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCCN(CCCc2ccccc2)CC1 ZINC000498274301 1001748061 /nfs/dbraw/zinc/74/80/61/1001748061.db2.gz AQJZNMQAQZNENO-UHFFFAOYSA-N 0 3 418.497 3.924 20 5 HHBDHN CS(=O)(=O)NCC[C@H]1CCCCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000507316792 1001996231 /nfs/dbraw/zinc/99/62/31/1001996231.db2.gz HRDFRPZOVAAOCF-MRXNPFEDSA-N 0 3 423.560 3.617 20 5 HHBDHN COc1ccc([C@H](CN2CCCC2)NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)cc1 ZINC000500424889 1003708311 /nfs/dbraw/zinc/70/83/11/1003708311.db2.gz MZPGGZJILKMYPZ-NRFANRHFSA-N 0 3 422.485 3.511 20 5 HHBDHN CCN(CC)[C@@H](CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)c1cccc(OC)c1 ZINC000512076143 1004003551 /nfs/dbraw/zinc/00/35/51/1004003551.db2.gz LGUXKIJDPRZXPE-FQEVSTJZSA-N 0 3 410.474 3.898 20 5 HHBDHN C[C@H](NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@H](c1ccccc1)N(C)C ZINC000501247162 1004311424 /nfs/dbraw/zinc/31/14/24/1004311424.db2.gz INKLXLDVXRMHIS-IFXJQAMLSA-N 0 3 404.898 3.781 20 5 HHBDHN O=C(NC[C@@H]1CCCN1Cc1ccccc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000513302239 1004903059 /nfs/dbraw/zinc/90/30/59/1004903059.db2.gz SZBLPHFHWVHWBR-FQEVSTJZSA-N 0 3 408.502 3.589 20 5 HHBDHN Cc1c(NC(=O)CCN2CCCN(c3ccccc3F)CC2)cccc1[N+](=O)[O-] ZINC000513371711 1004931100 /nfs/dbraw/zinc/93/11/00/1004931100.db2.gz PXTYOZVUWVFJPU-UHFFFAOYSA-N 0 3 400.454 3.583 20 5 HHBDHN O=C(N[C@H](CN1CCCC1)c1ccccc1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000514159968 1005293881 /nfs/dbraw/zinc/29/38/81/1005293881.db2.gz JFODYCYUDLRYKQ-MRXNPFEDSA-N 0 3 405.401 3.763 20 5 HHBDHN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H](Cn1ccccc1=O)c1ccccc1 ZINC000503940604 1005516082 /nfs/dbraw/zinc/51/60/82/1005516082.db2.gz AZLAZVFIWJGGHZ-LAUBAEHRSA-N 0 3 420.469 3.505 20 5 HHBDHN CCOc1cc(NC(=O)NC[C@@H](c2ccccc2)N(C)C)c([N+](=O)[O-])cc1OCC ZINC000514543196 1006029405 /nfs/dbraw/zinc/02/94/05/1006029405.db2.gz STGBEFBDSCUMSU-SFHVURJKSA-N 0 3 416.478 3.817 20 5 HHBDHN COc1cc(C[NH2+]C[C@@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)c([N+](=O)[O-])cc1[O-] ZINC000534239802 1006245216 /nfs/dbraw/zinc/24/52/16/1006245216.db2.gz GMBZOLYLUSMDDK-RNODOKPDSA-N 0 3 423.872 3.884 20 5 HHBDHN CCN1CCN(c2ccc(NC(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)c(C)c2)CC1 ZINC000534250105 1006257154 /nfs/dbraw/zinc/25/71/54/1006257154.db2.gz VDGKYHCWKZXSLS-UHFFFAOYSA-N 0 3 407.474 3.779 20 5 HHBDHN CCOc1ccc([C@H](C)N[C@H](C)[C@H]2CN(Cc3ccccc3)CCO2)cc1[N+](=O)[O-] ZINC000534329308 1006302169 /nfs/dbraw/zinc/30/21/69/1006302169.db2.gz XWODQJKXNKGIQQ-YZZKKUAISA-N 0 3 413.518 3.934 20 5 HHBDHN CC(C)N1CCN([C@H]2CCN(C(=O)c3cc4ccccc4c4cccnc34)C2)CC1 ZINC000532093504 1006628223 /nfs/dbraw/zinc/62/82/23/1006628223.db2.gz OJKTUKSFMAPSMX-FQEVSTJZSA-N 0 3 402.542 3.629 20 5 HHBDHN COc1cc(CNCCn2cc([N+](=O)[O-])cn2)ccc1OCc1ccc(Cl)cc1 ZINC000532866062 1007254420 /nfs/dbraw/zinc/25/44/20/1007254420.db2.gz OAGGCXHRIZCPDF-UHFFFAOYSA-N 0 3 416.865 3.822 20 5 HHBDHN CCN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)Cc1ccc(OC)cc1OC ZINC000532935268 1007307716 /nfs/dbraw/zinc/30/77/16/1007307716.db2.gz TYUGKRZLKPSQKN-UHFFFAOYSA-N 0 3 401.463 3.771 20 5 HHBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[C@H](c3nc4ccccc4s3)C2)c1 ZINC000533012217 1007375732 /nfs/dbraw/zinc/37/57/32/1007375732.db2.gz MPWFHFILFLVCSK-DOTOQJQBSA-N 0 3 413.499 3.824 20 5 HHBDHN Cc1ccccc1CN1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000533215841 1007541247 /nfs/dbraw/zinc/54/12/47/1007541247.db2.gz XSCZMYRQBOGRHV-UHFFFAOYSA-N 0 3 406.486 3.919 20 5 HHBDHN Cc1ccc(NC(=O)NC[C@@H]2CCCN(CCOc3ccccc3[N+](=O)[O-])C2)cc1 ZINC000533364649 1007671571 /nfs/dbraw/zinc/67/15/71/1007671571.db2.gz WCXSEUVAWOMLCG-SFHVURJKSA-N 0 3 412.490 3.816 20 5 HHBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N[C@H](C)c1cccc(N2CCCC2)c1 ZINC000539379511 1007684711 /nfs/dbraw/zinc/68/47/11/1007684711.db2.gz DZJVHEFLUHKQRG-HZPDHXFCSA-N 0 3 412.490 3.881 20 5 HHBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3ccc(OCc4cccnc4)cc3)C2)nc1 ZINC000533381024 1007693198 /nfs/dbraw/zinc/69/31/98/1007693198.db2.gz ULHPEYMSUDTOQY-IBGZPJMESA-N 0 3 405.458 3.650 20 5 HHBDHN O=[N+]([O-])c1ccc(-c2ccc(CNCCN3CCN(c4ccccc4)CC3)o2)cc1 ZINC000517540784 1007756379 /nfs/dbraw/zinc/75/63/79/1007756379.db2.gz MYKJBRCZCLBONV-UHFFFAOYSA-N 0 3 406.486 3.767 20 5 HHBDHN Cn1ccnc1COc1ccc(CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000533446834 1007761668 /nfs/dbraw/zinc/76/16/68/1007761668.db2.gz JTYSLXRIECXEHI-UHFFFAOYSA-N 0 3 422.485 3.951 20 5 HHBDHN O=C(NC[C@H]1CCCN(CCOc2cccc([N+](=O)[O-])c2)C1)Nc1cccc(F)c1 ZINC000533508026 1007824198 /nfs/dbraw/zinc/82/41/98/1007824198.db2.gz NUQHPWMZCXENLH-MRXNPFEDSA-N 0 3 416.453 3.646 20 5 HHBDHN C[C@H]1CCCN(c2ccc(C(=O)N3CC[C@@H](N4CCCCC4)C3)cc2[N+](=O)[O-])C1 ZINC000518620658 1008368405 /nfs/dbraw/zinc/36/84/05/1008368405.db2.gz VVCSOWKXGWFGDC-PKOBYXMFSA-N 0 3 400.523 3.532 20 5 HHBDHN O=C(CN[C@H](c1ccc(F)cc1)C1CCCC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000540408938 1008420825 /nfs/dbraw/zinc/42/08/25/1008420825.db2.gz LWHTVJLHVFSNOW-NRFANRHFSA-N 0 3 415.421 3.922 20 5 HHBDHN COCCN1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)CC1 ZINC000543539033 1009130460 /nfs/dbraw/zinc/13/04/60/1009130460.db2.gz YGATXWQXPIHHJL-UHFFFAOYSA-N 0 3 421.563 3.718 20 5 HHBDHN CN(C)C[C@@H](NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000549615786 1009243397 /nfs/dbraw/zinc/24/33/97/1009243397.db2.gz GNGNCSQPQKCDTR-CQSZACIVSA-N 0 3 413.808 3.882 20 5 HHBDHN CN(C)C[C@@H](NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)c1ccc(Cl)cc1 ZINC000549616430 1009244681 /nfs/dbraw/zinc/24/46/81/1009244681.db2.gz BUNPYDVHCQTLSW-GOSISDBHSA-N 0 3 400.866 3.622 20 5 HHBDHN CCN(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000546225723 1009253195 /nfs/dbraw/zinc/25/31/95/1009253195.db2.gz UZYIIWUSONCNJV-HXUWFJFHSA-N 0 3 407.474 3.741 20 5 HHBDHN C[C@@H](Cn1ccnc1)NCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000520207896 1009342198 /nfs/dbraw/zinc/34/21/98/1009342198.db2.gz PVUWPLIWYDBYRZ-LBPRGKRZSA-N 0 3 405.252 3.992 20 5 HHBDHN CN(C)CCN(Cc1ccco1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000544404500 1010023978 /nfs/dbraw/zinc/02/39/78/1010023978.db2.gz BPONNUPXHCRBFF-UHFFFAOYSA-N 0 3 400.357 3.802 20 5 HHBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCCN(C)Cc1ccccc1 ZINC000550559027 1010027035 /nfs/dbraw/zinc/02/70/35/1010027035.db2.gz CURPYRCQRMVOGP-UHFFFAOYSA-N 0 3 406.280 3.528 20 5 HHBDHN COc1ccc([C@@H](CN2CCCC2)NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000544538929 1010168233 /nfs/dbraw/zinc/16/82/33/1010168233.db2.gz ZVJMYTOTLZWDME-QVKFZJNVSA-N 0 3 415.465 3.799 20 5 HHBDHN CCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCN(Cc2ccccc2)C1 ZINC000544895824 1010472353 /nfs/dbraw/zinc/47/23/53/1010472353.db2.gz RLODFVDLPBNKLJ-SFHVURJKSA-N 0 3 416.909 3.783 20 5 HHBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000522915612 1011362371 /nfs/dbraw/zinc/36/23/71/1011362371.db2.gz PBXTWSFYDDKYOY-UHFFFAOYSA-N 0 3 417.893 3.830 20 5 HHBDHN COc1ccc([C@@H](CN(C)C)NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1 ZINC000551793596 1011953599 /nfs/dbraw/zinc/95/35/99/1011953599.db2.gz NJWPCZNIDSPFKY-QGZVFWFLSA-N 0 3 411.380 3.655 20 5 HHBDHN Cc1ccc([C@H](C)NC[C@@H](O)COc2ccccc2Br)cc1[N+](=O)[O-] ZINC000536848774 1012079244 /nfs/dbraw/zinc/07/92/44/1012079244.db2.gz ZXCZDIFQOMWHEX-DZGCQCFKSA-N 0 3 409.280 3.756 20 5 HHBDHN Cc1c(CNC(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)cccc1[N+](=O)[O-] ZINC000552188165 1012200635 /nfs/dbraw/zinc/20/06/35/1012200635.db2.gz GKIQHLIGZJKOPN-SFHVURJKSA-N 0 3 403.429 3.677 20 5 HHBDHN COc1ccc2oc([C@H](C)NC[C@H](O)COc3cccc([N+](=O)[O-])c3)c(C)c2c1 ZINC000541652563 1012475335 /nfs/dbraw/zinc/47/53/35/1012475335.db2.gz XPXBQVDMTIEDIT-HOCLYGCPSA-N 0 3 400.431 3.749 20 5 HHBDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000537262932 1012714245 /nfs/dbraw/zinc/71/42/45/1012714245.db2.gz JLRNSEZMNQMUBQ-LAUBAEHRSA-N 0 3 416.481 3.907 20 5 HHBDHN COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@H]2C)cc1SC ZINC000571714337 1072701302 /nfs/dbraw/zinc/70/13/02/1072701302.db2.gz QTVATUJYDNRIEC-YOEHRIQHSA-N 0 3 415.515 3.718 20 5 HHBDHN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCCN2c3ccccc3C[C@H]2C1 ZINC000574202669 1075174374 /nfs/dbraw/zinc/17/43/74/1075174374.db2.gz KKEUPUJZISKVKM-BEFAXECRSA-N 0 3 405.458 3.843 20 5 HHBDHN O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC001164627210 719067889 /nfs/dbraw/zinc/06/78/89/719067889.db2.gz PWKRWBLEKOVMLE-KBPBESRZSA-N 0 3 408.289 3.792 20 5 HHBDHN O=[N+]([O-])c1ccc2c(c1)ncnc2N1CCC[C@]2(CCN2Cc2cccc(F)c2)C1 ZINC001164994808 722198268 /nfs/dbraw/zinc/19/82/68/722198268.db2.gz PVCGEIDACBSJPA-QFIPXVFZSA-N 0 3 407.449 3.922 20 5 HHBDHN COc1cc(CN2CC[C@@H](Nc3ccc([N+](=O)[O-])c4cccnc34)C2)cc(OC)c1 ZINC000301588573 970992601 /nfs/dbraw/zinc/99/26/01/970992601.db2.gz XPUVUEYCWKHTFQ-MRXNPFEDSA-N 0 3 408.458 3.847 20 5 HHBDHN C[C@H]1CCN(c2ncc(Br)cc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000301689605 971028791 /nfs/dbraw/zinc/02/87/91/971028791.db2.gz MYKVKZAVTWVDIX-AWEZNQCLSA-N 0 3 405.296 3.853 20 5 HHBDHN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCc1cccc(CN2CCCCCC2)c1 ZINC000302591584 971260042 /nfs/dbraw/zinc/26/00/42/971260042.db2.gz AENRTNHBPJNKGI-UHFFFAOYSA-N 0 3 417.531 3.986 20 5 HHBDHN Cc1ccc2c(c1)[nH]cc2C1=CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000542212531 1013159031 /nfs/dbraw/zinc/15/90/31/1013159031.db2.gz OVUSOMPANQXONR-SFHVURJKSA-N 0 3 407.470 3.914 20 5 HHBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3CCN(C[C@H]4CCOC4)CC3)o2)c(Cl)c1 ZINC000537619416 1013162166 /nfs/dbraw/zinc/16/21/66/1013162166.db2.gz BYSMMCIREARYTE-OAHLLOKOSA-N 0 3 405.882 3.662 20 5 HHBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000303827752 972363752 /nfs/dbraw/zinc/36/37/52/972363752.db2.gz QHFBLGPEPNPXFS-PKOBYXMFSA-N 0 3 417.531 3.577 20 5 HHBDHN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H](c2cccs2)N2CCC(C)CC2)n1 ZINC000553251893 1013218394 /nfs/dbraw/zinc/21/83/94/1013218394.db2.gz OFWRXDWYDRJDPW-MRXNPFEDSA-N 0 3 404.492 3.723 20 5 HHBDHN CC[C@](C)(COc1ncccc1Cl)NCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000537681708 1013242184 /nfs/dbraw/zinc/24/21/84/1013242184.db2.gz UFRLUHZNJVHOOK-LJQANCHMSA-N 0 3 406.870 3.727 20 5 HHBDHN CCN1CCN(c2ccc(NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])c(C)c2)CC1 ZINC000025185003 964203226 /nfs/dbraw/zinc/20/32/26/964203226.db2.gz JNCLSTIQNPRFNX-UHFFFAOYSA-N 0 3 402.882 3.951 20 5 HHBDHN CN1CCN(CCCNc2ccc([N+](=O)[O-])c3cnccc23)[C@@H](c2ccccc2)C1 ZINC000025571005 964308567 /nfs/dbraw/zinc/30/85/67/964308567.db2.gz YEHXYHRQABJEQE-HSZRJFAPSA-N 0 3 405.502 3.934 20 5 HHBDHN O=C(CN[C@H](Cc1ccccc1)c1ccccc1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000026923641 964723731 /nfs/dbraw/zinc/72/37/31/964723731.db2.gz CDIFGQXWIUTLCC-GOSISDBHSA-N 0 3 419.437 3.836 20 5 HHBDHN O=[N+]([O-])c1ccc(NCCCN2CCN(Cc3ccccc3)CC2)c2ccncc21 ZINC000029170812 965294757 /nfs/dbraw/zinc/29/47/57/965294757.db2.gz NXECAUZVBPDYBK-UHFFFAOYSA-N 0 3 405.502 3.763 20 5 HHBDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000054227814 965436323 /nfs/dbraw/zinc/43/63/23/965436323.db2.gz CNIIQKDRINMRTB-APWZRJJASA-N 0 3 419.485 3.561 20 5 HHBDHN CCN(CC)[C@H](CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)c1cccc(OC)c1 ZINC000041846012 966649320 /nfs/dbraw/zinc/64/93/20/966649320.db2.gz BOGKAOHZBLGQJH-OAQYLSRUSA-N 0 3 410.474 3.898 20 5 HHBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000062368037 966650394 /nfs/dbraw/zinc/65/03/94/966650394.db2.gz GTXAQHQGNZQPEF-UHFFFAOYSA-N 0 3 406.870 3.853 20 5 HHBDHN CCCC[C@H](NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc(OC)cc1 ZINC000538205107 1013759065 /nfs/dbraw/zinc/75/90/65/1013759065.db2.gz OUDVCWKHMOMRLX-INIZCTEOSA-N 0 3 415.446 3.792 20 5 HHBDHN Cc1c(NC(=O)CCN[C@@H](C)c2cccc(N3CCCC3=O)c2)cccc1[N+](=O)[O-] ZINC000538210986 1013764411 /nfs/dbraw/zinc/76/44/11/1013764411.db2.gz PGWPKFJTVSCCLB-INIZCTEOSA-N 0 3 410.474 3.709 20 5 HHBDHN Cc1nn(Cc2ccc(C(=O)Nc3cccc(CN(C)C)c3)cc2)c(C)c1[N+](=O)[O-] ZINC000047453518 968201039 /nfs/dbraw/zinc/20/10/39/968201039.db2.gz JRPBTTWIEJJYTR-UHFFFAOYSA-N 0 3 407.474 3.770 20 5 HHBDHN CCC[C@@H](N[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1)c1cccc([N+](=O)[O-])c1 ZINC000554091105 1013794352 /nfs/dbraw/zinc/79/43/52/1013794352.db2.gz BFLXHJDFGRORGQ-SJLPKXTDSA-N 0 3 423.560 3.940 20 5 HHBDHN CCc1ccc([C@@H](CNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)N(C)C)cc1 ZINC000069233307 968822328 /nfs/dbraw/zinc/82/23/28/968822328.db2.gz HVPSPZAMQXUPGT-JOCHJYFZSA-N 0 3 410.518 3.790 20 5 HHBDHN CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000554218343 1013858988 /nfs/dbraw/zinc/85/89/88/1013858988.db2.gz NEWUHKVYWQVGDQ-SFHVURJKSA-N 0 3 402.520 3.677 20 5 HHBDHN COc1cc(CNC[C@@H]2CCC[C@@H](O)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000237246100 970247971 /nfs/dbraw/zinc/24/79/71/970247971.db2.gz BMRPLTMQFMHKSL-IEBWSBKVSA-N 0 3 400.475 3.823 20 5 HHBDHN COc1cc(CN[C@H]2C[C@](C)(OC)C2(C)C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000237249015 970248804 /nfs/dbraw/zinc/24/88/04/970248804.db2.gz KXBXDEUTHFKUKH-RDJZCZTQSA-N 0 3 406.401 3.838 20 5 HHBDHN COc1cc(CNC[C@H]2CCC[C@H](O)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000237282210 970255185 /nfs/dbraw/zinc/25/51/85/970255185.db2.gz BMRPLTMQFMHKSL-HKUYNNGSSA-N 0 3 400.475 3.823 20 5 HHBDHN O=[N+]([O-])c1cc(CNC[C@@H]2CCS(=O)(=O)C2)ccc1Oc1ccccc1Cl ZINC000237930237 970396455 /nfs/dbraw/zinc/39/64/55/970396455.db2.gz XNDZFJUMMCGFGH-AWEZNQCLSA-N 0 3 410.879 3.565 20 5 HHBDHN O=[N+]([O-])c1cc(CNC[C@H]2CCS(=O)(=O)C2)ccc1Oc1ccccc1Cl ZINC000237930299 970396976 /nfs/dbraw/zinc/39/69/76/970396976.db2.gz XNDZFJUMMCGFGH-CQSZACIVSA-N 0 3 410.879 3.565 20 5 HHBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000248088763 970507700 /nfs/dbraw/zinc/50/77/00/970507700.db2.gz BSEIGOYYIISQMD-OAHLLOKOSA-N 0 3 403.504 3.791 20 5 HHBDHN CCc1ccc(C(=O)N2CCC(CCN3C[C@H](C)O[C@@H](C)C3)CC2)cc1[N+](=O)[O-] ZINC000427342972 975066219 /nfs/dbraw/zinc/06/62/19/975066219.db2.gz UDSQUOXEDFKFRW-IRXDYDNUSA-N 0 3 403.523 3.509 20 5 HHBDHN COc1cc(Br)ccc1CN[C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000427893126 975335636 /nfs/dbraw/zinc/33/56/36/975335636.db2.gz OEOAJWXWJZVNJL-LBPRGKRZSA-N 0 3 422.279 3.873 20 5 HHBDHN O=[N+]([O-])c1ccc(CNC[C@@H](CO)Cc2cccc(Br)c2)c(Cl)c1 ZINC000428540191 975842765 /nfs/dbraw/zinc/84/27/65/975842765.db2.gz ULFDZPHUQUSHFY-ZDUSSCGKSA-N 0 3 413.699 3.952 20 5 HHBDHN Cc1c(NC(=O)N2CCC(CCN3C[C@H](C)O[C@@H](C)C3)CC2)cccc1[N+](=O)[O-] ZINC000429224558 976517664 /nfs/dbraw/zinc/51/76/64/976517664.db2.gz XUAJWZPFFWNXFP-HOTGVXAUSA-N 0 3 404.511 3.646 20 5 HHBDHN Cc1noc(C[C@H](N[C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)c2ccccc2)n1 ZINC000429470948 976738390 /nfs/dbraw/zinc/73/83/90/976738390.db2.gz OARKHVUTNHSLQN-LIRRHRJNSA-N 0 3 409.446 3.577 20 5 HHBDHN CCO[C@@H]1C[C@H](N[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C12CCCCC2 ZINC000429787027 977067829 /nfs/dbraw/zinc/06/78/29/977067829.db2.gz MKHMDWBKBWTJEF-MDASCCDHSA-N 0 3 405.495 3.648 20 5 HHBDHN CCO[C@@H]1C[C@H](N[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C12CCCCC2 ZINC000429787034 977067891 /nfs/dbraw/zinc/06/78/91/977067891.db2.gz MKHMDWBKBWTJEF-ZOCIIQOWSA-N 0 3 405.495 3.648 20 5 HHBDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000429870592 977145227 /nfs/dbraw/zinc/14/52/27/977145227.db2.gz JBVJLVLHYKTHST-BBRMVZONSA-N 0 3 418.291 3.923 20 5 HHBDHN COc1cc(NC2CCN(CCOc3cccc([N+](=O)[O-])c3)CC2)cc(OC)c1 ZINC000431001816 977946788 /nfs/dbraw/zinc/94/67/88/977946788.db2.gz LJIJNDRQHDCXJJ-UHFFFAOYSA-N 0 3 401.463 3.567 20 5 HHBDHN COC[C@H](NCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCO1 ZINC000433199341 979136470 /nfs/dbraw/zinc/13/64/70/979136470.db2.gz LBAUYXBTAMFWRR-VXKWHMMOSA-N 0 3 422.485 3.731 20 5 HHBDHN CC1(C)C[C@H](NCc2ccc(N3CCCS3(=O)=O)cc2)c2cc([N+](=O)[O-])ccc21 ZINC000433236770 979167946 /nfs/dbraw/zinc/16/79/46/979167946.db2.gz RYEZHCWSLKRONT-FQEVSTJZSA-N 0 3 415.515 3.647 20 5 HHBDHN COc1cc(NC2CCN(CCOc3ccc(F)cc3)CC2)c([N+](=O)[O-])cc1F ZINC000433434694 979303237 /nfs/dbraw/zinc/30/32/37/979303237.db2.gz FENKTFPJHTUIEH-UHFFFAOYSA-N 0 3 407.417 3.837 20 5 HHBDHN Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2F)n([C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000435283377 980758475 /nfs/dbraw/zinc/75/84/75/980758475.db2.gz XGHFDCJUVCEOKM-GOSISDBHSA-N 0 3 423.448 3.938 20 5 HHBDHN Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)n([C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000435302173 980768143 /nfs/dbraw/zinc/76/81/43/980768143.db2.gz LITAYRVIIQSMOC-FQEVSTJZSA-N 0 3 405.458 3.799 20 5 HHBDHN O=C(Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000435370077 980819490 /nfs/dbraw/zinc/81/94/90/980819490.db2.gz HOQRWVHRAXAWLZ-SFHVURJKSA-N 0 3 409.421 3.630 20 5 HHBDHN O=C(Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000435378275 980826972 /nfs/dbraw/zinc/82/69/72/980826972.db2.gz HVZBVIPVCRBDQS-KRWDZBQOSA-N 0 3 409.421 3.630 20 5 HHBDHN COc1cccc(C(=O)N[C@H](CN2CCc3ccccc3C2)C(C)(C)C)c1[N+](=O)[O-] ZINC000435567872 980944732 /nfs/dbraw/zinc/94/47/32/980944732.db2.gz RQMHUNKKFVHZAN-HXUWFJFHSA-N 0 3 411.502 3.806 20 5 HHBDHN COc1cccc(C(=O)N[C@@H](CN2CCc3ccccc3C2)C(C)(C)C)c1[N+](=O)[O-] ZINC000435567870 980944867 /nfs/dbraw/zinc/94/48/67/980944867.db2.gz RQMHUNKKFVHZAN-FQEVSTJZSA-N 0 3 411.502 3.806 20 5 HHBDHN O=C([C@@H]1CC[C@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1)N1CCCC1 ZINC000435746533 981013758 /nfs/dbraw/zinc/01/37/58/981013758.db2.gz YHNPIANWSWYFJI-CVEARBPZSA-N 0 3 400.504 3.599 20 5 HHBDHN C[C@H](NC[C@@H](O)COc1cc(F)cc(Br)c1)c1cccc([N+](=O)[O-])c1 ZINC000439440602 983410356 /nfs/dbraw/zinc/41/03/56/983410356.db2.gz OMROPVGXIPIXRF-MEDUHNTESA-N 0 3 413.243 3.587 20 5 HHBDHN COc1ccc(OCCN2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)c([N+](=O)[O-])c1 ZINC000439734551 983519330 /nfs/dbraw/zinc/51/93/30/983519330.db2.gz QXYXXMLEIWZUHN-UHFFFAOYSA-N 0 3 423.473 3.647 20 5 HHBDHN C[C@H](c1ccncc1)N1CCC(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 ZINC000439757392 983526800 /nfs/dbraw/zinc/52/68/00/983526800.db2.gz GPBFUODZWDMZRY-QGZVFWFLSA-N 0 3 423.517 3.545 20 5 HHBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000439772109 983532801 /nfs/dbraw/zinc/53/28/01/983532801.db2.gz VTZJVWCLUSHKKG-JKSUJKDBSA-N 0 3 414.531 3.812 20 5 HHBDHN C[C@H](Nc1ccc(C(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000440912833 983968873 /nfs/dbraw/zinc/96/88/73/983968873.db2.gz OWEAKGHTQXCCCK-YQQAZPJKSA-N 0 3 409.490 3.518 20 5 HHBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000462444086 985409694 /nfs/dbraw/zinc/40/96/94/985409694.db2.gz JLKXQICSUIFPLE-SFHVURJKSA-N 0 3 405.564 3.641 20 5 HHBDHN C[C@@H](NC[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccc(Br)s1 ZINC000443344832 985509501 /nfs/dbraw/zinc/50/95/01/985509501.db2.gz SAFUHLKDBXWANQ-MNOVXSKESA-N 0 3 401.282 3.509 20 5 HHBDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000463271679 986238736 /nfs/dbraw/zinc/23/87/36/986238736.db2.gz HIXKGIAEKKQCSE-VGSWGCGISA-N 0 3 408.502 3.789 20 5 HHBDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000463276434 986243426 /nfs/dbraw/zinc/24/34/26/986243426.db2.gz PDWVQXPJZPIYLV-DYESRHJHSA-N 0 3 408.502 3.789 20 5 HHBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCc1cccc(NC(=O)Cn2cccn2)c1 ZINC000468653518 986365810 /nfs/dbraw/zinc/36/58/10/986365810.db2.gz WNMCLLIDBZVTPD-GZTJUZNOSA-N 0 3 405.458 3.623 20 5 HHBDHN C[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br)N(C)Cc1ccccc1 ZINC000445778478 987840972 /nfs/dbraw/zinc/84/09/72/987840972.db2.gz YFAJHRDYIBVJTP-AWEZNQCLSA-N 0 3 420.307 3.537 20 5 HHBDHN CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000470593789 988608683 /nfs/dbraw/zinc/60/86/83/988608683.db2.gz DOFWLAGPYDNIRZ-OAQYLSRUSA-N 0 3 422.485 3.735 20 5 HHBDHN Cc1c(NC(=O)[C@@H](C)N2CC[C@@H](C)N(Cc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000464832848 989073103 /nfs/dbraw/zinc/07/31/03/989073103.db2.gz DFOHWNWRUJJLMJ-IEBWSBKVSA-N 0 3 410.518 3.827 20 5 HHBDHN COc1cc(C(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000471557913 989758515 /nfs/dbraw/zinc/75/85/15/989758515.db2.gz YLTPINLQCJHJTO-KPZWWZAWSA-N 0 3 423.416 3.626 20 5 HHBDHN C[C@H](NC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000471653123 989857002 /nfs/dbraw/zinc/85/70/02/989857002.db2.gz MPRJCRWCCPZXIG-VWDMACCTSA-N 0 3 414.428 3.760 20 5 HHBDHN CCN1CCN(c2cccc(NC(=O)[C@H](C)Sc3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000471656950 989859890 /nfs/dbraw/zinc/85/98/90/989859890.db2.gz VHWVQQGOCRTDIL-INIZCTEOSA-N 0 3 414.531 3.856 20 5 HHBDHN COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)cc1SC ZINC000467047990 992357397 /nfs/dbraw/zinc/35/73/97/992357397.db2.gz SXCCIDMDBRCCAF-ZBFHGGJFSA-N 0 3 415.515 3.718 20 5 HHBDHN C[C@@H]1C[C@H](NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CN1Cc1ccccc1 ZINC000467691103 992946650 /nfs/dbraw/zinc/94/66/50/992946650.db2.gz LXGKCMPGTWJEAG-NQIIRXRSSA-N 0 3 422.529 3.590 20 5 HHBDHN Cc1c(NC(=O)CCN2CCCC[C@@H]2CNC(=O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000472297435 993311463 /nfs/dbraw/zinc/31/14/63/993311463.db2.gz QXCVGUOCIFPXQO-LJQANCHMSA-N 0 3 424.501 3.516 20 5 HHBDHN CCN1CCN(c2cccc(NCc3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000472621407 993566284 /nfs/dbraw/zinc/56/62/84/993566284.db2.gz XIUCTCOBHHJJFE-UHFFFAOYSA-N 0 3 420.517 3.749 20 5 HHBDHN O=C(NC[C@@H]1CCN(Cc2ccccc2)C1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000473313324 994174021 /nfs/dbraw/zinc/17/40/21/994174021.db2.gz WXSHCZWDUNEUQD-IBGZPJMESA-N 0 3 411.505 3.933 20 5 HHBDHN CC(C)(C(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000473530056 994387675 /nfs/dbraw/zinc/38/76/75/994387675.db2.gz WZHUJBVFXRUOJW-UHFFFAOYSA-N 0 3 413.440 3.794 20 5 HHBDHN CC(C)C[C@H]1OCCC[C@@H]1NCC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000481762343 994615616 /nfs/dbraw/zinc/61/56/16/994615616.db2.gz SGNQUVLTMPKBAM-FUHWJXTLSA-N 0 3 418.519 3.840 20 5 HHBDHN COC(=O)COc1ccc(CN[C@@H](c2ccc(F)c(C)c2)C2CC2)cc1[N+](=O)[O-] ZINC000473983607 994970562 /nfs/dbraw/zinc/97/05/62/994970562.db2.gz MMDBUKFVEKGJLR-OAQYLSRUSA-N 0 3 402.422 3.835 20 5 HHBDHN CC(C)[C@H](CN(C)Cc1ccccc1)NCc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000482150782 995103952 /nfs/dbraw/zinc/10/39/52/995103952.db2.gz MBXIPOKUAUPDOS-FQEVSTJZSA-N 0 3 409.490 3.891 20 5 HHBDHN CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)C[C@H]1N1CCCC1 ZINC000483374463 996135742 /nfs/dbraw/zinc/13/57/42/996135742.db2.gz AKOVLPFCXQUQID-MJGOQNOKSA-N 0 3 423.604 3.995 20 5 HHBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000475567590 996222657 /nfs/dbraw/zinc/22/26/57/996222657.db2.gz DGTDUFZBVDBLOV-IAGOWNOFSA-N 0 3 404.511 3.565 20 5 HHBDHN CC[C@@H](C)N[C@H](CNC(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1C)c1ccco1 ZINC000483548326 996244214 /nfs/dbraw/zinc/24/42/14/996244214.db2.gz KQRGEDAOWVNYHW-MLGOLLRUSA-N 0 3 418.450 3.534 20 5 HHBDHN CSc1cccc(N(C(=O)COc2ccccc2[N+](=O)[O-])C2CCN(C)CC2)c1 ZINC000484408362 996752041 /nfs/dbraw/zinc/75/20/41/996752041.db2.gz UPEXMOINQXCQNB-UHFFFAOYSA-N 0 3 415.515 3.823 20 5 HHBDHN O=C(NC[C@@H]1CCCN1Cc1ccccc1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000485632344 998077614 /nfs/dbraw/zinc/07/76/14/998077614.db2.gz RODJPWTUFLQMIS-INIZCTEOSA-N 0 3 405.401 3.591 20 5 HHBDHN O=C(Nc1cccc(CN2CCC(CO)CC2)c1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000477728908 998459993 /nfs/dbraw/zinc/45/99/93/998459993.db2.gz ALTXCCYBRUQCCU-UHFFFAOYSA-N 0 3 408.458 3.533 20 5 HHBDHN Cc1ccc([C@@H](CNC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)N2CCCC2)cc1 ZINC000486674732 998888001 /nfs/dbraw/zinc/88/80/01/998888001.db2.gz JNJHIVYJVJTCTN-JOCHJYFZSA-N 0 3 419.485 3.656 20 5 HHBDHN COc1cccc(CN(CCN(C)C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000478779318 999137051 /nfs/dbraw/zinc/13/70/51/999137051.db2.gz IVCACRACFFDZBQ-UHFFFAOYSA-N 0 3 406.870 3.853 20 5 HHBDHN COc1cccc(C2=CCN(CCC(=O)Nc3ccc(OC)cc3[N+](=O)[O-])CC2)c1 ZINC000479886401 999636911 /nfs/dbraw/zinc/63/69/11/999636911.db2.gz MUHSQEJHZZLIMJ-UHFFFAOYSA-N 0 3 411.458 3.730 20 5 HHBDHN CCN1CCN(Cc2ccccc2CNc2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000480399155 999789693 /nfs/dbraw/zinc/78/96/93/999789693.db2.gz VKXUEAMOOLVTMW-UHFFFAOYSA-N 0 3 405.502 3.893 20 5 HHBDHN CC[C@@H](NC(=O)N(CCN(C)C)Cc1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000489952902 999868654 /nfs/dbraw/zinc/86/86/54/999868654.db2.gz KPIQYJSYQRCJRW-HXUWFJFHSA-N 0 3 402.470 3.958 20 5 HHBDHN COc1cc(C(=O)NCCN2CCCC2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000493461784 1000174985 /nfs/dbraw/zinc/17/49/85/1000174985.db2.gz OXQAPHPRVAZXAB-UHFFFAOYSA-N 0 3 419.865 3.875 20 5 HHBDHN O=[N+]([O-])c1cccc([C@H](NC[C@H]2C[C@H](O)CN2Cc2ccccc2)c2ccccc2)c1 ZINC000494969375 1000757010 /nfs/dbraw/zinc/75/70/10/1000757010.db2.gz MBPCARREFBOVJL-DSNGMDLFSA-N 0 3 417.509 3.909 20 5 HHBDHN C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)[C@@H](c1ccccc1)N(C)C ZINC000505581222 1000919341 /nfs/dbraw/zinc/91/93/41/1000919341.db2.gz LOXBBSGIACEYPC-DJJJIMSYSA-N 0 3 420.307 3.707 20 5 HHBDHN COc1cc(CN[C@@](C)(CO)C2CCCCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000505611470 1000934038 /nfs/dbraw/zinc/93/40/38/1000934038.db2.gz UUNDIIPDVLIWEP-IBGZPJMESA-N 0 3 402.438 3.668 20 5 HHBDHN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000505637103 1000947769 /nfs/dbraw/zinc/94/77/69/1000947769.db2.gz QUCWQAKKCGSVCG-CKFHNAJUSA-N 0 3 405.882 3.823 20 5 HHBDHN CC(C)c1n[nH]c(C(=O)N(CCN2CCCC2)Cc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000496803738 1001229992 /nfs/dbraw/zinc/22/99/92/1001229992.db2.gz PUOJGPRSWLEVJZ-UHFFFAOYSA-N 0 3 419.913 3.833 20 5 HHBDHN CN(C)[C@H](CNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)Cc1ccccc1 ZINC000497328845 1001294002 /nfs/dbraw/zinc/29/40/02/1001294002.db2.gz GWGRUMIIYCRFCI-SFHVURJKSA-N 0 3 410.499 3.621 20 5 HHBDHN CN(C)[C@H](CNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])c1ccccc1 ZINC000497386805 1001327459 /nfs/dbraw/zinc/32/74/59/1001327459.db2.gz MYVDOZZVXMOJAD-QGZVFWFLSA-N 0 3 411.380 3.569 20 5 HHBDHN C[C@@H]1C[C@@H](CCNc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])CN1Cc1ccccc1 ZINC000497539236 1001426234 /nfs/dbraw/zinc/42/62/34/1001426234.db2.gz BGPQMYGYROAFSD-SJLPKXTDSA-N 0 3 417.531 3.711 20 5 HHBDHN COc1ccc(-c2ccc(CN3CCC[C@@H](C(=O)NCC4CC4)C3)o2)c([N+](=O)[O-])c1 ZINC000507104436 1001811455 /nfs/dbraw/zinc/81/14/55/1001811455.db2.gz QWRVJIMGNIDGEZ-MRXNPFEDSA-N 0 3 413.474 3.602 20 5 HHBDHN O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCCN(CCCc2ccccc2)CC1 ZINC000507126842 1001824756 /nfs/dbraw/zinc/82/47/56/1001824756.db2.gz NASZRMIIXUGPIS-UHFFFAOYSA-N 0 3 413.543 3.854 20 5 HHBDHN CN(C)CCN(Cc1cccs1)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000498477246 1001904529 /nfs/dbraw/zinc/90/45/29/1001904529.db2.gz YMHNSKDYNYROAE-UHFFFAOYSA-N 0 3 410.927 3.626 20 5 HHBDHN CN(C)CCN(Cc1cccc(F)c1)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000498488892 1001914775 /nfs/dbraw/zinc/91/47/75/1001914775.db2.gz YMHJXIHVDDJSHM-UHFFFAOYSA-N 0 3 422.888 3.703 20 5 HHBDHN CS(=O)(=O)NCC[C@@H]1CCCCN1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000507315165 1001994301 /nfs/dbraw/zinc/99/43/01/1001994301.db2.gz CGACZQRKALLDSQ-HNNXBMFYSA-N 0 3 423.560 3.617 20 5 HHBDHN C[C@@H](NC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000507683456 1002276720 /nfs/dbraw/zinc/27/67/20/1002276720.db2.gz KHMXMPBNCHNLCG-BEFAXECRSA-N 0 3 403.429 3.929 20 5 HHBDHN CCN(CCCN1CCCC1)C(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000508220221 1002750040 /nfs/dbraw/zinc/75/00/40/1002750040.db2.gz SNDDTFJKLOJQHF-UHFFFAOYSA-N 0 3 413.468 3.908 20 5 HHBDHN COc1cc(C(=O)N[C@H](CN2CCc3ccccc3C2)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000508950140 1003405769 /nfs/dbraw/zinc/40/57/69/1003405769.db2.gz PWIILPXPURNWHA-OAQYLSRUSA-N 0 3 411.502 3.806 20 5 HHBDHN COc1ccc([C@@H](CN2CCCC2)NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)cc1 ZINC000500386157 1003682363 /nfs/dbraw/zinc/68/23/63/1003682363.db2.gz MWSAWXDGLYKHMF-LJQANCHMSA-N 0 3 408.458 3.652 20 5 HHBDHN O=[N+]([O-])c1ccc(-c2ccc(CNCCc3nnnn3-c3ccccc3)o2)c(Cl)c1 ZINC000509431500 1003857097 /nfs/dbraw/zinc/85/70/97/1003857097.db2.gz VPJWWWPORITHRV-UHFFFAOYSA-N 0 3 424.848 3.816 20 5 HHBDHN CC[C@H](C)N[C@@H](CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccco1 ZINC000509558486 1003944761 /nfs/dbraw/zinc/94/47/61/1003944761.db2.gz QXEVBFIJUCZERT-YJBOKZPZSA-N 0 3 400.479 3.991 20 5 HHBDHN COc1cc(CN2CCCCC[C@H]2C[C@@H](C)O)c([N+](=O)[O-])cc1OCC(F)F ZINC000512485875 1004337156 /nfs/dbraw/zinc/33/71/56/1004337156.db2.gz JGNSPPAZUMQLFB-HIFRSBDPSA-N 0 3 402.438 3.763 20 5 HHBDHN CCCNC(=O)[C@@H]1CCCN(Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C1 ZINC000512527400 1004362540 /nfs/dbraw/zinc/36/25/40/1004362540.db2.gz RNJACSOCJOVNLZ-OAHLLOKOSA-N 0 3 401.463 3.602 20 5 HHBDHN CC1(C)C[C@@H](N[C@H]2CCN(C(=O)COc3ccccc3)C2)c2cc([N+](=O)[O-])ccc21 ZINC000511055103 1004999286 /nfs/dbraw/zinc/99/92/86/1004999286.db2.gz VHPUAYOIMHQQFC-HRAATJIYSA-N 0 3 409.486 3.587 20 5 HHBDHN CCN1CCN(c2ccc(NC(=O)Nc3cc([N+](=O)[O-])ccc3OC)c(C)c2)CC1 ZINC000502334582 1005017964 /nfs/dbraw/zinc/01/79/64/1005017964.db2.gz FHFYECRHZGPPLV-UHFFFAOYSA-N 0 3 413.478 3.698 20 5 HHBDHN O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000513731498 1005100919 /nfs/dbraw/zinc/10/09/19/1005100919.db2.gz WWLOFOJMKJKTMN-UHFFFAOYSA-N 0 3 405.401 3.591 20 5 HHBDHN O=[N+]([O-])c1ccc(-c2noc(CN3C[C@H](c4ccccc4)[C@H]4COCC[C@H]43)n2)cc1 ZINC000511780642 1005323814 /nfs/dbraw/zinc/32/38/14/1005323814.db2.gz ITOSCMLXBIDQRD-VAMGGRTRSA-N 0 3 406.442 3.649 20 5 HHBDHN CN1CCCN([C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CC1 ZINC000514320023 1005336656 /nfs/dbraw/zinc/33/66/56/1005336656.db2.gz PWWHFUFHDJSHJP-IBGZPJMESA-N 0 3 402.882 3.566 20 5 HHBDHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H](Cn1ccccc1=O)c1ccccc1 ZINC000503906746 1005509035 /nfs/dbraw/zinc/50/90/35/1005509035.db2.gz AITJUEDETHLBJQ-UWJYYQICSA-N 0 3 420.469 3.505 20 5 HHBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H](Cn1ccccc1=O)c1ccccc1 ZINC000503906743 1005509076 /nfs/dbraw/zinc/50/90/76/1005509076.db2.gz AITJUEDETHLBJQ-DYESRHJHSA-N 0 3 420.469 3.505 20 5 HHBDHN CN(C)[C@@H](CNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000531095607 1005990329 /nfs/dbraw/zinc/99/03/29/1005990329.db2.gz GLQPEEDURCRWAN-IBGZPJMESA-N 0 3 402.882 3.855 20 5 HHBDHN O=[N+]([O-])c1ccc(-c2ccc(CNC[C@]3(O)CCSC3)o2)c(Br)c1 ZINC000531107933 1005997791 /nfs/dbraw/zinc/99/77/91/1005997791.db2.gz QNAAMZNEBJVKHO-MRXNPFEDSA-N 0 3 413.293 3.575 20 5 HHBDHN CN(C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@H]1CCN(Cc2ccccc2)C1 ZINC000514640971 1006068444 /nfs/dbraw/zinc/06/84/44/1006068444.db2.gz ZNWBKTXNPKNLCP-FQEVSTJZSA-N 0 3 421.501 3.535 20 5 HHBDHN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCCN(CC2CCCCC2)CC1 ZINC000516782978 1007287357 /nfs/dbraw/zinc/28/73/57/1007287357.db2.gz IZFWXAQTTBCBKX-UHFFFAOYSA-N 0 3 415.943 3.525 20 5 HHBDHN CCN(CCC(=O)Nc1cccc([N+](=O)[O-])c1C)Cc1ccc(OC)cc1OC ZINC000532934877 1007307415 /nfs/dbraw/zinc/30/74/15/1007307415.db2.gz AQBUDWJJGSBJGP-UHFFFAOYSA-N 0 3 401.463 3.771 20 5 HHBDHN CNc1ccc(C(=O)Nc2ccnn2[C@@H]2CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000532943055 1007313735 /nfs/dbraw/zinc/31/37/35/1007313735.db2.gz DKZZRZFDSBKTCA-GOSISDBHSA-N 0 3 420.473 3.532 20 5 HHBDHN Cc1ccc([C@@H](CNC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)N2CCCC2)cc1 ZINC000535291150 1007342131 /nfs/dbraw/zinc/34/21/31/1007342131.db2.gz ZOJTWZPJXYHZET-JOCHJYFZSA-N 0 3 408.502 3.808 20 5 HHBDHN CN1CC[C@H](NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)[C@H]1c1ccccc1 ZINC000535394600 1007460572 /nfs/dbraw/zinc/46/05/72/1007460572.db2.gz JOYPZNIFWANMLY-FCHUYYIVSA-N 0 3 424.501 3.593 20 5 HHBDHN COc1cc(C(=O)Nc2cc(C)cc(CN(C)C)c2)c([N+](=O)[O-])cc1OC(F)F ZINC000535416165 1007485129 /nfs/dbraw/zinc/48/51/29/1007485129.db2.gz DCYMZEIZQPBDMM-UHFFFAOYSA-N 0 3 409.389 3.827 20 5 HHBDHN Cc1ccc(NC(=O)NC[C@H]2CCCN(CCOc3ccccc3[N+](=O)[O-])C2)cc1 ZINC000533364648 1007670938 /nfs/dbraw/zinc/67/09/38/1007670938.db2.gz WCXSEUVAWOMLCG-GOSISDBHSA-N 0 3 412.490 3.816 20 5 HHBDHN O=C(NC[C@@H]1CCCN(CCOc2ccccc2[N+](=O)[O-])C1)Nc1cccc(F)c1 ZINC000533371679 1007681526 /nfs/dbraw/zinc/68/15/26/1007681526.db2.gz BERXWKAEBWQLMC-INIZCTEOSA-N 0 3 416.453 3.646 20 5 HHBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N[C@@H](C)c1cccc(N2CCCC2)c1 ZINC000539379512 1007684375 /nfs/dbraw/zinc/68/43/75/1007684375.db2.gz DZJVHEFLUHKQRG-JKSUJKDBSA-N 0 3 412.490 3.881 20 5 HHBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@H]1c1cccc2c1OCCO2 ZINC000533401227 1007712085 /nfs/dbraw/zinc/71/20/85/1007712085.db2.gz XVERNEHDSQFIRZ-IBGZPJMESA-N 0 3 411.458 3.840 20 5 HHBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000539448858 1007760918 /nfs/dbraw/zinc/76/09/18/1007760918.db2.gz IWTLXYZFSQSEAW-OAHLLOKOSA-N 0 3 403.504 3.697 20 5 HHBDHN COc1ccc([N+](=O)[O-])c(C(=O)N[C@H](CN2CCc3ccccc3C2)C(C)(C)C)c1 ZINC000517871839 1008023092 /nfs/dbraw/zinc/02/30/92/1008023092.db2.gz TZXJAEQHISJTFB-OAQYLSRUSA-N 0 3 411.502 3.806 20 5 HHBDHN CCN1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000536037416 1008070364 /nfs/dbraw/zinc/07/03/64/1008070364.db2.gz ZOUYTXXTYSAPBF-QGZVFWFLSA-N 0 3 401.438 3.566 20 5 HHBDHN COc1cc(CNC[C@@H](O)C2CCCCC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000518278928 1008236588 /nfs/dbraw/zinc/23/65/88/1008236588.db2.gz LOBORISESIURMS-OAHLLOKOSA-N 0 3 406.401 3.575 20 5 HHBDHN CC1CCN(c2ccc(C(=O)N3CC[C@@H](N4CCCCC4)C3)cc2[N+](=O)[O-])CC1 ZINC000518616379 1008366657 /nfs/dbraw/zinc/36/66/57/1008366657.db2.gz RWXLUBQWIVVBFZ-LJQANCHMSA-N 0 3 400.523 3.532 20 5 HHBDHN CCN1CCN(c2ccc(F)cc2[C@H](C)NCc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000540408375 1008420286 /nfs/dbraw/zinc/42/02/86/1008420286.db2.gz HXKCGIAWVVJLGR-HNNXBMFYSA-N 0 3 404.461 3.866 20 5 HHBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000540408238 1008420457 /nfs/dbraw/zinc/42/04/57/1008420457.db2.gz PYSRQZCRPKTGLK-INIZCTEOSA-N 0 3 410.474 3.709 20 5 HHBDHN CC(C)N1CC[C@@H](NCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(F)c(F)c1 ZINC000549118643 1008686023 /nfs/dbraw/zinc/68/60/23/1008686023.db2.gz WJMDGKOXPVITRV-NQIIRXRSSA-N 0 3 418.444 3.625 20 5 HHBDHN COc1cc(CN[C@@H](C)[C@H]2COc3ccccc32)c([N+](=O)[O-])cc1OCC(F)F ZINC000543553725 1009157655 /nfs/dbraw/zinc/15/76/55/1009157655.db2.gz VEXVPBFZENYMID-SWLSCSKDSA-N 0 3 408.401 3.902 20 5 HHBDHN C[C@H](CCc1ccc(Cl)s1)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000544574340 1010203209 /nfs/dbraw/zinc/20/32/09/1010203209.db2.gz ROOWRCWSWOZVKQ-GFCCVEGCSA-N 0 3 402.925 3.694 20 5 HHBDHN CC(C)(C)[C@H](O)C[C@H](CO)NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000551616368 1010699843 /nfs/dbraw/zinc/69/98/43/1010699843.db2.gz YWPSGRUIWUNOJJ-OXQOHEQNSA-N 0 3 406.454 3.774 20 5 HHBDHN COCCN1CCC[C@@H]1CNC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000522784253 1011218538 /nfs/dbraw/zinc/21/85/38/1011218538.db2.gz XAVVVWHAWFQOAL-GOSISDBHSA-N 0 3 414.462 3.619 20 5 HHBDHN CN1CC[C@H](NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000536261294 1011426001 /nfs/dbraw/zinc/42/60/01/1011426001.db2.gz BHBRQCSZVWTBPQ-JXFKEZNVSA-N 0 3 403.866 3.579 20 5 HHBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)nc1-c1ccccc1 ZINC000536389444 1011597296 /nfs/dbraw/zinc/59/72/96/1011597296.db2.gz ABGDGOCTQOXWHL-NHCUHLMSSA-N 0 3 418.497 3.952 20 5 HHBDHN COc1ccc(NC(=O)[C@H](C)N[C@@H](C)c2ccc(-n3ccnc3C)cc2)c([N+](=O)[O-])c1 ZINC000541023607 1011657803 /nfs/dbraw/zinc/65/78/03/1011657803.db2.gz DARCMBLABUOFQS-GJZGRUSLSA-N 0 3 423.473 3.775 20 5 HHBDHN CCOC(=O)COc1ccc(CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000536678997 1011841093 /nfs/dbraw/zinc/84/10/93/1011841093.db2.gz RGJPLXMLXCUQHC-UHFFFAOYSA-N 0 3 414.458 3.580 20 5 HHBDHN COc1ccc([C@H](CN(C)C)NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1 ZINC000551793594 1011953189 /nfs/dbraw/zinc/95/31/89/1011953189.db2.gz NJWPCZNIDSPFKY-KRWDZBQOSA-N 0 3 411.380 3.655 20 5 HHBDHN O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCN(c2ccnc3ccccc32)CC1 ZINC000552009013 1012047679 /nfs/dbraw/zinc/04/76/79/1012047679.db2.gz OIYMADHLGCBHDC-UHFFFAOYSA-N 0 3 401.426 3.587 20 5 HHBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000541352220 1012066342 /nfs/dbraw/zinc/06/63/42/1012066342.db2.gz NXVODRYFUHBCSW-HZPDHXFCSA-N 0 3 413.499 3.824 20 5 HHBDHN O=C(CN[C@H](c1cccc(F)c1)C1CCCC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000537130771 1012514591 /nfs/dbraw/zinc/51/45/91/1012514591.db2.gz YVMWQYSMTBBCMV-NRFANRHFSA-N 0 3 415.421 3.922 20 5 HHBDHN Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@@H]2NCCOc2ccc([N+](=O)[O-])cc2)cc1 ZINC000541743472 1012599632 /nfs/dbraw/zinc/59/96/32/1012599632.db2.gz JAVZMHNFNYPAEN-SFTDATJTSA-N 0 3 418.515 3.657 20 5 HHBDHN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H](CN1CCCC1)c1ccccc1 ZINC000523979378 1012726988 /nfs/dbraw/zinc/72/69/88/1012726988.db2.gz HHYFMKGNMOARTP-SFHVURJKSA-N 0 3 417.893 3.970 20 5 HHBDHN Nc1cc(NC[C@H]2CCCCN2Cc2cccc(Cl)c2)cc(CO)c1[N+](=O)[O-] ZINC000587974564 1072724644 /nfs/dbraw/zinc/72/46/44/1072724644.db2.gz IMLRLKOSXRPINY-GOSISDBHSA-N 0 3 404.898 3.789 20 5 HHBDHN Nc1cc(NC[C@@H]2CCCCN2Cc2cccc(Cl)c2)cc(CO)c1[N+](=O)[O-] ZINC000587974565 1072724728 /nfs/dbraw/zinc/72/47/28/1072724728.db2.gz IMLRLKOSXRPINY-SFHVURJKSA-N 0 3 404.898 3.789 20 5 HHBDHN Nc1ccc(-c2noc([C@H]3CN(Cc4ccccc4)CCC3(F)F)n2)cc1[N+](=O)[O-] ZINC000567276003 1072875553 /nfs/dbraw/zinc/87/55/53/1072875553.db2.gz PHPRHDHWKAVDJO-OAHLLOKOSA-N 0 3 415.400 3.852 20 5 HHBDHN CCOC(=O)c1nnc(-c2cccc(C[NH2+]CC(C)=Cc3cccc([N+](=O)[O-])c3)c2)[n-]1 ZINC000554879607 1072931653 /nfs/dbraw/zinc/93/16/53/1072931653.db2.gz WYYWGZFVMZXUKR-XNTDXEJSSA-N 0 3 421.457 3.750 20 5 HHBDHN CCOC(=O)c1nc(-c2cccc(C[NH2+]CC(C)=Cc3cccc([N+](=O)[O-])c3)c2)n[n-]1 ZINC000554879607 1072931656 /nfs/dbraw/zinc/93/16/56/1072931656.db2.gz WYYWGZFVMZXUKR-XNTDXEJSSA-N 0 3 421.457 3.750 20 5 HHBDHN CSc1ccc([C@@H](CNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])N(C)C)cc1 ZINC000555261895 1073294703 /nfs/dbraw/zinc/29/47/03/1073294703.db2.gz DFOWNBICHQIFLZ-HXUWFJFHSA-N 0 3 414.531 3.924 20 5 HHBDHN C[C@H]1[C@H](NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CCN1Cc1ccccc1 ZINC000574665916 1075300788 /nfs/dbraw/zinc/30/07/88/1075300788.db2.gz OQEYWPNVINBYJN-LAUBAEHRSA-N 0 3 408.502 3.932 20 5 HHBDHN Cc1cc(N2CC[C@H]3[C@@H]2CCN3Cc2cccnc2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164733360 720451461 /nfs/dbraw/zinc/45/14/61/720451461.db2.gz PIASNGPSRIUBTK-SFTDATJTSA-N 0 3 416.485 3.608 20 5 HHBDHN CN(c1ccc(Br)cc1[N+](=O)[O-])C1CCN(CCc2ccccn2)CC1 ZINC000301196508 970802036 /nfs/dbraw/zinc/80/20/36/970802036.db2.gz UORSPZMFCZGPBP-UHFFFAOYSA-N 0 3 419.323 3.896 20 5 HHBDHN Cc1c(CO)cc([N+](=O)[O-])c(NC[C@H]2CCCN(C)[C@@H]2c2cccs2)c1[N+](=O)[O-] ZINC000301402445 970910339 /nfs/dbraw/zinc/91/03/39/970910339.db2.gz CYBCJLWKMGDZDS-YJYMSZOUSA-N 0 3 420.491 3.860 20 5 HHBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC(c2nc3ccccc3s2)CC1 ZINC000542212633 1013160361 /nfs/dbraw/zinc/16/03/61/1013160361.db2.gz RNLXLXNKZPXUKL-INIZCTEOSA-N 0 3 413.499 3.824 20 5 HHBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000542278502 1013238704 /nfs/dbraw/zinc/23/87/04/1013238704.db2.gz VEVWTOIWOFGXKF-HOTGVXAUSA-N 0 3 417.531 3.549 20 5 HHBDHN CC(C)CN(C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)C1CCN(C)CC1 ZINC000051469441 964582525 /nfs/dbraw/zinc/58/25/25/964582525.db2.gz PQLSKGUZCYZUBS-UHFFFAOYSA-N 0 3 402.520 3.911 20 5 HHBDHN Cc1ccc(CN(CCN(C)C)C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)o1 ZINC000051469372 964582564 /nfs/dbraw/zinc/58/25/64/964582564.db2.gz JYBBDZXGYYMHQK-UHFFFAOYSA-N 0 3 414.487 3.824 20 5 HHBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000537952803 1013533485 /nfs/dbraw/zinc/53/34/85/1013533485.db2.gz UBUPFXWBGDYLLJ-PXAZEXFGSA-N 0 3 411.380 3.654 20 5 HHBDHN Cc1ccc([N-]S(=O)(=O)c2ccc(NCC[N@@H+](C)C3CC3)c([N+](=O)[O-])c2)c(C)c1 ZINC000060061454 966054917 /nfs/dbraw/zinc/05/49/17/966054917.db2.gz UMBJDUSVMQUXPQ-UHFFFAOYSA-N 0 3 418.519 3.519 20 5 HHBDHN Cc1ccc([N-]S(=O)(=O)c2ccc(NCC[N@H+](C)C3CC3)c([N+](=O)[O-])c2)c(C)c1 ZINC000060061454 966054929 /nfs/dbraw/zinc/05/49/29/966054929.db2.gz UMBJDUSVMQUXPQ-UHFFFAOYSA-N 0 3 418.519 3.519 20 5 HHBDHN CC[C@H](CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1)N1CCc2ccccc2C1 ZINC000032446668 966257068 /nfs/dbraw/zinc/25/70/68/966257068.db2.gz SOAMKRNBCWSAGI-OAQYLSRUSA-N 0 3 410.518 3.740 20 5 HHBDHN O=C(CCOc1ccccc1[N+](=O)[O-])Nc1ccc(CCN2CCSCC2)cc1 ZINC000061287490 966421009 /nfs/dbraw/zinc/42/10/09/966421009.db2.gz CRDJJBKNMKPKNF-UHFFFAOYSA-N 0 3 415.515 3.594 20 5 HHBDHN CCOc1ccc(C(=O)Nc2ccc(CCN3CCSCC3)cc2)cc1[N+](=O)[O-] ZINC000061288896 966422132 /nfs/dbraw/zinc/42/21/32/966422132.db2.gz USRYPOXJAINOPK-UHFFFAOYSA-N 0 3 415.515 3.837 20 5 HHBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N(CCN(C)C)Cc1ccc(Br)cc1 ZINC000063704065 966932823 /nfs/dbraw/zinc/93/28/23/966932823.db2.gz KKHITFROYSPYGM-UHFFFAOYSA-N 0 3 420.307 3.870 20 5 HHBDHN CCN1CCN(c2ccc(NC(=O)N(C)Cc3ccccc3[N+](=O)[O-])c(C)c2)CC1 ZINC000043522072 966991097 /nfs/dbraw/zinc/99/10/97/966991097.db2.gz FLBLXUIMVIEABQ-UHFFFAOYSA-N 0 3 411.506 3.709 20 5 HHBDHN CCN(CC)[C@H](CNC(=O)N(C)Cc1ccccc1[N+](=O)[O-])c1cccc(OC)c1 ZINC000045304672 967413748 /nfs/dbraw/zinc/41/37/48/967413748.db2.gz JDGDBYVLQCNOIK-OAQYLSRUSA-N 0 3 414.506 3.828 20 5 HHBDHN CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000065938283 968728466 /nfs/dbraw/zinc/72/84/66/968728466.db2.gz XCESIBWRBUQOOZ-UHFFFAOYSA-N 0 3 418.444 3.651 20 5 HHBDHN CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000065938885 968729154 /nfs/dbraw/zinc/72/91/54/968729154.db2.gz AQSWCECMHHLPAO-UHFFFAOYSA-N 0 3 413.371 3.957 20 5 HHBDHN CN(C)CCN(Cc1ccc(Br)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000072025407 968939570 /nfs/dbraw/zinc/93/95/70/968939570.db2.gz DDSREINQPCEKHW-UHFFFAOYSA-N 0 3 421.295 3.953 20 5 HHBDHN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CC[C@H](N3CCCC3)C2)cc1 ZINC000110514610 969680713 /nfs/dbraw/zinc/68/07/13/969680713.db2.gz SAQUDSXNGXDCAM-KRWDZBQOSA-N 0 3 411.458 3.706 20 5 HHBDHN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCC(C)(C)N[C@H](C)c2ccccc2)c1C ZINC000111049141 969766848 /nfs/dbraw/zinc/76/68/48/969766848.db2.gz AJKHRMDDUCDBTA-MRXNPFEDSA-N 0 3 405.520 3.619 20 5 HHBDHN CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000115926291 969862517 /nfs/dbraw/zinc/86/25/17/969862517.db2.gz PXNRXNJLRRETMV-UHFFFAOYSA-N 0 3 409.408 3.747 20 5 HHBDHN CCOc1ccc([C@@H](C)N[C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000554376453 1013925258 /nfs/dbraw/zinc/92/52/58/1013925258.db2.gz QUZSYRGJGLEKMK-UKRRQHHQSA-N 0 3 417.428 3.978 20 5 HHBDHN CC(C)(CCS(C)(=O)=O)NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000236591275 970143282 /nfs/dbraw/zinc/14/32/82/970143282.db2.gz IFOCYIAPABXZBA-UHFFFAOYSA-N 0 3 410.467 3.829 20 5 HHBDHN COc1cc(CN[C@H]2CCC[C@@]2(C)CO)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000237242144 970247830 /nfs/dbraw/zinc/24/78/30/970247830.db2.gz YNHGUIFPGQFWFN-VXKWHMMOSA-N 0 3 400.475 3.823 20 5 HHBDHN COc1cc(CNCCc2coc(-c3ccc(F)cc3)n2)c([N+](=O)[O-])cc1OC ZINC000237415260 970281033 /nfs/dbraw/zinc/28/10/33/970281033.db2.gz JSSOFVCPUNFSBY-UHFFFAOYSA-N 0 3 401.394 3.738 20 5 HHBDHN O=C1C[C@H](NCc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CN1C1CC1 ZINC000237733283 970349214 /nfs/dbraw/zinc/34/92/14/970349214.db2.gz YQOIJJUIXOANCJ-HNNXBMFYSA-N 0 3 401.850 3.893 20 5 HHBDHN O=C(c1ccoc1)N1CCC(NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000237916127 970394248 /nfs/dbraw/zinc/39/42/48/970394248.db2.gz OPVIYIDICKBYJM-UHFFFAOYSA-N 0 3 412.471 3.706 20 5 HHBDHN C[C@@H]1[C@@H](NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC000554642293 1013997991 /nfs/dbraw/zinc/99/79/91/1013997991.db2.gz ZRFNLKLZBQGJCZ-CJNGLKHVSA-N 0 3 405.401 3.589 20 5 HHBDHN CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000410056438 973541006 /nfs/dbraw/zinc/54/10/06/973541006.db2.gz YSRFDGHYHYYZSI-NRFANRHFSA-N 0 3 411.502 3.563 20 5 HHBDHN C[C@@H]1CN(CCC2CCN(c3ccc([N+](=O)[O-])c(OC(F)F)c3)CC2)C[C@H](C)O1 ZINC000426390923 974428333 /nfs/dbraw/zinc/42/83/33/974428333.db2.gz NCLSDNAIXJMZLP-GASCZTMLSA-N 0 3 413.465 3.912 20 5 HHBDHN C[C@@H]1CN(CCC2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CC2)C[C@H](C)O1 ZINC000426642297 974578574 /nfs/dbraw/zinc/57/85/74/974578574.db2.gz HIVKTTZRJZZVCT-GASCZTMLSA-N 0 3 424.929 3.991 20 5 HHBDHN CCc1ccc(C(=O)N2CCC(CCN3C[C@@H](C)O[C@H](C)C3)CC2)cc1[N+](=O)[O-] ZINC000427342971 975066302 /nfs/dbraw/zinc/06/63/02/975066302.db2.gz UDSQUOXEDFKFRW-IAGOWNOFSA-N 0 3 403.523 3.509 20 5 HHBDHN O=C(NC[C@H]1CCCCN1C1CC1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000427443828 975121173 /nfs/dbraw/zinc/12/11/73/975121173.db2.gz WYKSRSMBWNBDKS-LJQANCHMSA-N 0 3 409.486 3.921 20 5 HHBDHN O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CN[C@@H](CO)CC(F)F)cc1 ZINC000428656323 975956304 /nfs/dbraw/zinc/95/63/04/975956304.db2.gz PKVACWLTBDXXCE-MRXNPFEDSA-N 0 3 402.401 3.553 20 5 HHBDHN C[C@@H]1COCC[C@H]1N[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000432229632 978723415 /nfs/dbraw/zinc/72/34/15/978723415.db2.gz SMMSGJLFACLKJG-OMWUSAIZSA-N 0 3 403.866 3.943 20 5 HHBDHN O=[N+]([O-])c1ccc2c(c1NC1CCN(CCOc3ccc(F)cc3)CC1)CCN2 ZINC000436380413 981337952 /nfs/dbraw/zinc/33/79/52/981337952.db2.gz AYDWCPRFQCSJFX-UHFFFAOYSA-N 0 3 400.454 3.657 20 5 HHBDHN CN(C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000437094310 981757991 /nfs/dbraw/zinc/75/79/91/981757991.db2.gz VIBPQLRXGNTFPM-QGZVFWFLSA-N 0 3 407.392 3.960 20 5 HHBDHN C[C@@H]1CCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC000437461467 982093453 /nfs/dbraw/zinc/09/34/53/982093453.db2.gz VAAMJLGNXGIINW-LJQANCHMSA-N 0 3 422.529 3.932 20 5 HHBDHN O=C(CCCN1CCN(c2ccccc2)CC1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437461327 982093544 /nfs/dbraw/zinc/09/35/44/982093544.db2.gz KDJANXDXJILTNP-UHFFFAOYSA-N 0 3 422.529 3.688 20 5 HHBDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000462175463 985154253 /nfs/dbraw/zinc/15/42/53/985154253.db2.gz JWKGGXHFPQGHOR-GUYCJALGSA-N 0 3 407.392 3.864 20 5 HHBDHN COCCN1CCC[C@@H]1CNC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000442739416 985196155 /nfs/dbraw/zinc/19/61/55/985196155.db2.gz JWZMVFKHRMNWCV-MRXNPFEDSA-N 0 3 415.515 3.587 20 5 HHBDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000462806205 985737334 /nfs/dbraw/zinc/73/73/34/985737334.db2.gz GDHNWEWWKBNVCZ-XJKSGUPXSA-N 0 3 407.392 3.864 20 5 HHBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@@H]1CC(=O)c1cccs1 ZINC000468290465 985988341 /nfs/dbraw/zinc/98/83/41/985988341.db2.gz ODIAEHKOLULWEE-CQSZACIVSA-N 0 3 417.487 3.731 20 5 HHBDHN O=C(c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)N1CCC[C@@H](N2CCCC2)C1 ZINC000444007546 986203793 /nfs/dbraw/zinc/20/37/93/986203793.db2.gz FHOLMPKOFUCWMJ-OAHLLOKOSA-N 0 3 411.452 3.660 20 5 HHBDHN O=C(c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)N1CCC[C@H](N2CCCC2)C1 ZINC000444007544 986204164 /nfs/dbraw/zinc/20/41/64/986204164.db2.gz FHOLMPKOFUCWMJ-HNNXBMFYSA-N 0 3 411.452 3.660 20 5 HHBDHN C[C@@H]1C[C@@H](CCNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CN1Cc1ccccc1 ZINC000468715080 986429893 /nfs/dbraw/zinc/42/98/93/986429893.db2.gz NAIIKFCOHSTRLS-SJLPKXTDSA-N 0 3 417.531 3.711 20 5 HHBDHN CC(=Cc1cccc([N+](=O)[O-])c1)CNc1ccc2nc(CCN3CCOCC3)[nH]c2c1 ZINC000468747995 986461295 /nfs/dbraw/zinc/46/12/95/986461295.db2.gz HBXQTQXUCXDLKX-LGMDPLHJSA-N 0 3 421.501 3.861 20 5 HHBDHN CCS[C@@H]1CCCC[C@@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000469788112 987433778 /nfs/dbraw/zinc/43/37/78/987433778.db2.gz AAIBPZWFFVKREX-LSDHHAIUSA-N 0 3 416.341 3.950 20 5 HHBDHN CC(C)CN(C(=O)c1sc(Br)cc1[N+](=O)[O-])C1CCN(C)CC1 ZINC000464571270 988747838 /nfs/dbraw/zinc/74/78/38/988747838.db2.gz DGJBDWQEOTUESN-UHFFFAOYSA-N 0 3 404.330 3.611 20 5 HHBDHN C[C@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)[C@H](c1ccccc1)N(C)C ZINC000471572285 989773983 /nfs/dbraw/zinc/77/39/83/989773983.db2.gz GMPAXTARRVCMFX-HTAPYJJXSA-N 0 3 410.518 3.619 20 5 HHBDHN CCOC(=O)[C@@]1(COC)CCCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000467552213 992831978 /nfs/dbraw/zinc/83/19/78/992831978.db2.gz WBLWDYWCFQKBHX-NRFANRHFSA-N 0 3 402.447 3.647 20 5 HHBDHN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@H]2CN(C3CC3)C[C@H]2C)cc1 ZINC000467717541 992970920 /nfs/dbraw/zinc/97/09/20/992970920.db2.gz DBQHBPQSZFKYEX-VLIAUNLRSA-N 0 3 411.458 3.608 20 5 HHBDHN CC(C)c1ccc(C(=O)Nc2ccccc2CN2CCC[C@H](C(N)=O)C2)cc1[N+](=O)[O-] ZINC000467841288 993073521 /nfs/dbraw/zinc/07/35/21/993073521.db2.gz YUYXBPVHNBBDCG-SFHVURJKSA-N 0 3 424.501 3.668 20 5 HHBDHN COc1cc(CNCC2(CO)CCCC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000472162528 993211430 /nfs/dbraw/zinc/21/14/30/993211430.db2.gz VNCQMURFIWZQKF-UHFFFAOYSA-N 0 3 400.475 3.825 20 5 HHBDHN CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000472488066 993490123 /nfs/dbraw/zinc/49/01/23/993490123.db2.gz ORDLFTDDPLWDGP-SFHVURJKSA-N 0 3 416.909 3.783 20 5 HHBDHN COc1ccc(-c2ccncc2)cc1CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000482007388 994911969 /nfs/dbraw/zinc/91/19/69/994911969.db2.gz JRVKFNLEFGHGAL-LJQANCHMSA-N 0 3 405.458 3.747 20 5 HHBDHN COC(=O)COc1ccc(CNC2(c3ccc(F)cc3)CCCC2)cc1[N+](=O)[O-] ZINC000474359119 995339232 /nfs/dbraw/zinc/33/92/32/995339232.db2.gz VLDXJUJPBLTYKI-UHFFFAOYSA-N 0 3 402.422 3.845 20 5 HHBDHN CCO[C@@H]1C[C@H](NCc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)[C@H]1OC ZINC000482498748 995509595 /nfs/dbraw/zinc/50/95/95/995509595.db2.gz BUSDYFHJBLKZCH-QZNHQXDQSA-N 0 3 422.485 3.730 20 5 HHBDHN COc1cc(CNCC2(OC)CCC(C)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000475427761 996131716 /nfs/dbraw/zinc/13/17/16/996131716.db2.gz IQSQLFQTWUUIMD-UHFFFAOYSA-N 0 3 402.438 3.932 20 5 HHBDHN COC(=O)COc1ccc(CN2C[C@@H](c3ccc(F)cc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000475717985 996320984 /nfs/dbraw/zinc/32/09/84/996320984.db2.gz XFBKBSCVHKPWSY-PBHICJAKSA-N 0 3 402.422 3.664 20 5 HHBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H]1CCCC[C@H]1Oc1cccc(C)c1 ZINC000484640533 996975374 /nfs/dbraw/zinc/97/53/74/996975374.db2.gz HHDJEKSMJRRAJF-AZUAARDMSA-N 0 3 413.474 3.830 20 5 HHBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1CCCC[C@H]1Oc1ccccc1C ZINC000484660310 996998550 /nfs/dbraw/zinc/99/85/50/996998550.db2.gz ZNGZFSJSNHDCNB-YLJYHZDGSA-N 0 3 413.474 3.830 20 5 HHBDHN CSc1cccc(C(=O)NCC2(N3CCSCC3)CCCCC2)c1[N+](=O)[O-] ZINC000486225625 998660296 /nfs/dbraw/zinc/66/02/96/998660296.db2.gz LEHNAMAKCYWOHV-UHFFFAOYSA-N 0 3 409.577 3.798 20 5 HHBDHN CSc1cccc(C(=O)N(CCN(C)C)Cc2ccc(F)cc2F)c1[N+](=O)[O-] ZINC000486240459 998669708 /nfs/dbraw/zinc/66/97/08/998669708.db2.gz IGGWPSGUSKFHQX-UHFFFAOYSA-N 0 3 409.458 3.799 20 5 HHBDHN Cc1cccc(CN(CCN(C)C)C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1 ZINC000487560231 999213494 /nfs/dbraw/zinc/21/34/94/999213494.db2.gz UYILRIZYZGMIHF-UHFFFAOYSA-N 0 3 410.518 3.707 20 5 HHBDHN Cc1cccc(CN(CCN(C)C)C(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)c1 ZINC000487649708 999241811 /nfs/dbraw/zinc/24/18/11/999241811.db2.gz QPMWSQBXHABIQF-QGZVFWFLSA-N 0 3 401.532 3.974 20 5 HHBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000487956495 999327856 /nfs/dbraw/zinc/32/78/56/999327856.db2.gz NEBPUZBQZSQUOJ-PNHOKKKMSA-N 0 3 413.474 3.766 20 5 HHBDHN O=C(c1cc([N+](=O)[O-])ccc1NCc1ccccc1)N1CC[C@H](N2CCCCC2)C1 ZINC000488103422 999377347 /nfs/dbraw/zinc/37/73/47/999377347.db2.gz OUHAYYYLHNHRMB-FQEVSTJZSA-N 0 3 408.502 3.907 20 5 HHBDHN CCN(CC)[C@@H](CNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)c1ccsc1 ZINC000479744035 999568030 /nfs/dbraw/zinc/56/80/30/999568030.db2.gz KHYNUUKUJLBBFZ-IBGZPJMESA-N 0 3 413.503 3.655 20 5 HHBDHN COC[C@H](NCCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1ccc(Cl)cc1 ZINC000488696089 999577039 /nfs/dbraw/zinc/57/70/39/999577039.db2.gz JBXVGQKMXRBJJM-KRWDZBQOSA-N 0 3 407.854 3.563 20 5 HHBDHN COc1cc(CN[C@@H]2CCN(c3ccccc3C(F)(F)F)C2)c([N+](=O)[O-])cc1O ZINC000479877668 999633485 /nfs/dbraw/zinc/63/34/85/999633485.db2.gz WYPYFGVUADPHST-CYBMUJFWSA-N 0 3 411.380 3.696 20 5 HHBDHN Cc1ccc([C@@H](C)NC(=O)NCC2(N3CCSCC3)CCCC2)cc1[N+](=O)[O-] ZINC000489292961 999738731 /nfs/dbraw/zinc/73/87/31/999738731.db2.gz FLYYLQOVWPYGQP-MRXNPFEDSA-N 0 3 406.552 3.625 20 5 HHBDHN CN(C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)C1CCN(Cc2ccccc2)CC1 ZINC000489978604 999872223 /nfs/dbraw/zinc/87/22/23/999872223.db2.gz DWPBZCZQVFGEDU-UHFFFAOYSA-N 0 3 419.485 3.517 20 5 HHBDHN O=C1NC2(CCCC2)C(=O)N1CCCN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000491344272 1000066777 /nfs/dbraw/zinc/06/67/77/1000066777.db2.gz YIZBCUGQJQCELZ-HXUWFJFHSA-N 0 3 422.485 3.529 20 5 HHBDHN CN(C)[C@@H](CNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccccc1 ZINC000492078476 1000108597 /nfs/dbraw/zinc/10/85/97/1000108597.db2.gz GGKKVWNRAOWTSS-KRWDZBQOSA-N 0 3 410.396 3.716 20 5 HHBDHN CCN1CCN(c2ccc(F)cc2[C@H](C)NCc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000492835385 1000146009 /nfs/dbraw/zinc/14/60/09/1000146009.db2.gz TXGZJBBSWVBGGB-INIZCTEOSA-N 0 3 416.497 3.735 20 5 HHBDHN CC[C@H](NC(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000493133456 1000159136 /nfs/dbraw/zinc/15/91/36/1000159136.db2.gz PMDUXGRAHRAEGD-LZJOCLMNSA-N 0 3 418.538 3.577 20 5 HHBDHN C[C@@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Br)CCN1Cc1ccccc1 ZINC000494020224 1000271842 /nfs/dbraw/zinc/27/18/42/1000271842.db2.gz XUCMEQSPMUBVHG-ACJLOTCBSA-N 0 3 418.291 3.750 20 5 HHBDHN O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000494424731 1000485486 /nfs/dbraw/zinc/48/54/86/1000485486.db2.gz JOTILRKPPBBJDI-HXUWFJFHSA-N 0 3 408.502 3.933 20 5 HHBDHN COc1cc(CNCCc2cccc(F)c2F)c([N+](=O)[O-])cc1OCC(F)F ZINC000494694508 1000607572 /nfs/dbraw/zinc/60/75/72/1000607572.db2.gz AFSORWHSOOLCML-UHFFFAOYSA-N 0 3 402.344 3.858 20 5 HHBDHN CCN(Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C[C@H]1COc2ccccc2O1 ZINC000506806524 1001540407 /nfs/dbraw/zinc/54/04/07/1001540407.db2.gz QQZDGLUNCAELFR-IBGZPJMESA-N 0 3 408.458 3.657 20 5 HHBDHN CCN(CC)[C@H](CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)c1cccc(OC)c1 ZINC000497895711 1001554804 /nfs/dbraw/zinc/55/48/04/1001554804.db2.gz NCJQSYHKKAQDBX-OAQYLSRUSA-N 0 3 422.485 3.965 20 5 HHBDHN Cc1cccc(N2CCN(CCCCNC(=O)c3cc([N+](=O)[O-])ccc3C)CC2)c1 ZINC000497930150 1001569019 /nfs/dbraw/zinc/56/90/19/1001569019.db2.gz MUVLTQBNPAAHDB-UHFFFAOYSA-N 0 3 410.518 3.544 20 5 HHBDHN CCCCCNC(=O)C1CCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000506864312 1001571169 /nfs/dbraw/zinc/57/11/69/1001571169.db2.gz IWHRIMBFAKBUKK-UHFFFAOYSA-N 0 3 413.522 3.514 20 5 HHBDHN CN1CCC(N(Cc2ccco2)C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000498457104 1001884973 /nfs/dbraw/zinc/88/49/73/1001884973.db2.gz KOPIJRAFVLCAJX-UHFFFAOYSA-N 0 3 400.479 3.503 20 5 HHBDHN CN(C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCN(Cc2ccccc2)C1 ZINC000498466998 1001894953 /nfs/dbraw/zinc/89/49/53/1001894953.db2.gz QETHPUZEBBMBOJ-IBGZPJMESA-N 0 3 416.909 3.707 20 5 HHBDHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000498477975 1001905417 /nfs/dbraw/zinc/90/54/17/1001905417.db2.gz RGKPUUJHGHABOM-UHFFFAOYSA-N 0 3 422.888 3.703 20 5 HHBDHN CCCN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@@H](C)C(=O)Nc1ccccc1 ZINC000507372742 1002030520 /nfs/dbraw/zinc/03/05/20/1002030520.db2.gz UKHNYKSFYAUBHD-KRWDZBQOSA-N 0 3 412.490 3.971 20 5 HHBDHN COc1cccc(C2(F)CCN(CCC(=O)Nc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000500152103 1003508472 /nfs/dbraw/zinc/50/84/72/1003508472.db2.gz HRXDBSKQVLDUFY-UHFFFAOYSA-N 0 3 401.438 3.893 20 5 HHBDHN COc1ccc([C@H](CN2CCCC2)NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)cc1 ZINC000500404058 1003695532 /nfs/dbraw/zinc/69/55/32/1003695532.db2.gz CCPWLTZEEBYFGT-IBGZPJMESA-N 0 3 403.866 3.824 20 5 HHBDHN CN(C(=O)c1cc2cc([N+](=O)[O-])ccc2s1)C1CCN(CCc2ccccn2)CC1 ZINC000500759137 1003941045 /nfs/dbraw/zinc/94/10/45/1003941045.db2.gz XEZIMZVGGUWKDC-UHFFFAOYSA-N 0 3 424.526 3.984 20 5 HHBDHN C[C@@H](Nc1ccc(C(=O)N[C@@H](C)C2=CCN(C)CC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000512126552 1004041636 /nfs/dbraw/zinc/04/16/36/1004041636.db2.gz BLQYAUUXIUFGSP-JKSUJKDBSA-N 0 3 409.490 3.543 20 5 HHBDHN C[C@@H](Nc1ccc(C(=O)N[C@H](C)C2=CCN(C)CC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000512126551 1004041791 /nfs/dbraw/zinc/04/17/91/1004041791.db2.gz BLQYAUUXIUFGSP-HZPDHXFCSA-N 0 3 409.490 3.543 20 5 HHBDHN O=C(COc1ccccc1)N1CC[C@H](NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000509963287 1004234628 /nfs/dbraw/zinc/23/46/28/1004234628.db2.gz KTUQXMQHFRGIKX-KRWDZBQOSA-N 0 3 421.453 3.624 20 5 HHBDHN O=C(CCN[C@@H]1CCOc2c(Br)cccc21)Nc1ccc([N+](=O)[O-])cc1 ZINC000501506116 1004474901 /nfs/dbraw/zinc/47/49/01/1004474901.db2.gz VJSCOBACNMZHAZ-MRXNPFEDSA-N 0 3 420.263 3.799 20 5 HHBDHN C[C@@H]1CN(c2cccc3cnccc32)CCN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000501850510 1004775368 /nfs/dbraw/zinc/77/53/68/1004775368.db2.gz LDWKBDTZZGVGJQ-QGZVFWFLSA-N 0 3 419.485 3.682 20 5 HHBDHN O=[N+]([O-])c1ccc(NCc2ccccc2CN2CCN(c3ccccc3)CC2)cn1 ZINC000513164702 1004840077 /nfs/dbraw/zinc/84/00/77/1004840077.db2.gz JACVPHMIGAJBGA-UHFFFAOYSA-N 0 3 403.486 3.924 20 5 HHBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC([C@H](F)c2ccccc2F)CC1 ZINC000511127608 1005033367 /nfs/dbraw/zinc/03/33/67/1005033367.db2.gz WITVHGQMRFVPTD-IERDGZPVSA-N 0 3 406.429 3.896 20 5 HHBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H](Cn1ccccc1=O)c1ccccc1 ZINC000503940603 1005516077 /nfs/dbraw/zinc/51/60/77/1005516077.db2.gz AZLAZVFIWJGGHZ-DYESRHJHSA-N 0 3 420.469 3.505 20 5 HHBDHN CN1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cn2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000531882266 1006496715 /nfs/dbraw/zinc/49/67/15/1006496715.db2.gz ZCQXMQWZZPCXPQ-KDOFPFPSSA-N 0 3 422.407 3.822 20 5 HHBDHN CN1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cn2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000531882268 1006496897 /nfs/dbraw/zinc/49/68/97/1006496897.db2.gz ZCQXMQWZZPCXPQ-RDTXWAMCSA-N 0 3 422.407 3.822 20 5 HHBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1ccc(CS(=O)(=O)NC(C)C)cc1 ZINC000531951867 1006541529 /nfs/dbraw/zinc/54/15/29/1006541529.db2.gz YLSXTMYBCRAWLX-MRXNPFEDSA-N 0 3 405.520 3.582 20 5 HHBDHN C[C@@H]1C[C@H](CCNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CN1Cc1ccccc1 ZINC000538764636 1007050160 /nfs/dbraw/zinc/05/01/60/1007050160.db2.gz RAJXZSLKTDHFSJ-ZBFHGGJFSA-N 0 3 423.560 3.772 20 5 HHBDHN Cc1occc1C(=O)NC1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000532941524 1007311974 /nfs/dbraw/zinc/31/19/74/1007311974.db2.gz QABPEOKRUMLJDY-UHFFFAOYSA-N 0 3 424.457 3.588 20 5 HHBDHN C[C@H](NCCS(=O)(=O)NC(C)(C)C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000539042286 1007339996 /nfs/dbraw/zinc/33/99/96/1007339996.db2.gz YOONNMRLUVYZLG-ZDUSSCGKSA-N 0 3 411.549 3.692 20 5 HHBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC(Oc2ccc(C)cc2)CC1 ZINC000532974841 1007345301 /nfs/dbraw/zinc/34/53/01/1007345301.db2.gz FOZXTMGIAUMSAK-UHFFFAOYSA-N 0 3 413.474 3.784 20 5 HHBDHN Cc1c([C@@H](C)NC[C@@H](O)COc2ccccc2Br)cccc1[N+](=O)[O-] ZINC000539056567 1007352137 /nfs/dbraw/zinc/35/21/37/1007352137.db2.gz PTPVJJOCWFVLGK-ZIAGYGMSSA-N 0 3 409.280 3.756 20 5 HHBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3c(-c4ccccc4)nc4ccccn43)C2)nc1 ZINC000533058805 1007421436 /nfs/dbraw/zinc/42/14/36/1007421436.db2.gz OABUZFWLBZYJGR-SFHVURJKSA-N 0 3 414.469 3.991 20 5 HHBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN(Cc1cccs1)C[C@H]1CCCO1 ZINC000533234068 1007555833 /nfs/dbraw/zinc/55/58/33/1007555833.db2.gz XMQOAFLSTKIKNG-MRXNPFEDSA-N 0 3 417.487 3.636 20 5 HHBDHN Cc1ccc(NC(=O)NC[C@@H]2CCCN(CCOc3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000533365473 1007673390 /nfs/dbraw/zinc/67/33/90/1007673390.db2.gz BGQUWNUQIOXZOU-SFHVURJKSA-N 0 3 412.490 3.816 20 5 HHBDHN C[C@@H]1CN(C(=O)c2ccc(CNC/C=C\c3ccccc3[N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000539475481 1007786938 /nfs/dbraw/zinc/78/69/38/1007786938.db2.gz RKLNYFYDUDLZHA-ITQAEIPNSA-N 0 3 409.486 3.647 20 5 HHBDHN Cc1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)c(CN(C)C)c1 ZINC000539666089 1007985149 /nfs/dbraw/zinc/98/51/49/1007985149.db2.gz IZLCAYVNAHMFNT-UHFFFAOYSA-N 0 3 406.280 3.909 20 5 HHBDHN O=[N+]([O-])c1cc(CN2CCN(C[C@@H]3CCOC3)CC2)ccc1Oc1ccc(F)cc1 ZINC000539823081 1008117116 /nfs/dbraw/zinc/11/71/16/1008117116.db2.gz PCKDIHLSNFLJON-SFHVURJKSA-N 0 3 415.465 3.680 20 5 HHBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3cccc(OCc4ccccn4)c3)C2)nc1 ZINC000539835751 1008128446 /nfs/dbraw/zinc/12/84/46/1008128446.db2.gz RTFUIBBSJOZGIW-SFHVURJKSA-N 0 3 405.458 3.650 20 5 HHBDHN C[C@@H]([NH2+]C1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CCCC1)c1ccccc1 ZINC000518844669 1008442185 /nfs/dbraw/zinc/44/21/85/1008442185.db2.gz HIVYYNQXJZNZHK-CQSZACIVSA-N 0 3 409.533 3.598 20 5 HHBDHN CCc1ccc([C@H](CNC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])N(C)C)cc1 ZINC000519054634 1008512773 /nfs/dbraw/zinc/51/27/73/1008512773.db2.gz PQVKEFIIHURGIW-KUHUBIRLSA-N 0 3 419.909 3.997 20 5 HHBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCCN(C)[C@H]2c2cccs2)c1 ZINC000549301208 1008875637 /nfs/dbraw/zinc/87/56/37/1008875637.db2.gz UDBVFJQVHJZBMX-IFXJQAMLSA-N 0 3 403.504 3.868 20 5 HHBDHN C[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C)c1nc2ccccc2s1 ZINC000543599153 1009204422 /nfs/dbraw/zinc/20/44/22/1009204422.db2.gz QIYOJSUCOVQGLS-ZIAGYGMSSA-N 0 3 419.528 3.760 20 5 HHBDHN C[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H](C)c1nc2ccccc2s1 ZINC000543599149 1009204497 /nfs/dbraw/zinc/20/44/97/1009204497.db2.gz QIYOJSUCOVQGLS-KBPBESRZSA-N 0 3 419.528 3.760 20 5 HHBDHN C[C@@H]1C[C@@H](NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CN1Cc1ccccc1 ZINC000543785375 1009354943 /nfs/dbraw/zinc/35/49/43/1009354943.db2.gz TVYRRFHXNOEPJN-CZUORRHYSA-N 0 3 405.401 3.589 20 5 HHBDHN C[C@@H]1C[C@H](NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CN1Cc1ccccc1 ZINC000543785374 1009355245 /nfs/dbraw/zinc/35/52/45/1009355245.db2.gz TVYRRFHXNOEPJN-CJNGLKHVSA-N 0 3 405.401 3.589 20 5 HHBDHN C[C@H](Cc1ccc(C(F)(F)F)cc1)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000544574014 1010203428 /nfs/dbraw/zinc/20/34/28/1010203428.db2.gz GJEOBBOGVUXAQT-CYBMUJFWSA-N 0 3 416.421 3.608 20 5 HHBDHN CN(c1ccccc1)c1ccc(CN[C@@H](CO)C[C@H](O)C(C)(C)C)cc1[N+](=O)[O-] ZINC000551230347 1010452583 /nfs/dbraw/zinc/45/25/83/1010452583.db2.gz XTUDACBEOWYXOQ-UTKZUKDTSA-N 0 3 401.507 3.610 20 5 HHBDHN CN1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H]1Cc1ccccc1 ZINC000551401442 1010562364 /nfs/dbraw/zinc/56/23/64/1010562364.db2.gz FYVYYRVIPBWDMH-OAQYLSRUSA-N 0 3 406.486 3.651 20 5 HHBDHN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(CCN(C)C)Cc1ccccc1F ZINC000522177723 1010849144 /nfs/dbraw/zinc/84/91/44/1010849144.db2.gz DUZGLSBENYEMJJ-AWEZNQCLSA-N 0 3 423.872 3.745 20 5 HHBDHN CC(=O)N1CC[C@H](NCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000540628558 1011276746 /nfs/dbraw/zinc/27/67/46/1011276746.db2.gz RBOLOBZULUMZLG-FQEVSTJZSA-N 0 3 405.458 3.583 20 5 HHBDHN Cc1cccc(N2CCN(CCCCNc3ncc([N+](=O)[O-])cc3Cl)CC2)c1 ZINC000522936175 1011378938 /nfs/dbraw/zinc/37/89/38/1011378938.db2.gz MLEQOBPEOOBCPE-UHFFFAOYSA-N 0 3 403.914 3.966 20 5 HHBDHN C[C@H]1CCCN(c2ccc(C(=O)N(CCN(C)C)C3CCCC3)cc2[N+](=O)[O-])C1 ZINC000523663579 1012258532 /nfs/dbraw/zinc/25/85/32/1012258532.db2.gz LBIPKEQVBIGMBV-KRWDZBQOSA-N 0 3 402.539 3.778 20 5 HHBDHN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)CCCN(C)Cc1ccco1 ZINC000552268377 1012279378 /nfs/dbraw/zinc/27/93/78/1012279378.db2.gz HHCOGGUGXWLVJF-CQSZACIVSA-N 0 3 408.886 3.622 20 5 HHBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H]1CCC[C@H]1Oc1cc(F)cc(F)c1 ZINC000552271014 1012284212 /nfs/dbraw/zinc/28/42/12/1012284212.db2.gz NQQHBIMQRIGGNH-RBUKOAKNSA-N 0 3 405.401 3.710 20 5 HHBDHN C[C@@H](C(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1)c1ccc([N+](=O)[O-])cc1F ZINC000541623794 1012434734 /nfs/dbraw/zinc/43/47/34/1012434734.db2.gz XCYJJMHJCPBLIC-CYBMUJFWSA-N 0 3 409.408 3.706 20 5 HHBDHN CCN1CCN(c2ccc(F)cc2[C@@H](C)NCc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000537107082 1012477055 /nfs/dbraw/zinc/47/70/55/1012477055.db2.gz HMVSCCLNYZGUPE-MRXNPFEDSA-N 0 3 416.497 3.735 20 5 HHBDHN CC(C)OCCN1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)CC1 ZINC000537170063 1012573826 /nfs/dbraw/zinc/57/38/26/1012573826.db2.gz VBEDQIKUPHSXOK-UHFFFAOYSA-N 0 3 409.552 3.715 20 5 HHBDHN CCCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000541770476 1012636476 /nfs/dbraw/zinc/63/64/76/1012636476.db2.gz FJVRRTSIHPWIAZ-MRXNPFEDSA-N 0 3 401.429 3.916 20 5 HHBDHN CN(c1ccccc1)c1ccc(CN2CCC[C@@H](Cn3ccnn3)C2)cc1[N+](=O)[O-] ZINC000538799336 1072674858 /nfs/dbraw/zinc/67/48/58/1072674858.db2.gz ZMYXHSKOROVYFY-LJQANCHMSA-N 0 3 406.490 3.866 20 5 HHBDHN Nc1cc(N2CCN(C3c4ccccc4-c4ccccc43)CC2)cc(CO)c1[N+](=O)[O-] ZINC000588005368 1072741865 /nfs/dbraw/zinc/74/18/65/1072741865.db2.gz DNXAKEKQGBSOOP-UHFFFAOYSA-N 0 3 416.481 3.561 20 5 HHBDHN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCN(c2ccnc3ccccc32)CC1 ZINC000588841420 1073300665 /nfs/dbraw/zinc/30/06/65/1073300665.db2.gz FZACNPLNHXCNTG-UHFFFAOYSA-N 0 3 410.861 3.688 20 5 HHBDHN CSc1ccc(C(=O)N(C[C@H](O)CC(C)(C)C)C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000590541818 1073885717 /nfs/dbraw/zinc/88/57/17/1073885717.db2.gz VCJQVGRMPFFEEV-QGZVFWFLSA-N 0 3 423.579 3.650 20 5 HHBDHN COc1cc(CN2CC[C@@H](Nc3ccc([N+](=O)[O-])c4cnccc34)C2)cc(OC)c1 ZINC000301580220 970988787 /nfs/dbraw/zinc/98/87/87/970988787.db2.gz SKNOKDTUUJPJAV-MRXNPFEDSA-N 0 3 408.458 3.847 20 5 HHBDHN C[C@H](Nc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-])[C@@H]1CCCN(C2CCC2)C1 ZINC000302039215 971158407 /nfs/dbraw/zinc/15/84/07/971158407.db2.gz HDNCUQHDYABLKV-QWHCGFSZSA-N 0 3 417.478 3.656 20 5 HHBDHN CN(C)[C@H](CNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2)c1cccc(C(F)(F)F)c1 ZINC000302230958 971213337 /nfs/dbraw/zinc/21/33/37/971213337.db2.gz XHUXJPCVHULXOL-MRXNPFEDSA-N 0 3 424.379 3.659 20 5 HHBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@@H](c1ccccc1Cl)N1CCOCC1 ZINC000303125093 971515906 /nfs/dbraw/zinc/51/59/06/971515906.db2.gz NCXWYMXCDAZRRW-FQEVSTJZSA-N 0 3 419.909 3.810 20 5 HHBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N(CCN1CCCC1)Cc1ccc(Cl)cc1 ZINC000303454508 971757489 /nfs/dbraw/zinc/75/74/89/971757489.db2.gz FVGFZNMSVBURDP-UHFFFAOYSA-N 0 3 402.882 3.690 20 5 HHBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN(Cc1cccc(Br)c1)C1CC1 ZINC000542203252 1013147537 /nfs/dbraw/zinc/14/75/37/1013147537.db2.gz RAQZXTKWSYAMLG-KRWDZBQOSA-N 0 3 421.291 3.762 20 5 HHBDHN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000303849738 972389529 /nfs/dbraw/zinc/38/95/29/972389529.db2.gz OEDBVEAXAHOIEF-GOSISDBHSA-N 0 3 419.485 3.517 20 5 HHBDHN CCN(CC)[C@H](CNC(=S)Nc1ccc([N+](=O)[O-])cc1)c1cccc(OC)c1 ZINC000017516740 963206544 /nfs/dbraw/zinc/20/65/44/963206544.db2.gz WLCZACAYCHXHFA-LJQANCHMSA-N 0 3 402.520 3.973 20 5 HHBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2Cc3ccccc3[C@H](c3ccccc3)C2)c1 ZINC000025288212 964227061 /nfs/dbraw/zinc/22/70/61/964227061.db2.gz BMTGWTIZXHSNRA-QPPBQGQZSA-N 0 3 404.466 3.982 20 5 HHBDHN COc1ccc(OCCN[C@H](C)c2cnn(-c3ccc(F)cc3)c2C)c([N+](=O)[O-])c1 ZINC000542544408 1013489161 /nfs/dbraw/zinc/48/91/61/1013489161.db2.gz KTUOWHDUTKAKNX-CQSZACIVSA-N 0 3 414.437 3.966 20 5 HHBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC(c3nc4ccccc4s3)CC2)c1 ZINC000026712539 964654612 /nfs/dbraw/zinc/65/46/12/964654612.db2.gz PBCMTGANZNAZIU-QGZVFWFLSA-N 0 3 413.499 3.824 20 5 HHBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])NCCS(=O)(=O)c1ccc(F)cc1 ZINC000537958308 1013537839 /nfs/dbraw/zinc/53/78/39/1013537839.db2.gz PCEMPFBBGSHSID-OAHLLOKOSA-N 0 3 412.508 3.668 20 5 HHBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC=C(c3c[nH]c4cc(F)ccc43)CC2)c1 ZINC000052823783 964993402 /nfs/dbraw/zinc/99/34/02/964993402.db2.gz DBCBDYVADFQONC-GOSISDBHSA-N 0 3 411.433 3.744 20 5 HHBDHN C[C@@H](NCC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[C@H]1COc2ccccc21 ZINC000542620283 1013556128 /nfs/dbraw/zinc/55/61/28/1013556128.db2.gz ROXPGCRRTAJKOM-CXAGYDPISA-N 0 3 424.482 3.811 20 5 HHBDHN C[C@H](Nc1ccc(C(=O)NCCN2CCCC[C@@H]2C)cc1[N+](=O)[O-])c1ccccn1 ZINC000053809762 965276715 /nfs/dbraw/zinc/27/67/15/965276715.db2.gz GAMFEEPOIUTTIX-IRXDYDNUSA-N 0 3 411.506 3.767 20 5 HHBDHN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]Cc1ccccc1C[NH+]1CCCCC1 ZINC000029964790 965576650 /nfs/dbraw/zinc/57/66/50/965576650.db2.gz ZWWJYBRALHIBLW-UHFFFAOYSA-N 0 3 423.922 3.713 20 5 HHBDHN CCN(CCN1CCCCCC1)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000553800868 1013624895 /nfs/dbraw/zinc/62/48/95/1013624895.db2.gz SKRRSXAZTFNYGB-UHFFFAOYSA-N 0 3 405.542 3.879 20 5 HHBDHN Cc1cccc(N2CCN(CCCCNC(=O)c3ccc([N+](=O)[O-])c(C)c3)CC2)c1 ZINC000032067562 966187971 /nfs/dbraw/zinc/18/79/71/966187971.db2.gz FDKXYPBSBOAUJZ-UHFFFAOYSA-N 0 3 410.518 3.544 20 5 HHBDHN O=C(NC[C@H](c1ccccc1)N1CCCC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000032217035 966201288 /nfs/dbraw/zinc/20/12/88/966201288.db2.gz JYDYVOPZWLPHFU-JOCHJYFZSA-N 0 3 408.502 3.762 20 5 HHBDHN Cc1nccn1-c1ccc([C@H](C)N[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000542885126 1013733076 /nfs/dbraw/zinc/73/30/76/1013733076.db2.gz PFQPMNZBVXZWSH-BTYIYWSLSA-N 0 3 405.458 3.545 20 5 HHBDHN Cc1c([C@H](C)NCCC(=O)Nc2ccccc2[N+](=O)[O-])cnn1-c1ccc(F)cc1 ZINC000538267290 1013807873 /nfs/dbraw/zinc/80/78/73/1013807873.db2.gz DLEDLSNMRNZBDE-AWEZNQCLSA-N 0 3 411.437 3.907 20 5 HHBDHN Cc1c([C@@H](C)NCCC(=O)Nc2ccccc2[N+](=O)[O-])cnn1-c1ccc(F)cc1 ZINC000538267291 1013808185 /nfs/dbraw/zinc/80/81/85/1013808185.db2.gz DLEDLSNMRNZBDE-CQSZACIVSA-N 0 3 411.437 3.907 20 5 HHBDHN CCN(CC)[C@@H](CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)c1cccc(OC)c1 ZINC000065721167 968613093 /nfs/dbraw/zinc/61/30/93/968613093.db2.gz OGOKSUCUTVIEOK-QFIPXVFZSA-N 0 3 424.501 3.757 20 5 HHBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000065931764 968722600 /nfs/dbraw/zinc/72/26/00/968722600.db2.gz OTUSETTYDLINDU-OAHLLOKOSA-N 0 3 405.495 3.805 20 5 HHBDHN CN(C)CCN(Cc1cccc(Cl)c1)C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000065937248 968725751 /nfs/dbraw/zinc/72/57/51/968725751.db2.gz DJCASMSWUGWNPZ-UHFFFAOYSA-N 0 3 407.923 3.931 20 5 HHBDHN CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000072045836 968956765 /nfs/dbraw/zinc/95/67/65/968956765.db2.gz MPXPSNTZJVUWMR-UHFFFAOYSA-N 0 3 409.408 3.747 20 5 HHBDHN CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000554218342 1013858617 /nfs/dbraw/zinc/85/86/17/1013858617.db2.gz NEWUHKVYWQVGDQ-GOSISDBHSA-N 0 3 402.520 3.677 20 5 HHBDHN Cc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)N(C)C)cc1 ZINC000109290320 969491677 /nfs/dbraw/zinc/49/16/77/969491677.db2.gz SLJRJEABJNOLOD-QFIPXVFZSA-N 0 3 410.518 3.926 20 5 HHBDHN Cc1csc(Sc2ccc(C(=O)N(C)CCN3CCCC3)cc2[N+](=O)[O-])n1 ZINC000110912456 969740558 /nfs/dbraw/zinc/74/05/58/969740558.db2.gz FZCYTHUNTUBGSA-UHFFFAOYSA-N 0 3 406.533 3.679 20 5 HHBDHN CCN1CCN(Cc2ccccc2CNc2nc3ccc([N+](=O)[O-])cc3s2)CC1 ZINC000111193197 969797874 /nfs/dbraw/zinc/79/78/74/969797874.db2.gz FRTWRYYRSJKGIK-UHFFFAOYSA-N 0 3 411.531 3.954 20 5 HHBDHN Cc1c(Cl)cc(S(=O)(=O)N2CCC[C@H](N3[C@H](C)CC[C@@H]3C)C2)cc1[N+](=O)[O-] ZINC000115844457 969857096 /nfs/dbraw/zinc/85/70/96/969857096.db2.gz AMODAEVSWMQTHZ-GUTXKFCHSA-N 0 3 415.943 3.583 20 5 HHBDHN COc1ccc(CNCc2ccc(C(N)=O)cc2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237221877 970244020 /nfs/dbraw/zinc/24/40/20/970244020.db2.gz SUGBWUBNEPOWRD-UHFFFAOYSA-N 0 3 421.453 3.571 20 5 HHBDHN C[C@@H]1CN([C@@H](CNCc2ccccc2[N+](=O)[O-])c2c(F)cccc2Cl)CCO1 ZINC000237433324 970285460 /nfs/dbraw/zinc/28/54/60/970285460.db2.gz WLDXDZQKSWQFEM-KUHUBIRLSA-N 0 3 407.873 3.939 20 5 HHBDHN Cc1ccc([C@H](CNCc2ccc(-c3ccccc3[N+](=O)[O-])o2)N2CCOCC2)o1 ZINC000237654854 970330824 /nfs/dbraw/zinc/33/08/24/970330824.db2.gz PQJKBLZDHWESJI-FQEVSTJZSA-N 0 3 411.458 3.919 20 5 HHBDHN Cc1noc(CCNCc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)n1 ZINC000237688091 970339751 /nfs/dbraw/zinc/33/97/51/970339751.db2.gz HCPJNTMOHIGJSA-UHFFFAOYSA-N 0 3 407.224 3.641 20 5 HHBDHN O=C(NCCCNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(F)cc1 ZINC000237723827 970347259 /nfs/dbraw/zinc/34/72/59/970347259.db2.gz JNYBIZGMYJOJKH-UHFFFAOYSA-N 0 3 414.462 3.767 20 5 HHBDHN Cc1ccc(Sc2ccc(CNC[C@@H]3CCS(=O)(=O)C3)cc2[N+](=O)[O-])cc1 ZINC000237872683 970385774 /nfs/dbraw/zinc/38/57/74/970385774.db2.gz PJQCNQCAHIHVIQ-INIZCTEOSA-N 0 3 406.529 3.579 20 5 HHBDHN O=[N+]([O-])c1cccc(-c2nc(CNCC3(N4CCOCC4)CCCCC3)cs2)c1 ZINC000238005838 970416639 /nfs/dbraw/zinc/41/66/39/970416639.db2.gz MIFKQZDDJOGPTM-UHFFFAOYSA-N 0 3 416.547 3.843 20 5 HHBDHN CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000410046114 973527456 /nfs/dbraw/zinc/52/74/56/973527456.db2.gz BHHBOQAZJIYZDZ-OAQYLSRUSA-N 0 3 411.502 3.563 20 5 HHBDHN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCN(C2CCCCC2)CC1 ZINC000426286892 974372888 /nfs/dbraw/zinc/37/28/88/974372888.db2.gz SZTJNPJMMVBKBG-UHFFFAOYSA-N 0 3 414.428 3.774 20 5 HHBDHN C[C@H]1CN(CCC2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CC2)C[C@H](C)O1 ZINC000426642298 974578719 /nfs/dbraw/zinc/57/87/19/974578719.db2.gz HIVKTTZRJZZVCT-GJZGRUSLSA-N 0 3 424.929 3.991 20 5 HHBDHN C[C@@H]1CN(CCC2CCN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3)CC2)C[C@@H](C)O1 ZINC000427327202 975054553 /nfs/dbraw/zinc/05/45/53/975054553.db2.gz CHBQNXNPUMJMND-HUUCEWRRSA-N 0 3 409.914 3.600 20 5 HHBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@@H](CO)Cc1cccc(Br)c1 ZINC000428531740 975825744 /nfs/dbraw/zinc/82/57/44/975825744.db2.gz DHLVZBSOKYUXRQ-HNNXBMFYSA-N 0 3 423.307 3.697 20 5 HHBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000429126722 976411843 /nfs/dbraw/zinc/41/18/43/976411843.db2.gz IGIQHVWHHKUNGL-WBVHZDCISA-N 0 3 408.907 3.855 20 5 HHBDHN O=C(NC[C@H]1CCCN1Cc1ccccc1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000430911938 977880342 /nfs/dbraw/zinc/88/03/42/977880342.db2.gz JLXMIDJUBNRNIU-MRXNPFEDSA-N 0 3 418.291 3.752 20 5 HHBDHN Cc1ccc([C@@H](CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])N(C)C)cc1 ZINC000431037749 977970101 /nfs/dbraw/zinc/97/01/01/977970101.db2.gz PRPLMVQHGPIVBB-QGZVFWFLSA-N 0 3 406.280 3.698 20 5 HHBDHN Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000434313956 980075214 /nfs/dbraw/zinc/07/52/14/980075214.db2.gz CFRQOHJVFUHCAW-NRFANRHFSA-N 0 3 419.485 3.728 20 5 HHBDHN Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000434321018 980084260 /nfs/dbraw/zinc/08/42/60/980084260.db2.gz IYGNBKKXHIRLCP-SFHVURJKSA-N 0 3 423.448 3.938 20 5 HHBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000435366862 980815359 /nfs/dbraw/zinc/81/53/59/980815359.db2.gz OYMAZKKUJIXNAG-LJQANCHMSA-N 0 3 405.458 3.799 20 5 HHBDHN Cc1ccc(C(=O)Nc2ccnn2[C@@H]2CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000435372141 980821525 /nfs/dbraw/zinc/82/15/25/980821525.db2.gz ZZGVCNVNCDICHI-LJQANCHMSA-N 0 3 405.458 3.799 20 5 HHBDHN O=C1c2ccccc2C(=O)N1C1CCC(NCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000436409323 981353172 /nfs/dbraw/zinc/35/31/72/981353172.db2.gz XRRWWEVDKQDWFW-UHFFFAOYSA-N 0 3 413.861 3.945 20 5 HHBDHN CC(C)C1CCC(N2CCN([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000438543352 982881819 /nfs/dbraw/zinc/88/18/19/982881819.db2.gz FSIAFAAFXZPVNF-PGYGNJIDSA-N 0 3 402.539 3.754 20 5 HHBDHN CN(C)CCN(Cc1cccs1)C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000438545676 982883965 /nfs/dbraw/zinc/88/39/65/982883965.db2.gz KBJVJOMTSKVQAN-UHFFFAOYSA-N 0 3 412.309 3.623 20 5 HHBDHN CN1CCC(N(Cc2ccccc2)C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000438554765 982895185 /nfs/dbraw/zinc/89/51/85/982895185.db2.gz TXCNQJAXZHHLOI-UHFFFAOYSA-N 0 3 406.486 3.673 20 5 HHBDHN C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCCN2Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000439012182 983209656 /nfs/dbraw/zinc/20/96/56/983209656.db2.gz SZQSVPSWDQYAQC-FCLVOEFKSA-N 0 3 400.479 3.796 20 5 HHBDHN Cc1c(CC(=O)Nc2ccnn2[C@@H]2CCN(Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000439286025 983345622 /nfs/dbraw/zinc/34/56/22/983345622.db2.gz KTQKBNSYJJRQPW-HXUWFJFHSA-N 0 3 419.485 3.728 20 5 HHBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000462444085 985409771 /nfs/dbraw/zinc/40/97/71/985409771.db2.gz JLKXQICSUIFPLE-GOSISDBHSA-N 0 3 405.564 3.641 20 5 HHBDHN COc1cc(CN[C@@H]2CCO[C@@H](C3CC3)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000462557564 985505621 /nfs/dbraw/zinc/50/56/21/985505621.db2.gz VJRSRTBUBPTJJN-UKRRQHHQSA-N 0 3 404.385 3.592 20 5 HHBDHN COC(=O)c1ccccc1C(=O)c1ccc(N[C@@H]2CCN(C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000462874197 985798618 /nfs/dbraw/zinc/79/86/18/985798618.db2.gz MIJOXVUYHSPKGI-GOEBONIOSA-N 0 3 411.458 3.507 20 5 HHBDHN COc1cc(CN[C@H]2C[C@@H](OC(C)C)C2(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000468484106 986181679 /nfs/dbraw/zinc/18/16/79/986181679.db2.gz PRODNYZMMXYZPO-DLBZAZTESA-N 0 3 402.438 3.929 20 5 HHBDHN Cc1c(CN2CCSCC2)cccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000444033647 986229734 /nfs/dbraw/zinc/22/97/34/986229734.db2.gz RKGMFRNSWLYLFR-UHFFFAOYSA-N 0 3 421.544 3.561 20 5 HHBDHN COC[C@H]1CCCCN(Cc2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000468693000 986406437 /nfs/dbraw/zinc/40/64/37/986406437.db2.gz GYGXDSYNCOBGPJ-ZDUSSCGKSA-N 0 3 406.401 3.793 20 5 HHBDHN C[C@@H](CN1CCCCCC1)NC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444334569 986512301 /nfs/dbraw/zinc/51/23/01/986512301.db2.gz HXSILUDDSMCADP-AWEZNQCLSA-N 0 3 413.468 3.954 20 5 HHBDHN CC1(C)C[C@@H](NCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C(C)(C)O1 ZINC000444637388 986823255 /nfs/dbraw/zinc/82/32/55/986823255.db2.gz PKZGXXIPYHSXMT-OAHLLOKOSA-N 0 3 404.492 3.593 20 5 HHBDHN C[C@H](NC[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(Br)s1 ZINC000444766619 986926677 /nfs/dbraw/zinc/92/66/77/986926677.db2.gz MPKPYIBBPKZJMA-JQWIXIFHSA-N 0 3 401.282 3.509 20 5 HHBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000471118273 989223145 /nfs/dbraw/zinc/22/31/45/989223145.db2.gz CHLDBYFWHGCWOL-UHFFFAOYSA-N 0 3 416.400 3.530 20 5 HHBDHN Cc1ccc(NC(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)cc1[N+](=O)[O-] ZINC000471119834 989224828 /nfs/dbraw/zinc/22/48/28/989224828.db2.gz ADUFJKHJTGHEOV-UHFFFAOYSA-N 0 3 400.401 3.830 20 5 HHBDHN C[C@H](NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])[C@H](c1ccccc1)N(C)C ZINC000471528205 989728261 /nfs/dbraw/zinc/72/82/61/989728261.db2.gz LKONCYOPBGQQMU-VBKZILBWSA-N 0 3 405.882 3.825 20 5 HHBDHN COc1cc(C(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000471557915 989758392 /nfs/dbraw/zinc/75/83/92/989758392.db2.gz YLTPINLQCJHJTO-SGTLLEGYSA-N 0 3 423.416 3.626 20 5 HHBDHN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000466207654 991412722 /nfs/dbraw/zinc/41/27/22/991412722.db2.gz VRJZFRGMCRBOCD-SFHVURJKSA-N 0 3 402.882 3.712 20 5 HHBDHN C[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Br)CN1Cc1ccccc1 ZINC000467696045 992952633 /nfs/dbraw/zinc/95/26/33/992952633.db2.gz SVWQCPCKDPDADS-HIFRSBDPSA-N 0 3 418.291 3.750 20 5 HHBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCCC[C@@H]1CNC(=O)c1ccccc1 ZINC000472284612 993302265 /nfs/dbraw/zinc/30/22/65/993302265.db2.gz ZGHSMDQARJLUNJ-HXUWFJFHSA-N 0 3 424.501 3.516 20 5 HHBDHN Cc1c([C@H](C)NCCNC(=O)c2ccc(Br)cc2)cccc1[N+](=O)[O-] ZINC000480913234 993768697 /nfs/dbraw/zinc/76/86/97/993768697.db2.gz WBNHCOCOMQBLEU-ZDUSSCGKSA-N 0 3 406.280 3.746 20 5 HHBDHN CCN1CCN(c2cccc(NC(=O)NC(C)(C)c3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000473828867 994759624 /nfs/dbraw/zinc/75/96/24/994759624.db2.gz LAJQNVNWBDMCKA-UHFFFAOYSA-N 0 3 411.506 3.794 20 5 HHBDHN COC(=O)COc1ccc(CN[C@H](C)c2cccc(N3CCCC3)c2)cc1[N+](=O)[O-] ZINC000474363626 995344074 /nfs/dbraw/zinc/34/40/74/995344074.db2.gz VYGGVWQRYALBTB-MRXNPFEDSA-N 0 3 413.474 3.598 20 5 HHBDHN CCN1CCN(c2cccc(N[C@H](C)CC(=O)Nc3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000475091732 995916722 /nfs/dbraw/zinc/91/67/22/995916722.db2.gz SMMHMFVOVLKURB-QGZVFWFLSA-N 0 3 411.506 3.566 20 5 HHBDHN NC(=O)CC1(NCc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CCC1 ZINC000475113009 995930168 /nfs/dbraw/zinc/93/01/68/995930168.db2.gz XSSPMXXUFXNGTF-UHFFFAOYSA-N 0 3 408.252 3.505 20 5 HHBDHN CN(C(=O)c1ccc([N+](=O)[O-])cc1Br)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475297743 996053490 /nfs/dbraw/zinc/05/34/90/996053490.db2.gz DLRPPXYHJILQFJ-INIZCTEOSA-N 0 3 418.291 3.704 20 5 HHBDHN COC(=O)c1cc(NC(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)c(C)c([N+](=O)[O-])c1 ZINC000483597144 996276230 /nfs/dbraw/zinc/27/62/30/996276230.db2.gz ZABDPKFGSJMDES-LIRRHRJNSA-N 0 3 414.462 3.503 20 5 HHBDHN CO[C@@H]1CCCC[C@H]1N[C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000483709185 996341828 /nfs/dbraw/zinc/34/18/28/996341828.db2.gz IQSFECOUAJYKPP-SRCQZFHVSA-N 0 3 404.492 3.593 20 5 HHBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000484487337 996809556 /nfs/dbraw/zinc/80/95/56/996809556.db2.gz IPBXZUZLGJSVKR-UHFFFAOYSA-N 0 3 409.577 3.798 20 5 HHBDHN COc1cccc(CN(Cc2ccc([N+](=O)[O-])c(OC)c2)C2CCC(O)CC2)c1 ZINC000485571008 998019930 /nfs/dbraw/zinc/01/99/30/998019930.db2.gz QRGPBNYMPNYSCV-UHFFFAOYSA-N 0 3 400.475 3.918 20 5 HHBDHN C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CN1Cc1ccccc1 ZINC000485580529 998029424 /nfs/dbraw/zinc/02/94/24/998029424.db2.gz PHUZPBBPWWIAJR-ZFWWWQNUSA-N 0 3 405.401 3.589 20 5 HHBDHN O=C(NC[C@H]1CCCN1Cc1ccccc1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000485632345 998077316 /nfs/dbraw/zinc/07/73/16/998077316.db2.gz RODJPWTUFLQMIS-MRXNPFEDSA-N 0 3 405.401 3.591 20 5 HHBDHN O=C(Nc1cccc(CN2CCC(CO)CC2)c1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000477725175 998454889 /nfs/dbraw/zinc/45/48/89/998454889.db2.gz XZOJCLNBOYEPOQ-UHFFFAOYSA-N 0 3 408.458 3.533 20 5 HHBDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000486300800 998702615 /nfs/dbraw/zinc/70/26/15/998702615.db2.gz VAALPIALYZLJJM-BEFAXECRSA-N 0 3 416.909 3.925 20 5 HHBDHN COc1ccc([C@H](CNC(=O)NCc2cccc([N+](=O)[O-])c2C)N2CCCC2)cc1 ZINC000478444055 998962094 /nfs/dbraw/zinc/96/20/94/998962094.db2.gz LLZCSQJFHTWWLN-NRFANRHFSA-N 0 3 412.490 3.548 20 5 HHBDHN COc1cc(CN2C[C@H]3CCC[C@@]3(c3nc(-c4cccnc4)no3)C2)ccc1[N+](=O)[O-] ZINC000486841147 998966911 /nfs/dbraw/zinc/96/69/11/998966911.db2.gz OPWICKNHDCMIJM-VGOFRKELSA-N 0 3 421.457 3.602 20 5 HHBDHN CN1CC[C@H](NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000488011135 999347572 /nfs/dbraw/zinc/34/75/72/999347572.db2.gz XSWVJGCQTFSUJC-PKOBYXMFSA-N 0 3 402.882 3.535 20 5 HHBDHN CN1CCC(N(Cc2ccccc2)C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC1 ZINC000488693230 999575408 /nfs/dbraw/zinc/57/54/08/999575408.db2.gz LOHUPIZMQYAZBJ-UHFFFAOYSA-N 0 3 419.485 3.517 20 5 HHBDHN COc1cc(CN[C@H]2CCN(c3ccccc3C(F)(F)F)C2)c([N+](=O)[O-])cc1O ZINC000479877670 999633593 /nfs/dbraw/zinc/63/35/93/999633593.db2.gz WYPYFGVUADPHST-ZDUSSCGKSA-N 0 3 411.380 3.696 20 5 HHBDHN COc1cc(N[C@@H]2CCCN(CCOc3ccccc3[N+](=O)[O-])C2)cc(OC)c1 ZINC000490048659 999884979 /nfs/dbraw/zinc/88/49/79/999884979.db2.gz LUUOILCTCVNVKS-MRXNPFEDSA-N 0 3 401.463 3.567 20 5 HHBDHN O=[N+]([O-])c1cccc([C@H](NC[C@@H](O)CN2CCc3ccccc3C2)c2ccccc2)c1 ZINC000490191431 999908052 /nfs/dbraw/zinc/90/80/52/999908052.db2.gz SKTFCXIIJJBZCN-JWQCQUIFSA-N 0 3 417.509 3.693 20 5 HHBDHN Cc1csc(Sc2ccc(C(=O)N3CC[C@@H]4CCN(C)C[C@H]43)cc2[N+](=O)[O-])n1 ZINC000493343311 1000169680 /nfs/dbraw/zinc/16/96/80/1000169680.db2.gz FFHHTVNHOXHOEU-XJKSGUPXSA-N 0 3 418.544 3.677 20 5 HHBDHN CN(C)[C@H](CNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)Cc1ccccc1 ZINC000494211884 1000365705 /nfs/dbraw/zinc/36/57/05/1000365705.db2.gz JBZNAJJWTRNIJS-SFHVURJKSA-N 0 3 424.423 3.586 20 5 HHBDHN CCO[C@@H]1C[C@@H](NCc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C12CCC2 ZINC000494680248 1000600486 /nfs/dbraw/zinc/60/04/86/1000600486.db2.gz MRLKULAXOCLJOP-IAGOWNOFSA-N 0 3 400.422 3.685 20 5 HHBDHN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000505575234 1000915460 /nfs/dbraw/zinc/91/54/60/1000915460.db2.gz QIEFXRAHHNXSLQ-MGPUTAFESA-N 0 3 417.531 3.755 20 5 HHBDHN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000505575233 1000915548 /nfs/dbraw/zinc/91/55/48/1000915548.db2.gz QIEFXRAHHNXSLQ-FOIQADDNSA-N 0 3 417.531 3.755 20 5 HHBDHN C[C@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])[C@@H](c1ccccc1)N(C)C ZINC000505582559 1000919699 /nfs/dbraw/zinc/91/96/99/1000919699.db2.gz VMEYNRZFMVZGAE-SJCJKPOMSA-N 0 3 406.280 3.779 20 5 HHBDHN CN1CCC[C@]2(CCN(C(=O)c3cc(F)cc4c(=O)c5cccc(F)c5[nH]c34)C2)C1 ZINC000505607961 1000931986 /nfs/dbraw/zinc/93/19/86/1000931986.db2.gz NOKNBTZECFZMGD-QHCPKHFHSA-N 0 3 411.452 3.517 20 5 HHBDHN COc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)cc1SC ZINC000505639454 1000949171 /nfs/dbraw/zinc/94/91/71/1000949171.db2.gz YUHUDMMHDZBMRS-YJYMSZOUSA-N 0 3 403.504 3.747 20 5 HHBDHN CC(C)[C@H](CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCc2ccccc2C1 ZINC000495335805 1000972472 /nfs/dbraw/zinc/97/24/72/1000972472.db2.gz BKDRXGABKVASAN-NRFANRHFSA-N 0 3 406.486 3.889 20 5 HHBDHN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000495408973 1001002494 /nfs/dbraw/zinc/00/24/94/1001002494.db2.gz VFRLCRBQNZAMJG-CALCHBBNSA-N 0 3 423.579 3.962 20 5 HHBDHN CCOc1cc(CN2CCC(C)CC2)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000505890895 1001083673 /nfs/dbraw/zinc/08/36/73/1001083673.db2.gz GKWXLXVDTQQUPX-UHFFFAOYSA-N 0 3 402.495 3.809 20 5 HHBDHN CCCN(CCN(C)C)C(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(OC)cc1 ZINC000496270157 1001150709 /nfs/dbraw/zinc/15/07/09/1001150709.db2.gz CRTYAOOSLKMEHH-UHFFFAOYSA-N 0 3 401.463 3.810 20 5 HHBDHN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC(CCCN2CCOCC2)CC1 ZINC000506030090 1001174988 /nfs/dbraw/zinc/17/49/88/1001174988.db2.gz FVSAXDPWEVGKHA-UHFFFAOYSA-N 0 3 405.539 3.706 20 5 HHBDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000507601529 1002208614 /nfs/dbraw/zinc/20/86/14/1002208614.db2.gz OMUCEIXHPBMBON-YLJYHZDGSA-N 0 3 408.502 3.760 20 5 HHBDHN C[C@H](NC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000507683458 1002276605 /nfs/dbraw/zinc/27/66/05/1002276605.db2.gz KHMXMPBNCHNLCG-HNAYVOBHSA-N 0 3 403.429 3.929 20 5 HHBDHN O=C(Nc1cccc(CN2CCC(CO)CC2)c1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000508060351 1002581564 /nfs/dbraw/zinc/58/15/64/1002581564.db2.gz TYFRALBLBWJGJG-UHFFFAOYSA-N 0 3 424.501 3.626 20 5 HHBDHN CN(C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)C1CCN(Cc2ccccc2)CC1 ZINC000499531907 1002918652 /nfs/dbraw/zinc/91/86/52/1002918652.db2.gz UYIXCLDHPAAPCZ-UHFFFAOYSA-N 0 3 419.485 3.517 20 5 HHBDHN CN(C)CCN(C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])c1ccccc1 ZINC000509129991 1003574212 /nfs/dbraw/zinc/57/42/12/1003574212.db2.gz PAQJEYSOEOPUFZ-UHFFFAOYSA-N 0 3 411.380 3.744 20 5 HHBDHN C[C@H](Nc1ccc(C(=O)N[C@@H](C)C2=CCN(C)CC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000512126550 1004041577 /nfs/dbraw/zinc/04/15/77/1004041577.db2.gz BLQYAUUXIUFGSP-HOTGVXAUSA-N 0 3 409.490 3.543 20 5 HHBDHN COC(=O)[C@H](C)CN(C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000509785154 1004094619 /nfs/dbraw/zinc/09/46/19/1004094619.db2.gz FPVQZQCVQJNDNM-LLVKDONJSA-N 0 3 411.252 3.858 20 5 HHBDHN CCC[C@@H](C)NC(=O)[C@H]1CCCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000512522492 1004358885 /nfs/dbraw/zinc/35/88/85/1004358885.db2.gz VFBUTXAWCSWYMU-AEFFLSMTSA-N 0 3 413.522 3.512 20 5 HHBDHN CCCN(CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H](C)C(=O)Nc1ccccc1C ZINC000501853959 1004777260 /nfs/dbraw/zinc/77/72/60/1004777260.db2.gz VXOVAJXMZGQJPW-KRWDZBQOSA-N 0 3 412.490 3.971 20 5 HHBDHN CCCN(CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H](C)C(=O)Nc1ccccc1C ZINC000501853961 1004777271 /nfs/dbraw/zinc/77/72/71/1004777271.db2.gz VXOVAJXMZGQJPW-QGZVFWFLSA-N 0 3 412.490 3.971 20 5 HHBDHN CCN1CCC[C@@H](CN(C)Cc2c(F)cc([N+](=O)[O-])cc2F)[C@@H]1c1cnn(C)c1 ZINC000510784209 1004849951 /nfs/dbraw/zinc/84/99/51/1004849951.db2.gz VIUDYHQMFZJXJD-VBKZILBWSA-N 0 3 407.465 3.512 20 5 HHBDHN Cc1cccc(N2CCN(CCCCNC(=O)c3ccc([N+](=O)[O-])cc3C)CC2)c1 ZINC000510800594 1004860578 /nfs/dbraw/zinc/86/05/78/1004860578.db2.gz XUJNJIZKNWBZKJ-UHFFFAOYSA-N 0 3 410.518 3.544 20 5 HHBDHN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000513302479 1004902952 /nfs/dbraw/zinc/90/29/52/1004902952.db2.gz VXXHZHCWZNCCTB-CRAIPNDOSA-N 0 3 417.893 3.796 20 5 HHBDHN COc1ccc(-c2ccc(CN3CCC[C@H](c4nnc5n4CCC5)C3)o2)c([N+](=O)[O-])c1 ZINC000513649601 1005066113 /nfs/dbraw/zinc/06/61/13/1005066113.db2.gz ZTBWKZHURVWFBZ-HNNXBMFYSA-N 0 3 423.473 3.781 20 5 HHBDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000513698738 1005087116 /nfs/dbraw/zinc/08/71/16/1005087116.db2.gz FDBBXYDCWOQOKW-CJNGLKHVSA-N 0 3 405.401 3.762 20 5 HHBDHN COc1cc(CN[C@@H]2CCCC[C@H]2OC(F)F)c([N+](=O)[O-])cc1OCC(F)F ZINC000502494188 1005091324 /nfs/dbraw/zinc/09/13/24/1005091324.db2.gz KGCWTKLZZAMVED-DGCLKSJQSA-N 0 3 410.364 3.887 20 5 HHBDHN CN1CCCN([C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CC1 ZINC000514320024 1005336600 /nfs/dbraw/zinc/33/66/00/1005336600.db2.gz PWWHFUFHDJSHJP-LJQANCHMSA-N 0 3 402.882 3.566 20 5 HHBDHN Cc1c(CNC(=O)NC[C@@H](c2ccc(OC(C)C)cc2)N(C)C)cccc1[N+](=O)[O-] ZINC000503099673 1005347122 /nfs/dbraw/zinc/34/71/22/1005347122.db2.gz YJNGZDOTMMXGHZ-NRFANRHFSA-N 0 3 414.506 3.793 20 5 HHBDHN O=C(NC1CC1)c1ccc(NC[C@@H](c2cccs2)N2CCCC2)c([N+](=O)[O-])c1 ZINC000514898560 1006199147 /nfs/dbraw/zinc/19/91/47/1006199147.db2.gz YWPKVEHEMMCEFX-SFHVURJKSA-N 0 3 400.504 3.798 20 5 HHBDHN CCN1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000534541460 1006532324 /nfs/dbraw/zinc/53/23/24/1006532324.db2.gz MOXQHIXPEQUXJX-MRXNPFEDSA-N 0 3 403.504 3.797 20 5 HHBDHN CC[C@H](NCc1ccc(CS(=O)(=O)NC(C)C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000532206957 1006720551 /nfs/dbraw/zinc/72/05/51/1006720551.db2.gz ONJCEGJPRADQAC-FQEVSTJZSA-N 0 3 405.520 3.664 20 5 HHBDHN CCc1nc(C)c([C@H](C)N(C)CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)s1 ZINC000532576563 1007008219 /nfs/dbraw/zinc/00/82/19/1007008219.db2.gz DSFOCPFXCCCUFK-ZDUSSCGKSA-N 0 3 404.492 3.913 20 5 HHBDHN CCN(CC)[C@@H](CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)c1cccc(OC)c1 ZINC000534983423 1007042183 /nfs/dbraw/zinc/04/21/83/1007042183.db2.gz SANQFIDCPIDWNR-FQEVSTJZSA-N 0 3 410.474 3.898 20 5 HHBDHN COc1ccc(NC(=O)CCN2CCC(Oc3ccc(C)cc3)CC2)c([N+](=O)[O-])c1 ZINC000532974332 1007343364 /nfs/dbraw/zinc/34/33/64/1007343364.db2.gz KFDIHIGTSGENNL-UHFFFAOYSA-N 0 3 413.474 3.784 20 5 HHBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC(c2ccccc2F)CC1 ZINC000532977775 1007347752 /nfs/dbraw/zinc/34/77/52/1007347752.db2.gz IMKKZSGGNHBSBV-UHFFFAOYSA-N 0 3 401.438 3.951 20 5 HHBDHN Cc1c(NC(=O)CCN2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)cccc1[N+](=O)[O-] ZINC000533288970 1007601235 /nfs/dbraw/zinc/60/12/35/1007601235.db2.gz LRCNEMNYXPSWEY-QGZVFWFLSA-N 0 3 413.449 3.966 20 5 HHBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@@H](C)c1cccc(N2CCCC2)c1 ZINC000539379510 1007684198 /nfs/dbraw/zinc/68/41/98/1007684198.db2.gz DZJVHEFLUHKQRG-HOTGVXAUSA-N 0 3 412.490 3.881 20 5 HHBDHN Cc1nccn1CCNCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000517544432 1007759549 /nfs/dbraw/zinc/75/95/49/1007759549.db2.gz LZVJWQBZUHHVAX-UHFFFAOYSA-N 0 3 405.252 3.912 20 5 HHBDHN CCN(CC)[C@H](CNC(=O)c1cc([N+](=O)[O-])cn1C)c1ccc(C(F)(F)F)cc1 ZINC000518890772 1008461044 /nfs/dbraw/zinc/46/10/44/1008461044.db2.gz FLZIXWXLAMIYMI-QGZVFWFLSA-N 0 3 412.412 3.765 20 5 HHBDHN Cn1cc(CNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c(-c2ccccc2)n1 ZINC000543113196 1008686700 /nfs/dbraw/zinc/68/67/00/1008686700.db2.gz PXKSBZMALIEUSX-UHFFFAOYSA-N 0 3 402.458 3.686 20 5 HHBDHN C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc(N3CCCN(C)CC3)nc2)no1 ZINC000545647627 1008742946 /nfs/dbraw/zinc/74/29/46/1008742946.db2.gz NDSQJQSDDOKSIV-JQIJEIRASA-N 0 3 420.473 3.742 20 5 HHBDHN CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000520106520 1009263164 /nfs/dbraw/zinc/26/31/64/1009263164.db2.gz CJBPSGGJZQLDJP-UHFFFAOYSA-N 0 3 424.423 3.616 20 5 HHBDHN COc1cc(Cc2noc(C3CCN(Cc4ccccc4)CC3)n2)ccc1[N+](=O)[O-] ZINC000546466603 1009486831 /nfs/dbraw/zinc/48/68/31/1009486831.db2.gz VXJXWRNAMXRKDU-UHFFFAOYSA-N 0 3 408.458 3.957 20 5 HHBDHN COc1ccc(NC(=O)CCN2CC[C@@H](Oc3ccc(Cl)cc3)C2)c([N+](=O)[O-])c1 ZINC000550390746 1009901277 /nfs/dbraw/zinc/90/12/77/1009901277.db2.gz HBMZEGYDDKTCHU-QGZVFWFLSA-N 0 3 419.865 3.739 20 5 HHBDHN COCCN1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000544491064 1010115333 /nfs/dbraw/zinc/11/53/33/1010115333.db2.gz OENDTEGMWDEAGV-GOSISDBHSA-N 0 3 421.563 3.718 20 5 HHBDHN C[C@@H](Cc1c(Cl)cccc1Cl)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000544568763 1010198104 /nfs/dbraw/zinc/19/81/04/1010198104.db2.gz DBDXRTLZQDPQDD-LBPRGKRZSA-N 0 3 417.314 3.896 20 5 HHBDHN CN(C)CCN(C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)C1CCCCC1 ZINC000522035035 1010768799 /nfs/dbraw/zinc/76/87/99/1010768799.db2.gz TUIHXEDQLUJLGK-UHFFFAOYSA-N 0 3 402.539 3.534 20 5 HHBDHN CC(C)N1C[C@@H](NCc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000540617713 1011270410 /nfs/dbraw/zinc/27/04/10/1011270410.db2.gz BPQVLBFBCJXAOW-IBGZPJMESA-N 0 3 419.485 3.546 20 5 HHBDHN COc1ccc(CN[C@@H](C)CC(=O)N(C)Cc2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000536883126 1012131539 /nfs/dbraw/zinc/13/15/39/1012131539.db2.gz OXSDHGYVWQCRIM-AWEZNQCLSA-N 0 3 405.882 3.784 20 5 HHBDHN Cc1c(CNC(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)cccc1[N+](=O)[O-] ZINC000552188164 1012200362 /nfs/dbraw/zinc/20/03/62/1012200362.db2.gz GKIQHLIGZJKOPN-GOSISDBHSA-N 0 3 403.429 3.677 20 5 HHBDHN CCOc1ccc(NC(=O)CN[C@H](C[C@H]2CCOC2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000537125894 1012509809 /nfs/dbraw/zinc/50/98/09/1012509809.db2.gz LUQDREADCFGBJJ-OXQOHEQNSA-N 0 3 413.474 3.690 20 5 HHBDHN O=C(CN[C@H](C[C@@H]1CCOC1)c1ccccc1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000537132699 1012517262 /nfs/dbraw/zinc/51/72/62/1012517262.db2.gz MSYCMTSHEDJJGS-IFXJQAMLSA-N 0 3 403.866 3.944 20 5 HHBDHN CN(Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000541695429 1012543037 /nfs/dbraw/zinc/54/30/37/1012543037.db2.gz WIOFCMPEUJVXNH-ICSRJNTNSA-N 0 3 402.422 3.953 20 5 HHBDHN Cc1c(NC(=O)[C@@H](C)N[C@H](c2ccc3c(c2)OCCO3)C2CC2)cccc1[N+](=O)[O-] ZINC000537290487 1012748959 /nfs/dbraw/zinc/74/89/59/1012748959.db2.gz JYGLPKWDLVSJQM-SZNDQCEHSA-N 0 3 411.458 3.742 20 5 HHBDHN CN(C)CCN(C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CCCC1 ZINC001126777912 1072335087 /nfs/dbraw/zinc/33/50/87/1072335087.db2.gz LDILYFUTFNORNX-UHFFFAOYSA-N 0 3 416.444 3.748 20 5 HHBDHN C[C@H](C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000571493308 1072640305 /nfs/dbraw/zinc/64/03/05/1072640305.db2.gz KTVREZYGBKCYSI-KKSFZXQISA-N 0 3 424.501 3.503 20 5 HHBDHN Nc1cc(NCC2CCN(Cc3ccccc3Cl)CC2)cc(CO)c1[N+](=O)[O-] ZINC000587972507 1072724124 /nfs/dbraw/zinc/72/41/24/1072724124.db2.gz OMVHNEFFTXSAIR-UHFFFAOYSA-N 0 3 404.898 3.647 20 5 HHBDHN COC(=O)c1cc([N+](=O)[O-])c(N2CCCN(Cc3ccccc3)CC2)cc1Cl ZINC000301349109 970881643 /nfs/dbraw/zinc/88/16/43/970881643.db2.gz LVFRMDZEPHXTAL-UHFFFAOYSA-N 0 3 403.866 3.747 20 5 HHBDHN O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1NC1CCN(C2CCCCC2)CC1 ZINC000301484651 970953398 /nfs/dbraw/zinc/95/33/98/970953398.db2.gz VQGSXENZXHELLW-UHFFFAOYSA-N 0 3 417.478 3.800 20 5 HHBDHN C[C@H](Nc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-])[C@H]1CCCN(C2CCC2)C1 ZINC000302039216 971158510 /nfs/dbraw/zinc/15/85/10/971158510.db2.gz HDNCUQHDYABLKV-STQMWFEESA-N 0 3 417.478 3.656 20 5 HHBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000303027543 971463822 /nfs/dbraw/zinc/46/38/22/971463822.db2.gz WHMZWHRTDQTYHP-CQSZACIVSA-N 0 3 423.485 3.944 20 5 HHBDHN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000303797641 972035143 /nfs/dbraw/zinc/03/51/43/972035143.db2.gz GFDOWDAHQXARLT-LJQANCHMSA-N 0 3 410.518 3.910 20 5 HHBDHN CN(C)CCN(Cc1ccc(F)cc1F)C(=O)CSc1ccccc1[N+](=O)[O-] ZINC000542191418 1013133747 /nfs/dbraw/zinc/13/37/47/1013133747.db2.gz ACELNMPUWNIJMI-UHFFFAOYSA-N 0 3 409.458 3.556 20 5 HHBDHN CNC(=O)CCOC1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC000537688241 1013251656 /nfs/dbraw/zinc/25/16/56/1013251656.db2.gz PQTZBQQHDFPEGU-UHFFFAOYSA-N 0 3 421.881 3.625 20 5 HHBDHN CCN1CCN(c2ccc(NC(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)c(C)c2)CC1 ZINC000052606712 964936519 /nfs/dbraw/zinc/93/65/19/964936519.db2.gz CILPCFLJKRSAHG-UHFFFAOYSA-N 0 3 407.474 3.779 20 5 HHBDHN O=C(Nc1cc(Cl)ccc1O)C1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000053040362 965046482 /nfs/dbraw/zinc/04/64/82/965046482.db2.gz OHEBNZFZZFQBCK-UHFFFAOYSA-N 0 3 419.865 3.683 20 5 HHBDHN C[C@H](NCC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[C@H]1COc2ccccc21 ZINC000542620316 1013555867 /nfs/dbraw/zinc/55/58/67/1013555867.db2.gz ROXPGCRRTAJKOM-SUMWQHHRSA-N 0 3 424.482 3.811 20 5 HHBDHN O=C(N[C@@H](CN1CCCC1)c1ccccc1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000029178213 965298681 /nfs/dbraw/zinc/29/86/81/965298681.db2.gz VMCUGRWECFURMX-NRFANRHFSA-N 0 3 422.529 3.765 20 5 HHBDHN O=C(NC[C@H](c1ccccc1)N1CCCC1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000032217511 966202346 /nfs/dbraw/zinc/20/23/46/966202346.db2.gz OAUBDRAWUIDSNN-JOCHJYFZSA-N 0 3 408.502 3.762 20 5 HHBDHN CCc1ccc([C@H](CNC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)N(C)C)cc1 ZINC000064693332 967271305 /nfs/dbraw/zinc/27/13/05/967271305.db2.gz UHIFFCLHMUSHBP-NRFANRHFSA-N 0 3 421.501 3.590 20 5 HHBDHN Cc1ccccc1CN1CCCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000065844112 968678744 /nfs/dbraw/zinc/67/87/44/968678744.db2.gz AMUVJWOGUCKTHI-UHFFFAOYSA-N 0 3 406.486 3.592 20 5 HHBDHN CN(C)CCN(Cc1cccc(Cl)c1)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000065936598 968724646 /nfs/dbraw/zinc/72/46/46/968724646.db2.gz BZGUFRXXFKHSAQ-UHFFFAOYSA-N 0 3 400.866 3.934 20 5 HHBDHN CC1CCN([C@H](CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)c2cccs2)CC1 ZINC000071862604 968875503 /nfs/dbraw/zinc/87/55/03/968875503.db2.gz PAKPJSBVNGDFTO-QGZVFWFLSA-N 0 3 413.503 3.736 20 5 HHBDHN CSc1ccc(C(=O)N(CCN(C)C)Cc2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000195724829 969984036 /nfs/dbraw/zinc/98/40/36/969984036.db2.gz ANNZHKAUWVUNST-UHFFFAOYSA-N 0 3 409.458 3.799 20 5 HHBDHN CCN1CCN(c2ccc(F)cc2[C@@H](C)NCc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000236981757 970200461 /nfs/dbraw/zinc/20/04/61/970200461.db2.gz YYQGGSPROIWZFI-MRXNPFEDSA-N 0 3 416.497 3.735 20 5 HHBDHN COc1cc(CNCCCC(=O)Nc2ccc(Cl)cc2)c([N+](=O)[O-])cc1OC ZINC000237145719 970231216 /nfs/dbraw/zinc/23/12/16/970231216.db2.gz RRMABRRHAAZOGX-UHFFFAOYSA-N 0 3 407.854 3.774 20 5 HHBDHN O=[N+]([O-])c1ccccc1CNC[C@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1 ZINC000237903239 970391465 /nfs/dbraw/zinc/39/14/65/970391465.db2.gz LUJKJXBVSLYZMX-LJQANCHMSA-N 0 3 409.408 3.777 20 5 HHBDHN O=[N+]([O-])c1cccc(-c2nc(CNCCCc3nnc4n3CCCCC4)cs2)c1 ZINC000238006466 970416488 /nfs/dbraw/zinc/41/64/88/970416488.db2.gz KXMWQDCWQHAOEY-UHFFFAOYSA-N 0 3 412.519 3.759 20 5 HHBDHN CC(C)Cc1ccc([C@@H](CNC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])N(C)C)cc1 ZINC000554664763 1014005531 /nfs/dbraw/zinc/00/55/31/1014005531.db2.gz VABPWHRJVLPHIY-QGZVFWFLSA-N 0 3 401.511 3.673 20 5 HHBDHN COc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)CN(C)Cc2ccccc2)cc1SC ZINC000554723354 1014031689 /nfs/dbraw/zinc/03/16/89/1014031689.db2.gz ABKDRJAZZPTEFJ-CQSZACIVSA-N 0 3 403.504 3.576 20 5 HHBDHN CNC(=O)c1ccc(NC[C@@H](c2cccs2)N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000301105637 970751353 /nfs/dbraw/zinc/75/13/53/970751353.db2.gz SXLLYPARVTUFBE-SFHVURJKSA-N 0 3 402.520 3.901 20 5 HHBDHN CC1CCN([C@H](CNC(=O)NCc2ccccc2[N+](=O)[O-])c2cccs2)CC1 ZINC000410158802 973649376 /nfs/dbraw/zinc/64/93/76/973649376.db2.gz SJHANYSDHWOHJC-GOSISDBHSA-N 0 3 402.520 3.929 20 5 HHBDHN COC(=O)c1ccccc1-c1ccc(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)o1 ZINC000425995676 974110215 /nfs/dbraw/zinc/11/02/15/974110215.db2.gz MGZLOEUYGONBDR-UHFFFAOYSA-N 0 3 410.430 3.675 20 5 HHBDHN O=C(Nc1cccc(CN2CC[C@H](O)C2)c1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000428534589 975830776 /nfs/dbraw/zinc/83/07/76/975830776.db2.gz GDEZJFVYZWUBCZ-IBGZPJMESA-N 0 3 413.477 3.500 20 5 HHBDHN O=[N+]([O-])c1ccc(CNC[C@H](CO)Cc2cccc(Br)c2)c(Cl)c1 ZINC000428540190 975842291 /nfs/dbraw/zinc/84/22/91/975842291.db2.gz ULFDZPHUQUSHFY-CYBMUJFWSA-N 0 3 413.699 3.952 20 5 HHBDHN O=C(Nc1cccc(CN2CC[C@H](O)C2)c1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000428549793 975858262 /nfs/dbraw/zinc/85/82/62/975858262.db2.gz HIDOGFFRKYIZSI-SFHVURJKSA-N 0 3 424.482 3.537 20 5 HHBDHN O=C(Nc1cccc(CN2CC[C@@H](O)C2)c1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000428549792 975858955 /nfs/dbraw/zinc/85/89/55/975858955.db2.gz HIDOGFFRKYIZSI-GOSISDBHSA-N 0 3 424.482 3.537 20 5 HHBDHN O=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000428703164 975994151 /nfs/dbraw/zinc/99/41/51/975994151.db2.gz VCBKAZGFGZQEQF-QGZVFWFLSA-N 0 3 418.881 3.661 20 5 HHBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000429605978 976888872 /nfs/dbraw/zinc/88/88/72/976888872.db2.gz AHQRWIOKMGNBSZ-IBGZPJMESA-N 0 3 412.490 3.624 20 5 HHBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000429607075 976890584 /nfs/dbraw/zinc/89/05/84/976890584.db2.gz CZRWRGNDLDNEFR-LJQANCHMSA-N 0 3 412.490 3.624 20 5 HHBDHN O=C(NCCCN1CCc2ccccc2C1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000429964692 977233910 /nfs/dbraw/zinc/23/39/10/977233910.db2.gz RFNRDVJSHVBNNJ-UHFFFAOYSA-N 0 3 418.291 3.536 20 5 HHBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(CCc1ccccn1)Cc1cccnc1 ZINC000430345609 977491420 /nfs/dbraw/zinc/49/14/20/977491420.db2.gz RICNPHZAFXHPGZ-UHFFFAOYSA-N 0 3 419.485 3.767 20 5 HHBDHN CN(C)CCN(Cc1cccc(F)c1)C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000430949004 977908614 /nfs/dbraw/zinc/90/86/14/977908614.db2.gz AUDVFWKLPRBABG-UHFFFAOYSA-N 0 3 424.270 3.700 20 5 HHBDHN CCc1ccc([C@H](CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])N(C)C)cc1 ZINC000431173816 978073209 /nfs/dbraw/zinc/07/32/09/978073209.db2.gz VXDXWYBZBVCXLM-SFHVURJKSA-N 0 3 420.307 3.952 20 5 HHBDHN Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000434315378 980076533 /nfs/dbraw/zinc/07/65/33/980076533.db2.gz JCQUWGDKLLYCPA-INIZCTEOSA-N 0 3 411.487 3.861 20 5 HHBDHN Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000434315379 980076778 /nfs/dbraw/zinc/07/67/78/980076778.db2.gz JCQUWGDKLLYCPA-MRXNPFEDSA-N 0 3 411.487 3.861 20 5 HHBDHN CN(C)C[C@@H]1CCc2ccccc2N1C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000436727171 981533719 /nfs/dbraw/zinc/53/37/19/981533719.db2.gz YAAOVJDPIIQXOV-FQEVSTJZSA-N 0 3 422.529 3.721 20 5 HHBDHN Cc1ccc([C@@H](CNC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)N2CCCC2)cc1 ZINC000460152190 981925849 /nfs/dbraw/zinc/92/58/49/981925849.db2.gz SHTXNEWLKTVPBL-OAQYLSRUSA-N 0 3 424.501 3.644 20 5 HHBDHN COc1cc(NC2CCN(CCOc3ccc([N+](=O)[O-])cc3)CC2)cc(OC)c1 ZINC000440543048 983790079 /nfs/dbraw/zinc/79/00/79/983790079.db2.gz JWWWLXWCVAXPEM-UHFFFAOYSA-N 0 3 401.463 3.567 20 5 HHBDHN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)cc1 ZINC000440910970 983967742 /nfs/dbraw/zinc/96/77/42/983967742.db2.gz FOTZJDLDQDXAFX-LSDHHAIUSA-N 0 3 411.458 3.751 20 5 HHBDHN COc1ccc(CN2CCCN(c3ccc([N+](=O)[O-])c(OC(F)F)c3)CC2)cc1 ZINC000462091430 985062725 /nfs/dbraw/zinc/06/27/25/985062725.db2.gz MVXKRMSRHVNXQG-UHFFFAOYSA-N 0 3 407.417 3.917 20 5 HHBDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000462182237 985161965 /nfs/dbraw/zinc/16/19/65/985161965.db2.gz SWWMLNADFINOFC-SUMWQHHRSA-N 0 3 418.291 3.608 20 5 HHBDHN C[C@@H](NC[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(Br)s1 ZINC000443329878 985499010 /nfs/dbraw/zinc/49/90/10/985499010.db2.gz MPKPYIBBPKZJMA-PWSUYJOCSA-N 0 3 401.282 3.509 20 5 HHBDHN COC(=O)c1ccccc1C(=O)c1ccc(N[C@H]2CCN(C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000462874200 985798442 /nfs/dbraw/zinc/79/84/42/985798442.db2.gz MIJOXVUYHSPKGI-ZBFHGGJFSA-N 0 3 411.458 3.507 20 5 HHBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000462984605 985933120 /nfs/dbraw/zinc/93/31/20/985933120.db2.gz BUENKAYVGSNHBO-UEXGIBASSA-N 0 3 417.550 3.511 20 5 HHBDHN CN(C)CCN(Cc1ccccc1F)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000443883692 986084341 /nfs/dbraw/zinc/08/43/41/986084341.db2.gz MXCRBHWDSXNRTA-UHFFFAOYSA-N 0 3 413.371 3.957 20 5 HHBDHN CC(C)C[C@H](CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)N(C)C ZINC000444008236 986203944 /nfs/dbraw/zinc/20/39/44/986203944.db2.gz FMDRFXRYMFZSAQ-OAHLLOKOSA-N 0 3 401.457 3.666 20 5 HHBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCc1cccc(NC(=O)Cn2cccn2)c1 ZINC000468653517 986365344 /nfs/dbraw/zinc/36/53/44/986365344.db2.gz WNMCLLIDBZVTPD-BOPFTXTBSA-N 0 3 405.458 3.623 20 5 HHBDHN CCN1CCN(c2ccc(NC(=O)Nc3ccc([N+](=O)[O-])cc3OC)c(C)c2)CC1 ZINC000444934245 987079109 /nfs/dbraw/zinc/07/91/09/987079109.db2.gz VJNHZZZVHAACIZ-UHFFFAOYSA-N 0 3 413.478 3.698 20 5 HHBDHN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000470113537 988015255 /nfs/dbraw/zinc/01/52/55/988015255.db2.gz QPEQHJCTUJOOPV-UHFFFAOYSA-N 0 3 404.364 3.661 20 5 HHBDHN Cc1c(NC(=O)[C@H](C)N2CC[C@@H](C)N(Cc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000464832849 989073753 /nfs/dbraw/zinc/07/37/53/989073753.db2.gz DFOHWNWRUJJLMJ-MJGOQNOKSA-N 0 3 410.518 3.827 20 5 HHBDHN COc1cc(C(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000471557916 989758461 /nfs/dbraw/zinc/75/84/61/989758461.db2.gz YLTPINLQCJHJTO-XIKOKIGWSA-N 0 3 423.416 3.626 20 5 HHBDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000467215292 992539864 /nfs/dbraw/zinc/53/98/64/992539864.db2.gz GWPVDRSVQZGJRU-AUUYWEPGSA-N 0 3 402.882 3.568 20 5 HHBDHN C[C@H](C(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000473530289 994387620 /nfs/dbraw/zinc/38/76/20/994387620.db2.gz YWVRIZJCHBRFSC-ZOODHJKOSA-N 0 3 417.403 3.759 20 5 HHBDHN Cc1cc(NC(=O)N2CCC(CCN3C[C@H](C)O[C@@H](C)C3)CC2)ccc1[N+](=O)[O-] ZINC000473781283 994703614 /nfs/dbraw/zinc/70/36/14/994703614.db2.gz DNKGLZKPCIMXIH-IRXDYDNUSA-N 0 3 404.511 3.646 20 5 HHBDHN Cc1cc(NC(=O)N2CCC(CCN3C[C@@H](C)O[C@H](C)C3)CC2)ccc1[N+](=O)[O-] ZINC000473781280 994703754 /nfs/dbraw/zinc/70/37/54/994703754.db2.gz DNKGLZKPCIMXIH-IAGOWNOFSA-N 0 3 404.511 3.646 20 5 HHBDHN COC(=O)COc1ccc(CN[C@H](c2ccc(F)c(C)c2)C2CC2)cc1[N+](=O)[O-] ZINC000473983606 994971076 /nfs/dbraw/zinc/97/10/76/994971076.db2.gz MMDBUKFVEKGJLR-NRFANRHFSA-N 0 3 402.422 3.835 20 5 HHBDHN CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)C[C@@H]1N1CCCC1 ZINC000483374461 996135718 /nfs/dbraw/zinc/13/57/18/996135718.db2.gz AKOVLPFCXQUQID-HKUYNNGSSA-N 0 3 423.604 3.995 20 5 HHBDHN COC(=O)COc1ccc(CN2CC[C@@H](CSc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000475700954 996309379 /nfs/dbraw/zinc/30/93/79/996309379.db2.gz KQAJHIZLNQFYPF-QGZVFWFLSA-N 0 3 416.499 3.761 20 5 HHBDHN CSc1cccc(N(C(=O)COc2cccc([N+](=O)[O-])c2)C2CCN(C)CC2)c1 ZINC000484297032 996686597 /nfs/dbraw/zinc/68/65/97/996686597.db2.gz OKVPOJVFIOYMMO-UHFFFAOYSA-N 0 3 415.515 3.823 20 5 HHBDHN O=C(CCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)Nc1ccccc1C(F)(F)F ZINC000485670752 998126223 /nfs/dbraw/zinc/12/62/23/998126223.db2.gz NQUMOMRTXXVKKD-CYBMUJFWSA-N 0 3 423.395 3.524 20 5 HHBDHN COc1cccc([C@@H](CNC(=O)NCc2cccc([N+](=O)[O-])c2C)N2CCCC2)c1 ZINC000478450100 998965871 /nfs/dbraw/zinc/96/58/71/998965871.db2.gz AVTVODUGBUXTTO-OAQYLSRUSA-N 0 3 412.490 3.548 20 5 HHBDHN O=C(NC[C@H]1CCCN1Cc1ccccc1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000487354183 999144943 /nfs/dbraw/zinc/14/49/43/999144943.db2.gz PRXRLLSNPXPKOY-JOCHJYFZSA-N 0 3 408.502 3.933 20 5 HHBDHN COc1cccc(CN(CCN(C)C)C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000479698304 999543260 /nfs/dbraw/zinc/54/32/60/999543260.db2.gz CCMGPTJMDARUGE-QGZVFWFLSA-N 0 3 414.506 3.746 20 5 HHBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(CN2CCC(O)CC2)c1 ZINC000488689519 999573915 /nfs/dbraw/zinc/57/39/15/999573915.db2.gz LQJPUEKMPOTWGA-OAHLLOKOSA-N 0 3 415.515 3.671 20 5 HHBDHN CN(C)C[C@@H](NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000488896973 999639867 /nfs/dbraw/zinc/63/98/67/999639867.db2.gz KCAABMMKKMHPCR-MRXNPFEDSA-N 0 3 409.845 3.575 20 5 HHBDHN CN(C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)C1CCN(Cc2ccccc2)CC1 ZINC000489312835 999743651 /nfs/dbraw/zinc/74/36/51/999743651.db2.gz LDYCADOIKHKABY-UHFFFAOYSA-N 0 3 419.428 3.933 20 5 HHBDHN COc1cc(CNC[C@@](C)(O)C2CCCCC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000480453689 999802739 /nfs/dbraw/zinc/80/27/39/999802739.db2.gz FKDRXKXRUXLOHQ-GOSISDBHSA-N 0 3 420.428 3.965 20 5 HHBDHN O=C(NCc1ccccc1CN1CCC(O)CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000489810949 999842504 /nfs/dbraw/zinc/84/25/04/999842504.db2.gz PMAHKWKPLYUSOK-UHFFFAOYSA-N 0 3 418.881 3.527 20 5 HHBDHN COc1cc(N[C@H]2CCCN(CCOc3ccccc3[N+](=O)[O-])C2)cc(OC)c1 ZINC000490048391 999884838 /nfs/dbraw/zinc/88/48/38/999884838.db2.gz LUUOILCTCVNVKS-INIZCTEOSA-N 0 3 401.463 3.567 20 5 HHBDHN O=C(NCCCN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)c1cccc(O)c1 ZINC000490141159 999899268 /nfs/dbraw/zinc/89/92/68/999899268.db2.gz AIJHIEJYOWODFA-JOCHJYFZSA-N 0 3 405.454 3.800 20 5 HHBDHN C[C@H]1C[C@@H](NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CN1Cc1ccccc1 ZINC000491322889 1000065112 /nfs/dbraw/zinc/06/51/12/1000065112.db2.gz LQEDYMYZTOVWQW-FXAWDEMLSA-N 0 3 408.502 3.932 20 5 HHBDHN Cc1csc(Sc2ccc(C(=O)N3CC[C@H]4CCN(C)C[C@@H]43)cc2[N+](=O)[O-])n1 ZINC000493343309 1000169636 /nfs/dbraw/zinc/16/96/36/1000169636.db2.gz FFHHTVNHOXHOEU-CJNGLKHVSA-N 0 3 418.544 3.677 20 5 HHBDHN C[C@@H]1[C@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000494046867 1000282400 /nfs/dbraw/zinc/28/24/00/1000282400.db2.gz HFDVBWCWQJPRIM-CXAGYDPISA-N 0 3 418.291 3.750 20 5 HHBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])NCc1ccccc1S(=O)(=O)N(C)C ZINC000504894398 1000433264 /nfs/dbraw/zinc/43/32/64/1000433264.db2.gz LHHJQRAEXHWOIJ-INIZCTEOSA-N 0 3 423.560 3.506 20 5 HHBDHN C[C@@H]1C[C@@H](NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)CN1Cc1ccccc1 ZINC000495007854 1000775743 /nfs/dbraw/zinc/77/57/43/1000775743.db2.gz PUAPSEFMBYKQDK-YLJYHZDGSA-N 0 3 408.502 3.932 20 5 HHBDHN CCN1CCN(c2ccc(C(=O)N(Cc3ccc([N+](=O)[O-])cc3)C3CC3)cc2)CC1 ZINC000497576796 1001443214 /nfs/dbraw/zinc/44/32/14/1001443214.db2.gz RVERMRWCRCNTDH-UHFFFAOYSA-N 0 3 408.502 3.542 20 5 HHBDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000507612765 1002218936 /nfs/dbraw/zinc/21/89/36/1002218936.db2.gz ILCHREQUGDMVRY-RXVVDRJESA-N 0 3 422.529 3.763 20 5 HHBDHN CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)c1csc([N+](=O)[O-])c1 ZINC000499358283 1002756671 /nfs/dbraw/zinc/75/66/71/1002756671.db2.gz QIHPXDGWPMNBFH-UHFFFAOYSA-N 0 3 401.410 3.879 20 5 HHBDHN Cc1ccc([C@H](CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)N2CCCC2)cc1 ZINC000499398364 1002786279 /nfs/dbraw/zinc/78/62/79/1002786279.db2.gz AOAVFOJVAKUJOB-QFIPXVFZSA-N 0 3 406.486 3.811 20 5 HHBDHN O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000508574444 1003038298 /nfs/dbraw/zinc/03/82/98/1003038298.db2.gz YZYHAIZZFOJBMA-FQEVSTJZSA-N 0 3 421.419 3.708 20 5 HHBDHN O=C(COc1ccccc1)N1CC[C@@H](NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000509426033 1003852493 /nfs/dbraw/zinc/85/24/93/1003852493.db2.gz PBUKLRKFVISBGB-GOSISDBHSA-N 0 3 421.453 3.624 20 5 HHBDHN CC[C@@H](C)N[C@H](CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccco1 ZINC000509558476 1003944694 /nfs/dbraw/zinc/94/46/94/1003944694.db2.gz QXEVBFIJUCZERT-CRAIPNDOSA-N 0 3 400.479 3.991 20 5 HHBDHN CCOc1cc(C(=O)N[C@H]2CCN([C@H](C)c3ccccc3)C2)c([N+](=O)[O-])cc1OC ZINC000500847834 1004000085 /nfs/dbraw/zinc/00/00/85/1004000085.db2.gz TUUDPZACNUHJLR-WBVHZDCISA-N 0 3 413.474 3.567 20 5 HHBDHN CCC[C@H](C)NC(=O)[C@H]1CCCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000512522495 1004358996 /nfs/dbraw/zinc/35/89/96/1004358996.db2.gz VFBUTXAWCSWYMU-WMZOPIPTSA-N 0 3 413.522 3.512 20 5 HHBDHN O=C(CCN[C@H]1CCOc2c(Br)cccc21)Nc1ccc([N+](=O)[O-])cc1 ZINC000501506114 1004474915 /nfs/dbraw/zinc/47/49/15/1004474915.db2.gz VJSCOBACNMZHAZ-INIZCTEOSA-N 0 3 420.263 3.799 20 5 HHBDHN CC[C@H](CNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1)N1CCc2ccccc2C1 ZINC000510899340 1004920314 /nfs/dbraw/zinc/92/03/14/1004920314.db2.gz UAWPXHGZAFJWAJ-OAQYLSRUSA-N 0 3 410.518 3.616 20 5 HHBDHN COc1ccccc1O[C@H]1CCCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000513364907 1004927200 /nfs/dbraw/zinc/92/72/00/1004927200.db2.gz BSKLCRCKGMYBPL-SFHVURJKSA-N 0 3 413.474 3.784 20 5 HHBDHN C[C@H]1[C@@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)CCN1Cc1ccccc1 ZINC000502158879 1004929486 /nfs/dbraw/zinc/92/94/86/1004929486.db2.gz QTYMWHIAJFHYBG-LIRRHRJNSA-N 0 3 402.882 3.710 20 5 HHBDHN Cn1cc(CN2CC[C@@H](n3ncc4ccccc43)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000513385595 1004937211 /nfs/dbraw/zinc/93/72/11/1004937211.db2.gz YBYMFOMHRUPLRQ-HXUWFJFHSA-N 0 3 402.458 3.792 20 5 HHBDHN CCOc1ccc([C@H](C)N[C@H]2CCCN(C(=O)Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000511042079 1004993879 /nfs/dbraw/zinc/99/38/79/1004993879.db2.gz ATUGVEWHYRQYNY-PXNSSMCTSA-N 0 3 411.502 3.878 20 5 HHBDHN CC(C)N1CCN(c2cccc(NC(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)c2)CC1 ZINC000502868634 1005250874 /nfs/dbraw/zinc/25/08/74/1005250874.db2.gz JFMYRCLPGFKKLZ-UHFFFAOYSA-N 0 3 421.501 3.719 20 5 HHBDHN Cc1cccc(N2CCN(CCCCNC(=O)Nc3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000503203992 1005368056 /nfs/dbraw/zinc/36/80/56/1005368056.db2.gz JRYVJDJQWUVJNL-UHFFFAOYSA-N 0 3 411.506 3.627 20 5 HHBDHN CC(C)N1CCN(c2cccc(NC(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)c2)CC1 ZINC000503766403 1005490876 /nfs/dbraw/zinc/49/08/76/1005490876.db2.gz WIUGRSJASLMULF-UHFFFAOYSA-N 0 3 407.474 3.859 20 5 HHBDHN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H](Cn1ccccc1=O)c1ccccc1 ZINC000503940606 1005515957 /nfs/dbraw/zinc/51/59/57/1005515957.db2.gz AZLAZVFIWJGGHZ-UWJYYQICSA-N 0 3 420.469 3.505 20 5 HHBDHN CC(C)N1CCN(c2cccc(NC(=O)c3c[nH]c4ccc([N+](=O)[O-])cc34)c2)CC1 ZINC000504199491 1005572183 /nfs/dbraw/zinc/57/21/83/1005572183.db2.gz PDLCOZABZJGNJF-UHFFFAOYSA-N 0 3 407.474 3.859 20 5 HHBDHN CN(C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000514640972 1006068676 /nfs/dbraw/zinc/06/86/76/1006068676.db2.gz ZNWBKTXNPKNLCP-HXUWFJFHSA-N 0 3 421.501 3.535 20 5 HHBDHN O=[N+]([O-])c1ccc(-c2ccc(CNCCNc3cnccn3)o2)c(Br)c1 ZINC000531863324 1006484060 /nfs/dbraw/zinc/48/40/60/1006484060.db2.gz IWCNNMNTROIGEG-UHFFFAOYSA-N 0 3 418.251 3.609 20 5 HHBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H]1c1nnc(-c2ccccc2)[n-]1 ZINC000534571692 1006560696 /nfs/dbraw/zinc/56/06/96/1006560696.db2.gz DMUZDOWSZDNJCL-IBGZPJMESA-N 0 3 420.473 3.854 20 5 HHBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H]1c1nnc(-c2ccccc2)[n-]1 ZINC000534571692 1006560705 /nfs/dbraw/zinc/56/07/05/1006560705.db2.gz DMUZDOWSZDNJCL-IBGZPJMESA-N 0 3 420.473 3.854 20 5 HHBDHN CC1CCN([C@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)c2ccccc2)CC1 ZINC000516139034 1006911571 /nfs/dbraw/zinc/91/15/71/1006911571.db2.gz ITKOCRMBQQAUKR-LJQANCHMSA-N 0 3 400.454 3.519 20 5 HHBDHN CN(c1ccccc1)c1ccc(CN2CC[C@H](CN3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000538734557 1007016227 /nfs/dbraw/zinc/01/62/27/1007016227.db2.gz KPXVNBGAIOVHSX-HXUWFJFHSA-N 0 3 410.518 3.517 20 5 HHBDHN Cn1cc(CN2CCC(OC[C@H]3CCCCO3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000538761361 1007045786 /nfs/dbraw/zinc/04/57/86/1007045786.db2.gz YQFNMQCJSBBJJW-OAQYLSRUSA-N 0 3 414.506 3.545 20 5 HHBDHN C[C@@H]1C[C@@H](CCNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CN1Cc1ccccc1 ZINC000538764633 1007049600 /nfs/dbraw/zinc/04/96/00/1007049600.db2.gz RAJXZSLKTDHFSJ-GDBMZVCRSA-N 0 3 423.560 3.772 20 5 HHBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000532644301 1007063399 /nfs/dbraw/zinc/06/33/99/1007063399.db2.gz WQTYKGWDWRUJMB-UHFFFAOYSA-N 0 3 421.457 3.598 20 5 HHBDHN O=C(NC[C@H](c1cccs1)N1CCCC1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000535278069 1007329380 /nfs/dbraw/zinc/32/93/80/1007329380.db2.gz PCHIGBOXXRAVIA-GOSISDBHSA-N 0 3 400.504 3.561 20 5 HHBDHN Cc1ccc([C@H](CNC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)N2CCCC2)cc1 ZINC000535291152 1007342512 /nfs/dbraw/zinc/34/25/12/1007342512.db2.gz ZOJTWZPJXYHZET-QFIPXVFZSA-N 0 3 408.502 3.808 20 5 HHBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000539050938 1007347955 /nfs/dbraw/zinc/34/79/55/1007347955.db2.gz UKNHQWGEICJBBM-OLZOCXBDSA-N 0 3 405.442 3.608 20 5 HHBDHN COc1cc2c(cc1OC)CN(CCc1ncc(-c3cccc([N+](=O)[O-])c3)o1)CC2 ZINC000533238325 1007558542 /nfs/dbraw/zinc/55/85/42/1007558542.db2.gz QFWALALHCAUZCR-UHFFFAOYSA-N 0 3 409.442 3.868 20 5 HHBDHN O=C1[C@H](NCc2ccc(-c3ccccc3[N+](=O)[O-])s2)CCCN1CC(F)(F)F ZINC000533307450 1007624356 /nfs/dbraw/zinc/62/43/56/1007624356.db2.gz DVSMOTHBCIAVKC-CQSZACIVSA-N 0 3 413.421 3.966 20 5 HHBDHN O=C(CN[C@@H](C[C@H]1CCOC1)c1ccccc1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000539328517 1007627770 /nfs/dbraw/zinc/62/77/70/1007627770.db2.gz UIMAFOIFGCNONF-KDOFPFPSSA-N 0 3 403.866 3.944 20 5 HHBDHN COc1ccc(C[C@H](C)CN(C)[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000535628381 1007631056 /nfs/dbraw/zinc/63/10/56/1007631056.db2.gz PGFJSKHFHVBYMN-JKSUJKDBSA-N 0 3 415.490 3.750 20 5 HHBDHN Cc1c(NC(=O)CCN2CCC[C@H]2c2cccc3c2OCCO3)cccc1[N+](=O)[O-] ZINC000533399284 1007709568 /nfs/dbraw/zinc/70/95/68/1007709568.db2.gz YCRINQYZIVCWJX-IBGZPJMESA-N 0 3 411.458 3.840 20 5 HHBDHN COc1cc(CNC[C@H](O)C2CCCCC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000518278927 1008236537 /nfs/dbraw/zinc/23/65/37/1008236537.db2.gz LOBORISESIURMS-HNNXBMFYSA-N 0 3 406.401 3.575 20 5 HHBDHN Cc1cc(CN(C)C)cc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000533970247 1008240904 /nfs/dbraw/zinc/24/09/04/1008240904.db2.gz CPNPOWPYIMXQLC-NRFANRHFSA-N 0 3 424.501 3.517 20 5 HHBDHN COc1cc(CNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)ccc1OC(F)F ZINC000540513763 1008463081 /nfs/dbraw/zinc/46/30/81/1008463081.db2.gz OYBPLAXLUUXWDY-UHFFFAOYSA-N 0 3 418.400 3.895 20 5 HHBDHN COc1cc(CN[C@H](C)[C@@H]2COc3ccccc32)c([N+](=O)[O-])cc1OCC(F)F ZINC000543553723 1009157940 /nfs/dbraw/zinc/15/79/40/1009157940.db2.gz VEXVPBFZENYMID-DOMZBBRYSA-N 0 3 408.401 3.902 20 5 HHBDHN Cc1ccc([C@@H](CNC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)N2CCCC2)cc1 ZINC000549556369 1009174254 /nfs/dbraw/zinc/17/42/54/1009174254.db2.gz ZUEZDTPSUWWCKH-JOCHJYFZSA-N 0 3 410.518 3.924 20 5 HHBDHN COc1cc(CNC[C@H](C)c2nccs2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000543643654 1009248079 /nfs/dbraw/zinc/24/80/79/1009248079.db2.gz LZNUHYFAPDQFAZ-JTQLQIEISA-N 0 3 405.398 3.894 20 5 HHBDHN CNc1ccc(C(=O)N(CCN(C)C)Cc2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000520106292 1009262480 /nfs/dbraw/zinc/26/24/80/1009262480.db2.gz SNXQVBZKXVEZFK-UHFFFAOYSA-N 0 3 424.423 3.859 20 5 HHBDHN COc1ccc2c(c1)C[C@H](C)N(CCCn1c3cc([N+](=O)[O-])ccc3oc1=O)[C@H]2C ZINC000543806369 1009369277 /nfs/dbraw/zinc/36/92/77/1009369277.db2.gz BCDYOPUVSPSPPS-GJZGRUSLSA-N 0 3 411.458 3.909 20 5 HHBDHN CCN1CCN(c2ccc(NC(=O)Nc3ccc(OC)c([N+](=O)[O-])c3)c(C)c2)CC1 ZINC000543890983 1009469064 /nfs/dbraw/zinc/46/90/64/1009469064.db2.gz KVWHXYAWJMXDOJ-UHFFFAOYSA-N 0 3 413.478 3.698 20 5 HHBDHN CCOc1cc(CN[C@H]2CCC[C@H]2F)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000549938065 1009548928 /nfs/dbraw/zinc/54/89/28/1009548928.db2.gz SEIKKHVABVOIBT-SJORKVTESA-N 0 3 406.458 3.558 20 5 HHBDHN COc1cc(CNCCc2nccnc2C)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000550275658 1009826250 /nfs/dbraw/zinc/82/62/50/1009826250.db2.gz JXOBWKNBTUELCS-UHFFFAOYSA-N 0 3 408.458 3.613 20 5 HHBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])N[C@@H]1CCCc2cn(CCOC)nc21 ZINC000546934684 1009893947 /nfs/dbraw/zinc/89/39/47/1009893947.db2.gz FELUNFOFLUQEDI-DLBZAZTESA-N 0 3 404.536 3.976 20 5 HHBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000550707624 1010116820 /nfs/dbraw/zinc/11/68/20/1010116820.db2.gz UJFHYHYZRWEOFP-UHFFFAOYSA-N 0 3 420.897 3.530 20 5 HHBDHN CS[C@H]1CN(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)C[C@@H]1N(C)C ZINC000544790410 1010385410 /nfs/dbraw/zinc/38/54/10/1010385410.db2.gz IZBSFWFODZNNAX-OALUTQOASA-N 0 3 416.503 3.896 20 5 HHBDHN CCN(C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000544850428 1010435590 /nfs/dbraw/zinc/43/55/90/1010435590.db2.gz AYNAPEJHBJUHQP-OAQYLSRUSA-N 0 3 419.485 3.517 20 5 HHBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000521573495 1010473259 /nfs/dbraw/zinc/47/32/59/1010473259.db2.gz WMSVSLKJRVRGEZ-OAHLLOKOSA-N 0 3 405.495 3.805 20 5 HHBDHN O=C(c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)N1CC[C@H](N2CCCCC2)C1 ZINC000521690095 1010553701 /nfs/dbraw/zinc/55/37/01/1010553701.db2.gz PPQWQGLQFWQVME-FQEVSTJZSA-N 0 3 408.502 3.907 20 5 HHBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@H](c1cccc(Cl)c1)N1CCOCC1 ZINC000521829825 1010644471 /nfs/dbraw/zinc/64/44/71/1010644471.db2.gz WYISJFOFVRQDFU-HXUWFJFHSA-N 0 3 419.909 3.810 20 5 HHBDHN COc1ccc(Cn2nc(C)c(CNCCOc3ccc([N+](=O)[O-])cc3)c2C)cc1 ZINC000545212912 1010686372 /nfs/dbraw/zinc/68/63/72/1010686372.db2.gz CQOSWLZOIXSKTC-UHFFFAOYSA-N 0 3 410.474 3.634 20 5 HHBDHN CC(C)N1C[C@H](NCc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000540617714 1011270468 /nfs/dbraw/zinc/27/04/68/1011270468.db2.gz BPQVLBFBCJXAOW-LJQANCHMSA-N 0 3 419.485 3.546 20 5 HHBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3ccccc3)C[C@@H]2CO)nc1-c1ccccc1 ZINC000536389445 1011597590 /nfs/dbraw/zinc/59/75/90/1011597590.db2.gz ABGDGOCTQOXWHL-RTWAWAEBSA-N 0 3 418.497 3.952 20 5 HHBDHN Cc1ccc([C@H](C)NC[C@H](O)COc2ccccc2Br)cc1[N+](=O)[O-] ZINC000536848787 1012078898 /nfs/dbraw/zinc/07/88/98/1012078898.db2.gz ZXCZDIFQOMWHEX-ZFWWWQNUSA-N 0 3 409.280 3.756 20 5 HHBDHN CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000552269829 1012281371 /nfs/dbraw/zinc/28/13/71/1012281371.db2.gz UDPJNXDTXLQVLD-HLRQEUIKSA-N 0 3 409.486 3.641 20 5 HHBDHN CCCN(CC(F)(F)F)C(=O)[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000541770474 1012636213 /nfs/dbraw/zinc/63/62/13/1012636213.db2.gz FJVRRTSIHPWIAZ-INIZCTEOSA-N 0 3 401.429 3.916 20 5 HHBDHN COc1cc(CN2CCC3(CCOCC3)[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000541784776 1012655313 /nfs/dbraw/zinc/65/53/13/1012655313.db2.gz JENHRXLBESUQNY-ZDUSSCGKSA-N 0 3 400.422 3.638 20 5 HHBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCN(c3ccnc4ccccc43)CC2)c1 ZINC000571602201 1072675938 /nfs/dbraw/zinc/67/59/38/1072675938.db2.gz MPKHTJMMBQXGSP-UHFFFAOYSA-N 0 3 406.442 3.504 20 5 HHBDHN CC[C@H]1CN(C)CCCN1C(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000590345052 1073749890 /nfs/dbraw/zinc/74/98/90/1073749890.db2.gz KLHLLWYIWZDTLD-AEFFLSMTSA-N 0 3 411.506 3.719 20 5 HHBDHN CN1C[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3NCc3ccccc3Cl)[C@@H]2C1 ZINC000590447033 1073839253 /nfs/dbraw/zinc/83/92/53/1073839253.db2.gz XYOJHXRSALDFDX-FOIQADDNSA-N 0 3 414.893 3.636 20 5 HHBDHN COc1ccc(CNC[C@@H](O)Cn2c3ccccc3c3ccccc32)cc1[N+](=O)[O-] ZINC000555912009 1073953462 /nfs/dbraw/zinc/95/34/62/1073953462.db2.gz PFWNLFMJYQDWPS-QGZVFWFLSA-N 0 3 405.454 3.862 20 5 HHBDHN COc1cc(CN2CC[C@H](Nc3ccc([N+](=O)[O-])c4cccnc34)C2)cc(OC)c1 ZINC000301588572 970992960 /nfs/dbraw/zinc/99/29/60/970992960.db2.gz XPUVUEYCWKHTFQ-INIZCTEOSA-N 0 3 408.458 3.847 20 5 HHBDHN COC(=O)[C@]1(C)CCN(Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1 ZINC000537623130 1013171152 /nfs/dbraw/zinc/17/11/52/1013171152.db2.gz XOBMHXJTFBFUMF-JOCHJYFZSA-N 0 3 414.458 3.567 20 5 HHBDHN Cc1ccc(S(=O)(=O)N(C)[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000303871812 972412913 /nfs/dbraw/zinc/41/29/13/972412913.db2.gz XQCOGDIWOKRMOP-PKOBYXMFSA-N 0 3 417.531 3.577 20 5 HHBDHN CCOc1cc(CN2CCC23CCC3)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000537635663 1013191129 /nfs/dbraw/zinc/19/11/29/1013191129.db2.gz IXXDFPNTBCVRLN-UHFFFAOYSA-N 0 3 400.479 3.706 20 5 HHBDHN O=[N+]([O-])c1cc2c(ncnc2NCCCCN2CCN(c3ccccc3)CC2)s1 ZINC000553294851 1013252159 /nfs/dbraw/zinc/25/21/59/1013252159.db2.gz SBYHBOLJSBIBRL-UHFFFAOYSA-N 0 3 412.519 3.614 20 5 HHBDHN CC1CCN([C@@H](CNC(=O)COc2ccccc2[N+](=O)[O-])c2cccs2)CC1 ZINC000010448136 961824208 /nfs/dbraw/zinc/82/42/08/961824208.db2.gz ZUCDDMNECDDHBX-KRWDZBQOSA-N 0 3 403.504 3.625 20 5 HHBDHN CN(C)[C@H](CNC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1 ZINC000016599807 963072589 /nfs/dbraw/zinc/07/25/89/963072589.db2.gz SZXPWENAOXQIRO-GOSISDBHSA-N 0 3 424.423 3.835 20 5 HHBDHN CN(C)[C@@H](CNC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1 ZINC000016599806 963072964 /nfs/dbraw/zinc/07/29/64/963072964.db2.gz SZXPWENAOXQIRO-SFHVURJKSA-N 0 3 424.423 3.835 20 5 HHBDHN Cc1nn(Cc2ccc(C(=O)Nc3ccccc3CN(C)C)cc2)c(C)c1[N+](=O)[O-] ZINC000024810541 964080653 /nfs/dbraw/zinc/08/06/53/964080653.db2.gz DYKIMCLWKURACK-UHFFFAOYSA-N 0 3 407.474 3.770 20 5 HHBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2Cc3ccccc3[C@H](c3ccccc3)C2)c1 ZINC000025288216 964226807 /nfs/dbraw/zinc/22/68/07/964226807.db2.gz BMTGWTIZXHSNRA-URXFXBBRSA-N 0 3 404.466 3.982 20 5 HHBDHN CCOc1ccc(C(=O)NC[C@H](C(C)C)N2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000025917883 964390672 /nfs/dbraw/zinc/39/06/72/964390672.db2.gz SAPSNIACBDZZQK-OAQYLSRUSA-N 0 3 411.502 3.806 20 5 HHBDHN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCN(CC2CCCCC2)CC1 ZINC000064129887 967059967 /nfs/dbraw/zinc/05/99/67/967059967.db2.gz JMKCMGRWLZHVID-HNNXBMFYSA-N 0 3 408.930 3.773 20 5 HHBDHN O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000542869314 1013722335 /nfs/dbraw/zinc/72/23/35/1013722335.db2.gz VLZUCYFVTAOXJC-KRWDZBQOSA-N 0 3 405.401 3.763 20 5 HHBDHN CC(C)Oc1ccc([C@H](CNC(=O)CSc2ccc([N+](=O)[O-])cc2)N(C)C)cc1 ZINC000554039562 1013768998 /nfs/dbraw/zinc/76/89/98/1013768998.db2.gz RTBSIEBTNQKTSZ-FQEVSTJZSA-N 0 3 417.531 3.893 20 5 HHBDHN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000538271628 1013811449 /nfs/dbraw/zinc/81/14/49/1013811449.db2.gz JEMNEXWSLGANJK-IYBDPMFKSA-N 0 3 409.552 3.715 20 5 HHBDHN C[C@@H]1C[C@H]1N1CCN(C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000554132839 1013814338 /nfs/dbraw/zinc/81/43/38/1013814338.db2.gz WGTMAHUCGKLALU-YZZKKUAISA-N 0 3 423.513 3.976 20 5 HHBDHN C[C@H]1C[C@H]1N1CCN(C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000554132837 1013814442 /nfs/dbraw/zinc/81/44/42/1013814442.db2.gz WGTMAHUCGKLALU-IUKKYPGJSA-N 0 3 423.513 3.976 20 5 HHBDHN CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000065939060 968730252 /nfs/dbraw/zinc/73/02/52/968730252.db2.gz RVFBLXNNXOKVOO-UHFFFAOYSA-N 0 3 409.408 3.747 20 5 HHBDHN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCCN(Cc2ccccc2)CC1 ZINC000105521168 969243298 /nfs/dbraw/zinc/24/32/98/969243298.db2.gz NECXFMXIGPMIAD-INIZCTEOSA-N 0 3 416.909 3.783 20 5 HHBDHN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CC[C@@H](N3CCCC3)C2)cc1 ZINC000110514614 969680656 /nfs/dbraw/zinc/68/06/56/969680656.db2.gz SAQUDSXNGXDCAM-QGZVFWFLSA-N 0 3 411.458 3.706 20 5 HHBDHN Cc1nn(Cc2ccc(C(=O)N(CCN(C)C)c3ccccc3)cc2)c(C)c1[N+](=O)[O-] ZINC000116140749 969875141 /nfs/dbraw/zinc/87/51/41/969875141.db2.gz AGKVKIDPMDEGBI-UHFFFAOYSA-N 0 3 421.501 3.665 20 5 HHBDHN COc1cc(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)ccc1OCCO ZINC000237262657 970250867 /nfs/dbraw/zinc/25/08/67/970250867.db2.gz GXTHLSIPIPPOOD-UHFFFAOYSA-N 0 3 414.483 3.993 20 5 HHBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(Cc1cccs1)C[C@@H]1CCCO1 ZINC000150211716 970435228 /nfs/dbraw/zinc/43/52/28/970435228.db2.gz DOUNMZKKXGEOHG-KRWDZBQOSA-N 0 3 403.504 3.975 20 5 HHBDHN O=[N+]([O-])c1cc(Cl)ccc1N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000301126259 970761160 /nfs/dbraw/zinc/76/11/60/970761160.db2.gz UCZYZRNYBPHFOS-KRWDZBQOSA-N 0 3 415.925 3.682 20 5 HHBDHN O=[N+]([O-])c1cc(Cl)ccc1N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000301126261 970761206 /nfs/dbraw/zinc/76/12/06/970761206.db2.gz UCZYZRNYBPHFOS-QGZVFWFLSA-N 0 3 415.925 3.682 20 5 HHBDHN CCCn1ccnc1CCCN(C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000429256090 976544645 /nfs/dbraw/zinc/54/46/45/976544645.db2.gz PELMXAIGJLRDAU-AWEZNQCLSA-N 0 3 407.902 3.746 20 5 HHBDHN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN[C@@H]2Cc3cccc(O)c3C2)cc1OC ZINC000429295098 976575327 /nfs/dbraw/zinc/57/53/27/976575327.db2.gz AICBDKRFZJFNHD-WMLDXEAASA-N 0 3 400.475 3.991 20 5 HHBDHN CCO[C@@H]1C[C@@H](N[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C12CCCCC2 ZINC000429787031 977067702 /nfs/dbraw/zinc/06/77/02/977067702.db2.gz MKHMDWBKBWTJEF-NIKGAXFTSA-N 0 3 405.495 3.648 20 5 HHBDHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000430946560 977907211 /nfs/dbraw/zinc/90/72/11/977907211.db2.gz WYGYZZHMOBDOOM-UHFFFAOYSA-N 0 3 424.270 3.700 20 5 HHBDHN COc1ccc(-c2ccc(CN(C)CCCNC(=O)C3CCC3)o2)c([N+](=O)[O-])c1 ZINC000432790384 978975265 /nfs/dbraw/zinc/97/52/65/978975265.db2.gz WJHQYSQOWZNZPI-UHFFFAOYSA-N 0 3 401.463 3.602 20 5 HHBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000435369465 980818577 /nfs/dbraw/zinc/81/85/77/980818577.db2.gz LHLKNIRCBOVYNQ-LJQANCHMSA-N 0 3 405.458 3.799 20 5 HHBDHN Cc1ccc(C(=O)Nc2ccnn2[C@H]2CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000435372140 980821718 /nfs/dbraw/zinc/82/17/18/980821718.db2.gz ZZGVCNVNCDICHI-IBGZPJMESA-N 0 3 405.458 3.799 20 5 HHBDHN CN(C)Cc1ccccc1CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000435818378 981044277 /nfs/dbraw/zinc/04/42/77/981044277.db2.gz SCVXNKCDTIHFCH-UHFFFAOYSA-N 0 3 421.447 3.951 20 5 HHBDHN COc1ccc([C@H](CNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])N(C)C)cc1OC ZINC000436266266 981276776 /nfs/dbraw/zinc/27/67/76/981276776.db2.gz NUIDMKASVWAZAI-ZDUSSCGKSA-N 0 3 414.384 3.741 20 5 HHBDHN CCOc1ccc([C@H](C)[NH2+]C2CCN(C(=O)c3ccccc3[O-])CC2)cc1[N+](=O)[O-] ZINC000436576969 981455901 /nfs/dbraw/zinc/45/59/01/981455901.db2.gz NOFYMWNZVWDDDD-HNNXBMFYSA-N 0 3 413.474 3.655 20 5 HHBDHN C[C@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CCN1Cc1ccccc1 ZINC000437457690 982090673 /nfs/dbraw/zinc/09/06/73/982090673.db2.gz FPJKKOJHYACNOZ-INIZCTEOSA-N 0 3 401.894 3.914 20 5 HHBDHN CC(C)C1CCC(N2CCN([C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000438554901 982895342 /nfs/dbraw/zinc/89/53/42/982895342.db2.gz QSLWCCOFZOBIFV-PGYGNJIDSA-N 0 3 402.539 3.754 20 5 HHBDHN C[C@H](c1ccncc1)N1CCC(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC1 ZINC000439732804 983518681 /nfs/dbraw/zinc/51/86/81/983518681.db2.gz BETYSMJBZSRQAP-OAHLLOKOSA-N 0 3 409.490 3.520 20 5 HHBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)C1CCN(CCc2ccccn2)CC1 ZINC000462928677 985864407 /nfs/dbraw/zinc/86/44/07/985864407.db2.gz YBXJGIHVVBYGBV-HXUWFJFHSA-N 0 3 424.545 3.724 20 5 HHBDHN CC(C)OC(=O)C[C@@H]1CCCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000468471378 986164887 /nfs/dbraw/zinc/16/48/87/986164887.db2.gz VEPQYVJZZWMHOS-INIZCTEOSA-N 0 3 400.479 3.549 20 5 HHBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCc1cccc(C(=O)NC[C@H]2CCCO2)c1 ZINC000468642493 986357578 /nfs/dbraw/zinc/35/75/78/986357578.db2.gz RVYMRBSHXMFXKY-JRVGGCGHSA-N 0 3 409.486 3.697 20 5 HHBDHN CC(C)N1CCN(c2ccc(C(=O)Nc3ccc4cc([N+](=O)[O-])ccc4n3)cc2)CC1 ZINC000468990876 986697032 /nfs/dbraw/zinc/69/70/32/986697032.db2.gz MYZOTXBNWRFZDD-UHFFFAOYSA-N 0 3 419.485 3.926 20 5 HHBDHN Cc1cc(Br)ccc1CN(C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000444698902 986873225 /nfs/dbraw/zinc/87/32/25/986873225.db2.gz DHULLFNKLDOJPE-INIZCTEOSA-N 0 3 409.280 3.537 20 5 HHBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])NCc1ccc(S(C)(=O)=O)s1 ZINC000469269730 986988511 /nfs/dbraw/zinc/98/85/11/986988511.db2.gz UWRLAYLAGKKKGS-GFCCVEGCSA-N 0 3 400.547 3.720 20 5 HHBDHN COC(=O)[C@H]1CCN(Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)[C@H]1C ZINC000470153351 988062870 /nfs/dbraw/zinc/06/28/70/988062870.db2.gz SDLYARNDJKSPGT-KXBFYZLASA-N 0 3 414.458 3.566 20 5 HHBDHN O=C([C@H]1CCCN1Cc1ccccc1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464658790 988850522 /nfs/dbraw/zinc/85/05/22/988850522.db2.gz FYDSKOSKOYNMPH-JOCHJYFZSA-N 0 3 409.486 3.629 20 5 HHBDHN C[C@H]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCN1Cc1ccccc1 ZINC000464840691 989085665 /nfs/dbraw/zinc/08/56/65/989085665.db2.gz VWNSALGSMPEBIM-INIZCTEOSA-N 0 3 416.909 3.783 20 5 HHBDHN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000467228582 992551479 /nfs/dbraw/zinc/55/14/79/992551479.db2.gz IVLBALGCILPKNZ-IBGZPJMESA-N 0 3 402.882 3.885 20 5 HHBDHN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)NC[C@H](c1ccccc1)N1CCCC1 ZINC000467228584 992551772 /nfs/dbraw/zinc/55/17/72/992551772.db2.gz IVLBALGCILPKNZ-LJQANCHMSA-N 0 3 402.882 3.885 20 5 HHBDHN Cn1cc(CN2CCC(O)(Cc3cccc(F)c3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000473066997 993988178 /nfs/dbraw/zinc/98/81/78/993988178.db2.gz PPZFQTZWDMTGHX-UHFFFAOYSA-N 0 3 424.476 3.704 20 5 HHBDHN O=C(NC1CC(N2CCC(C(F)(F)F)CC2)C1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000473519347 994373754 /nfs/dbraw/zinc/37/37/54/994373754.db2.gz NIBJKIDDVYYDHC-UHFFFAOYSA-N 0 3 411.380 3.876 20 5 HHBDHN O=C(NC1CC(N2CCC(C(F)(F)F)CC2)C1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000473523020 994379017 /nfs/dbraw/zinc/37/90/17/994379017.db2.gz RBZIMGYQNFAXJT-UHFFFAOYSA-N 0 3 410.396 3.611 20 5 HHBDHN O=C(NC1CC(N2CCC(C(F)(F)F)CC2)C1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000473534079 994392903 /nfs/dbraw/zinc/39/29/03/994392903.db2.gz UMWHNLNOYDXPOT-UHFFFAOYSA-N 0 3 405.804 3.783 20 5 HHBDHN CCC[C@@H](NCc1ccccc1N1CCN(C(C)=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000482016705 994926808 /nfs/dbraw/zinc/92/68/08/994926808.db2.gz MLFKONCWBFCAKP-JOCHJYFZSA-N 0 3 410.518 3.894 20 5 HHBDHN COC(=O)COc1ccc(CN[C@@H](c2ccc(F)cc2)C2CCC2)cc1[N+](=O)[O-] ZINC000474351840 995331127 /nfs/dbraw/zinc/33/11/27/995331127.db2.gz CPPWZPPYFVWHOR-OAQYLSRUSA-N 0 3 402.422 3.917 20 5 HHBDHN CCO[C@@H]1C[C@@H](NCc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)[C@@H]1OC ZINC000482498750 995509865 /nfs/dbraw/zinc/50/98/65/995509865.db2.gz BUSDYFHJBLKZCH-XPNTWCBSSA-N 0 3 422.485 3.730 20 5 HHBDHN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000482913345 995842724 /nfs/dbraw/zinc/84/27/24/995842724.db2.gz YNXXIBAGWPKEJI-QGZVFWFLSA-N 0 3 419.884 3.958 20 5 HHBDHN CN(C(=O)c1ccc([N+](=O)[O-])cc1Br)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475297745 996053318 /nfs/dbraw/zinc/05/33/18/996053318.db2.gz DLRPPXYHJILQFJ-MRXNPFEDSA-N 0 3 418.291 3.704 20 5 HHBDHN CN(C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475314781 996064606 /nfs/dbraw/zinc/06/46/06/996064606.db2.gz IFNXRUIWEXSBNB-HXUWFJFHSA-N 0 3 408.502 3.542 20 5 HHBDHN COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)cc1SC ZINC000483470789 996201176 /nfs/dbraw/zinc/20/11/76/996201176.db2.gz PFRJYCBRBLSAIE-GOEBONIOSA-N 0 3 415.515 3.891 20 5 HHBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000475567589 996222676 /nfs/dbraw/zinc/22/26/76/996222676.db2.gz DGTDUFZBVDBLOV-CALCHBBNSA-N 0 3 404.511 3.565 20 5 HHBDHN COC(=O)c1cc(NC(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)c(C)c([N+](=O)[O-])c1 ZINC000483597142 996276076 /nfs/dbraw/zinc/27/60/76/996276076.db2.gz ZABDPKFGSJMDES-KUHUBIRLSA-N 0 3 414.462 3.503 20 5 HHBDHN COc1cc(CN[C@H]2CCCC[C@@H]2n2cccn2)c([N+](=O)[O-])cc1OCC(F)F ZINC000484626100 996959585 /nfs/dbraw/zinc/95/95/85/996959585.db2.gz XZVRVXXPIXKEIV-GJZGRUSLSA-N 0 3 410.421 3.717 20 5 HHBDHN Cc1ccccc1O[C@H]1CCCC[C@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000484634921 996970197 /nfs/dbraw/zinc/97/01/97/996970197.db2.gz HQCBDPTVMQYXHJ-CTNGQTDRSA-N 0 3 418.515 3.657 20 5 HHBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H]1CCCC[C@@H]1Oc1cccc(C)c1 ZINC000484640535 996975100 /nfs/dbraw/zinc/97/51/00/996975100.db2.gz HHDJEKSMJRRAJF-ICSRJNTNSA-N 0 3 413.474 3.830 20 5 HHBDHN Cc1ccc(CN(C)[C@@H](C)c2ccc(N3CCCS3(=O)=O)cc2)cc1[N+](=O)[O-] ZINC000485707765 998173608 /nfs/dbraw/zinc/17/36/08/998173608.db2.gz YFYVFLRQQVHASH-INIZCTEOSA-N 0 3 403.504 3.636 20 5 HHBDHN O=[N+]([O-])c1ccc(CNC[C@@H](CO)Cc2cccc(OC(F)(F)F)c2)c(F)c1 ZINC000478172778 998801387 /nfs/dbraw/zinc/80/13/87/998801387.db2.gz IIGNGCMIVWXXOU-ZDUSSCGKSA-N 0 3 402.344 3.573 20 5 HHBDHN COc1cccc([C@H](CNC(=O)NCc2cccc([N+](=O)[O-])c2C)N2CCCC2)c1 ZINC000478450098 998966007 /nfs/dbraw/zinc/96/60/07/998966007.db2.gz AVTVODUGBUXTTO-NRFANRHFSA-N 0 3 412.490 3.548 20 5 HHBDHN CCN(C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000487671776 999248753 /nfs/dbraw/zinc/24/87/53/999248753.db2.gz DBJHMLIAMCGKOA-YJBOKZPZSA-N 0 3 411.458 3.621 20 5 HHBDHN COc1cc(CNCC2(OC)CCCCC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000479429487 999412070 /nfs/dbraw/zinc/41/20/70/999412070.db2.gz ZOKYTIQHUAWHSR-UHFFFAOYSA-N 0 3 406.401 3.983 20 5 HHBDHN O=[N+]([O-])c1cccc(-c2cnc(CCN3CCC[C@H](Oc4ncccc4F)C3)o2)c1 ZINC000489006193 999669931 /nfs/dbraw/zinc/66/99/31/999669931.db2.gz FBOXNMNHIWLKBD-KRWDZBQOSA-N 0 3 412.421 3.870 20 5 HHBDHN COc1ccc(NC(=O)NC[C@H](c2ccc(OC(C)C)cc2)N(C)C)cc1[N+](=O)[O-] ZINC000480317676 999769984 /nfs/dbraw/zinc/76/99/84/999769984.db2.gz HVPJQSIZLAXSOQ-LJQANCHMSA-N 0 3 416.478 3.815 20 5 HHBDHN CCCCN1CCCC[C@H]1CNc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl ZINC000480508105 999814732 /nfs/dbraw/zinc/81/47/32/999814732.db2.gz DRBKJTMKRLNEMV-KRWDZBQOSA-N 0 3 419.913 3.861 20 5 HHBDHN CCCOc1cc(NC(=O)N2CC[C@H]3CCN(C)C[C@H]32)c([N+](=O)[O-])cc1OCCC ZINC000490790737 1000006547 /nfs/dbraw/zinc/00/65/47/1000006547.db2.gz FSXMTSOITRDYAT-CRAIPNDOSA-N 0 3 420.510 3.730 20 5 HHBDHN C[C@@H]1C[C@H](NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CN1Cc1ccccc1 ZINC000491322898 1000065169 /nfs/dbraw/zinc/06/51/69/1000065169.db2.gz LQEDYMYZTOVWQW-XLIONFOSSA-N 0 3 408.502 3.932 20 5 HHBDHN CCN1CCN(c2ccc(F)cc2[C@@H](C)NCc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000492835387 1000146109 /nfs/dbraw/zinc/14/61/09/1000146109.db2.gz TXGZJBBSWVBGGB-MRXNPFEDSA-N 0 3 416.497 3.735 20 5 HHBDHN CCOc1cc(CN2C[C@H]3CCC[C@@]3(c3nc(CC4CC4)no3)C2)ccc1[N+](=O)[O-] ZINC000493570841 1000179611 /nfs/dbraw/zinc/17/96/11/1000179611.db2.gz CDRWXZKZDFVJMW-VGOFRKELSA-N 0 3 412.490 3.883 20 5 HHBDHN COc1cc(CNCCc2cc(F)cc(F)c2)c([N+](=O)[O-])cc1OCC(F)F ZINC000494631495 1000582076 /nfs/dbraw/zinc/58/20/76/1000582076.db2.gz JKSBAQYVLUVNEE-UHFFFAOYSA-N 0 3 402.344 3.858 20 5 HHBDHN O=[N+]([O-])c1cccc([C@H](NC[C@@H]2C[C@@H](O)CN2Cc2ccccc2)c2ccccc2)c1 ZINC000494969376 1000756905 /nfs/dbraw/zinc/75/69/05/1000756905.db2.gz MBPCARREFBOVJL-ISJGIBHGSA-N 0 3 417.509 3.909 20 5 HHBDHN C[C@H](CNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N(C)Cc1ccccc1 ZINC000495002114 1000772372 /nfs/dbraw/zinc/77/23/72/1000772372.db2.gz VZMGEVGIESHBPQ-CQSZACIVSA-N 0 3 424.423 3.933 20 5 HHBDHN C[C@@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1)[C@H](c1ccccc1)N(C)C ZINC000505573270 1000913682 /nfs/dbraw/zinc/91/36/82/1000913682.db2.gz AZYDATLKKNOWIG-SJKOYZFVSA-N 0 3 406.280 3.779 20 5 HHBDHN O=[N+]([O-])c1ccc(-c2nc(CN3CCC(CCCN4CCOCC4)CC3)co2)cc1 ZINC000506021052 1001168038 /nfs/dbraw/zinc/16/80/38/1001168038.db2.gz AQIBDQZGVOHRIX-UHFFFAOYSA-N 0 3 414.506 3.574 20 5 HHBDHN COc1cc(C(=O)N(CCN2CCCC2)Cc2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000496832294 1001235215 /nfs/dbraw/zinc/23/52/15/1001235215.db2.gz QMASOGALONGDPR-UHFFFAOYSA-N 0 3 417.893 3.995 20 5 HHBDHN CCN1CCN(Cc2ccc(NC(=O)c3c(Cl)cccc3[N+](=O)[O-])cc2)CC1 ZINC000497637607 1001467955 /nfs/dbraw/zinc/46/79/55/1001467955.db2.gz UPHILOZBOOZCRM-UHFFFAOYSA-N 0 3 402.882 3.638 20 5 HHBDHN CN1CCC(N(Cc2ccco2)C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000498466553 1001895293 /nfs/dbraw/zinc/89/52/93/1001895293.db2.gz CSTBJJUAMGUTHG-UHFFFAOYSA-N 0 3 420.897 3.690 20 5 HHBDHN CN(c1ccccc1)c1ccc(CNCCNC(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000507904587 1002439335 /nfs/dbraw/zinc/43/93/35/1002439335.db2.gz QJYKFXKVGGGFTO-UHFFFAOYSA-N 0 3 404.470 3.882 20 5 HHBDHN COc1cc(CNCCc2ccccc2O)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000508059851 1002580639 /nfs/dbraw/zinc/58/06/39/1002580639.db2.gz DPRDGNCWSSMHQV-UHFFFAOYSA-N 0 3 400.353 3.582 20 5 HHBDHN CCOc1cc(C(=O)NCCN2CCC3(CCCCC3)CC2)c([N+](=O)[O-])cc1OC ZINC000508317912 1002823710 /nfs/dbraw/zinc/82/37/10/1002823710.db2.gz QWXIMJHHFWSWRU-UHFFFAOYSA-N 0 3 419.522 3.778 20 5 HHBDHN COC(=O)[C@@H]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000508596868 1003055522 /nfs/dbraw/zinc/05/55/22/1003055522.db2.gz VPMOHHZUCNXKDL-LLVKDONJSA-N 0 3 409.236 3.612 20 5 HHBDHN COc1ccc(CN(C)CCc2cnccn2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000508636730 1003086491 /nfs/dbraw/zinc/08/64/91/1003086491.db2.gz GHQUFCYOESALPL-UHFFFAOYSA-N 0 3 408.458 3.647 20 5 HHBDHN COc1ccc([C@H](CN2CCCC2)NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)cc1 ZINC000500386156 1003682246 /nfs/dbraw/zinc/68/22/46/1003682246.db2.gz MWSAWXDGLYKHMF-IBGZPJMESA-N 0 3 408.458 3.652 20 5 HHBDHN CC(=O)Nc1ccc(OC[C@H](O)CN(Cc2cccc([N+](=O)[O-])c2C)C(C)C)cc1 ZINC000500397111 1003691852 /nfs/dbraw/zinc/69/18/52/1003691852.db2.gz BJWYWDPOPLIMFB-HXUWFJFHSA-N 0 3 415.490 3.512 20 5 HHBDHN CN(C(=O)c1cc2cc([N+](=O)[O-])ccc2o1)C1CCN(CCc2ccccn2)CC1 ZINC000500759459 1003940949 /nfs/dbraw/zinc/94/09/49/1003940949.db2.gz YNHWLRRLHFAHLH-UHFFFAOYSA-N 0 3 408.458 3.515 20 5 HHBDHN CCOc1cc(N(C)C[C@@H]2CCCN(CC)[C@H]2c2cnn(C)c2)ccc1[N+](=O)[O-] ZINC000509611078 1003978461 /nfs/dbraw/zinc/97/84/61/1003978461.db2.gz YXILXMJXBRFYJE-HRAATJIYSA-N 0 3 401.511 3.636 20 5 HHBDHN O=[N+]([O-])c1cc(CN[C@H]2CCC[C@H]2Oc2cc(F)cc(F)c2)c2c(c1)COCO2 ZINC000513062474 1004786428 /nfs/dbraw/zinc/78/64/28/1004786428.db2.gz GIQPGLZVERFSNF-RBUKOAKNSA-N 0 3 406.385 3.829 20 5 HHBDHN O=C(CCN1CCC[C@H](OCc2ccccc2F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000501872970 1004789476 /nfs/dbraw/zinc/78/94/76/1004789476.db2.gz TXTBPORYGOKULI-KRWDZBQOSA-N 0 3 401.438 3.744 20 5 HHBDHN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000514184904 1005302666 /nfs/dbraw/zinc/30/26/66/1005302666.db2.gz AAMGOLLETQMPKL-OAHLLOKOSA-N 0 3 419.428 3.933 20 5 HHBDHN O=[N+]([O-])c1cccc(-c2noc(CN3C[C@H](c4ccccc4)[C@H]4COCC[C@H]43)n2)c1 ZINC000511760715 1005311515 /nfs/dbraw/zinc/31/15/15/1005311515.db2.gz HEGWTLHPXXAIPY-VAMGGRTRSA-N 0 3 406.442 3.649 20 5 HHBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H](Cn1ccccc1=O)c1ccccc1 ZINC000503940605 1005516032 /nfs/dbraw/zinc/51/60/32/1005516032.db2.gz AZLAZVFIWJGGHZ-UTKZUKDTSA-N 0 3 420.469 3.505 20 5 HHBDHN Cc1ccc(CN(CCN(C)C)C(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000504018753 1005533501 /nfs/dbraw/zinc/53/35/01/1005533501.db2.gz FETRIQWHQIICAZ-AWEZNQCLSA-N 0 3 409.870 3.507 20 5 HHBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC(c2nc3cc(Cl)ccc3s2)CC1 ZINC000534135074 1006114679 /nfs/dbraw/zinc/11/46/79/1006114679.db2.gz FZEXDNPCTPCGFH-UHFFFAOYSA-N 0 3 418.906 3.899 20 5 HHBDHN CC(C)Cc1ccc([C@@H](CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)N(C)C)cc1 ZINC000514984359 1006238233 /nfs/dbraw/zinc/23/82/33/1006238233.db2.gz HZSZJBDRKJTZNF-LJQANCHMSA-N 0 3 413.474 3.555 20 5 HHBDHN COc1cc(CNCCc2nc(C)c(C)s2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000531661001 1006337488 /nfs/dbraw/zinc/33/74/88/1006337488.db2.gz FTRTUYWWPIHPCT-UHFFFAOYSA-N 0 3 419.425 3.950 20 5 HHBDHN Cc1ccccc1-c1nn(-c2ccccc2)cc1CNCCn1cc([N+](=O)[O-])cn1 ZINC000538427140 1006693255 /nfs/dbraw/zinc/69/32/55/1006693255.db2.gz XSBCQSZWMOVRPW-UHFFFAOYSA-N 0 3 402.458 3.742 20 5 HHBDHN COC(=O)[C@@H]1CC12CCN(Cc1ccc(-c3ccc(OC)cc3[N+](=O)[O-])o1)CC2 ZINC000538727578 1007006258 /nfs/dbraw/zinc/00/62/58/1007006258.db2.gz CQARESQERGLPIT-KRWDZBQOSA-N 0 3 400.431 3.639 20 5 HHBDHN COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(CN(C)C)c1 ZINC000534991941 1007052070 /nfs/dbraw/zinc/05/20/70/1007052070.db2.gz FYNKEXJYXHADOR-UHFFFAOYSA-N 0 3 417.487 3.564 20 5 HHBDHN CC(C)(C)OC(=O)C1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000532942005 1007313027 /nfs/dbraw/zinc/31/30/27/1007313027.db2.gz QKLLTOBIRRDTDK-UHFFFAOYSA-N 0 3 401.463 3.846 20 5 HHBDHN C[C@H](NCC(=O)Nc1ccc2nc(C(F)(F)F)[nH]c2c1)c1cccc([N+](=O)[O-])c1 ZINC000539279995 1007576281 /nfs/dbraw/zinc/57/62/81/1007576281.db2.gz NMUCQIDYCGMZAR-JTQLQIEISA-N 0 3 407.352 3.779 20 5 HHBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000533263583 1007580000 /nfs/dbraw/zinc/58/00/00/1007580000.db2.gz DXNJEKQBVUGYDY-LJQANCHMSA-N 0 3 411.458 3.840 20 5 HHBDHN C[C@@H]1CN(Cc2ccccc2)CCCN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000533293667 1007608365 /nfs/dbraw/zinc/60/83/65/1007608365.db2.gz ZANNZMQJLJXCQX-QGZVFWFLSA-N 0 3 407.474 3.741 20 5 HHBDHN O=C(CNC1(c2cccc(Cl)c2)CCCC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000539324726 1007622507 /nfs/dbraw/zinc/62/25/07/1007622507.db2.gz JRWODVDEQUFQNK-UHFFFAOYSA-N 0 3 417.849 3.975 20 5 HHBDHN O=C(NCC1(N2CCCCC2)CCOCC1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000517699105 1007912401 /nfs/dbraw/zinc/91/24/01/1007912401.db2.gz DEMMKZPBEPNEIB-UHFFFAOYSA-N 0 3 403.504 3.574 20 5 HHBDHN Cn1cc(CNCc2ccc(Cn3cccn3)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000539956980 1008205135 /nfs/dbraw/zinc/20/51/35/1008205135.db2.gz BROUPEJVTTZZRT-UHFFFAOYSA-N 0 3 402.458 3.530 20 5 HHBDHN Cc1ccc([C@H](C)NCCNC(=O)c2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000540182463 1008326301 /nfs/dbraw/zinc/32/63/01/1008326301.db2.gz PXEKUFZINGOFJM-ZDUSSCGKSA-N 0 3 406.280 3.746 20 5 HHBDHN C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc(N3CCCN(C)CC3)nc2)no1 ZINC000545647630 1008742737 /nfs/dbraw/zinc/74/27/37/1008742737.db2.gz NDSQJQSDDOKSIV-PEZBUJJGSA-N 0 3 420.473 3.742 20 5 HHBDHN CCN1CCN(c2ccc(NC(=O)[C@@H](C)c3ccc([N+](=O)[O-])cc3F)c(C)c2)CC1 ZINC000543440774 1009027775 /nfs/dbraw/zinc/02/77/75/1009027775.db2.gz KZOYKXXLVXMTPM-INIZCTEOSA-N 0 3 414.481 3.926 20 5 HHBDHN C[C@H](CN1CCCC1=O)NCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000520205312 1009340647 /nfs/dbraw/zinc/34/06/47/1009340647.db2.gz IODLSWQTGZQJBK-GFCCVEGCSA-N 0 3 422.279 3.718 20 5 HHBDHN C[C@@H](CN1CCCC1=O)NCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000520205313 1009340818 /nfs/dbraw/zinc/34/08/18/1009340818.db2.gz IODLSWQTGZQJBK-LBPRGKRZSA-N 0 3 422.279 3.718 20 5 HHBDHN CCN(C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000546889706 1009849444 /nfs/dbraw/zinc/84/94/44/1009849444.db2.gz NEOUXWSRPOMCMD-HXUWFJFHSA-N 0 3 408.502 3.906 20 5 HHBDHN COc1ccc(-c2ccc(CNCCOc3ccc4c(c3)OCO4)o2)c([N+](=O)[O-])c1 ZINC000520949515 1010001097 /nfs/dbraw/zinc/00/10/97/1010001097.db2.gz FCNLGWLQPKQRHR-UHFFFAOYSA-N 0 3 412.398 3.761 20 5 HHBDHN C[C@@H](Cc1ccc(C(F)(F)F)cc1)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000544574015 1010203259 /nfs/dbraw/zinc/20/32/59/1010203259.db2.gz GJEOBBOGVUXAQT-ZDUSSCGKSA-N 0 3 416.421 3.608 20 5 HHBDHN CCN1CCN(Cc2ccc(NC(=O)[C@H](C)c3ccc([N+](=O)[O-])cc3F)cc2)CC1 ZINC000544608990 1010235543 /nfs/dbraw/zinc/23/55/43/1010235543.db2.gz ILYGIVMCPYBJBN-MRXNPFEDSA-N 0 3 414.481 3.614 20 5 HHBDHN CCN(C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)[C@H]1CCN(Cc2ccccc2)C1 ZINC000544873927 1010454450 /nfs/dbraw/zinc/45/44/50/1010454450.db2.gz UBRGOIOHQAVVBT-SFHVURJKSA-N 0 3 420.469 3.585 20 5 HHBDHN C[C@H](NC(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000521779991 1010613265 /nfs/dbraw/zinc/61/32/65/1010613265.db2.gz MVAIJJJLFIIHGQ-KRWDZBQOSA-N 0 3 418.538 3.769 20 5 HHBDHN COc1cc([N+](=O)[O-])c(C(=O)NC[C@H](C)N(C)Cc2ccccc2)cc1SC ZINC000521957473 1010735508 /nfs/dbraw/zinc/73/55/08/1010735508.db2.gz KDDSTYUNTAPBEG-AWEZNQCLSA-N 0 3 403.504 3.576 20 5 HHBDHN O=C(NCc1cccc([N+](=O)[O-])c1)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000522243809 1010885040 /nfs/dbraw/zinc/88/50/40/1010885040.db2.gz LEPRUWZJKFKRPU-IBGZPJMESA-N 0 3 407.392 3.666 20 5 HHBDHN Cc1cc(C(=O)NC2CCN(CCOc3ccc(Cl)cc3)CC2)ccc1[N+](=O)[O-] ZINC000522872384 1011316254 /nfs/dbraw/zinc/31/62/54/1011316254.db2.gz TXFNGNUOFCNWTK-UHFFFAOYSA-N 0 3 417.893 3.830 20 5 HHBDHN NC(=O)[C@H](CNCc1ccc(-c2cccc([N+](=O)[O-])c2)o1)Cc1ccccc1Cl ZINC000540716286 1011367177 /nfs/dbraw/zinc/36/71/77/1011367177.db2.gz IGKYLWKMBMBGCX-INIZCTEOSA-N 0 3 413.861 3.942 20 5 HHBDHN CN(C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000541027796 1011663601 /nfs/dbraw/zinc/66/36/01/1011663601.db2.gz DEHSIFSREIQKHD-MRXNPFEDSA-N 0 3 405.401 3.543 20 5 HHBDHN COC(=O)[C@H](C)Oc1ccc(CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000536678873 1011841020 /nfs/dbraw/zinc/84/10/20/1011841020.db2.gz NVCOXHHOAXGATE-INIZCTEOSA-N 0 3 414.458 3.579 20 5 HHBDHN O=[N+]([O-])c1ccc(-c2ccc(CN[C@@H](C3CC3)[C@]3(CO)CCCO3)o2)c(Cl)c1 ZINC000552146938 1012167900 /nfs/dbraw/zinc/16/79/00/1012167900.db2.gz DZZGQJDYEBKRMK-VQTJNVASSA-N 0 3 406.866 3.918 20 5 HHBDHN COc1ccc(OCCN[C@@H](C)c2c(C)nn(CC(F)(F)F)c2C)c([N+](=O)[O-])c1 ZINC000541603792 1012402520 /nfs/dbraw/zinc/40/25/20/1012402520.db2.gz ZMIPIYAXAFGDSX-NSHDSACASA-N 0 3 416.400 3.709 20 5 HHBDHN CCN1CCN(c2ccc(F)cc2[C@H](C)NCc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000537107081 1012477193 /nfs/dbraw/zinc/47/71/93/1012477193.db2.gz HMVSCCLNYZGUPE-INIZCTEOSA-N 0 3 416.497 3.735 20 5 HHBDHN CCOc1ccc(NC(=O)CN[C@@H](C[C@@H]2CCOC2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000537125892 1012507696 /nfs/dbraw/zinc/50/76/96/1012507696.db2.gz LUQDREADCFGBJJ-JXFKEZNVSA-N 0 3 413.474 3.690 20 5 HHBDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000537262931 1012713909 /nfs/dbraw/zinc/71/39/09/1012713909.db2.gz JLRNSEZMNQMUBQ-DYESRHJHSA-N 0 3 416.481 3.907 20 5 HHBDHN O=[N+]([O-])c1ccccc1/C=C\CNCc1cc(Br)c2c(c1)OCCO2 ZINC000537288659 1012745448 /nfs/dbraw/zinc/74/54/48/1012745448.db2.gz MCDYFHLFZZZHCC-HYXAFXHYSA-N 0 3 405.248 3.932 20 5 HHBDHN Cc1cc(S(=O)(=O)N(C)[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000524122230 1012899520 /nfs/dbraw/zinc/89/95/20/1012899520.db2.gz JPNUPPQPHZIYIT-IEBWSBKVSA-N 0 3 417.531 3.577 20 5 HHBDHN COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)cc1SC ZINC000571714335 1072701448 /nfs/dbraw/zinc/70/14/48/1072701448.db2.gz QTVATUJYDNRIEC-RHSMWYFYSA-N 0 3 415.515 3.718 20 5 HHBDHN CN(C)C(=O)C[C@@H](NCCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)c1ccccc1 ZINC000571987957 1072963974 /nfs/dbraw/zinc/96/39/74/1072963974.db2.gz VLTRJOFGCOVHTA-LJQANCHMSA-N 0 3 408.458 3.602 20 5 HHBDHN CN1CCC(N(C[C@H](O)CC(C)(C)C)C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000588824624 1073280219 /nfs/dbraw/zinc/28/02/19/1073280219.db2.gz FJCRIBVGTYTVBC-GOSISDBHSA-N 0 3 411.930 3.582 20 5 HHBDHN C[C@@H](NC[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccc(F)c(Br)c1 ZINC000590193879 1073641124 /nfs/dbraw/zinc/64/11/24/1073641124.db2.gz WINCORUMLGKPEE-YPMHNXCESA-N 0 3 413.243 3.587 20 5 HHBDHN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCCN2c3ccccc3C[C@@H]2C1 ZINC000574202673 1075174414 /nfs/dbraw/zinc/17/44/14/1075174414.db2.gz KKEUPUJZISKVKM-DNVCBOLYSA-N 0 3 405.458 3.843 20 5 HHBDHN Cc1cc(N2CC[C@@H]3[C@@H]2CCN3Cc2cccnc2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164733358 720451491 /nfs/dbraw/zinc/45/14/91/720451491.db2.gz PIASNGPSRIUBTK-RTWAWAEBSA-N 0 3 416.485 3.608 20 5 HHBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000303753039 972005312 /nfs/dbraw/zinc/00/53/12/972005312.db2.gz CHZJIRSJMIIAED-IEBWSBKVSA-N 0 3 417.531 3.577 20 5 HHBDHN Cc1nc(COc2ccc(CN3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)cc2)no1 ZINC000537632588 1013186938 /nfs/dbraw/zinc/18/69/38/1013186938.db2.gz FEMYIHZQKABGJG-UHFFFAOYSA-N 0 3 424.457 3.909 20 5 HHBDHN CC1CCN(c2ccc(C(=O)NCc3ccccc3CN(C)C)cc2[N+](=O)[O-])CC1 ZINC000009917263 961712242 /nfs/dbraw/zinc/71/22/42/961712242.db2.gz SIXXZMVMHXBDLQ-UHFFFAOYSA-N 0 3 410.518 3.823 20 5 HHBDHN CCN1CCN(c2ccc(NC(=O)c3cc(SC)ccc3[N+](=O)[O-])cc2)CC1 ZINC000011951675 962213861 /nfs/dbraw/zinc/21/38/61/962213861.db2.gz QOSKUEJOJDKLPL-UHFFFAOYSA-N 0 3 400.504 3.711 20 5 HHBDHN CN(C)CCN(Cc1ccccc1)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000050628490 964367183 /nfs/dbraw/zinc/36/71/83/964367183.db2.gz CGJZHOQDIUKQLZ-UHFFFAOYSA-N 0 3 410.499 3.922 20 5 HHBDHN Cc1ccc(C(=O)NC2CCN(CCCOc3ccc([N+](=O)[O-])cc3)CC2)s1 ZINC000051098052 964463894 /nfs/dbraw/zinc/46/38/94/964463894.db2.gz LXMXGHHCPLIJJY-UHFFFAOYSA-N 0 3 403.504 3.628 20 5 HHBDHN Cc1ccccc1CN1CCCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000052666783 964946355 /nfs/dbraw/zinc/94/63/55/964946355.db2.gz DVWVCZVIDOOLHA-UHFFFAOYSA-N 0 3 407.474 3.661 20 5 HHBDHN C[C@H](Nc1ccc(C(=O)NCCN2CCCC[C@H]2C)cc1[N+](=O)[O-])c1ccccn1 ZINC000053809761 965276896 /nfs/dbraw/zinc/27/68/96/965276896.db2.gz GAMFEEPOIUTTIX-SJORKVTESA-N 0 3 411.506 3.767 20 5 HHBDHN C[C@H](Nc1ccc(C(=O)NCCN2CCC(C)CC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000053809480 965277318 /nfs/dbraw/zinc/27/73/18/965277318.db2.gz MKVABTMOECDDMP-KRWDZBQOSA-N 0 3 411.506 3.625 20 5 HHBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000060089828 966060044 /nfs/dbraw/zinc/06/00/44/966060044.db2.gz LUPZGCDCYJIYHG-IBGZPJMESA-N 0 3 411.458 3.840 20 5 HHBDHN Cc1nccn1-c1ccc([C@@H](C)N[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000542885127 1013732687 /nfs/dbraw/zinc/73/26/87/1013732687.db2.gz PFQPMNZBVXZWSH-QVKFZJNVSA-N 0 3 405.458 3.545 20 5 HHBDHN CN(C)CCN(Cc1ccccc1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000047864967 968345941 /nfs/dbraw/zinc/34/59/41/968345941.db2.gz OVICSTGDMLSHSG-UHFFFAOYSA-N 0 3 408.405 3.792 20 5 HHBDHN Cc1ccc([N-]S(=O)(=O)c2ccc(N[C@@H](C)CC[NH+](C)C)c([N+](=O)[O-])c2)c(C)c1 ZINC000065945412 968732947 /nfs/dbraw/zinc/73/29/47/968732947.db2.gz QUVOBPZIRWQRHI-INIZCTEOSA-N 0 3 420.535 3.765 20 5 HHBDHN Cc1cc(C(=O)N(CCN(C)C)Cc2ccc(Br)cc2)cc([N+](=O)[O-])c1 ZINC000195695808 969964772 /nfs/dbraw/zinc/96/47/72/969964772.db2.gz OANOEYPFAPWVQZ-UHFFFAOYSA-N 0 3 420.307 3.870 20 5 HHBDHN COc1ccc(CNCCOc2ncc(C(F)(F)F)cc2Cl)cc1[N+](=O)[O-] ZINC000237150520 970231757 /nfs/dbraw/zinc/23/17/57/970231757.db2.gz ZJMSGHITCNWDMY-UHFFFAOYSA-N 0 3 405.760 3.839 20 5 HHBDHN Cc1ccc(CNCc2cc(C(F)(F)F)ccc2N2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000237233047 970245703 /nfs/dbraw/zinc/24/57/03/970245703.db2.gz WEFZHXQBKPYRNI-UHFFFAOYSA-N 0 3 422.451 3.964 20 5 HHBDHN C[C@H]1CN([C@@H](CNCc2ccccc2[N+](=O)[O-])c2c(F)cccc2Cl)CCO1 ZINC000237649505 970329492 /nfs/dbraw/zinc/32/94/92/970329492.db2.gz WLDXDZQKSWQFEM-LIRRHRJNSA-N 0 3 407.873 3.939 20 5 HHBDHN O=[N+]([O-])c1cccc(-c2nc(CNC[C@H]3CCN(CC(F)(F)F)C3)cs2)c1 ZINC000237867416 970385903 /nfs/dbraw/zinc/38/59/03/970385903.db2.gz PXGUUXIRECOZFA-GFCCVEGCSA-N 0 3 400.426 3.692 20 5 HHBDHN COc1cc(Br)ccc1CN[C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000427842951 975317068 /nfs/dbraw/zinc/31/70/68/975317068.db2.gz LGXGERWENFKYTK-LBPRGKRZSA-N 0 3 422.279 3.873 20 5 HHBDHN CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(CN2CC[C@H](O)C2)c1 ZINC000428536566 975835126 /nfs/dbraw/zinc/83/51/26/975835126.db2.gz JQQVQFZPUHUTHM-SFHVURJKSA-N 0 3 415.515 3.916 20 5 HHBDHN O=[N+]([O-])c1ccc(NC[C@@H]2CN(Cc3ccccc3)CCCO2)cc1OC(F)F ZINC000428675131 975968600 /nfs/dbraw/zinc/96/86/00/975968600.db2.gz KSLRRWDQGLRKFA-QGZVFWFLSA-N 0 3 407.417 3.899 20 5 HHBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCN(c2cccc(F)c2)C[C@H]1C ZINC000429226420 976518362 /nfs/dbraw/zinc/51/83/62/976518362.db2.gz KXHVOJBXXZJINL-MRXNPFEDSA-N 0 3 400.454 3.582 20 5 HHBDHN CCCn1ccnc1CCCN(C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000429256091 976544406 /nfs/dbraw/zinc/54/44/06/976544406.db2.gz PELMXAIGJLRDAU-CQSZACIVSA-N 0 3 407.902 3.746 20 5 HHBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000429607074 976890928 /nfs/dbraw/zinc/89/09/28/976890928.db2.gz CZRWRGNDLDNEFR-IBGZPJMESA-N 0 3 412.490 3.624 20 5 HHBDHN COc1ccc(NC(=O)[C@@H](C)SCCN(C)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000433049557 979051801 /nfs/dbraw/zinc/05/18/01/979051801.db2.gz VURFULBCFIZTNE-OAHLLOKOSA-N 0 3 403.504 3.796 20 5 HHBDHN Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2)n([C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000435275421 980753414 /nfs/dbraw/zinc/75/34/14/980753414.db2.gz RORQMZBCOMWENU-HXUWFJFHSA-N 0 3 405.458 3.799 20 5 HHBDHN Cc1cc(NC(=O)c2ccccc2[N+](=O)[O-])n([C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000435278314 980755355 /nfs/dbraw/zinc/75/53/55/980755355.db2.gz LZVILMKQJXLDTG-GOSISDBHSA-N 0 3 405.458 3.799 20 5 HHBDHN Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2F)n([C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000435283378 980758617 /nfs/dbraw/zinc/75/86/17/980758617.db2.gz XGHFDCJUVCEOKM-SFHVURJKSA-N 0 3 423.448 3.938 20 5 HHBDHN Cc1cc(C(=O)Nc2ccnn2[C@H]2CCN(Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000435370496 980819534 /nfs/dbraw/zinc/81/95/34/980819534.db2.gz ISYSKOLRQNSSIN-IBGZPJMESA-N 0 3 405.458 3.799 20 5 HHBDHN CCOc1ccc([C@@H](C)[NH2+]C2CCN(C(=O)c3ccccc3[O-])CC2)cc1[N+](=O)[O-] ZINC000436576971 981455738 /nfs/dbraw/zinc/45/57/38/981455738.db2.gz NOFYMWNZVWDDDD-OAHLLOKOSA-N 0 3 413.474 3.655 20 5 HHBDHN C[C@H]1CCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC000437484096 982111366 /nfs/dbraw/zinc/11/13/66/982111366.db2.gz INZAHIXIEGYSQI-SFHVURJKSA-N 0 3 419.485 3.517 20 5 HHBDHN O=[N+]([O-])c1ccc2[nH]c(N3CCCN(Cc4cc(F)cc5cccnc54)CC3)nc2c1 ZINC000460349689 982122366 /nfs/dbraw/zinc/12/23/66/982122366.db2.gz ORCKIZITZZJFRQ-UHFFFAOYSA-N 0 3 420.448 3.871 20 5 HHBDHN COc1cc(CNC[C@@]2(O)CCCC(C)(C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000438365419 982747985 /nfs/dbraw/zinc/74/79/85/982747985.db2.gz QYHUHXUQIKHFPT-LJQANCHMSA-N 0 3 402.438 3.668 20 5 HHBDHN COc1cc(CNC[C@]2(O)CCCC(C)(C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000438382903 982756649 /nfs/dbraw/zinc/75/66/49/982756649.db2.gz QFBCMLALWJCTAS-SFHVURJKSA-N 0 3 420.428 3.965 20 5 HHBDHN CC(C)C1CCC(N2CCN([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000438543354 982882028 /nfs/dbraw/zinc/88/20/28/982882028.db2.gz FSIAFAAFXZPVNF-ZJRDLVKKSA-N 0 3 402.539 3.754 20 5 HHBDHN O=[N+]([O-])c1ccc(OC2CCN(C[C@@H](O)COCc3ccccc3Cl)CC2)cc1 ZINC000438816390 983090909 /nfs/dbraw/zinc/09/09/09/983090909.db2.gz CAZGECRDMSUNDS-GOSISDBHSA-N 0 3 420.893 3.669 20 5 HHBDHN C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCCN2Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000439014665 983210822 /nfs/dbraw/zinc/21/08/22/983210822.db2.gz ITNVLQZZHAQONU-FCLVOEFKSA-N 0 3 400.479 3.796 20 5 HHBDHN C[C@H](Nc1ccc(C(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000440912831 983968848 /nfs/dbraw/zinc/96/88/48/983968848.db2.gz OWEAKGHTQXCCCK-HLLBOEOZSA-N 0 3 409.490 3.518 20 5 HHBDHN COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)cc1SC ZINC000462156973 985130568 /nfs/dbraw/zinc/13/05/68/985130568.db2.gz FHCOTBPCXFYRQO-WMLDXEAASA-N 0 3 415.515 3.576 20 5 HHBDHN CCOC(=O)c1ccnc(NC[C@@H]2CCCN(C)[C@@H]2c2cccs2)c1[N+](=O)[O-] ZINC000462869881 985794216 /nfs/dbraw/zinc/79/42/16/985794216.db2.gz IUNMTIDYEGZPIH-BBRMVZONSA-N 0 3 404.492 3.723 20 5 HHBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000462984602 985932978 /nfs/dbraw/zinc/93/29/78/985932978.db2.gz BUENKAYVGSNHBO-LVCYWYKZSA-N 0 3 417.550 3.511 20 5 HHBDHN O=C(N[C@@H]1CCN(C2CCCC2)C1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000444003492 986201074 /nfs/dbraw/zinc/20/10/74/986201074.db2.gz NYLPWSSXXWIGKQ-OAHLLOKOSA-N 0 3 411.452 3.706 20 5 HHBDHN C[C@@H](N[C@H]1CC(C)(C)OC1(C)C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000444644829 986830599 /nfs/dbraw/zinc/83/05/99/986830599.db2.gz YHCXLPMYFHAAST-WBMJQRKESA-N 0 3 418.519 3.981 20 5 HHBDHN CNC(=O)c1ccc(NC[C@H](c2cccc(C(F)(F)F)c2)N(C)C)c([N+](=O)[O-])c1 ZINC000469552528 987223111 /nfs/dbraw/zinc/22/31/11/987223111.db2.gz SWBQYVKQWBZARM-QGZVFWFLSA-N 0 3 410.396 3.688 20 5 HHBDHN CC(C)c1ccc(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)cc1[N+](=O)[O-] ZINC000469838749 987474393 /nfs/dbraw/zinc/47/43/93/987474393.db2.gz PIENPRBFQUEPKJ-HXUWFJFHSA-N 0 3 411.502 3.739 20 5 HHBDHN COC(=O)[C@@H]1CCN(Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000470154001 988064041 /nfs/dbraw/zinc/06/40/41/988064041.db2.gz BTIMOAVTHLDDIY-HRAATJIYSA-N 0 3 420.469 3.831 20 5 HHBDHN COC(=O)[C@@H]1CCN(Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000470154003 988064392 /nfs/dbraw/zinc/06/43/92/988064392.db2.gz BTIMOAVTHLDDIY-IIBYNOLFSA-N 0 3 420.469 3.831 20 5 HHBDHN CN(C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000470671735 988694083 /nfs/dbraw/zinc/69/40/83/988694083.db2.gz ALWMGDSFKDDGBJ-OAQYLSRUSA-N 0 3 406.486 3.673 20 5 HHBDHN CC(C)N1CCC[C@H](NC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)C1 ZINC000470677715 988702463 /nfs/dbraw/zinc/70/24/63/988702463.db2.gz KIVZPVGUHPWVAZ-AEFFLSMTSA-N 0 3 411.506 3.766 20 5 HHBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000470990515 989054361 /nfs/dbraw/zinc/05/43/61/989054361.db2.gz DOUPZOIBRUJTOX-AUUYWEPGSA-N 0 3 403.504 3.868 20 5 HHBDHN CN(C)CCN(Cc1cccc(Cl)c1)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000466137219 991319242 /nfs/dbraw/zinc/31/92/42/991319242.db2.gz AWNBNKRHIFQDRA-UHFFFAOYSA-N 0 3 404.898 3.564 20 5 HHBDHN CC(C)N1CCN(c2ccc(C(=O)NCc3ccc([N+](=O)[O-])cc3Cl)cc2)CC1 ZINC000466282407 991529101 /nfs/dbraw/zinc/52/91/01/991529101.db2.gz DAEAKDAOKAITJB-UHFFFAOYSA-N 0 3 416.909 3.709 20 5 HHBDHN COCc1ccc([C@H]2CCCN2CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000467026128 992334022 /nfs/dbraw/zinc/33/40/22/992334022.db2.gz XDDKTDAWBFIYBT-QGZVFWFLSA-N 0 3 403.435 3.509 20 5 HHBDHN O=[N+]([O-])c1ccc2[nH]c(N3CCCN(CCc4cccc(F)c4F)CC3)nc2c1 ZINC000481189263 994021465 /nfs/dbraw/zinc/02/14/65/994021465.db2.gz LVXUBIXBGMFBCX-UHFFFAOYSA-N 0 3 401.417 3.504 20 5 HHBDHN CC(C)c1ccc(C(=O)N2CCC(CN3C[C@@H](C)O[C@H](C)C3)CC2)cc1[N+](=O)[O-] ZINC000473180063 994045379 /nfs/dbraw/zinc/04/53/79/994045379.db2.gz BYPTWUQIIUSOOL-IAGOWNOFSA-N 0 3 403.523 3.680 20 5 HHBDHN O=C(NC[C@H]1CCN(Cc2ccccc2)C1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000473295365 994148425 /nfs/dbraw/zinc/14/84/25/994148425.db2.gz QAOYEJMFVWQKRG-LJQANCHMSA-N 0 3 411.505 3.933 20 5 HHBDHN O=C(NC1CC(N2CCC(C(F)(F)F)CC2)C1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000473517134 994370857 /nfs/dbraw/zinc/37/08/57/994370857.db2.gz GQEXMALVWGCQJF-UHFFFAOYSA-N 0 3 410.396 3.611 20 5 HHBDHN O=C(NC1CC(N2CCC(C(F)(F)F)CC2)C1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000473521746 994376881 /nfs/dbraw/zinc/37/68/81/994376881.db2.gz RILGWGHZFLDQRQ-UHFFFAOYSA-N 0 3 422.407 3.678 20 5 HHBDHN Cc1cc(NC(=O)Cc2cccc([N+](=O)[O-])c2C)cc(N2CCN(C(C)C)CC2)c1 ZINC000481638875 994504400 /nfs/dbraw/zinc/50/44/00/994504400.db2.gz HDBNHCNXJFMBGJ-UHFFFAOYSA-N 0 3 410.518 3.923 20 5 HHBDHN CCOC(=O)C[C@@H]1C[C@@H](OC)CN1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000482495126 995506011 /nfs/dbraw/zinc/50/60/11/995506011.db2.gz HRVJTABNKIOTNY-LSDHHAIUSA-N 0 3 404.488 3.866 20 5 HHBDHN CCO[C@@H]1C[C@H](NCc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)[C@@H]1OC ZINC000482498749 995509918 /nfs/dbraw/zinc/50/99/18/995509918.db2.gz BUSDYFHJBLKZCH-XJUOHMSHSA-N 0 3 422.485 3.730 20 5 HHBDHN CCN1CCN(c2cccc(NCc3cc([N+](=O)[O-])ccc3OC(F)F)c2)CC1 ZINC000475090464 995915455 /nfs/dbraw/zinc/91/54/55/995915455.db2.gz QCMDGYSZGNLUKW-UHFFFAOYSA-N 0 3 406.433 3.950 20 5 HHBDHN COc1ccc(NC(=O)CCN2CC[C@@H](C(F)(F)F)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000484347912 996719513 /nfs/dbraw/zinc/71/95/13/996719513.db2.gz HQNNDCGZOYHFMP-OAHLLOKOSA-N 0 3 403.401 3.842 20 5 HHBDHN CC1CCN([C@@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2F)c2cccs2)CC1 ZINC000477500099 998221870 /nfs/dbraw/zinc/22/18/70/998221870.db2.gz OOHLCLKDNSTYON-SFHVURJKSA-N 0 3 405.495 3.927 20 5 HHBDHN COC(=O)c1cnc(NC[C@H](c2cccc(C(F)(F)F)c2)N(C)C)c([N+](=O)[O-])c1 ZINC000477725138 998453571 /nfs/dbraw/zinc/45/35/71/998453571.db2.gz JGLJYQBDZBBXMM-OAHLLOKOSA-N 0 3 412.368 3.510 20 5 HHBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])N[C@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000477933634 998666215 /nfs/dbraw/zinc/66/62/15/998666215.db2.gz TWFGBWTXLIEUSR-ROUUACIJSA-N 0 3 417.506 3.995 20 5 HHBDHN O=C(Cc1ccccc1[N+](=O)[O-])N(CCN1CCCC1)Cc1ccc(Cl)cc1 ZINC000477983740 998698683 /nfs/dbraw/zinc/69/86/83/998698683.db2.gz MBZWQTQNTYSBME-UHFFFAOYSA-N 0 3 401.894 3.915 20 5 HHBDHN Cc1ccc([C@@H](C)NC(=O)c2ccc(N3CCN(C(C)C)CC3)cc2)cc1[N+](=O)[O-] ZINC000488065782 999364810 /nfs/dbraw/zinc/36/48/10/999364810.db2.gz NTJVQSGUVWERMF-GOSISDBHSA-N 0 3 410.518 3.925 20 5 HHBDHN O=C(c1cc([N+](=O)[O-])ccc1NCc1ccccc1)N1CC[C@@H](N2CCCCC2)C1 ZINC000488103424 999377229 /nfs/dbraw/zinc/37/72/29/999377229.db2.gz OUHAYYYLHNHRMB-HXUWFJFHSA-N 0 3 408.502 3.907 20 5 HHBDHN CN1CCC(N(Cc2ccccc2)C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC1 ZINC000488679798 999569644 /nfs/dbraw/zinc/56/96/44/999569644.db2.gz YHCJVORDFAZHAB-UHFFFAOYSA-N 0 3 408.502 3.906 20 5 HHBDHN CN(C)C[C@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000488904721 999642246 /nfs/dbraw/zinc/64/22/46/999642246.db2.gz CJEQWJCHVJUNLN-HNNXBMFYSA-N 0 3 411.886 3.899 20 5 HHBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC[C@@H](c3nc4c(s3)CCCC4)C2)c1 ZINC000489103513 999700534 /nfs/dbraw/zinc/70/05/34/999700534.db2.gz PAZCXIBOPNLLEG-WBVHZDCISA-N 0 3 417.531 3.549 20 5 HHBDHN CC[NH+](CC)Cc1ccc(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000490184800 999906796 /nfs/dbraw/zinc/90/67/96/999906796.db2.gz ONYVHKSGCVSMMM-UHFFFAOYSA-N 0 3 411.911 3.569 20 5 HHBDHN COc1cc(CN(C[C@@H](C)O)C2CCCCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000491069900 1000041967 /nfs/dbraw/zinc/04/19/67/1000041967.db2.gz YYTBAAQJYPRIIM-CYBMUJFWSA-N 0 3 402.438 3.763 20 5 HHBDHN Cc1ccc([C@@H](C)NC(=O)N(CCN(C)C)Cc2ccccc2F)cc1[N+](=O)[O-] ZINC000493128996 1000158839 /nfs/dbraw/zinc/15/88/39/1000158839.db2.gz DUYGVJYPMGMNPU-MRXNPFEDSA-N 0 3 402.470 3.877 20 5 HHBDHN C[C@H](Cn1cc(Br)cn1)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000494511709 1000532866 /nfs/dbraw/zinc/53/28/66/1000532866.db2.gz IQYBPWUDUMDYGI-SECBINFHSA-N 0 3 407.190 3.751 20 5 HHBDHN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000495408975 1001002653 /nfs/dbraw/zinc/00/26/53/1001002653.db2.gz VFRLCRBQNZAMJG-IRXDYDNUSA-N 0 3 423.579 3.962 20 5 HHBDHN CNC(=O)C1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CC1 ZINC000506272986 1001321585 /nfs/dbraw/zinc/32/15/85/1001321585.db2.gz OOFHKPRIYZEIAM-UHFFFAOYSA-N 0 3 422.279 3.575 20 5 HHBDHN C[C@@H](Nc1ccc(C(=O)N[C@@H](C)CN2CCCCC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000506896710 1001585349 /nfs/dbraw/zinc/58/53/49/1001585349.db2.gz UZGLCUGIPQBSAA-DLBZAZTESA-N 0 3 411.506 3.767 20 5 HHBDHN CN(C)CCN(Cc1ccccc1F)C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000498165399 1001670994 /nfs/dbraw/zinc/67/09/94/1001670994.db2.gz HZIJHZDKKOCKDY-UHFFFAOYSA-N 0 3 411.380 3.539 20 5 HHBDHN Cc1csc(Sc2ccc(C(=O)NCCN3CCC[C@@H](C)C3)cc2[N+](=O)[O-])n1 ZINC000499182763 1002572588 /nfs/dbraw/zinc/57/25/88/1002572588.db2.gz BNXNXASSNJQYIY-CYBMUJFWSA-N 0 3 420.560 3.973 20 5 HHBDHN O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000508574445 1003038493 /nfs/dbraw/zinc/03/84/93/1003038493.db2.gz YZYHAIZZFOJBMA-HXUWFJFHSA-N 0 3 421.419 3.708 20 5 HHBDHN CC(=O)Nc1ccc(OC[C@@H](O)CN(Cc2cccc([N+](=O)[O-])c2C)C(C)C)cc1 ZINC000500397103 1003692051 /nfs/dbraw/zinc/69/20/51/1003692051.db2.gz BJWYWDPOPLIMFB-FQEVSTJZSA-N 0 3 415.490 3.512 20 5 HHBDHN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@@H](C)C2=CCN(C)CC2)cc1 ZINC000512143009 1004053581 /nfs/dbraw/zinc/05/35/81/1004053581.db2.gz PHTBXWSGXHJKEA-HNNXBMFYSA-N 0 3 411.458 3.776 20 5 HHBDHN COc1ccc(-c2ccc(CN3CCC[C@H](CNC(=O)C(C)C)C3)o2)c([N+](=O)[O-])c1 ZINC000512464361 1004323372 /nfs/dbraw/zinc/32/33/72/1004323372.db2.gz WUMMVGIRUWLSRU-MRXNPFEDSA-N 0 3 415.490 3.848 20 5 HHBDHN CCC[C@H](C)NC(=O)[C@@H]1CCCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000512522493 1004358713 /nfs/dbraw/zinc/35/87/13/1004358713.db2.gz VFBUTXAWCSWYMU-FUHWJXTLSA-N 0 3 413.522 3.512 20 5 HHBDHN COc1cc(CN2CCCN(Cc3ccccc3)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000501875594 1004790739 /nfs/dbraw/zinc/79/07/39/1004790739.db2.gz REMHGZWIRYVJGU-UHFFFAOYSA-N 0 3 421.444 3.913 20 5 HHBDHN C[C@H]1C[C@H](C)C[NH+](Cc2ccc(C[N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])cc2)C1 ZINC000511047688 1004996243 /nfs/dbraw/zinc/99/62/43/1004996243.db2.gz PMWQRAKCGHRGBU-IRXDYDNUSA-N 0 3 417.531 3.551 20 5 HHBDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000513698740 1005087050 /nfs/dbraw/zinc/08/70/50/1005087050.db2.gz FDBBXYDCWOQOKW-XJKSGUPXSA-N 0 3 405.401 3.762 20 5 HHBDHN CCCN(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000502895549 1005264024 /nfs/dbraw/zinc/26/40/24/1005264024.db2.gz PKXVAJXMAZNVOQ-KRWDZBQOSA-N 0 3 412.490 3.687 20 5 HHBDHN CCCN(CCC(=O)Nc1cccc([N+](=O)[O-])c1C)[C@@H](C)C(=O)Nc1ccccc1 ZINC000502912646 1005271545 /nfs/dbraw/zinc/27/15/45/1005271545.db2.gz NVNGNYJXRZTXHZ-KRWDZBQOSA-N 0 3 412.490 3.971 20 5 HHBDHN CC1CCN([C@@H](CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)c2cccs2)CC1 ZINC000514178686 1005299922 /nfs/dbraw/zinc/29/99/22/1005299922.db2.gz ASJUKBLWPCZAKR-IBGZPJMESA-N 0 3 416.547 3.971 20 5 HHBDHN COc1ccc([C@@H](CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)N2CCCC2)cc1 ZINC000503003531 1005311974 /nfs/dbraw/zinc/31/19/74/1005311974.db2.gz WLMGTBOJPCQXPS-OAQYLSRUSA-N 0 3 408.458 3.652 20 5 HHBDHN O=C(CCN(Cc1cccc([N+](=O)[O-])c1)C1CC1)Nc1ccc(N2CCCC2=O)cc1 ZINC000531763810 1006406680 /nfs/dbraw/zinc/40/66/80/1006406680.db2.gz LDESZXMPAFGIDG-UHFFFAOYSA-N 0 3 422.485 3.715 20 5 HHBDHN COc1cccc([C@H](CNc2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)N(C)C)c1 ZINC000515583025 1006548171 /nfs/dbraw/zinc/54/81/71/1006548171.db2.gz ZTNSYFZBEHDIPF-FQEVSTJZSA-N 0 3 407.474 3.506 20 5 HHBDHN CS(=O)(=O)[C@@H]1CCC[C@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000538419190 1006687336 /nfs/dbraw/zinc/68/73/36/1006687336.db2.gz DSXRSZPYQHTKLG-SWLSCSKDSA-N 0 3 412.895 3.954 20 5 HHBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCCN(Cc3ccccc3)C[C@H]2C)c1 ZINC000538426693 1006693005 /nfs/dbraw/zinc/69/30/05/1006693005.db2.gz RCQSPQOPXWIJGB-LJQANCHMSA-N 0 3 411.502 3.795 20 5 HHBDHN C[C@@H](CCS(C)(=O)=O)NCc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000532393508 1006841972 /nfs/dbraw/zinc/84/19/72/1006841972.db2.gz NFOTWSXXLXWBFR-ZDUSSCGKSA-N 0 3 412.895 3.953 20 5 HHBDHN CCC[C@@H]1CN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCN1CCOC ZINC000538810062 1007089531 /nfs/dbraw/zinc/08/95/31/1007089531.db2.gz UCSSEFNSEBYJKT-LJQANCHMSA-N 0 3 404.536 3.651 20 5 HHBDHN CCN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)Cc1ccc(OC)cc1OC ZINC000532935058 1007307341 /nfs/dbraw/zinc/30/73/41/1007307341.db2.gz KPFUNKBOBJJSAV-UHFFFAOYSA-N 0 3 401.463 3.771 20 5 HHBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC(Oc2ccc(C)cc2)CC1 ZINC000532975506 1007345005 /nfs/dbraw/zinc/34/50/05/1007345005.db2.gz QSOYXBRAEDTQRP-UHFFFAOYSA-N 0 3 413.474 3.784 20 5 HHBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC(c2ccccc2F)CC1 ZINC000532981051 1007352435 /nfs/dbraw/zinc/35/24/35/1007352435.db2.gz ZZHRPANIQQMVGR-UHFFFAOYSA-N 0 3 401.438 3.951 20 5 HHBDHN CCN(CC)[C@H](CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)c1cccc(OC)c1 ZINC000535331543 1007383774 /nfs/dbraw/zinc/38/37/74/1007383774.db2.gz DNKZIVTUICOFKH-JOCHJYFZSA-N 0 3 424.501 3.827 20 5 HHBDHN CC(C)(C)n1cc(CNCCn2cc([N+](=O)[O-])cn2)c(-c2ccccc2Cl)n1 ZINC000533187037 1007525135 /nfs/dbraw/zinc/52/51/35/1007525135.db2.gz XDBSRISYPUFZLP-UHFFFAOYSA-N 0 3 402.886 3.853 20 5 HHBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3ccc(OCc4cccnc4)cc3)C2)nc1 ZINC000533381025 1007692952 /nfs/dbraw/zinc/69/29/52/1007692952.db2.gz ULHPEYMSUDTOQY-LJQANCHMSA-N 0 3 405.458 3.650 20 5 HHBDHN O=C(CN[C@H](c1ccc(F)cc1)C1CCC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000533513845 1007833385 /nfs/dbraw/zinc/83/33/85/1007833385.db2.gz XAZITMFTNVEHCE-FQEVSTJZSA-N 0 3 401.394 3.532 20 5 HHBDHN Cc1c(NC(=O)CCN2CCC[C@H]2c2n[nH]c(-c3ccccc3)n2)cccc1[N+](=O)[O-] ZINC000536069097 1008097573 /nfs/dbraw/zinc/09/75/73/1008097573.db2.gz VBZXCMOUIJDXRU-IBGZPJMESA-N 0 3 420.473 3.854 20 5 HHBDHN Cc1c(NC(=O)CC[N@@H+]2CCC[C@H]2c2nnc(-c3ccccc3)[n-]2)cccc1[N+](=O)[O-] ZINC000536069097 1008097579 /nfs/dbraw/zinc/09/75/79/1008097579.db2.gz VBZXCMOUIJDXRU-IBGZPJMESA-N 0 3 420.473 3.854 20 5 HHBDHN Cc1c(NC(=O)CC[N@H+]2CCC[C@H]2c2nnc(-c3ccccc3)[n-]2)cccc1[N+](=O)[O-] ZINC000536069097 1008097583 /nfs/dbraw/zinc/09/75/83/1008097583.db2.gz VBZXCMOUIJDXRU-IBGZPJMESA-N 0 3 420.473 3.854 20 5 HHBDHN CC(C)(CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCc2ccccc2C1 ZINC000533917853 1008203868 /nfs/dbraw/zinc/20/38/68/1008203868.db2.gz KYGXSTICJNGVQK-UHFFFAOYSA-N 0 3 406.486 3.572 20 5 HHBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@H](O)COc1ccccc1Br ZINC000540157003 1008314925 /nfs/dbraw/zinc/31/49/25/1008314925.db2.gz XMBVPLCYCXNHLH-HIFRSBDPSA-N 0 3 409.280 3.756 20 5 HHBDHN COc1ccc(NC(=O)CCN[C@H](C)c2ccccc2OC(F)F)c([N+](=O)[O-])c1 ZINC000540348071 1008391593 /nfs/dbraw/zinc/39/15/93/1008391593.db2.gz PJVOQOCQIWUWII-GFCCVEGCSA-N 0 3 409.389 3.884 20 5 HHBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@H](C)c1ccccc1OC(F)F ZINC000540347656 1008391753 /nfs/dbraw/zinc/39/17/53/1008391753.db2.gz MFPRNHJQPVEANB-GFCCVEGCSA-N 0 3 409.389 3.884 20 5 HHBDHN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000540450826 1008438241 /nfs/dbraw/zinc/43/82/41/1008438241.db2.gz ZVNONZJPOHYZGO-GOSISDBHSA-N 0 3 401.532 3.998 20 5 HHBDHN CCN1CC[C@@H](NCc2cc([N+](=O)[O-])ccc2OC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000549116261 1008683271 /nfs/dbraw/zinc/68/32/71/1008683271.db2.gz CRJRSEBZHMVLCB-YLJYHZDGSA-N 0 3 409.408 3.946 20 5 HHBDHN C[C@H]1[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CCN1Cc1ccccc1 ZINC000519563410 1008906939 /nfs/dbraw/zinc/90/69/39/1008906939.db2.gz SXEQIPRSGUYYJU-GUYCJALGSA-N 0 3 405.401 3.589 20 5 HHBDHN COc1ccc([N+](=O)[O-])cc1CNC1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000543410712 1009004554 /nfs/dbraw/zinc/00/45/54/1009004554.db2.gz CXJLCKJGMQSWFC-UHFFFAOYSA-N 0 3 403.866 3.651 20 5 HHBDHN COc1ccc2c(c1)C[C@@H](C)N(CCCn1c3cc([N+](=O)[O-])ccc3oc1=O)[C@@H]2C ZINC000543806370 1009369413 /nfs/dbraw/zinc/36/94/13/1009369413.db2.gz BCDYOPUVSPSPPS-HUUCEWRRSA-N 0 3 411.458 3.909 20 5 HHBDHN C/C(=C\c1nc(-c2ccc(N3CCCN(C)CC3)nc2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000546363407 1009373178 /nfs/dbraw/zinc/37/31/78/1009373178.db2.gz LSNOVWFCSQXXED-JQIJEIRASA-N 0 3 420.473 3.742 20 5 HHBDHN CCN(CC)[C@H](CNC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1)c1cccc(OC)c1 ZINC000543891949 1009471328 /nfs/dbraw/zinc/47/13/28/1009471328.db2.gz CFRBHPSRMMNKJF-LJQANCHMSA-N 0 3 416.478 3.817 20 5 HHBDHN C[C@@](O)(C1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1)C(F)(F)F ZINC000546638750 1009646086 /nfs/dbraw/zinc/64/60/86/1009646086.db2.gz KAMHRDOJYWBPRW-GOSISDBHSA-N 0 3 413.396 3.818 20 5 HHBDHN C[C@@H](CCc1ccccc1[N+](=O)[O-])Nc1ccc2nc(CCN3CCOCC3)[nH]c2c1 ZINC000547363254 1010271066 /nfs/dbraw/zinc/27/10/66/1010271066.db2.gz QQUSJELPPHKWKM-KRWDZBQOSA-N 0 3 423.517 3.779 20 5 HHBDHN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000521277977 1010273161 /nfs/dbraw/zinc/27/31/61/1010273161.db2.gz FGUOXUPMGJSMEI-CQSZACIVSA-N 0 3 421.881 3.732 20 5 HHBDHN O=[N+]([O-])c1ccc(NC[C@H](c2cccs2)N2CCCC2)c(F)c1N1CCOCC1 ZINC000521312782 1010297803 /nfs/dbraw/zinc/29/78/03/1010297803.db2.gz GVFCWQKXVSAFTQ-QGZVFWFLSA-N 0 3 420.510 3.881 20 5 HHBDHN CCN(C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000544847801 1010432293 /nfs/dbraw/zinc/43/22/93/1010432293.db2.gz CDJJSBQVDSLSRL-OAQYLSRUSA-N 0 3 419.485 3.517 20 5 HHBDHN CCc1ccc(OCC(=O)N2CCCN(Cc3ccccc3C)CC2)c([N+](=O)[O-])c1 ZINC000522331395 1010935251 /nfs/dbraw/zinc/93/52/51/1010935251.db2.gz FLKNBKRZICPOBA-UHFFFAOYSA-N 0 3 411.502 3.579 20 5 HHBDHN Cc1ccc(CN2CCCN(C(=O)CN[C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)CC2)cc1 ZINC000540590513 1011246222 /nfs/dbraw/zinc/24/62/22/1011246222.db2.gz IPGNTBYHUSVSJP-FQEVSTJZSA-N 0 3 424.545 3.597 20 5 HHBDHN CN1CCC(N(Cc2ccccc2)C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CC1 ZINC000540998556 1011633497 /nfs/dbraw/zinc/63/34/97/1011633497.db2.gz YHOPQHYHDZRYFS-UHFFFAOYSA-N 0 3 419.428 3.933 20 5 HHBDHN CC(C)(C(=O)NCC1(N2CCSCC2)CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000523501001 1012022270 /nfs/dbraw/zinc/02/22/70/1012022270.db2.gz CSSFJYNZIORAIT-UHFFFAOYSA-N 0 3 405.564 3.740 20 5 HHBDHN CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000552269830 1012281275 /nfs/dbraw/zinc/28/12/75/1012281275.db2.gz UDPJNXDTXLQVLD-KDXIVRHGSA-N 0 3 409.486 3.641 20 5 HHBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])N[C@@H]1CCCN(Cc2ccccn2)C1=O ZINC000541568099 1012357894 /nfs/dbraw/zinc/35/78/94/1012357894.db2.gz CFQJOXINZBITQQ-FUHWJXTLSA-N 0 3 414.531 3.641 20 5 HHBDHN COc1ccc([C@H](CN(C)C)NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000552474255 1012501097 /nfs/dbraw/zinc/50/10/97/1012501097.db2.gz LNVMRRIAVYJIES-INIZCTEOSA-N 0 3 423.922 3.768 20 5 HHBDHN C[C@H](c1ccncc1)N1CCC(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000541719812 1012570425 /nfs/dbraw/zinc/57/04/25/1012570425.db2.gz JXMSHVNOKLXEQR-LSDHHAIUSA-N 0 3 400.454 3.574 20 5 HHBDHN C[C@@H]1C[C@@H]1[C@H](NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc(Cl)cc1 ZINC000537222377 1012649823 /nfs/dbraw/zinc/64/98/23/1012649823.db2.gz XQUUXYSFZHHDMX-STYXZAMGSA-N 0 3 417.849 3.902 20 5 HHBDHN C[C@H](C(=O)N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000541798028 1012675254 /nfs/dbraw/zinc/67/52/54/1012675254.db2.gz XPQMDOUHCVEODZ-BBWFWOEESA-N 0 3 421.513 3.575 20 5 HHBDHN CSc1ccc([C@H](CNC(=O)CCOc2cc(C)ccc2[N+](=O)[O-])N(C)C)cc1 ZINC000590532301 1073910571 /nfs/dbraw/zinc/91/05/71/1073910571.db2.gz ALLAJQWMJJUDAB-IBGZPJMESA-N 0 3 417.531 3.813 20 5 HHBDHN O=[N+]([O-])c1ccc(Cc2noc(C3CCN(C4CC4)CC3)n2)c(Br)c1 ZINC000573246563 1074322804 /nfs/dbraw/zinc/32/28/04/1074322804.db2.gz QYESLFGZZFNMDH-UHFFFAOYSA-N 0 3 407.268 3.673 20 5 HHBDHN CC1(C)CN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)CCN1Cc1ccccc1 ZINC000301173269 970787083 /nfs/dbraw/zinc/78/70/83/970787083.db2.gz KYXBGLYBDDGVOS-UHFFFAOYSA-N 0 3 422.529 3.932 20 5 HHBDHN C[C@H](CN1C[C@H](C)C[C@H](C)C1)Nc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl ZINC000301228343 970820978 /nfs/dbraw/zinc/82/09/78/970820978.db2.gz HXTPQACVQUSWSG-QLFBSQMISA-N 0 3 419.913 3.572 20 5 HHBDHN CN(C)[C@H](CNc1ccc([N+](=O)[O-])cc1N1CCOC1=O)c1ccc(Cl)cc1 ZINC000301465076 970942799 /nfs/dbraw/zinc/94/27/99/970942799.db2.gz HAZTXAOICKNDKA-GOSISDBHSA-N 0 3 404.854 3.920 20 5 HHBDHN COc1cc(CN2CC[C@H](Nc3ccc4cc([N+](=O)[O-])ccc4n3)C2)cc(OC)c1 ZINC000301565352 970982064 /nfs/dbraw/zinc/98/20/64/970982064.db2.gz MCXRQWJPVUDPIK-KRWDZBQOSA-N 0 3 408.458 3.847 20 5 HHBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN(Cc1cccc(Br)c1)C1CC1 ZINC000542203254 1013147707 /nfs/dbraw/zinc/14/77/07/1013147707.db2.gz RAQZXTKWSYAMLG-QGZVFWFLSA-N 0 3 421.291 3.762 20 5 HHBDHN COc1cccc([C@@H]2[C@H](Nc3ncnc4sc([N+](=O)[O-])cc43)CCN2C2CC2)c1 ZINC000553518853 1013417798 /nfs/dbraw/zinc/41/77/98/1013417798.db2.gz NQFZBYRXWUWDME-SJLPKXTDSA-N 0 3 411.487 3.998 20 5 HHBDHN COc1ccc(OCCN[C@@H](C)c2cnn(-c3ccc(F)cc3)c2C)c([N+](=O)[O-])c1 ZINC000542544403 1013489228 /nfs/dbraw/zinc/48/92/28/1013489228.db2.gz KTUOWHDUTKAKNX-AWEZNQCLSA-N 0 3 414.437 3.966 20 5 HHBDHN O=[N+]([O-])c1cccc(-c2nc(CNC3CCN(CC(F)(F)F)CC3)cs2)c1 ZINC000553724414 1013573537 /nfs/dbraw/zinc/57/35/37/1013573537.db2.gz YRUUODQTGJXFIH-UHFFFAOYSA-N 0 3 400.426 3.835 20 5 HHBDHN Cc1ccccc1CN1CCCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000030153737 965621591 /nfs/dbraw/zinc/62/15/91/965621591.db2.gz YFWYXYBQDAFRJQ-UHFFFAOYSA-N 0 3 416.909 3.703 20 5 HHBDHN CC(C)[C@@H](CSc1ccccc1)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000542680618 1013602034 /nfs/dbraw/zinc/60/20/34/1013602034.db2.gz CJZYUPUCCYBEQQ-LJQANCHMSA-N 0 3 408.545 3.775 20 5 HHBDHN COc1ccc([C@@H](C)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc12 ZINC000542683218 1013604319 /nfs/dbraw/zinc/60/43/19/1013604319.db2.gz JKNTZBDGDUBILW-OAHLLOKOSA-N 0 3 414.483 3.881 20 5 HHBDHN O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000031566248 966053891 /nfs/dbraw/zinc/05/38/91/966053891.db2.gz MQJZXYHHDTYMQH-OAQYLSRUSA-N 0 3 422.529 3.592 20 5 HHBDHN CC(C)c1ccc(CN2CCN(C(=O)c3[nH]nc4ccc([N+](=O)[O-])cc43)CC2)cc1 ZINC000032198032 966200617 /nfs/dbraw/zinc/20/06/17/966200617.db2.gz WVXPMXZVTMLOPX-UHFFFAOYSA-N 0 3 407.474 3.553 20 5 HHBDHN C[C@@H](NC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000062488646 966689832 /nfs/dbraw/zinc/68/98/32/966689832.db2.gz QSWXKBZZLZJNIG-CQSZACIVSA-N 0 3 406.433 3.707 20 5 HHBDHN Cc1cccc(N2CCN(CCCCNc3nc4sccn4c3[N+](=O)[O-])CC2)c1 ZINC000042100109 966718086 /nfs/dbraw/zinc/71/80/86/966718086.db2.gz ZHTPLMBXUWFJNH-UHFFFAOYSA-N 0 3 414.535 3.627 20 5 HHBDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000065141048 967391826 /nfs/dbraw/zinc/39/18/26/967391826.db2.gz CNIIQKDRINMRTB-VQIMIIECSA-N 0 3 419.485 3.561 20 5 HHBDHN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CCN(CC2CCCCC2)CC1 ZINC000065413683 967456889 /nfs/dbraw/zinc/45/68/89/967456889.db2.gz HXCWRNPLBQPIKH-UHFFFAOYSA-N 0 3 412.437 3.926 20 5 HHBDHN Cc1nccn1-c1ccc([C@@H](C)N[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000542885128 1013732832 /nfs/dbraw/zinc/73/28/32/1013732832.db2.gz PFQPMNZBVXZWSH-VFNWGFHPSA-N 0 3 405.458 3.545 20 5 HHBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000538269204 1013809541 /nfs/dbraw/zinc/80/95/41/1013809541.db2.gz VPOMLQOEZVRNBT-GJZGRUSLSA-N 0 3 423.473 3.775 20 5 HHBDHN CCN1CCN(Cc2ccccc2CNc2ccc([N+](=O)[O-])c3cnccc23)CC1 ZINC000106183735 969298036 /nfs/dbraw/zinc/29/80/36/969298036.db2.gz RZTCPZASZKPUPY-UHFFFAOYSA-N 0 3 405.502 3.893 20 5 HHBDHN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CCCN(CCCc2ccccc2)CC1 ZINC000110201283 969636391 /nfs/dbraw/zinc/63/63/91/969636391.db2.gz WGQGLRHGAYPCGJ-UHFFFAOYSA-N 0 3 420.513 3.717 20 5 HHBDHN Cc1cccc(N2CCN(CCCCNC(=O)c3cc(C)cc([N+](=O)[O-])c3)CC2)c1 ZINC000195691914 969960812 /nfs/dbraw/zinc/96/08/12/969960812.db2.gz XNAWPBWSYIVWQG-UHFFFAOYSA-N 0 3 410.518 3.544 20 5 HHBDHN CCO[C@@H]1C[C@@H](NCc2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])C12CCC2 ZINC000236877650 970182955 /nfs/dbraw/zinc/18/29/55/970182955.db2.gz IHXJUHMJLFGRHD-IAGOWNOFSA-N 0 3 418.412 3.982 20 5 HHBDHN COc1ccc(CNCCC(=O)Nc2cc(Br)ccc2C)cc1[N+](=O)[O-] ZINC000237339402 970266602 /nfs/dbraw/zinc/26/66/02/970266602.db2.gz XQEGBKYCMRZAGB-UHFFFAOYSA-N 0 3 422.279 3.793 20 5 HHBDHN C[C@@H]1CN(C(=O)c2ccc(CNC/C=C/c3ccccc3[N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000237544385 970310194 /nfs/dbraw/zinc/31/01/94/970310194.db2.gz RKLNYFYDUDLZHA-OBJZWFGXSA-N 0 3 409.486 3.647 20 5 HHBDHN Cc1ccc([N-]S(=O)(=O)c2ccc(NCC(C)(C)[NH+](C)C)c([N+](=O)[O-])c2)c(C)c1 ZINC000247954406 970492665 /nfs/dbraw/zinc/49/26/65/970492665.db2.gz ZKQZIJZLGOYUKT-UHFFFAOYSA-N 0 3 420.535 3.765 20 5 HHBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000248088760 970507529 /nfs/dbraw/zinc/50/75/29/970507529.db2.gz BSEIGOYYIISQMD-HNNXBMFYSA-N 0 3 403.504 3.791 20 5 HHBDHN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000554729046 1014033267 /nfs/dbraw/zinc/03/32/67/1014033267.db2.gz BVXABFPUMPALQC-OAHLLOKOSA-N 0 3 403.429 3.539 20 5 HHBDHN COc1cccc([C@H](CNc2ncc([N+](=O)[O-])c(C)c2Br)N(C)C)c1 ZINC000328017575 972765069 /nfs/dbraw/zinc/76/50/69/972765069.db2.gz XMFFSJFTIWTMPT-HNNXBMFYSA-N 0 3 409.284 3.784 20 5 HHBDHN CN(C)CCN(Cc1ccccc1)C(=O)c1cccc([N+](=O)[O-])c1Br ZINC000384551540 972794292 /nfs/dbraw/zinc/79/42/92/972794292.db2.gz USIMTRKOQOBZPK-UHFFFAOYSA-N 0 3 406.280 3.561 20 5 HHBDHN C[C@H]1CN(CCC2CCN(C(=O)c3ccc(Cl)cc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000427299042 975035166 /nfs/dbraw/zinc/03/51/66/975035166.db2.gz IQISAVMPBMODON-GJZGRUSLSA-N 0 3 409.914 3.600 20 5 HHBDHN C[C@@H](NC(=O)N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000428809364 976088155 /nfs/dbraw/zinc/08/81/55/976088155.db2.gz VNQFOKPRXLSWLE-FGTMMUONSA-N 0 3 418.538 3.577 20 5 HHBDHN Cc1noc(C[C@H](N[C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)c2ccccc2)n1 ZINC000429472510 976739130 /nfs/dbraw/zinc/73/91/30/976739130.db2.gz PMIYNMDVWWGPPT-LIRRHRJNSA-N 0 3 409.446 3.577 20 5 HHBDHN CCOC(=O)c1csc(C2CCN(CCCOc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000429574009 976843223 /nfs/dbraw/zinc/84/32/23/976843223.db2.gz DKCQJCASJPVVIU-UHFFFAOYSA-N 0 3 419.503 3.877 20 5 HHBDHN CC(C)(NC(=O)CCCN1CCN(c2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000430544372 977624056 /nfs/dbraw/zinc/62/40/56/977624056.db2.gz OEOXASCGDAWCDS-UHFFFAOYSA-N 0 3 410.518 3.549 20 5 HHBDHN CCc1ccc([C@@H](CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])N(C)C)cc1 ZINC000431173815 978073098 /nfs/dbraw/zinc/07/30/98/978073098.db2.gz VXDXWYBZBVCXLM-GOSISDBHSA-N 0 3 420.307 3.952 20 5 HHBDHN CC1(C)C[C@H](NCCCS(=O)(=O)Cc2ccccc2)c2cc([N+](=O)[O-])ccc21 ZINC000433175278 979119190 /nfs/dbraw/zinc/11/91/90/979119190.db2.gz LJVVUPXOFLWFSS-FQEVSTJZSA-N 0 3 402.516 3.912 20 5 HHBDHN Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000434330308 980094766 /nfs/dbraw/zinc/09/47/66/980094766.db2.gz LJNVUTDNWWGMAL-NRFANRHFSA-N 0 3 419.485 3.728 20 5 HHBDHN Cc1cc(NC(=O)c2ccc([N+](=O)[O-])s2)n([C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000435289338 980761823 /nfs/dbraw/zinc/76/18/23/980761823.db2.gz NOPWXPOGJONSSK-INIZCTEOSA-N 0 3 411.487 3.861 20 5 HHBDHN O=C(Cc1ccc([N+](=O)[O-])cc1F)Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1 ZINC000435369064 980817663 /nfs/dbraw/zinc/81/76/63/980817663.db2.gz KERZNDAWJHSJRG-IBGZPJMESA-N 0 3 423.448 3.559 20 5 HHBDHN O=C(CCc1cccc([N+](=O)[O-])c1)Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1 ZINC000435371319 980820696 /nfs/dbraw/zinc/82/06/96/980820696.db2.gz UMOZTUIFRGURGT-NRFANRHFSA-N 0 3 419.485 3.810 20 5 HHBDHN CN(C)CCN(Cc1ccccc1F)C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437214185 981871558 /nfs/dbraw/zinc/87/15/58/981871558.db2.gz FDOOJNCGDGZOFG-UHFFFAOYSA-N 0 3 413.371 3.957 20 5 HHBDHN CCOc1cc(CN2CCC=C(C)C2)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000437345534 981995297 /nfs/dbraw/zinc/99/52/97/981995297.db2.gz KZYNFYJPIOZDCQ-UHFFFAOYSA-N 0 3 400.479 3.729 20 5 HHBDHN C[C@@H]1CCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC000437484092 982111490 /nfs/dbraw/zinc/11/14/90/982111490.db2.gz INZAHIXIEGYSQI-GOSISDBHSA-N 0 3 419.485 3.517 20 5 HHBDHN CCN(C(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000438662300 982979862 /nfs/dbraw/zinc/97/98/62/982979862.db2.gz WSJXMMXRHHQUIC-PXNSSMCTSA-N 0 3 424.501 3.526 20 5 HHBDHN C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCCN2Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000439014666 983210674 /nfs/dbraw/zinc/21/06/74/983210674.db2.gz ITNVLQZZHAQONU-FDPIWHGQSA-N 0 3 400.479 3.796 20 5 HHBDHN CC(C)c1ccc(C(=O)NCc2ccccc2CN2CCC(O)CC2)cc1[N+](=O)[O-] ZINC000439501782 983430895 /nfs/dbraw/zinc/43/08/95/983430895.db2.gz FBDUTUMQMOXJLM-UHFFFAOYSA-N 0 3 411.502 3.605 20 5 HHBDHN CC(C)N(CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)C1CCOCC1 ZINC000440696357 983857178 /nfs/dbraw/zinc/85/71/78/983857178.db2.gz XGIXDOVEQGQCFB-UHFFFAOYSA-N 0 3 404.492 3.546 20 5 HHBDHN C[C@@H](O)CN(Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H](C)Cc1ccc(Cl)cc1 ZINC000441233324 984129371 /nfs/dbraw/zinc/12/93/71/984129371.db2.gz ZMVLVECEPNQBQL-ZIAGYGMSSA-N 0 3 402.882 3.939 20 5 HHBDHN COC(=O)C1CCN(CCCNc2cc(C)c([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000461781011 984776813 /nfs/dbraw/zinc/77/68/13/984776813.db2.gz ZGQXCTFXWCHHDJ-UHFFFAOYSA-N 0 3 403.401 3.609 20 5 HHBDHN O=[N+]([O-])c1cccc(-c2cnc(CCN3CCC(c4noc(C5CC5)n4)CC3)o2)c1 ZINC000462240457 985222263 /nfs/dbraw/zinc/22/22/63/985222263.db2.gz XGXHPTAONREHMI-UHFFFAOYSA-N 0 3 409.446 3.932 20 5 HHBDHN COc1cc(CN[C@H]2CCO[C@H](C3CC3)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000462557565 985505862 /nfs/dbraw/zinc/50/58/62/985505862.db2.gz VJRSRTBUBPTJJN-ZFWWWQNUSA-N 0 3 404.385 3.592 20 5 HHBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000443952357 986160080 /nfs/dbraw/zinc/16/00/80/986160080.db2.gz WOJBRVQKOWPWAM-CALCHBBNSA-N 0 3 418.538 3.955 20 5 HHBDHN O=C(c1cccc2c(=O)c3cccc(F)c3[nH]c12)N1CCCN(C2CCCC2)CC1 ZINC000444078416 986279364 /nfs/dbraw/zinc/27/93/64/986279364.db2.gz VSYSZBSAUMMJPG-UHFFFAOYSA-N 0 3 407.489 3.911 20 5 HHBDHN CCOC(=O)c1csc(CCNCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)n1 ZINC000468598501 986309676 /nfs/dbraw/zinc/30/96/76/986309676.db2.gz RWJVMGSTFGKZQH-UHFFFAOYSA-N 0 3 401.444 3.820 20 5 HHBDHN C[C@H](NC[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccc(Br)s1 ZINC000444767941 986927837 /nfs/dbraw/zinc/92/78/37/986927837.db2.gz SAFUHLKDBXWANQ-WDEREUQCSA-N 0 3 401.282 3.509 20 5 HHBDHN Cc1cccc(N2CCN(CCC(=O)NCCCCc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000469670593 987327753 /nfs/dbraw/zinc/32/77/53/987327753.db2.gz NZEHCXGXEMKLTP-UHFFFAOYSA-N 0 3 424.545 3.554 20 5 HHBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC(C(=O)NCCCOC(C)C)CC1 ZINC000470173839 988089591 /nfs/dbraw/zinc/08/95/91/988089591.db2.gz GICXEXOAKBUGAA-JXAWBTAJSA-N 0 3 403.523 3.641 20 5 HHBDHN CC(C)(C)OC(=O)[C@@H]1CCCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000464587013 988766371 /nfs/dbraw/zinc/76/63/71/988766371.db2.gz LUSGWFMLKVPBHZ-MRXNPFEDSA-N 0 3 401.463 3.846 20 5 HHBDHN CCN(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)CC1CCN(c2ccccn2)CC1 ZINC000464809647 989042683 /nfs/dbraw/zinc/04/26/83/989042683.db2.gz MYHSZGPHTHNCPN-UHFFFAOYSA-N 0 3 422.489 3.778 20 5 HHBDHN CCc1ccc(C(=O)Nc2ccc(C(=O)N(C)[C@H]3CCCN(C)C3)cc2)cc1[N+](=O)[O-] ZINC000471421947 989599987 /nfs/dbraw/zinc/59/99/87/989599987.db2.gz LGCOHEPMVMPZKE-FQEVSTJZSA-N 0 3 424.501 3.576 20 5 HHBDHN COc1ccc(CSCC(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)cc1[N+](=O)[O-] ZINC000471554809 989755020 /nfs/dbraw/zinc/75/50/20/989755020.db2.gz JJHPYHVJHOHJOS-QVKFZJNVSA-N 0 3 417.531 3.644 20 5 HHBDHN CCOC(=O)[C@]1(COC)CCCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000467539417 992818995 /nfs/dbraw/zinc/81/89/95/992818995.db2.gz HHWFRUNWAZHKJJ-OAQYLSRUSA-N 0 3 402.447 3.647 20 5 HHBDHN CN(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000472460213 993462348 /nfs/dbraw/zinc/46/23/48/993462348.db2.gz SOCXZXUIIFCEBV-FQEVSTJZSA-N 0 3 407.474 3.741 20 5 HHBDHN CC(C)c1ccc(C(=O)N(C)C2CCN(CCc3ccccn3)CC2)cc1[N+](=O)[O-] ZINC000473181397 994047423 /nfs/dbraw/zinc/04/74/23/994047423.db2.gz KBDWFWGBFHVNOZ-UHFFFAOYSA-N 0 3 410.518 3.892 20 5 HHBDHN CCOc1ccc(C(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)cc1[N+](=O)[O-] ZINC000473513032 994365612 /nfs/dbraw/zinc/36/56/12/994365612.db2.gz MFYPSJDBTWQSTG-UHFFFAOYSA-N 0 3 415.412 3.529 20 5 HHBDHN O=C(NC1CC(N2CCC(C(F)(F)F)CC2)C1)c1ccc([N+](=O)[O-])cc1Cl ZINC000473528767 994385640 /nfs/dbraw/zinc/38/56/40/994385640.db2.gz VAPDHFJZSCTMCR-UHFFFAOYSA-N 0 3 405.804 3.783 20 5 HHBDHN CC[C@@H](Cc1ccccc1Br)N(C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000481850402 994707106 /nfs/dbraw/zinc/70/71/06/994707106.db2.gz XAVZEAWLZAHODP-INIZCTEOSA-N 0 3 420.307 3.909 20 5 HHBDHN CCN1CCN(c2cccc(NC(=O)N(Cc3cccc([N+](=O)[O-])c3)C3CC3)c2)CC1 ZINC000473833166 994765144 /nfs/dbraw/zinc/76/51/44/994765144.db2.gz WVIGRZROPRBUIN-UHFFFAOYSA-N 0 3 423.517 3.933 20 5 HHBDHN CCN1CCN(c2cccc(NC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C3CC3)c2)CC1 ZINC000473834777 994767526 /nfs/dbraw/zinc/76/75/26/994767526.db2.gz AYXUUHZDNLTLQQ-UHFFFAOYSA-N 0 3 423.517 3.933 20 5 HHBDHN COC(=O)COc1ccc(CNC2(c3ccc(OC)cc3)CCCC2)cc1[N+](=O)[O-] ZINC000474381562 995359102 /nfs/dbraw/zinc/35/91/02/995359102.db2.gz XPXZJUDRCNLYPT-UHFFFAOYSA-N 0 3 414.458 3.714 20 5 HHBDHN CCN1CCN(c2cccc(NC(=O)CCCNc3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000474825812 995731463 /nfs/dbraw/zinc/73/14/63/995731463.db2.gz OZZPLHSUOATFNR-UHFFFAOYSA-N 0 3 411.506 3.568 20 5 HHBDHN CC(C)[C@H](CCO)N[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000475129357 995941237 /nfs/dbraw/zinc/94/12/37/995941237.db2.gz JRZBCDFAPUEFLO-PKOBYXMFSA-N 0 3 405.882 3.925 20 5 HHBDHN CN(C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475314780 996064855 /nfs/dbraw/zinc/06/48/55/996064855.db2.gz IFNXRUIWEXSBNB-FQEVSTJZSA-N 0 3 408.502 3.542 20 5 HHBDHN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](SC)[C@H](N2CCCC2)C1 ZINC000483398136 996150857 /nfs/dbraw/zinc/15/08/57/996150857.db2.gz TXBBITXINSBXHD-SJLPKXTDSA-N 0 3 409.577 3.749 20 5 HHBDHN COc1cc(CN2CCC[C@]2(CO)CC(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000475713185 996316641 /nfs/dbraw/zinc/31/66/41/996316641.db2.gz IHAMFTYDUYTMFJ-LJQANCHMSA-N 0 3 402.438 3.620 20 5 HHBDHN COc1cc(CN[C@@H]2CCCC[C@H]2n2cccn2)c([N+](=O)[O-])cc1OCC(F)F ZINC000484626103 996959441 /nfs/dbraw/zinc/95/94/41/996959441.db2.gz XZVRVXXPIXKEIV-HUUCEWRRSA-N 0 3 410.421 3.717 20 5 HHBDHN Cc1cccc(O[C@H]2CCCC[C@H]2NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000484651485 996987445 /nfs/dbraw/zinc/98/74/45/996987445.db2.gz MEFKZFHWMKSLDK-RTWAWAEBSA-N 0 3 418.515 3.657 20 5 HHBDHN COc1ccc(NC(=O)CN[C@H]2CCCC[C@H]2Oc2ccccc2C)c([N+](=O)[O-])c1 ZINC000484653804 996990760 /nfs/dbraw/zinc/99/07/60/996990760.db2.gz PFKRDXDUDNDGPF-GHTZIAJQSA-N 0 3 413.474 3.830 20 5 HHBDHN COc1cccc(CN(CCN(C)C)C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)c1 ZINC000484678147 997017325 /nfs/dbraw/zinc/01/73/25/997017325.db2.gz KFVLJLHWWSFRGK-UHFFFAOYSA-N 0 3 400.479 3.816 20 5 HHBDHN CC(C)c1n[n-]c(C(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1[N+](=O)[O-] ZINC000476977562 997597256 /nfs/dbraw/zinc/59/72/56/997597256.db2.gz AGJGDRWJMNBMQB-SJCJKPOMSA-N 0 3 423.876 3.657 20 5 HHBDHN CC(C)c1n[n-]c(C(=O)NC[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1[N+](=O)[O-] ZINC000476977562 997597265 /nfs/dbraw/zinc/59/72/65/997597265.db2.gz AGJGDRWJMNBMQB-SJCJKPOMSA-N 0 3 423.876 3.657 20 5 HHBDHN COc1cnccc1N1CCN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC1 ZINC000485403357 997834119 /nfs/dbraw/zinc/83/41/19/997834119.db2.gz IJEJYTANJYZTQS-UHFFFAOYSA-N 0 3 409.421 3.526 20 5 HHBDHN CC1(C)COCCN1CCNCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000477235295 997908914 /nfs/dbraw/zinc/90/89/14/997908914.db2.gz QHCIVBMYKDDEFW-UHFFFAOYSA-N 0 3 403.454 3.727 20 5 HHBDHN O=C(CCN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)Nc1ccccc1C(F)(F)F ZINC000485670753 998126374 /nfs/dbraw/zinc/12/63/74/998126374.db2.gz NQUMOMRTXXVKKD-ZDUSSCGKSA-N 0 3 423.395 3.524 20 5 HHBDHN CC(C)C[C@@H](CN(C)C)NC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000485946889 998390960 /nfs/dbraw/zinc/39/09/60/998390960.db2.gz MNZWCCJFFSTZME-AWEZNQCLSA-N 0 3 401.457 3.666 20 5 HHBDHN O=C(NC1CC(N2CCCCC2)C1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000477952728 998678669 /nfs/dbraw/zinc/67/86/69/998678669.db2.gz ANPTWFOIQKMDQX-UHFFFAOYSA-N 0 3 411.452 3.706 20 5 HHBDHN COC(=O)c1cnc(NC[C@H](c2cccs2)N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000478293949 998870344 /nfs/dbraw/zinc/87/03/44/998870344.db2.gz YIFQHDJHDBWNSV-MRXNPFEDSA-N 0 3 404.492 3.723 20 5 HHBDHN CCCN(CCN(C)C)C(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 ZINC000478532583 999013171 /nfs/dbraw/zinc/01/31/71/999013171.db2.gz ZEHZZPWKIMZTSP-UHFFFAOYSA-N 0 3 408.549 3.925 20 5 HHBDHN Cc1ccc([C@H](C)NC(=O)CCCN2CCN(c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000487980989 999335313 /nfs/dbraw/zinc/33/53/13/999335313.db2.gz MKWWGYVWZKDVRN-IBGZPJMESA-N 0 3 410.518 3.683 20 5 HHBDHN CN1CC[C@@H](NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000488011133 999347482 /nfs/dbraw/zinc/34/74/82/999347482.db2.gz XSWVJGCQTFSUJC-MJGOQNOKSA-N 0 3 402.882 3.535 20 5 HHBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC[C@H](c3nc4c(s3)CCCC4)C2)c1 ZINC000489103510 999700479 /nfs/dbraw/zinc/70/04/79/999700479.db2.gz PAZCXIBOPNLLEG-RDJZCZTQSA-N 0 3 417.531 3.549 20 5 HHBDHN CCCCN1CCCC[C@@H]1CNc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl ZINC000480508106 999814754 /nfs/dbraw/zinc/81/47/54/999814754.db2.gz DRBKJTMKRLNEMV-QGZVFWFLSA-N 0 3 419.913 3.861 20 5 HHBDHN COC(=O)c1cc(NC2CC(N3CCC(C(F)(F)F)CC3)C2)cc(C)c1[N+](=O)[O-] ZINC000480552849 999824823 /nfs/dbraw/zinc/82/48/23/999824823.db2.gz JDTUXCGJFFXMNI-UHFFFAOYSA-N 0 3 415.412 3.907 20 5 HHBDHN CCCOc1cc(NC(=O)N2CC[C@@H]3CCN(C)C[C@H]32)c([N+](=O)[O-])cc1OCCC ZINC000490790739 1000006490 /nfs/dbraw/zinc/00/64/90/1000006490.db2.gz FSXMTSOITRDYAT-MAUKXSAKSA-N 0 3 420.510 3.730 20 5 HHBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC(c2noc(C(C)C)n2)CC1 ZINC000505198618 1000612823 /nfs/dbraw/zinc/61/28/23/1000612823.db2.gz PJOFMJNDXZLYLR-UHFFFAOYSA-N 0 3 401.467 3.618 20 5 HHBDHN CCc1ccc([C@@H](CNC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)N(C)C)cc1 ZINC000506005317 1001156785 /nfs/dbraw/zinc/15/67/85/1001156785.db2.gz UHIFFCLHMUSHBP-OAQYLSRUSA-N 0 3 421.501 3.590 20 5 HHBDHN CN1CCC(N(Cc2ccco2)C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000498241477 1001725614 /nfs/dbraw/zinc/72/56/14/1001725614.db2.gz DILMFTBGHCUUPH-UHFFFAOYSA-N 0 3 409.389 3.526 20 5 HHBDHN COc1ccc([C@@H](CN(C)C)NC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000499110239 1002500383 /nfs/dbraw/zinc/50/03/83/1002500383.db2.gz JAMMHMAIHKEUOI-HNAYVOBHSA-N 0 3 400.479 3.575 20 5 HHBDHN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@H](C)C2=CCN(C)CC2)cc1 ZINC000512143010 1004053654 /nfs/dbraw/zinc/05/36/54/1004053654.db2.gz PHTBXWSGXHJKEA-OAHLLOKOSA-N 0 3 411.458 3.776 20 5 HHBDHN CC(C)Oc1ccc([C@@H](CNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])N(C)C)cc1 ZINC000512807212 1004570832 /nfs/dbraw/zinc/57/08/32/1004570832.db2.gz FASFZULUHKIVPJ-OAQYLSRUSA-N 0 3 414.506 3.826 20 5 HHBDHN CC(C)[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc2c(c1)OCCO2 ZINC000510683744 1004797290 /nfs/dbraw/zinc/79/72/90/1004797290.db2.gz RKLCBFKIYYOVAE-HXUWFJFHSA-N 0 3 419.865 3.945 20 5 HHBDHN CN1CCN(CCCNc2ccc([N+](=O)[O-])c3cccnc23)[C@H](c2ccccc2)C1 ZINC000513103682 1004807962 /nfs/dbraw/zinc/80/79/62/1004807962.db2.gz XULLZEPPRPEDIP-QFIPXVFZSA-N 0 3 405.502 3.934 20 5 HHBDHN C[C@H]1[C@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)CCN1Cc1ccccc1 ZINC000502158877 1004929655 /nfs/dbraw/zinc/92/96/55/1004929655.db2.gz QTYMWHIAJFHYBG-IFXJQAMLSA-N 0 3 402.882 3.710 20 5 HHBDHN CCOc1ccc([C@@H](C)N[C@H]2CCCN(C(=O)Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000511042080 1004993723 /nfs/dbraw/zinc/99/37/23/1004993723.db2.gz ATUGVEWHYRQYNY-XLIONFOSSA-N 0 3 411.502 3.878 20 5 HHBDHN CCOc1ccc([C@@H](C)N[C@@H]2CCCN(C(=O)Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000511042081 1004993955 /nfs/dbraw/zinc/99/39/55/1004993955.db2.gz ATUGVEWHYRQYNY-YLJYHZDGSA-N 0 3 411.502 3.878 20 5 HHBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC([C@@H](F)c2ccccc2F)CC1 ZINC000511127609 1005033169 /nfs/dbraw/zinc/03/31/69/1005033169.db2.gz WITVHGQMRFVPTD-IIBYNOLFSA-N 0 3 406.429 3.896 20 5 HHBDHN Cn1ccnc1[C@H](NC[C@@H](c1ccccc1)N1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000513761129 1005113967 /nfs/dbraw/zinc/11/39/67/1005113967.db2.gz MHMQLGHDDABCSE-FCHUYYIVSA-N 0 3 405.502 3.844 20 5 HHBDHN Cc1cccc(CN(CCN(C)C)C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)c1 ZINC000514208233 1005313457 /nfs/dbraw/zinc/31/34/57/1005313457.db2.gz KKLVQCBOOYQLPL-UHFFFAOYSA-N 0 3 407.417 3.709 20 5 HHBDHN Cc1c(NC(=O)[C@H](C)N[C@H]2CCN(C)[C@@H]2c2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000515021055 1006254697 /nfs/dbraw/zinc/25/46/97/1006254697.db2.gz VNOOFLVRBQHQCJ-ADLFWFRXSA-N 0 3 416.909 3.919 20 5 HHBDHN COc1ccc([C@H](CNC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)N2CCCC2)cc1 ZINC000515841540 1006712034 /nfs/dbraw/zinc/71/20/34/1006712034.db2.gz AMCJBRVKARMVTK-IERDGZPVSA-N 0 3 412.490 3.801 20 5 HHBDHN CN(C)CCN(Cc1cccc(Cl)c1)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC000534957672 1007001680 /nfs/dbraw/zinc/00/16/80/1007001680.db2.gz NKSURZWXNAQZGI-UHFFFAOYSA-N 0 3 400.866 3.934 20 5 HHBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000532581411 1007015584 /nfs/dbraw/zinc/01/55/84/1007015584.db2.gz MMLFEIZXLNQHLI-QGZVFWFLSA-N 0 3 413.449 3.966 20 5 HHBDHN CCN(CC)[C@@H](CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)c1cccc(OC)c1 ZINC000535331568 1007383798 /nfs/dbraw/zinc/38/37/98/1007383798.db2.gz DNKZIVTUICOFKH-QFIPXVFZSA-N 0 3 424.501 3.827 20 5 HHBDHN CC(C)c1n[n-]c(C(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000533223660 1007547477 /nfs/dbraw/zinc/54/74/77/1007547477.db2.gz PCTYCNYEGNLUER-HNNXBMFYSA-N 0 3 405.886 3.662 20 5 HHBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC(Oc2ccc(F)cc2)CC1 ZINC000533435454 1007749187 /nfs/dbraw/zinc/74/91/87/1007749187.db2.gz BVFZVAJVQIOAPN-UHFFFAOYSA-N 0 3 417.437 3.615 20 5 HHBDHN CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000517599480 1007801442 /nfs/dbraw/zinc/80/14/42/1007801442.db2.gz BQAWYMHEHWORKZ-QGZVFWFLSA-N 0 3 402.882 3.770 20 5 HHBDHN Cc1ccc(NC(=O)NC[C@@H]2CCCN(CCOc3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000533502108 1007813282 /nfs/dbraw/zinc/81/32/82/1007813282.db2.gz USUCDVFCINPXAO-SFHVURJKSA-N 0 3 412.490 3.816 20 5 HHBDHN COc1cc(C(=O)Nc2ccc(C)cc2CN(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000539621368 1007937908 /nfs/dbraw/zinc/93/79/08/1007937908.db2.gz OCOCBRHFBVGPSM-UHFFFAOYSA-N 0 3 409.389 3.827 20 5 HHBDHN Cc1c(NC(=O)CCN2CCC[C@@H]2c2n[nH]c(-c3ccccc3)n2)cccc1[N+](=O)[O-] ZINC000536069100 1008097399 /nfs/dbraw/zinc/09/73/99/1008097399.db2.gz VBZXCMOUIJDXRU-LJQANCHMSA-N 0 3 420.473 3.854 20 5 HHBDHN Cc1c(NC(=O)CC[N@@H+]2CCC[C@@H]2c2nnc(-c3ccccc3)[n-]2)cccc1[N+](=O)[O-] ZINC000536069100 1008097408 /nfs/dbraw/zinc/09/74/08/1008097408.db2.gz VBZXCMOUIJDXRU-LJQANCHMSA-N 0 3 420.473 3.854 20 5 HHBDHN Cc1c(NC(=O)CC[N@H+]2CCC[C@@H]2c2nnc(-c3ccccc3)[n-]2)cccc1[N+](=O)[O-] ZINC000536069100 1008097417 /nfs/dbraw/zinc/09/74/17/1008097417.db2.gz VBZXCMOUIJDXRU-LJQANCHMSA-N 0 3 420.473 3.854 20 5 HHBDHN CCOc1cc(CN2CC(C3CCC3)C2)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000518353249 1008273061 /nfs/dbraw/zinc/27/30/61/1008273061.db2.gz MAQTYTOZSYRTBP-UHFFFAOYSA-N 0 3 414.506 3.809 20 5 HHBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@@H](O)COc1ccccc1Br ZINC000540157001 1008315093 /nfs/dbraw/zinc/31/50/93/1008315093.db2.gz XMBVPLCYCXNHLH-DZGCQCFKSA-N 0 3 409.280 3.756 20 5 HHBDHN CC1(C)CN(CCNCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CCO1 ZINC000518776035 1008417818 /nfs/dbraw/zinc/41/78/18/1008417818.db2.gz UJTXDTCGNSVSFM-UHFFFAOYSA-N 0 3 403.454 3.727 20 5 HHBDHN O=[N+]([O-])c1ccccc1-c1ccc(CNCc2ccc(N3CCOCC3)nc2)s1 ZINC000540512970 1008462737 /nfs/dbraw/zinc/46/27/37/1008462737.db2.gz RJPIAKYKQROXCP-UHFFFAOYSA-N 0 3 410.499 3.845 20 5 HHBDHN Cc1ccc([C@H](CNC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])N(C)C)cc1 ZINC000540544747 1008475495 /nfs/dbraw/zinc/47/54/95/1008475495.db2.gz KLQMFONNHQLMNF-FQEVSTJZSA-N 0 3 404.470 3.998 20 5 HHBDHN COc1cccc([C@H]2[C@H](NCc3cc(OC)c(F)cc3[N+](=O)[O-])CCN2C2CC2)c1 ZINC000549471427 1009066636 /nfs/dbraw/zinc/06/66/36/1009066636.db2.gz JDOJNEYHTHOEPB-KNQAVFIVSA-N 0 3 415.465 3.819 20 5 HHBDHN COc1ccc2c(c1)C[C@H](C)N(CCCn1c3cc([N+](=O)[O-])ccc3oc1=O)[C@@H]2C ZINC000543806371 1009368984 /nfs/dbraw/zinc/36/89/84/1009368984.db2.gz BCDYOPUVSPSPPS-LSDHHAIUSA-N 0 3 411.458 3.909 20 5 HHBDHN CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000520987437 1010028453 /nfs/dbraw/zinc/02/84/53/1010028453.db2.gz UKSGDFVIIPRUJH-UHFFFAOYSA-N 0 3 409.458 3.556 20 5 HHBDHN CCN(C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000544851194 1010436294 /nfs/dbraw/zinc/43/62/94/1010436294.db2.gz QPLFHYXKIQUHBB-LJQANCHMSA-N 0 3 419.485 3.517 20 5 HHBDHN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000521957155 1010735796 /nfs/dbraw/zinc/73/57/96/1010735796.db2.gz UIUCPLWEXUCGTR-LSDHHAIUSA-N 0 3 405.882 3.652 20 5 HHBDHN CC[C@H]1CN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)CCN1Cc1ccccc1 ZINC000545345035 1010740696 /nfs/dbraw/zinc/74/06/96/1010740696.db2.gz RJRUQCGVOUGSDG-FQEVSTJZSA-N 0 3 422.529 3.932 20 5 HHBDHN O=C1C[C@H](CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CN1Cc1ccccc1 ZINC000536163102 1011291530 /nfs/dbraw/zinc/29/15/30/1011291530.db2.gz MHHHRIOQMDHINY-QGZVFWFLSA-N 0 3 422.510 3.857 20 5 HHBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000536205840 1011351080 /nfs/dbraw/zinc/35/10/80/1011351080.db2.gz YZUOQUQXEYUVQE-QGZVFWFLSA-N 0 3 419.865 3.739 20 5 HHBDHN O=[N+]([O-])c1ccc(-c2ccc(CN[C@H](C3CC3)[C@@]3(CO)CCCO3)o2)c(Cl)c1 ZINC000552146937 1012168153 /nfs/dbraw/zinc/16/81/53/1012168153.db2.gz DZZGQJDYEBKRMK-UXHICEINSA-N 0 3 406.866 3.918 20 5 HHBDHN C[C@@H](C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000541719809 1012571185 /nfs/dbraw/zinc/57/11/85/1012571185.db2.gz JXMSHVNOKLXEQR-CABCVRRESA-N 0 3 400.454 3.574 20 5 HHBDHN COc1cc(CN2CCC3(CCOCC3)[C@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000541784775 1012655170 /nfs/dbraw/zinc/65/51/70/1012655170.db2.gz JENHRXLBESUQNY-CYBMUJFWSA-N 0 3 400.422 3.638 20 5 HHBDHN Cc1c(NC(=O)CCN[C@@H](CO)c2ccc(C(F)(F)F)cc2)cccc1[N+](=O)[O-] ZINC000541949674 1012810994 /nfs/dbraw/zinc/81/09/94/1012810994.db2.gz UCMMBCBZJRAPSN-INIZCTEOSA-N 0 3 411.380 3.574 20 5 HHBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000554948204 1072980930 /nfs/dbraw/zinc/98/09/30/1072980930.db2.gz HYDRUCXZWCEHAV-JXFKEZNVSA-N 0 3 420.872 3.669 20 5 HHBDHN Cc1ccc(-c2ccc(N3CC[C@H]4[C@H]3CCN4Cc3cccnc3)nn2)cc1[N+](=O)[O-] ZINC001164735931 720416457 /nfs/dbraw/zinc/41/64/57/720416457.db2.gz ZPGMQCQVMMYJGF-LEWJYISDSA-N 0 3 416.485 3.608 20 5 HHBDHN Cc1cc(N2CC[C@H]3[C@H]2CCN3Cc2cccnc2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164733351 720452096 /nfs/dbraw/zinc/45/20/96/720452096.db2.gz PIASNGPSRIUBTK-LEWJYISDSA-N 0 3 416.485 3.608 20 5 HHBDHN CCCN(C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000303167106 971538820 /nfs/dbraw/zinc/53/88/20/971538820.db2.gz WEABHSUPMWGFKY-LJQANCHMSA-N 0 3 421.501 3.988 20 5 HHBDHN CCc1nc(C)c([C@@H](C)N(C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)s1 ZINC000303849725 972389668 /nfs/dbraw/zinc/38/96/68/972389668.db2.gz DIDKBHHYEFNUMH-CYBMUJFWSA-N 0 3 406.508 3.952 20 5 HHBDHN Cc1ccc(S(=O)(=O)N(C)[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000303871803 972413233 /nfs/dbraw/zinc/41/32/33/972413233.db2.gz XQCOGDIWOKRMOP-HKUYNNGSSA-N 0 3 417.531 3.577 20 5 HHBDHN COc1ccc([C@@H](CNC(=S)Nc2ccc([N+](=O)[O-])cc2)N2CCCC2)cc1 ZINC000016315667 963010075 /nfs/dbraw/zinc/01/00/75/963010075.db2.gz LIQLFIHUONOWDY-LJQANCHMSA-N 0 3 400.504 3.727 20 5 HHBDHN O=C(NC1CCN(Cc2ccccc2)CC1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000020903546 963403226 /nfs/dbraw/zinc/40/32/26/963403226.db2.gz HBKRMVRPQJQVET-UHFFFAOYSA-N 0 3 408.502 3.589 20 5 HHBDHN COc1cccc([C@H]2[C@@H](Nc3ncnc4sc([N+](=O)[O-])cc43)CCN2C2CC2)c1 ZINC000553518855 1013417961 /nfs/dbraw/zinc/41/79/61/1013417961.db2.gz NQFZBYRXWUWDME-WMZOPIPTSA-N 0 3 411.487 3.998 20 5 HHBDHN O=[N+]([O-])c1ccc(CNc2ccc3nc(CCN4CCOCC4)[nH]c3c2)c(Cl)c1 ZINC000542485930 1013433172 /nfs/dbraw/zinc/43/31/72/1013433172.db2.gz HEQITXHELVLJLX-UHFFFAOYSA-N 0 3 415.881 3.611 20 5 HHBDHN CC1CCN([C@@H](CNC(=O)COc2ccc([N+](=O)[O-])cc2)c2cccs2)CC1 ZINC000022680737 963695277 /nfs/dbraw/zinc/69/52/77/963695277.db2.gz FLTXPEDJJNUDCL-SFHVURJKSA-N 0 3 403.504 3.625 20 5 HHBDHN CC[C@H](N[C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[C@@H]1CCCO1 ZINC000542562096 1013504148 /nfs/dbraw/zinc/50/41/48/1013504148.db2.gz GJVNULAJNCNONE-NUTKFTJISA-N 0 3 404.492 3.593 20 5 HHBDHN CCN1CCN(c2ccc(NC(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)c(C)c2)CC1 ZINC000026909143 964720167 /nfs/dbraw/zinc/72/01/67/964720167.db2.gz REKSHVGOAKPCFD-UHFFFAOYSA-N 0 3 423.517 3.872 20 5 HHBDHN CCOc1cccc2cc([C@H](C)NC[C@H](O)COc3cccc([N+](=O)[O-])c3)oc21 ZINC000542587906 1013528564 /nfs/dbraw/zinc/52/85/64/1013528564.db2.gz ZCGIQLOOCXTZAS-YOEHRIQHSA-N 0 3 400.431 3.830 20 5 HHBDHN COc1ccc(CN[C@H](C)CC(=O)N(C)Cc2ccccc2Cl)cc1[N+](=O)[O-] ZINC000537991876 1013566594 /nfs/dbraw/zinc/56/65/94/1013566594.db2.gz TXXPSFREYPWHFG-CQSZACIVSA-N 0 3 405.882 3.784 20 5 HHBDHN O=C(NCCCCN1CCN(c2ccccc2)CC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000054573175 965568184 /nfs/dbraw/zinc/56/81/84/965568184.db2.gz FTTAWZQQLJLFOZ-UHFFFAOYSA-N 0 3 416.909 3.580 20 5 HHBDHN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000029964661 965576223 /nfs/dbraw/zinc/57/62/23/965576223.db2.gz LBHCTCQIBIBELC-UHFFFAOYSA-N 0 3 423.922 3.713 20 5 HHBDHN C[C@@H]1CN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CCN(C2CCC2)C1 ZINC000553863597 1013664518 /nfs/dbraw/zinc/66/45/18/1013664518.db2.gz ZSSBSGPEHVTHLY-AWEZNQCLSA-N 0 3 400.504 3.665 20 5 HHBDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000065140885 967391418 /nfs/dbraw/zinc/39/14/18/967391418.db2.gz OMUCEIXHPBMBON-FXAWDEMLSA-N 0 3 408.502 3.760 20 5 HHBDHN CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C1CCC(F)(F)CC1 ZINC000553992492 1013741878 /nfs/dbraw/zinc/74/18/78/1013741878.db2.gz ZPXKUDJRFWSARL-UHFFFAOYSA-N 0 3 406.227 3.806 20 5 HHBDHN COc1ccc(NC(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000542932676 1013767789 /nfs/dbraw/zinc/76/77/89/1013767789.db2.gz VVIMABKYCFZLDP-LJQANCHMSA-N 0 3 423.391 3.997 20 5 HHBDHN CN(C)Cc1ccccc1CNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000047771610 968307704 /nfs/dbraw/zinc/30/77/04/968307704.db2.gz KBPMWEXWTOYIKW-UHFFFAOYSA-N 0 3 411.380 3.528 20 5 HHBDHN CCN1CCN(c2ccc(NC(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)c(C)c2)CC1 ZINC000048315753 968520115 /nfs/dbraw/zinc/52/01/15/968520115.db2.gz OEIFZFQFLSWBIM-UHFFFAOYSA-N 0 3 407.474 3.779 20 5 HHBDHN CN(C)CCN(Cc1cccc(Cl)c1)C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000065936567 968724893 /nfs/dbraw/zinc/72/48/93/968724893.db2.gz WUGKXLLQEQGEQB-UHFFFAOYSA-N 0 3 414.893 3.793 20 5 HHBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC000072045770 968956590 /nfs/dbraw/zinc/95/65/90/968956590.db2.gz WPSJNRRMWAKCOC-AWEZNQCLSA-N 0 3 423.485 3.944 20 5 HHBDHN CCN(CC)[C@H](CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)c1cccc(OC)c1 ZINC000109890187 969587576 /nfs/dbraw/zinc/58/75/76/969587576.db2.gz IBGQDAWYTGOZEB-OAQYLSRUSA-N 0 3 410.474 3.898 20 5 HHBDHN CN(C)[C@@H](CNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)c1cccc(F)c1 ZINC000111221547 969809285 /nfs/dbraw/zinc/80/92/85/969809285.db2.gz DYZJVFUZWPYTFA-FQEVSTJZSA-N 0 3 400.454 3.685 20 5 HHBDHN CCCNC(=O)CCNCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000236842636 970179532 /nfs/dbraw/zinc/17/95/32/970179532.db2.gz OFRBQQFJUZFXHN-UHFFFAOYSA-N 0 3 410.268 3.623 20 5 HHBDHN Cc1ccc(CNCCC(=O)N(C)Cc2ccccc2Br)cc1[N+](=O)[O-] ZINC000237143027 970231373 /nfs/dbraw/zinc/23/13/73/970231373.db2.gz SZJJZJVNUOSDNE-UHFFFAOYSA-N 0 3 420.307 3.804 20 5 HHBDHN COc1ccc(CNCc2cccc(CO)c2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237240290 970247371 /nfs/dbraw/zinc/24/73/71/970247371.db2.gz QRQLGFQMQUKHCF-UHFFFAOYSA-N 0 3 408.454 3.965 20 5 HHBDHN C[C@@H]1CN([C@@H](CNCc2ccc([N+](=O)[O-])cc2)c2c(F)cccc2Cl)CCO1 ZINC000237432523 970285336 /nfs/dbraw/zinc/28/53/36/970285336.db2.gz FAOKDERBVXZNLF-KUHUBIRLSA-N 0 3 407.873 3.939 20 5 HHBDHN COc1ccccc1CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])C[C@@H]1CCCO1 ZINC000409856240 973325395 /nfs/dbraw/zinc/32/53/95/973325395.db2.gz OWCHQOQOZDALNH-SFHVURJKSA-N 0 3 413.474 3.613 20 5 HHBDHN O=C(NC[C@H]1CCCN1Cc1ccccc1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000426469968 974469208 /nfs/dbraw/zinc/46/92/08/974469208.db2.gz ROOGCMXEXKFWRN-JOCHJYFZSA-N 0 3 408.502 3.933 20 5 HHBDHN CSc1ccc(C(=O)N2CCC(CCN3C[C@H](C)O[C@@H](C)C3)CC2)cc1[N+](=O)[O-] ZINC000427296269 975032975 /nfs/dbraw/zinc/03/29/75/975032975.db2.gz NLFAOPRNRQJDEP-HOTGVXAUSA-N 0 3 421.563 3.668 20 5 HHBDHN C[C@@H]1CN(CCC2CCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4o3)CC2)C[C@H](C)O1 ZINC000427319350 975049429 /nfs/dbraw/zinc/04/94/29/975049429.db2.gz FXEUKYVKNGSQCN-IYBDPMFKSA-N 0 3 415.490 3.693 20 5 HHBDHN CCN1CCN(c2ccc(C(=O)N(Cc3cccc([N+](=O)[O-])c3)C3CC3)cc2)CC1 ZINC000427574299 975194029 /nfs/dbraw/zinc/19/40/29/975194029.db2.gz NMLPUHPFKNAQGB-UHFFFAOYSA-N 0 3 408.502 3.542 20 5 HHBDHN C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)N(C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000428475152 975773457 /nfs/dbraw/zinc/77/34/57/975773457.db2.gz BMFYASWTLJUVSO-IVEQORNPSA-N 0 3 415.515 3.841 20 5 HHBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@H](CO)Cc1cccc(Br)c1 ZINC000428531745 975826331 /nfs/dbraw/zinc/82/63/31/975826331.db2.gz DHLVZBSOKYUXRQ-OAHLLOKOSA-N 0 3 423.307 3.697 20 5 HHBDHN O=C(NC1CCN(Cc2ccccc2)CC1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431511136 978339438 /nfs/dbraw/zinc/33/94/38/978339438.db2.gz WRWOPDOJLHBVTN-UHFFFAOYSA-N 0 3 418.291 3.752 20 5 HHBDHN C[C@@H]1COCC[C@@H]1N[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000432229633 978723297 /nfs/dbraw/zinc/72/32/97/978723297.db2.gz SMMSGJLFACLKJG-XVGQJIODSA-N 0 3 403.866 3.943 20 5 HHBDHN C[C@@H](Nc1ccc(C(=O)NC[C@H]2CCCCN2C2CC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000434420647 980161185 /nfs/dbraw/zinc/16/11/85/980161185.db2.gz HLMWHSNCIOMTJX-VQIMIIECSA-N 0 3 423.517 3.910 20 5 HHBDHN Cc1sc(C(=O)Nc2ccnn2[C@H]2CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000435371348 980820742 /nfs/dbraw/zinc/82/07/42/980820742.db2.gz MGTUYCKZHGUJMU-INIZCTEOSA-N 0 3 411.487 3.861 20 5 HHBDHN Cc1ncsc1CN(C)C[C@@H]1CCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000436346005 981314664 /nfs/dbraw/zinc/31/46/64/981314664.db2.gz ROCRTGQTGHIANM-LBPRGKRZSA-N 0 3 415.441 3.732 20 5 HHBDHN CO[C@@H](C)c1nc(CN2CCCN(CCc3ccc([N+](=O)[O-])cc3)CC2)cs1 ZINC000437533210 982160472 /nfs/dbraw/zinc/16/04/72/982160472.db2.gz BRMAIVWRAFPWDV-INIZCTEOSA-N 0 3 404.536 3.509 20 5 HHBDHN CN(C)CCN(Cc1cccs1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000438621429 982943539 /nfs/dbraw/zinc/94/35/39/982943539.db2.gz IWPDCEVRCHNRPF-UHFFFAOYSA-N 0 3 414.434 3.853 20 5 HHBDHN CC[C@@H]1CN(c2ccccc2)CCN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000461375319 983049452 /nfs/dbraw/zinc/04/94/52/983049452.db2.gz KJBULSOBXKBOTI-QGZVFWFLSA-N 0 3 412.490 3.533 20 5 HHBDHN O=[N+]([O-])c1ccc(OC2CCN(C[C@H](O)COCc3ccccc3Cl)CC2)cc1 ZINC000438816394 983090855 /nfs/dbraw/zinc/09/08/55/983090855.db2.gz CAZGECRDMSUNDS-SFHVURJKSA-N 0 3 420.893 3.669 20 5 HHBDHN C[C@H](NC[C@H](O)COc1cc(F)cc(Br)c1)c1cccc([N+](=O)[O-])c1 ZINC000439440603 983410272 /nfs/dbraw/zinc/41/02/72/983410272.db2.gz OMROPVGXIPIXRF-ZBEGNZNMSA-N 0 3 413.243 3.587 20 5 HHBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000439772107 983532826 /nfs/dbraw/zinc/53/28/26/983532826.db2.gz VTZJVWCLUSHKKG-HOTGVXAUSA-N 0 3 414.531 3.812 20 5 HHBDHN CC1(C)CN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000440538732 983788573 /nfs/dbraw/zinc/78/85/73/983788573.db2.gz VMBBTRINCWZURX-VVBPWWLESA-N 0 3 415.490 3.562 20 5 HHBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000468002479 985652361 /nfs/dbraw/zinc/65/23/61/985652361.db2.gz GEUDZNJUBLSZOO-UHFFFAOYSA-N 0 3 400.401 3.830 20 5 HHBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000468011171 985663631 /nfs/dbraw/zinc/66/36/31/985663631.db2.gz GOCRTRPHMGMSQJ-UHFFFAOYSA-N 0 3 416.400 3.530 20 5 HHBDHN CN1CCN(CCCNc2ccc([N+](=O)[O-])c(OC(F)F)c2)[C@H](c2ccccc2)C1 ZINC000462924232 985857605 /nfs/dbraw/zinc/85/76/05/985857605.db2.gz LPYHBSMZCCGPNW-IBGZPJMESA-N 0 3 420.460 3.987 20 5 HHBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCN(CCCOCC(F)(F)F)CC1 ZINC000470180042 988096272 /nfs/dbraw/zinc/09/62/72/988096272.db2.gz HGLNHYLCTDZYII-FOWTUZBSSA-N 0 3 401.429 3.585 20 5 HHBDHN CN(C(=O)CCCNc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000470662573 988682443 /nfs/dbraw/zinc/68/24/43/988682443.db2.gz KOCCSHYRUWSRRO-JOCHJYFZSA-N 0 3 410.518 3.910 20 5 HHBDHN CN(C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000470666173 988687131 /nfs/dbraw/zinc/68/71/31/988687131.db2.gz FHIFHBIINVYWIF-JOCHJYFZSA-N 0 3 419.485 3.517 20 5 HHBDHN Cc1c(NC(=O)[C@H](C)N2CC[C@H](C)N(Cc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000464832846 989073467 /nfs/dbraw/zinc/07/34/67/989073467.db2.gz DFOHWNWRUJJLMJ-HKUYNNGSSA-N 0 3 410.518 3.827 20 5 HHBDHN CCCN1CCN(c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)c(OCC)c2)CC1 ZINC000471163622 989283676 /nfs/dbraw/zinc/28/36/76/989283676.db2.gz YUZSEDUPRHSGMZ-UHFFFAOYSA-N 0 3 412.490 3.778 20 5 HHBDHN C[C@H](NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])[C@@H](c1ccccc1)N(C)C ZINC000471528207 989727983 /nfs/dbraw/zinc/72/79/83/989727983.db2.gz LKONCYOPBGQQMU-XOBRGWDASA-N 0 3 405.882 3.825 20 5 HHBDHN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)NC[C@H]1CCCN1Cc1ccccc1 ZINC000466207653 991412779 /nfs/dbraw/zinc/41/27/79/991412779.db2.gz VRJZFRGMCRBOCD-GOSISDBHSA-N 0 3 402.882 3.712 20 5 HHBDHN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000466228732 991452144 /nfs/dbraw/zinc/45/21/44/991452144.db2.gz SHEIJGVNEBTIJV-KRWDZBQOSA-N 0 3 402.882 3.712 20 5 HHBDHN COCC[C@@H]1CCCCN(Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C1 ZINC000467279898 992602202 /nfs/dbraw/zinc/60/22/02/992602202.db2.gz URWMBBSRTQMHEE-AWEZNQCLSA-N 0 3 402.438 3.886 20 5 HHBDHN CCOC(=O)[C@@]1(COC)CCCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000467550223 992829342 /nfs/dbraw/zinc/82/93/42/992829342.db2.gz IDMSHMLLMPDGQZ-NRFANRHFSA-N 0 3 402.447 3.647 20 5 HHBDHN CN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000472478630 993481086 /nfs/dbraw/zinc/48/10/86/993481086.db2.gz UEDUUFIVWJBWBD-HXUWFJFHSA-N 0 3 407.474 3.741 20 5 HHBDHN CCOC(=O)C[C@H]1C[C@@H](OC)CN1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000482495125 995505837 /nfs/dbraw/zinc/50/58/37/995505837.db2.gz HRVJTABNKIOTNY-HUUCEWRRSA-N 0 3 404.488 3.866 20 5 HHBDHN Cc1ccc(CN(C)C)cc1NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000482629215 995623874 /nfs/dbraw/zinc/62/38/74/995623874.db2.gz KLPHTCGQABGERY-NRFANRHFSA-N 0 3 424.501 3.517 20 5 HHBDHN CN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000482985044 995901947 /nfs/dbraw/zinc/90/19/47/995901947.db2.gz BPATXYDBNXYEBN-VQTJNVASSA-N 0 3 418.856 3.666 20 5 HHBDHN CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)C[C@@H]1N1CCCC1 ZINC000483374464 996135793 /nfs/dbraw/zinc/13/57/93/996135793.db2.gz AKOVLPFCXQUQID-PKOBYXMFSA-N 0 3 423.604 3.995 20 5 HHBDHN CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)C[C@H]1N1CCCC1 ZINC000483407221 996158233 /nfs/dbraw/zinc/15/82/33/996158233.db2.gz RQQZYPSYGWJAOC-SJLPKXTDSA-N 0 3 409.577 3.747 20 5 HHBDHN CSc1cccc(N(C(=O)c2cc([N+](=O)[O-])cnc2C)C2CCN(C)CC2)c1 ZINC000484281610 996676921 /nfs/dbraw/zinc/67/69/21/996676921.db2.gz JHVKLQLZOPOKHF-UHFFFAOYSA-N 0 3 400.504 3.761 20 5 HHBDHN CC(C)[C@H](N[C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1)C(=O)N1CCOCC1 ZINC000484285810 996679299 /nfs/dbraw/zinc/67/92/99/996679299.db2.gz CJYJIJSIYVFQRV-QRWLVFNGSA-N 0 3 417.531 3.857 20 5 HHBDHN CC[C@@H](N[C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1)C(=O)N1CCOCC1 ZINC000484291844 996682827 /nfs/dbraw/zinc/68/28/27/996682827.db2.gz NPGYNKVZMWUAFC-GOEBONIOSA-N 0 3 403.504 3.611 20 5 HHBDHN COCCN1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000484920379 997295425 /nfs/dbraw/zinc/29/54/25/997295425.db2.gz XHEYCBPTDUCPEH-QGZVFWFLSA-N 0 3 415.515 3.587 20 5 HHBDHN Cc1c(NC(=O)CCN(C)[C@H](C)c2ccc([S@](C)=O)cc2)cccc1[N+](=O)[O-] ZINC000477065688 997711531 /nfs/dbraw/zinc/71/15/31/997711531.db2.gz IKMXMUKYLGMHMH-JMGYQRAPSA-N 0 3 403.504 3.662 20 5 HHBDHN Cc1c(CN(C)[C@@H](C)c2ccc(N3CCCS3(=O)=O)cc2)cccc1[N+](=O)[O-] ZINC000485831042 998297644 /nfs/dbraw/zinc/29/76/44/998297644.db2.gz GSPURYGJSIPMIZ-INIZCTEOSA-N 0 3 403.504 3.636 20 5 HHBDHN CC(C)C[C@@H](CN(C)C)NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000485944492 998388175 /nfs/dbraw/zinc/38/81/75/998388175.db2.gz XNMBAWJXBNYZML-HNNXBMFYSA-N 0 3 401.457 3.666 20 5 HHBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000477933632 998666420 /nfs/dbraw/zinc/66/64/20/998666420.db2.gz TWFGBWTXLIEUSR-MSOLQXFVSA-N 0 3 417.506 3.995 20 5 HHBDHN O=[N+]([O-])c1ccc(CNC[C@H](CO)Cc2cccc(OC(F)(F)F)c2)c(F)c1 ZINC000478172774 998800922 /nfs/dbraw/zinc/80/09/22/998800922.db2.gz IIGNGCMIVWXXOU-CYBMUJFWSA-N 0 3 402.344 3.573 20 5 HHBDHN CSc1cccc(C(=O)N2CCC(CCN3C[C@@H](C)O[C@@H](C)C3)CC2)c1[N+](=O)[O-] ZINC000486687587 998892774 /nfs/dbraw/zinc/89/27/74/998892774.db2.gz KLBMEUNUVUABIW-IYBDPMFKSA-N 0 3 421.563 3.668 20 5 HHBDHN O=[N+]([O-])c1ccn(C2CCN(Cc3c(-c4ccccc4)nc4ccccn43)CC2)n1 ZINC000488771456 999602198 /nfs/dbraw/zinc/60/21/98/999602198.db2.gz VMJRXHDEUWJLKZ-UHFFFAOYSA-N 0 3 402.458 3.943 20 5 HHBDHN O=[N+]([O-])c1cccc(-c2nc(CNC[C@@H](CO)Cc3ccc(F)c(F)c3)cs2)c1 ZINC000480448261 999801628 /nfs/dbraw/zinc/80/16/28/999801628.db2.gz VPUIKAQYROFXEN-AWEZNQCLSA-N 0 3 419.453 3.937 20 5 HHBDHN CC(C)Oc1ccc([C@@H](CNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)N(C)C)cc1 ZINC000489946435 999867735 /nfs/dbraw/zinc/86/77/35/999867735.db2.gz LYILLCGUUHDFTP-HXUWFJFHSA-N 0 3 421.444 3.622 20 5 HHBDHN COC[C@@H](c1ccc(Cl)cc1)N(C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000490073823 999889288 /nfs/dbraw/zinc/88/92/88/999889288.db2.gz GSCCJUQIWLFSOQ-SFHVURJKSA-N 0 3 421.881 3.905 20 5 HHBDHN C[C@H]1[C@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC000494013670 1000267076 /nfs/dbraw/zinc/26/70/76/1000267076.db2.gz AEJAWTNBXUQOPX-FXAWDEMLSA-N 0 3 408.502 3.588 20 5 HHBDHN C[C@@H]1[C@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC000494013675 1000267336 /nfs/dbraw/zinc/26/73/36/1000267336.db2.gz AEJAWTNBXUQOPX-YLJYHZDGSA-N 0 3 408.502 3.588 20 5 HHBDHN C[C@@H](Cn1cc(Br)cn1)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000494511717 1000532956 /nfs/dbraw/zinc/53/29/56/1000532956.db2.gz IQYBPWUDUMDYGI-VIFPVBQESA-N 0 3 407.190 3.751 20 5 HHBDHN CN(C(=O)c1ccc([N+](=O)[O-])c2cccnc12)C1CCN(Cc2ccccc2)CC1 ZINC000498144372 1001662363 /nfs/dbraw/zinc/66/23/63/1001662363.db2.gz AXPPVIPWSAIQAC-UHFFFAOYSA-N 0 3 404.470 3.880 20 5 HHBDHN COc1cc(CN2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000498929348 1002326905 /nfs/dbraw/zinc/32/69/05/1002326905.db2.gz OCUSMZREVDQAAL-LBPRGKRZSA-N 0 3 423.420 3.580 20 5 HHBDHN COc1cc(CN2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000498929348 1002326917 /nfs/dbraw/zinc/32/69/17/1002326917.db2.gz OCUSMZREVDQAAL-LBPRGKRZSA-N 0 3 423.420 3.580 20 5 HHBDHN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000498935671 1002333563 /nfs/dbraw/zinc/33/35/63/1002333563.db2.gz LRMFGYDMEYUOIO-IUODEOHRSA-N 0 3 409.450 3.581 20 5 HHBDHN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000498935671 1002333570 /nfs/dbraw/zinc/33/35/70/1002333570.db2.gz LRMFGYDMEYUOIO-IUODEOHRSA-N 0 3 409.450 3.581 20 5 HHBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCc1cc(Cl)c2c(c1)OCCCO2 ZINC000508345563 1002847065 /nfs/dbraw/zinc/84/70/65/1002847065.db2.gz VSAACTQURQSZJV-CYBMUJFWSA-N 0 3 419.865 3.916 20 5 HHBDHN CN(C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)C1CCN(Cc2ccccc2)CC1 ZINC000499485911 1002873207 /nfs/dbraw/zinc/87/32/07/1002873207.db2.gz GQMARJYTSSSPKM-UHFFFAOYSA-N 0 3 419.485 3.517 20 5 HHBDHN NC(=O)CC1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CC1 ZINC000508607654 1003062433 /nfs/dbraw/zinc/06/24/33/1003062433.db2.gz BKILCQZIDQPCCV-UHFFFAOYSA-N 0 3 422.279 3.705 20 5 HHBDHN CN(C(=O)c1ccc([N+](=O)[O-])c2cccnc12)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000499829676 1003164607 /nfs/dbraw/zinc/16/46/07/1003164607.db2.gz UPIOYVSLSRWDIX-SFHVURJKSA-N 0 3 404.470 3.880 20 5 HHBDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000500147708 1003504878 /nfs/dbraw/zinc/50/48/78/1003504878.db2.gz ITTXNVSWZWZBHV-SCLBCKFNSA-N 0 3 407.392 3.864 20 5 HHBDHN COc1ccc(-c2ccc(CN[C@@H](CO)Cc3ccc(F)cc3)o2)c([N+](=O)[O-])c1 ZINC000500244339 1003577927 /nfs/dbraw/zinc/57/79/27/1003577927.db2.gz FFMUNPHDFHEMLW-MRXNPFEDSA-N 0 3 400.406 3.696 20 5 HHBDHN COc1ccc([C@H](CN2CCCC2)NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)cc1 ZINC000500394282 1003688787 /nfs/dbraw/zinc/68/87/87/1003688787.db2.gz DSLXDARYTHCGDS-IBGZPJMESA-N 0 3 408.458 3.652 20 5 HHBDHN COc1ccc([C@@H](CN2CCCC2)NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)cc1 ZINC000500404060 1003695544 /nfs/dbraw/zinc/69/55/44/1003695544.db2.gz CCPWLTZEEBYFGT-LJQANCHMSA-N 0 3 403.866 3.824 20 5 HHBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCCN1CCc2ccccc2C1 ZINC000509327338 1003709326 /nfs/dbraw/zinc/70/93/26/1003709326.db2.gz KNMAYMCVZFYYRP-UHFFFAOYSA-N 0 3 410.518 3.963 20 5 HHBDHN CC[C@@H](C)N[C@H](CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccco1 ZINC000509596937 1003970289 /nfs/dbraw/zinc/97/02/89/1003970289.db2.gz WEVOIYHQLADQSJ-DNVCBOLYSA-N 0 3 400.479 3.991 20 5 HHBDHN CCN1CCC[C@@H](CN(C)c2ccc([N+](=O)[O-])c3cccnc32)[C@@H]1c1cnn(C)c1 ZINC000509601513 1003972530 /nfs/dbraw/zinc/97/25/30/1003972530.db2.gz PFKAZDALISUSHG-KSFYIVLOSA-N 0 3 408.506 3.786 20 5 HHBDHN Cn1cc(CN2CC[C@H](n3ncc4ccccc43)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000513385594 1004937348 /nfs/dbraw/zinc/93/73/48/1004937348.db2.gz YBYMFOMHRUPLRQ-FQEVSTJZSA-N 0 3 402.458 3.792 20 5 HHBDHN COc1cc(CN2CCN(CC3CC3)CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000513631707 1005057726 /nfs/dbraw/zinc/05/77/26/1005057726.db2.gz GGXBNKUXOPDIFZ-UHFFFAOYSA-N 0 3 411.502 3.710 20 5 HHBDHN COc1ccc(CSCC(=O)N(CCN(C)C)C2CCCCC2)cc1[N+](=O)[O-] ZINC000511324747 1005124978 /nfs/dbraw/zinc/12/49/78/1005124978.db2.gz XMJDYOPLWXIFBX-UHFFFAOYSA-N 0 3 409.552 3.560 20 5 HHBDHN CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000502704676 1005186019 /nfs/dbraw/zinc/18/60/19/1005186019.db2.gz FKPSTQGYYJCRLI-KSSFIOAISA-N 0 3 422.407 3.774 20 5 HHBDHN COc1ccc(-c2ccc(CN3CCCC[C@H]3CN3CCOCC3)o2)c([N+](=O)[O-])c1 ZINC000514095315 1005262978 /nfs/dbraw/zinc/26/29/78/1005262978.db2.gz QRDZFOMQMVBBAX-KRWDZBQOSA-N 0 3 415.490 3.550 20 5 HHBDHN CCN1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000503453353 1005424794 /nfs/dbraw/zinc/42/47/94/1005424794.db2.gz ONFNRRLLWXHOEJ-SFHVURJKSA-N 0 3 401.438 3.566 20 5 HHBDHN CCN1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000503453352 1005424847 /nfs/dbraw/zinc/42/48/47/1005424847.db2.gz ONFNRRLLWXHOEJ-GOSISDBHSA-N 0 3 401.438 3.566 20 5 HHBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H](Cn1ccccc1=O)c1ccccc1 ZINC000503906745 1005508990 /nfs/dbraw/zinc/50/89/90/1005508990.db2.gz AITJUEDETHLBJQ-UTKZUKDTSA-N 0 3 420.469 3.505 20 5 HHBDHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H](Cn1ccccc1=O)c1ccccc1 ZINC000503906744 1005509105 /nfs/dbraw/zinc/50/91/05/1005509105.db2.gz AITJUEDETHLBJQ-LAUBAEHRSA-N 0 3 420.469 3.505 20 5 HHBDHN COC(=O)c1ccccc1C(=O)c1ccc(NC[C@@H]2CCN(C3CC3)C2)c([N+](=O)[O-])c1 ZINC000514922846 1006206764 /nfs/dbraw/zinc/20/67/64/1006206764.db2.gz CILZGGYMUVCCPL-HNNXBMFYSA-N 0 3 423.469 3.509 20 5 HHBDHN COc1cc(C[NH2+]C[C@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)c([N+](=O)[O-])cc1[O-] ZINC000534239806 1006245129 /nfs/dbraw/zinc/24/51/29/1006245129.db2.gz GMBZOLYLUSMDDK-ZUOKHONESA-N 0 3 423.872 3.884 20 5 HHBDHN COc1ccc(NC(=O)CCN2CC[C@H](Oc3cccc(Cl)c3)C2)c([N+](=O)[O-])c1 ZINC000534661099 1006638244 /nfs/dbraw/zinc/63/82/44/1006638244.db2.gz ZYLWNZBZVJWQTJ-KRWDZBQOSA-N 0 3 419.865 3.739 20 5 HHBDHN CS(=O)(=O)[C@@H]1CCC[C@@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000538419189 1006687354 /nfs/dbraw/zinc/68/73/54/1006687354.db2.gz DSXRSZPYQHTKLG-IUODEOHRSA-N 0 3 412.895 3.954 20 5 HHBDHN CSc1ccc([C@@H](CNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)N(C)C)cc1 ZINC000515906571 1006751558 /nfs/dbraw/zinc/75/15/58/1006751558.db2.gz WEPVACPRDLXYEJ-GOSISDBHSA-N 0 3 409.458 3.557 20 5 HHBDHN CC1(C)C[C@H](NCc2ccc(C(=O)N3CCOCC3)cc2)c2cc([N+](=O)[O-])ccc21 ZINC000515965507 1006794612 /nfs/dbraw/zinc/79/46/12/1006794612.db2.gz RCCYPROOCJEGLG-NRFANRHFSA-N 0 3 409.486 3.579 20 5 HHBDHN COc1cccc([C@@H](CNC(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])N2CCCC2)c1 ZINC000539297196 1007595272 /nfs/dbraw/zinc/59/52/72/1007595272.db2.gz HNXQMSGHYPQHJY-IIBYNOLFSA-N 0 3 412.490 3.801 20 5 HHBDHN COc1ccc(NC(=O)CCN2CC=C(c3c[nH]c4ncccc34)CC2)c([N+](=O)[O-])c1 ZINC000533344223 1007652257 /nfs/dbraw/zinc/65/22/57/1007652257.db2.gz VIFGQJWOYBRYOK-UHFFFAOYSA-N 0 3 421.457 3.598 20 5 HHBDHN CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000517601961 1007805313 /nfs/dbraw/zinc/80/53/13/1007805313.db2.gz MVZZRTHWUZJZEA-IBGZPJMESA-N 0 3 414.531 3.595 20 5 HHBDHN COc1ccc(-c2ccc(CN3CCC[C@@H](C(=O)N4CCCC4)C3)o2)c([N+](=O)[O-])c1 ZINC000539828147 1008122048 /nfs/dbraw/zinc/12/20/48/1008122048.db2.gz CBPZTLWDKKLHSL-MRXNPFEDSA-N 0 3 413.474 3.698 20 5 HHBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000539842815 1008134123 /nfs/dbraw/zinc/13/41/23/1008134123.db2.gz AYCXDPFIOIRPHN-UHFFFAOYSA-N 0 3 424.545 3.852 20 5 HHBDHN COc1cc(CN2CCC[C@H]([C@H]3CCOC3)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000539898211 1008171259 /nfs/dbraw/zinc/17/12/59/1008171259.db2.gz NGLZCXZDJVNZQE-KBPBESRZSA-N 0 3 418.412 3.793 20 5 HHBDHN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000518353085 1008273134 /nfs/dbraw/zinc/27/31/34/1008273134.db2.gz GCMMYOFLWNSNKW-LJQANCHMSA-N 0 3 421.501 3.582 20 5 HHBDHN Cc1ccc([C@@H](C)NCCNC(=O)c2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000540182409 1008326412 /nfs/dbraw/zinc/32/64/12/1008326412.db2.gz PXEKUFZINGOFJM-CYBMUJFWSA-N 0 3 406.280 3.746 20 5 HHBDHN C[C@H]1CN([C@H](CNCc2cccc([N+](=O)[O-])c2)c2c(F)cccc2Cl)CCO1 ZINC000518765659 1008416611 /nfs/dbraw/zinc/41/66/11/1008416611.db2.gz VFYLHJFZZVNSJG-IFXJQAMLSA-N 0 3 407.873 3.939 20 5 HHBDHN CN(C)C[C@@H](NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000549229614 1008800088 /nfs/dbraw/zinc/80/00/88/1008800088.db2.gz AKTJAELENYHVOK-LJQANCHMSA-N 0 3 404.898 3.859 20 5 HHBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCN(Cc3cccs3)C2)c1 ZINC000549421035 1009009867 /nfs/dbraw/zinc/00/98/67/1009009867.db2.gz MMJQLODBPKNPFJ-OAHLLOKOSA-N 0 3 403.504 3.697 20 5 HHBDHN C[C@@H](c1nc2ccccc2s1)[C@H](C)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000543599151 1009204019 /nfs/dbraw/zinc/20/40/19/1009204019.db2.gz QIYOJSUCOVQGLS-KGLIPLIRSA-N 0 3 419.528 3.760 20 5 HHBDHN Cc1ccc([C@H](CNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)N(C)C)cc1 ZINC000520065090 1009227209 /nfs/dbraw/zinc/22/72/09/1009227209.db2.gz ATHCNVKXJUVHBB-QFIPXVFZSA-N 0 3 410.518 3.539 20 5 HHBDHN COc1cc(CN2CCC[C@H]([C@@H](C)O)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000543748893 1009327912 /nfs/dbraw/zinc/32/79/12/1009327912.db2.gz HUZMSNOJVYHRCY-APWZRJJASA-N 0 3 400.475 3.775 20 5 HHBDHN C[C@H](Cn1ccnc1)NCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000520207895 1009342498 /nfs/dbraw/zinc/34/24/98/1009342498.db2.gz PVUWPLIWYDBYRZ-GFCCVEGCSA-N 0 3 405.252 3.992 20 5 HHBDHN COc1cc(CNC[C@]2(O)CCCC2(C)C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000549861651 1009481140 /nfs/dbraw/zinc/48/11/40/1009481140.db2.gz XPGJCQZTODAPNF-QGZVFWFLSA-N 0 3 406.401 3.575 20 5 HHBDHN CC(C)Oc1ccc([C@H](CNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)N(C)C)cc1 ZINC000520449758 1009562560 /nfs/dbraw/zinc/56/25/60/1009562560.db2.gz UPFGRQWDGGHZDX-FQEVSTJZSA-N 0 3 410.474 3.896 20 5 HHBDHN O=C1[C@@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CCCN1Cc1ccccn1 ZINC000544182954 1009786378 /nfs/dbraw/zinc/78/63/78/1009786378.db2.gz IAGGLYZDJXXITF-FQEVSTJZSA-N 0 3 422.510 3.999 20 5 HHBDHN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000520990416 1010030053 /nfs/dbraw/zinc/03/00/53/1010030053.db2.gz MOGXABMYCLORSA-AWEZNQCLSA-N 0 3 423.872 3.745 20 5 HHBDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000521249843 1010255547 /nfs/dbraw/zinc/25/55/47/1010255547.db2.gz DUZUFMZKBQUJFK-VKJFTORMSA-N 0 3 417.893 3.967 20 5 HHBDHN CN(C)CCN(Cc1cccc(Cl)c1)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000536234593 1011383789 /nfs/dbraw/zinc/38/37/89/1011383789.db2.gz RTFPPEWJSMEGAD-UHFFFAOYSA-N 0 3 404.898 3.564 20 5 HHBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000541021870 1011655476 /nfs/dbraw/zinc/65/54/76/1011655476.db2.gz QUPDBKNOSBCPGG-QGZVFWFLSA-N 0 3 411.380 3.574 20 5 HHBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000536689266 1011855839 /nfs/dbraw/zinc/85/58/39/1011855839.db2.gz YQKFMKOICYJGOD-UHFFFAOYSA-N 0 3 424.501 3.598 20 5 HHBDHN C[C@@H](c1ccncc1)N1CCC(N[C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000552061779 1012079640 /nfs/dbraw/zinc/07/96/40/1012079640.db2.gz ZZNJRTLMUBTSCS-HTAPYJJXSA-N 0 3 420.517 3.628 20 5 HHBDHN C[C@@H]1CCCN(c2ccc(C(=O)N(CCN(C)C)C3CCCC3)cc2[N+](=O)[O-])C1 ZINC000523663580 1012258165 /nfs/dbraw/zinc/25/81/65/1012258165.db2.gz LBIPKEQVBIGMBV-QGZVFWFLSA-N 0 3 402.539 3.778 20 5 HHBDHN O=C([C@@H]1CN(Cc2ccccc2)CCC1(F)F)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000552325920 1012334820 /nfs/dbraw/zinc/33/48/20/1012334820.db2.gz DFVTVDPRXUDNAX-FQEVSTJZSA-N 0 3 415.440 3.637 20 5 HHBDHN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NCCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000541602917 1012400091 /nfs/dbraw/zinc/40/00/91/1012400091.db2.gz ZVIDKQVILCTAKD-NSHDSACASA-N 0 3 413.400 3.650 20 5 HHBDHN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)NCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000541603465 1012400487 /nfs/dbraw/zinc/40/04/87/1012400487.db2.gz OGPOREXNFYWAGC-LLVKDONJSA-N 0 3 413.400 3.650 20 5 HHBDHN Cc1c(NC(=O)[C@H](C)N[C@H](c2ccc3c(c2)OCCO3)C2CC2)cccc1[N+](=O)[O-] ZINC000537290483 1012749388 /nfs/dbraw/zinc/74/93/88/1012749388.db2.gz JYGLPKWDLVSJQM-QKKBWIMNSA-N 0 3 411.458 3.742 20 5 HHBDHN Cc1c(NC(=O)[C@H](C)N[C@@H](c2ccc3c(c2)OCCO3)C2CC2)cccc1[N+](=O)[O-] ZINC000537290472 1012749983 /nfs/dbraw/zinc/74/99/83/1012749983.db2.gz JYGLPKWDLVSJQM-LHSJRXKWSA-N 0 3 411.458 3.742 20 5 HHBDHN CN(CCN(Cc1ccccc1)C(=O)Nc1ccncc1[N+](=O)[O-])Cc1ccccc1 ZINC000541908324 1012768049 /nfs/dbraw/zinc/76/80/49/1012768049.db2.gz FPLXWGMSNMSXDG-UHFFFAOYSA-N 0 3 419.485 3.578 20 5 HHBDHN CCCN(C)[C@@H](CNC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000553016729 1012990456 /nfs/dbraw/zinc/99/04/56/1012990456.db2.gz FHEYRXWNGVLIGP-HNNXBMFYSA-N 0 3 407.902 3.908 20 5 HHBDHN Cc1c(NC(=O)[C@H](C)N[C@@H]2CCN(C)[C@@H]2c2ccc(F)c(F)c2)cccc1[N+](=O)[O-] ZINC000571811666 1072862045 /nfs/dbraw/zinc/86/20/45/1072862045.db2.gz YUFYJKKXCDZGMZ-CYFNAFFESA-N 0 3 418.444 3.543 20 5 HHBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(N3CCN(CC)CC3)cc2C)c1 ZINC000554884699 1072935757 /nfs/dbraw/zinc/93/57/57/1072935757.db2.gz PISAKDAAVKSPGF-UHFFFAOYSA-N 0 3 412.490 3.696 20 5 HHBDHN CN(C)C[C@@H](NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccc(Cl)cc1 ZINC000555230969 1073275708 /nfs/dbraw/zinc/27/57/08/1073275708.db2.gz RTPGPQQQYHPPEG-LJQANCHMSA-N 0 3 400.866 3.691 20 5 HHBDHN C[C@@H](NC[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccc(F)c(Br)c1 ZINC000590193877 1073641113 /nfs/dbraw/zinc/64/11/13/1073641113.db2.gz WINCORUMLGKPEE-DGCLKSJQSA-N 0 3 413.243 3.587 20 5 HHBDHN CN1C[C@H]2CCN(C(=O)c3ccc(NCc4ccccc4Cl)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000590445875 1073838526 /nfs/dbraw/zinc/83/85/26/1073838526.db2.gz SOEIKQVMCJUHDW-UZLBHIALSA-N 0 3 414.893 3.636 20 5 HHBDHN CC(C)Oc1ccc([C@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)N(C)C)cc1 ZINC000568067984 1074110488 /nfs/dbraw/zinc/11/04/88/1074110488.db2.gz NNJMCKJMXXZZIC-IBGZPJMESA-N 0 3 404.442 3.946 20 5 HHBDHN CNC(=O)c1ccc(N[C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)c([N+](=O)[O-])c1 ZINC000301300285 970856574 /nfs/dbraw/zinc/85/65/74/970856574.db2.gz UQLCDACQABPJJM-MRXNPFEDSA-N 0 3 422.407 3.660 20 5 HHBDHN CN(C)[C@@H](CNc1ccc([N+](=O)[O-])cc1N1CCOC1=O)c1ccc(Cl)cc1 ZINC000301465077 970943159 /nfs/dbraw/zinc/94/31/59/970943159.db2.gz HAZTXAOICKNDKA-SFHVURJKSA-N 0 3 404.854 3.920 20 5 HHBDHN O=C(NCC1(N2CCSCC2)CCCCC1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000303455987 971759190 /nfs/dbraw/zinc/75/91/90/971759190.db2.gz MIWCZPOOUSOTEG-UHFFFAOYSA-N 0 3 418.563 3.651 20 5 HHBDHN C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000553176231 1013137281 /nfs/dbraw/zinc/13/72/81/1013137281.db2.gz VGCFIEVNGQXHNW-CJNGLKHVSA-N 0 3 411.452 3.658 20 5 HHBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000537681531 1013241954 /nfs/dbraw/zinc/24/19/54/1013241954.db2.gz KOPWSUNBYNQRSR-HDICACEKSA-N 0 3 417.550 3.872 20 5 HHBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000537681533 1013242359 /nfs/dbraw/zinc/24/23/59/1013242359.db2.gz KOPWSUNBYNQRSR-ROUUACIJSA-N 0 3 417.550 3.872 20 5 HHBDHN O=C(CCN1CCN(Cc2cccc3ccccc32)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000026260147 964508323 /nfs/dbraw/zinc/50/83/23/964508323.db2.gz FWGULHUDKANXDX-UHFFFAOYSA-N 0 3 418.497 3.894 20 5 HHBDHN COc1ccc(CN(C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1OC(F)F ZINC000026453634 964569790 /nfs/dbraw/zinc/56/97/90/964569790.db2.gz FSGGNZDKWRUFPO-UHFFFAOYSA-N 0 3 423.416 3.974 20 5 HHBDHN Cn1cc(C(=O)NC[C@H](c2ccccc2)N2CCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000052960125 965031250 /nfs/dbraw/zinc/03/12/50/965031250.db2.gz NJQNHVPDTQCYSW-OAQYLSRUSA-N 0 3 419.485 3.562 20 5 HHBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCCNC(=O)c1cccc(Br)c1 ZINC000537978614 1013554496 /nfs/dbraw/zinc/55/44/96/1013554496.db2.gz AOSSSPQJOALYNX-ZDUSSCGKSA-N 0 3 406.280 3.746 20 5 HHBDHN O=C(N[C@H](CN1CCCC1)c1ccccc1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000029178214 965298754 /nfs/dbraw/zinc/29/87/54/965298754.db2.gz VMCUGRWECFURMX-OAQYLSRUSA-N 0 3 422.529 3.765 20 5 HHBDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000054227810 965436371 /nfs/dbraw/zinc/43/63/71/965436371.db2.gz CNIIQKDRINMRTB-LPHOPBHVSA-N 0 3 419.485 3.561 20 5 HHBDHN O=C(NCCc1ccc([N+](=O)[O-])cc1)Nc1ccc(CCN2CCSCC2)cc1 ZINC000061791091 966555719 /nfs/dbraw/zinc/55/57/19/966555719.db2.gz MDXLUOHUVFUUQD-UHFFFAOYSA-N 0 3 414.531 3.550 20 5 HHBDHN CC(C)Oc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)N(C)C)cc1 ZINC000554015277 1013755290 /nfs/dbraw/zinc/75/52/90/1013755290.db2.gz TWBOVUSLKRRWMI-OAQYLSRUSA-N 0 3 422.485 3.963 20 5 HHBDHN CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000065938820 968729284 /nfs/dbraw/zinc/72/92/84/968729284.db2.gz SQEIOLRYCBINMZ-UHFFFAOYSA-N 0 3 401.410 3.879 20 5 HHBDHN CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC[C@H](Cc2ccccc2)N(C)C)CC1 ZINC000069231002 968821300 /nfs/dbraw/zinc/82/13/00/968821300.db2.gz XZESXOUHTIKSMG-NRFANRHFSA-N 0 3 424.545 3.734 20 5 HHBDHN COc1ccc([C@H](CNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])N2CCCC2)cc1 ZINC000071817779 968864431 /nfs/dbraw/zinc/86/44/31/968864431.db2.gz RTZLASGJKZGYFZ-QFIPXVFZSA-N 0 3 424.501 3.745 20 5 HHBDHN CC1CCN([C@H](CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)c2ccccc2)CC1 ZINC000072006980 968929809 /nfs/dbraw/zinc/92/98/09/968929809.db2.gz DQFPSGQGIXZUSG-HXUWFJFHSA-N 0 3 407.474 3.674 20 5 HHBDHN Cc1ccc([C@H](CNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)N2CCCC2)cc1 ZINC000109505010 969525758 /nfs/dbraw/zinc/52/57/58/969525758.db2.gz RHRBQEOYEPKLSL-QFIPXVFZSA-N 0 3 419.485 3.656 20 5 HHBDHN Cc1ccc([C@@H](CNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)N2CCCC2)cc1 ZINC000109505008 969526103 /nfs/dbraw/zinc/52/61/03/969526103.db2.gz RHRBQEOYEPKLSL-JOCHJYFZSA-N 0 3 419.485 3.656 20 5 HHBDHN CCN1CCN(c2ccc(F)cc2[C@H](C)NCc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000236984985 970200883 /nfs/dbraw/zinc/20/08/83/970200883.db2.gz YYQGGSPROIWZFI-INIZCTEOSA-N 0 3 416.497 3.735 20 5 HHBDHN COc1cc(CN[C@@H]2CCC[C@]2(C)CO)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000237195427 970239614 /nfs/dbraw/zinc/23/96/14/970239614.db2.gz YNHGUIFPGQFWFN-FGZHOGPDSA-N 0 3 400.475 3.823 20 5 HHBDHN CSC[C@@](C)(O)CNCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000237362868 970270280 /nfs/dbraw/zinc/27/02/80/970270280.db2.gz HQPUWQQRNQFLKU-INIZCTEOSA-N 0 3 415.309 3.821 20 5 HHBDHN O=C1[C@H](NC/C=C/c2ccccc2[N+](=O)[O-])CCCN1c1ccc(OC(F)F)cc1 ZINC000237893637 970390550 /nfs/dbraw/zinc/39/05/50/970390550.db2.gz PGJANIVWRHKFEJ-HNSSHINMSA-N 0 3 417.412 3.995 20 5 HHBDHN O=C1[C@@H](NC/C=C/c2ccccc2[N+](=O)[O-])CCCN1c1ccc(OC(F)F)cc1 ZINC000237894888 970390820 /nfs/dbraw/zinc/39/08/20/970390820.db2.gz PGJANIVWRHKFEJ-PXPSOEEZSA-N 0 3 417.412 3.995 20 5 HHBDHN O=[N+]([O-])c1cc(CNC[C@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)cs1 ZINC000237903341 970391795 /nfs/dbraw/zinc/39/17/95/970391795.db2.gz WRTHXFMDZZBVTR-MRXNPFEDSA-N 0 3 415.437 3.838 20 5 HHBDHN C[C@@H](CNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)N1CCc2ccccc2C1 ZINC000301109345 970753106 /nfs/dbraw/zinc/75/31/06/970753106.db2.gz NJFOUUDJBYJLGQ-KRWDZBQOSA-N 0 3 408.502 3.690 20 5 HHBDHN C[C@@H]1CN(CCC2CCN(C(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)CC2)C[C@@H](C)O1 ZINC000426653333 974584527 /nfs/dbraw/zinc/58/45/27/974584527.db2.gz AOXQBHYECKTGAE-QZTJIDSGSA-N 0 3 417.550 3.610 20 5 HHBDHN CSc1ccc(C(=O)N2CCC(CCN3C[C@@H](C)O[C@@H](C)C3)CC2)cc1[N+](=O)[O-] ZINC000427296271 975033219 /nfs/dbraw/zinc/03/32/19/975033219.db2.gz NLFAOPRNRQJDEP-IYBDPMFKSA-N 0 3 421.563 3.668 20 5 HHBDHN C[C@@H]1CN(CCC2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3Cl)CC2)C[C@@H](C)O1 ZINC000427297929 975033699 /nfs/dbraw/zinc/03/36/99/975033699.db2.gz XZEHWAAEOJKOHZ-HZPDHXFCSA-N 0 3 423.941 3.529 20 5 HHBDHN CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN[C@H]2Cc3cccc(O)c3C2)cc1OC ZINC000429295096 976575065 /nfs/dbraw/zinc/57/50/65/976575065.db2.gz AICBDKRFZJFNHD-PBHICJAKSA-N 0 3 400.475 3.991 20 5 HHBDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000431472429 978319402 /nfs/dbraw/zinc/31/94/02/978319402.db2.gz PZKAHJJMAJBSGK-DYVFJYSZSA-N 0 3 418.291 3.923 20 5 HHBDHN CCN1CCC[C@@H](CN(C)c2ccnc3c2cccc3[N+](=O)[O-])[C@@H]1c1cnn(C)c1 ZINC000432132424 978689518 /nfs/dbraw/zinc/68/95/18/978689518.db2.gz CFDXWFLHQBINHC-KSFYIVLOSA-N 0 3 408.506 3.786 20 5 HHBDHN Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000434319666 980083125 /nfs/dbraw/zinc/08/31/25/980083125.db2.gz YSJHOMKYFPRAOQ-LJQANCHMSA-N 0 3 423.448 3.938 20 5 HHBDHN Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000434322959 980086763 /nfs/dbraw/zinc/08/67/63/980086763.db2.gz YGMVFZDPYYRJAK-SFHVURJKSA-N 0 3 420.473 3.502 20 5 HHBDHN O=C(Cc1ccc([N+](=O)[O-])cc1F)Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000435369069 980817729 /nfs/dbraw/zinc/81/77/29/980817729.db2.gz KERZNDAWJHSJRG-LJQANCHMSA-N 0 3 423.448 3.559 20 5 HHBDHN O=C(NCCc1ccccc1[N+](=O)[O-])[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000460511783 982300244 /nfs/dbraw/zinc/30/02/44/982300244.db2.gz YHNLTZZHAAMJGO-FQEVSTJZSA-N 0 3 421.419 3.708 20 5 HHBDHN Cc1cccc(N2CCN(CCCCNC(=O)c3cc(C)ccc3[N+](=O)[O-])CC2)c1 ZINC000460717138 982473421 /nfs/dbraw/zinc/47/34/21/982473421.db2.gz PDXZXGDJZQJUQZ-UHFFFAOYSA-N 0 3 410.518 3.544 20 5 HHBDHN C[C@H]1C[C@@H](NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CN1Cc1ccccc1 ZINC000437976348 982501922 /nfs/dbraw/zinc/50/19/22/982501922.db2.gz HSPYVUJOUNFONS-FXAWDEMLSA-N 0 3 408.502 3.932 20 5 HHBDHN COc1cc([N+](=O)[O-])c(C(=O)N(CCN(C)C)Cc2cccs2)cc1SC ZINC000438535635 982873457 /nfs/dbraw/zinc/87/34/57/982873457.db2.gz NIBLTAQPCFGKKY-UHFFFAOYSA-N 0 3 409.533 3.591 20 5 HHBDHN CC(C)C1CCC(N2CCN([C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)CC2)CC1 ZINC000438555981 982897125 /nfs/dbraw/zinc/89/71/25/982897125.db2.gz ULQIUQFCKBFFMU-OBFZPWGMSA-N 0 3 414.550 3.533 20 5 HHBDHN C[C@@H](Nc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])[C@@H](c1ccccc1)N(C)C ZINC000439126891 983263093 /nfs/dbraw/zinc/26/30/93/983263093.db2.gz GEZSIVGTZWUXTL-QRWLVFNGSA-N 0 3 407.474 3.663 20 5 HHBDHN C[C@@H](Nc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])[C@H](c1ccccc1)N(C)C ZINC000439126889 983263255 /nfs/dbraw/zinc/26/32/55/983263255.db2.gz GEZSIVGTZWUXTL-FOIQADDNSA-N 0 3 407.474 3.663 20 5 HHBDHN O=C(NC1CCN(CCOc2ccc(F)cc2)CC1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000443352865 985515979 /nfs/dbraw/zinc/51/59/79/985515979.db2.gz QKMAJFYWVZSDQV-UHFFFAOYSA-N 0 3 421.856 3.661 20 5 HHBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000462777657 985713602 /nfs/dbraw/zinc/71/36/02/985713602.db2.gz NQZBCHGICMUVSK-IEBWSBKVSA-N 0 3 410.518 3.900 20 5 HHBDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000462806204 985737836 /nfs/dbraw/zinc/73/78/36/985737836.db2.gz GDHNWEWWKBNVCZ-CZUORRHYSA-N 0 3 407.392 3.864 20 5 HHBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000462984600 985932591 /nfs/dbraw/zinc/93/25/91/985932591.db2.gz BUENKAYVGSNHBO-DBXWQHBBSA-N 0 3 417.550 3.511 20 5 HHBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@H]1CC(=O)c1cccs1 ZINC000468290464 985987909 /nfs/dbraw/zinc/98/79/09/985987909.db2.gz ODIAEHKOLULWEE-AWEZNQCLSA-N 0 3 417.487 3.731 20 5 HHBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000443954910 986163010 /nfs/dbraw/zinc/16/30/10/986163010.db2.gz DJJKLDACNRUZDX-HZPDHXFCSA-N 0 3 404.511 3.565 20 5 HHBDHN O=C(N[C@@H]1CCN(CC2CCCC2)C1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444152636 986335823 /nfs/dbraw/zinc/33/58/23/986335823.db2.gz OBRFYOWKCOWKNS-MRXNPFEDSA-N 0 3 407.489 3.815 20 5 HHBDHN C[C@H](CN1CCCCCC1)NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000444334940 986513144 /nfs/dbraw/zinc/51/31/44/986513144.db2.gz JFCLLDFJGPRELA-CQSZACIVSA-N 0 3 413.468 3.954 20 5 HHBDHN CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000469502810 987180263 /nfs/dbraw/zinc/18/02/63/987180263.db2.gz DGHPJDRIATXDTG-JOCHJYFZSA-N 0 3 408.502 3.891 20 5 HHBDHN CCS[C@H]1CCCC[C@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000469788109 987433151 /nfs/dbraw/zinc/43/31/51/987433151.db2.gz AAIBPZWFFVKREX-CABCVRRESA-N 0 3 416.341 3.950 20 5 HHBDHN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CCCN(CCCc2ccccc2)CC1 ZINC000470116704 988018095 /nfs/dbraw/zinc/01/80/95/988018095.db2.gz HISVTIHUOSLJBP-UHFFFAOYSA-N 0 3 400.454 3.906 20 5 HHBDHN CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000470593788 988608757 /nfs/dbraw/zinc/60/87/57/988608757.db2.gz DOFWLAGPYDNIRZ-NRFANRHFSA-N 0 3 422.485 3.735 20 5 HHBDHN CN(c1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])[C@H]1CCCN(Cc2ccccc2)C1 ZINC000470870895 988940332 /nfs/dbraw/zinc/94/03/32/988940332.db2.gz GEGKMPUHROWIDT-FQEVSTJZSA-N 0 3 408.502 3.588 20 5 HHBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000470898768 988972928 /nfs/dbraw/zinc/97/29/28/988972928.db2.gz UIQVMOCTKOBDPY-UHFFFAOYSA-N 0 3 415.515 3.837 20 5 HHBDHN Cc1[nH]c2ccccc2c1C1=CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000471163062 989282274 /nfs/dbraw/zinc/28/22/74/989282274.db2.gz YBGREPYGGCSDIX-LJQANCHMSA-N 0 3 407.470 3.914 20 5 HHBDHN C[C@@](CO)(NCC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)C1CCCCC1 ZINC000471245994 989392952 /nfs/dbraw/zinc/39/29/52/989392952.db2.gz WXDOMYBKAVWYEB-FQEVSTJZSA-N 0 3 418.519 3.578 20 5 HHBDHN C[C@@H]1C[C@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])CN1Cc1ccccc1 ZINC000467687991 992944473 /nfs/dbraw/zinc/94/44/73/992944473.db2.gz KEAIPDJNDWIVRO-CJNGLKHVSA-N 0 3 418.291 3.750 20 5 HHBDHN C[C@@H]1C[C@@H](NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CN1Cc1ccccc1 ZINC000467691105 992946981 /nfs/dbraw/zinc/94/69/81/992946981.db2.gz LXGKCMPGTWJEAG-WIYYLYMNSA-N 0 3 422.529 3.590 20 5 HHBDHN Cc1csc(Sc2ccc(C(=O)N[C@@H]3CN(C4CC4)C[C@@H]3C)cc2[N+](=O)[O-])n1 ZINC000467719689 992973277 /nfs/dbraw/zinc/97/32/77/992973277.db2.gz DTIGAXJDSDIWRC-XHDPSFHLSA-N 0 3 418.544 3.723 20 5 HHBDHN CN(CCN(C)C1CC1)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000473081569 993996854 /nfs/dbraw/zinc/99/68/54/993996854.db2.gz RMQNNHNCKVEFRB-HXUWFJFHSA-N 0 3 416.909 3.954 20 5 HHBDHN Cc1ccc(C(=O)CCN2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)cc1 ZINC000481181010 994011396 /nfs/dbraw/zinc/01/13/96/994011396.db2.gz YGTONRBTVHZONH-UHFFFAOYSA-N 0 3 407.474 3.565 20 5 HHBDHN C[C@@H](Cc1ccccc1C(F)(F)F)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000481997409 994898622 /nfs/dbraw/zinc/89/86/22/994898622.db2.gz FBUIESNHEPHWNU-ZDUSSCGKSA-N 0 3 416.421 3.608 20 5 HHBDHN COc1cc(CN[C@@H]2CCN(c3ccc(Cl)cc3Cl)C2)c([N+](=O)[O-])cc1O ZINC000473993520 994982562 /nfs/dbraw/zinc/98/25/62/994982562.db2.gz IJTMZMGQJYVEON-CYBMUJFWSA-N 0 3 412.273 3.984 20 5 HHBDHN COC(=O)COc1ccc(CN[C@H]2c3cccc(F)c3CC[C@H]2C)cc1[N+](=O)[O-] ZINC000474351628 995331098 /nfs/dbraw/zinc/33/10/98/995331098.db2.gz LVNKXFKQIBWNGL-LRTDBIEQSA-N 0 3 402.422 3.699 20 5 HHBDHN COC(=O)COc1ccc(CNCc2cc(C)cc3c(C)c(C)[nH]c32)cc1[N+](=O)[O-] ZINC000474355851 995336162 /nfs/dbraw/zinc/33/61/62/995336162.db2.gz QQHFIRVRDSOQJF-UHFFFAOYSA-N 0 3 411.458 3.843 20 5 HHBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H](C)c1ccc(Br)cn1 ZINC000475511278 996191628 /nfs/dbraw/zinc/19/16/28/996191628.db2.gz SZCYTDVXBMIWSA-VXGBXAGGSA-N 0 3 407.268 3.820 20 5 HHBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H](C)c1ccc(Br)cn1 ZINC000475511627 996191800 /nfs/dbraw/zinc/19/18/00/996191800.db2.gz VOIGZMXXTQDMEB-VXGBXAGGSA-N 0 3 407.268 3.820 20 5 HHBDHN CC[C@H](C)N[C@H](CNC(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1C)c1ccco1 ZINC000483548324 996244111 /nfs/dbraw/zinc/24/41/11/996244111.db2.gz KQRGEDAOWVNYHW-BLLLJJGKSA-N 0 3 418.450 3.534 20 5 HHBDHN COc1ccc(NC(=O)CCN2CC[C@H](C(F)(F)F)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000484347911 996719570 /nfs/dbraw/zinc/71/95/70/996719570.db2.gz HQNNDCGZOYHFMP-HNNXBMFYSA-N 0 3 403.401 3.842 20 5 HHBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1CCCC[C@@H]1Oc1cccc(C)c1 ZINC000484640536 996974898 /nfs/dbraw/zinc/97/48/98/996974898.db2.gz HHDJEKSMJRRAJF-QUCCMNQESA-N 0 3 413.474 3.830 20 5 HHBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)[C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000477074803 997726065 /nfs/dbraw/zinc/72/60/65/997726065.db2.gz LPQLFQNECUZKDH-WQIZZMQYSA-N 0 3 403.504 3.662 20 5 HHBDHN C[C@H]1CCN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CCN1Cc1ccccc1 ZINC000486549442 998820637 /nfs/dbraw/zinc/82/06/37/998820637.db2.gz NTSARVGTDDGARQ-HNNXBMFYSA-N 0 3 403.429 3.539 20 5 HHBDHN CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C[C@H]1N(C)C ZINC000478448010 998964598 /nfs/dbraw/zinc/96/45/98/998964598.db2.gz IPCOGNYGDZUCPB-IEBWSBKVSA-N 0 3 401.488 3.505 20 5 HHBDHN CC(C)N1CCN(c2cccc(NC(=O)Cc3c(F)cc([N+](=O)[O-])cc3F)c2)CC1 ZINC000486881116 998989843 /nfs/dbraw/zinc/98/98/43/998989843.db2.gz DFYDJTQETMEPIJ-UHFFFAOYSA-N 0 3 418.444 3.585 20 5 HHBDHN CN(C)C[C@H](NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000488896970 999639830 /nfs/dbraw/zinc/63/98/30/999639830.db2.gz KCAABMMKKMHPCR-INIZCTEOSA-N 0 3 409.845 3.575 20 5 HHBDHN O=[N+]([O-])c1ccn(C2CCN(C[C@H](O)COc3ccc(-c4ccccc4)cc3)CC2)n1 ZINC000489016087 999672581 /nfs/dbraw/zinc/67/25/81/999672581.db2.gz CMHYJALBQBFHRR-NRFANRHFSA-N 0 3 422.485 3.535 20 5 HHBDHN CCC[C@H](NCc1ccc(C(=O)N2CCN(C)CC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000480630706 999845546 /nfs/dbraw/zinc/84/55/46/999845546.db2.gz NFHHRXHGKBOQJH-QFIPXVFZSA-N 0 3 410.518 3.613 20 5 HHBDHN CCNc1ccc(C(=O)Nc2ccc(CCN3CCSCC3)cc2)cc1[N+](=O)[O-] ZINC000490149074 999900413 /nfs/dbraw/zinc/90/04/13/999900413.db2.gz HLWLTWPTEVTGTK-UHFFFAOYSA-N 0 3 414.531 3.870 20 5 HHBDHN CS(=O)(=O)c1cccc([C@@H](NCCc2ccc([N+](=O)[O-])cc2)c2ccccc2)c1 ZINC000491028258 1000036160 /nfs/dbraw/zinc/03/61/60/1000036160.db2.gz DFTAZSLJJXUXSX-QFIPXVFZSA-N 0 3 410.495 3.920 20 5 HHBDHN Cc1csc(Sc2ccc(C(=O)N3CC[C@H]4CCN(C)C[C@H]43)cc2[N+](=O)[O-])n1 ZINC000493343310 1000169623 /nfs/dbraw/zinc/16/96/23/1000169623.db2.gz FFHHTVNHOXHOEU-CZUORRHYSA-N 0 3 418.544 3.677 20 5 HHBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])N[C@@H](Cc1ccccc1)C(=O)N(C)C ZINC000504920694 1000449494 /nfs/dbraw/zinc/44/94/94/1000449494.db2.gz PNXSCUSZRCBPDO-ROUUACIJSA-N 0 3 401.532 3.755 20 5 HHBDHN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)[C@@H](c1ccccc1)N(C)C ZINC000505604001 1000929450 /nfs/dbraw/zinc/92/94/50/1000929450.db2.gz DQKRZKKRWAFSCO-SJCJKPOMSA-N 0 3 406.280 3.779 20 5 HHBDHN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000495408974 1001002370 /nfs/dbraw/zinc/00/23/70/1001002370.db2.gz VFRLCRBQNZAMJG-IAGOWNOFSA-N 0 3 423.579 3.962 20 5 HHBDHN CCN1CCN(c2ccc(NC(=O)CSc3ccccc3[N+](=O)[O-])c(C)c2)CC1 ZINC000497313154 1001289336 /nfs/dbraw/zinc/28/93/36/1001289336.db2.gz MLPLOPAKAJESME-UHFFFAOYSA-N 0 3 414.531 3.776 20 5 HHBDHN COc1cc(CN2CCN(C3CCCC3)CC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000506341338 1001365800 /nfs/dbraw/zinc/36/58/00/1001365800.db2.gz JWQIECYXBLMPFP-UHFFFAOYSA-N 0 3 417.428 3.605 20 5 HHBDHN CCN1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])c4cccnc34)c(C)c2)CC1 ZINC000497779946 1001512193 /nfs/dbraw/zinc/51/21/93/1001512193.db2.gz MQBAUNDQXHHCOR-UHFFFAOYSA-N 0 3 419.485 3.846 20 5 HHBDHN CCNc1ccc(C(=O)N(CCN(C)C)Cc2ccc(F)cc2F)cc1[N+](=O)[O-] ZINC000497877612 1001547116 /nfs/dbraw/zinc/54/71/16/1001547116.db2.gz XIYHQPVLMUVNNA-UHFFFAOYSA-N 0 3 406.433 3.509 20 5 HHBDHN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])NC[C@H](c1cccs1)N1CCCC1 ZINC000498110829 1001645057 /nfs/dbraw/zinc/64/50/57/1001645057.db2.gz FFAXQXIRFMKIDR-QGZVFWFLSA-N 0 3 422.938 3.989 20 5 HHBDHN CN(c1ccccc1)c1ccc(CNCCC(=O)NCc2cccnc2)cc1[N+](=O)[O-] ZINC000507904165 1002438162 /nfs/dbraw/zinc/43/81/62/1002438162.db2.gz OVEVVMUIEVMPBW-UHFFFAOYSA-N 0 3 419.485 3.554 20 5 HHBDHN O=C(COc1ccccc1)N1CC[C@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000509430829 1003856957 /nfs/dbraw/zinc/85/69/57/1003856957.db2.gz NEJXPFFYWHOMPV-SFHVURJKSA-N 0 3 421.453 3.624 20 5 HHBDHN O=C(CCN[C@H]1CCOc2c(Br)cccc21)Nc1ccccc1[N+](=O)[O-] ZINC000501550018 1004508186 /nfs/dbraw/zinc/50/81/86/1004508186.db2.gz JIRFPUWQTZLUJJ-AWEZNQCLSA-N 0 3 420.263 3.799 20 5 HHBDHN O=C(CCN[C@@H]1CCOc2c(Br)cccc21)Nc1ccccc1[N+](=O)[O-] ZINC000501550019 1004508448 /nfs/dbraw/zinc/50/84/48/1004508448.db2.gz JIRFPUWQTZLUJJ-CQSZACIVSA-N 0 3 420.263 3.799 20 5 HHBDHN CN(c1ccccc1)c1ccc(CNCCNC(=O)c2cccs2)cc1[N+](=O)[O-] ZINC000512827644 1004585956 /nfs/dbraw/zinc/58/59/56/1004585956.db2.gz LRNVFLZLCJKPEM-UHFFFAOYSA-N 0 3 410.499 3.944 20 5 HHBDHN O=[N+]([O-])c1ccccc1-c1ccc(CNC[C@@H](N2CCOCC2)C(F)(F)F)s1 ZINC000512977813 1004741507 /nfs/dbraw/zinc/74/15/07/1004741507.db2.gz SICOASKKBWXUFW-QGZVFWFLSA-N 0 3 415.437 3.676 20 5 HHBDHN O=[N+]([O-])c1ccn(CCN2CCC[C@H](Cc3nc(C4CCCCCC4)no3)C2)n1 ZINC000510806031 1004864465 /nfs/dbraw/zinc/86/44/65/1004864465.db2.gz FKTYFZRWKAQIRT-MRXNPFEDSA-N 0 3 402.499 3.567 20 5 HHBDHN CCN(CC)[C@@H](CNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1)c1ccsc1 ZINC000510862866 1004897928 /nfs/dbraw/zinc/89/79/28/1004897928.db2.gz XCLQVOSYPWGJEE-IBGZPJMESA-N 0 3 404.536 3.923 20 5 HHBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000511801284 1005335094 /nfs/dbraw/zinc/33/50/94/1005335094.db2.gz GRWSJTPLRNKVDQ-XZOQPEGZSA-N 0 3 416.481 3.696 20 5 HHBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000514576728 1006044169 /nfs/dbraw/zinc/04/41/69/1006044169.db2.gz KHTNNZSLYVWJSU-NRFANRHFSA-N 0 3 411.502 3.806 20 5 HHBDHN COc1cc(C[NH2+]C[C@@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)c([N+](=O)[O-])cc1[O-] ZINC000534239800 1006245422 /nfs/dbraw/zinc/24/54/22/1006245422.db2.gz GMBZOLYLUSMDDK-RBZFPXEDSA-N 0 3 423.872 3.884 20 5 HHBDHN C[C@H]1CN([C@H](CNCc2ccc([N+](=O)[O-])cc2)c2c(F)cccc2Cl)CCO1 ZINC000538332246 1006599553 /nfs/dbraw/zinc/59/95/53/1006599553.db2.gz FAOKDERBVXZNLF-IFXJQAMLSA-N 0 3 407.873 3.939 20 5 HHBDHN COc1cc(CN[C@@H]2CCc3c[nH]nc3C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000532328802 1006796218 /nfs/dbraw/zinc/79/62/18/1006796218.db2.gz NDHQDLCLTBBBNZ-GOSISDBHSA-N 0 3 408.458 3.553 20 5 HHBDHN C[C@@H](CCNCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)[S@@](C)=O ZINC000532468277 1006907217 /nfs/dbraw/zinc/90/72/17/1006907217.db2.gz LUCXBAVDCQHMJC-APXPCNQMSA-N 0 3 415.309 3.864 20 5 HHBDHN CCO[C@@H]1C[C@@H](O)C12CCN(Cc1ccc(-c3ccc(OC)cc3[N+](=O)[O-])o1)CC2 ZINC000538737272 1007019485 /nfs/dbraw/zinc/01/94/85/1007019485.db2.gz SPIXWJWXSQMFIA-NHCUHLMSSA-N 0 3 416.474 3.615 20 5 HHBDHN CCN1CCN(c2ccccc2NCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000538826230 1007099182 /nfs/dbraw/zinc/09/91/82/1007099182.db2.gz XWNMWEQLWVMORJ-UHFFFAOYSA-N 0 3 420.517 3.749 20 5 HHBDHN O=C(CCN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)Nc1cc(Cl)ccc1Cl ZINC000532704990 1007119178 /nfs/dbraw/zinc/11/91/78/1007119178.db2.gz ZLTYVYICAATWKC-ZDUSSCGKSA-N 0 3 424.288 3.812 20 5 HHBDHN O=[N+]([O-])c1cnn(CCNCc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)c1 ZINC000532866803 1007254030 /nfs/dbraw/zinc/25/40/30/1007254030.db2.gz UQZKZWAPFNYHQD-UHFFFAOYSA-N 0 3 406.421 3.573 20 5 HHBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])N[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000539050940 1007348538 /nfs/dbraw/zinc/34/85/38/1007348538.db2.gz UKNHQWGEICJBBM-STQMWFEESA-N 0 3 405.442 3.608 20 5 HHBDHN COc1cccc([C@H](CNC(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])N2CCCC2)c1 ZINC000539297193 1007594846 /nfs/dbraw/zinc/59/48/46/1007594846.db2.gz HNXQMSGHYPQHJY-IERDGZPVSA-N 0 3 412.490 3.801 20 5 HHBDHN CCOc1ccc([C@@H](C)N[C@@H](CN2CCN(C)CC2)c2ccccc2)cc1[N+](=O)[O-] ZINC000535777533 1007787207 /nfs/dbraw/zinc/78/72/07/1007787207.db2.gz GLUPBZKJSATFCN-NQIIRXRSSA-N 0 3 412.534 3.633 20 5 HHBDHN CN(c1ccc([N+](=O)[O-])c(OC(F)F)c1)C1CCN(CCc2ccccn2)CC1 ZINC000539969975 1008213464 /nfs/dbraw/zinc/21/34/64/1008213464.db2.gz FXKPMZKTPKSFGN-UHFFFAOYSA-N 0 3 406.433 3.735 20 5 HHBDHN COc1ccc(CSCC(=O)Nc2cc(C)cc(CN(C)C)c2)cc1[N+](=O)[O-] ZINC000533968044 1008239593 /nfs/dbraw/zinc/23/95/93/1008239593.db2.gz YPAHZYRBBNEFRF-UHFFFAOYSA-N 0 3 403.504 3.845 20 5 HHBDHN CN(C)CCN(Cc1ccc(Br)cc1)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000518289126 1008241022 /nfs/dbraw/zinc/24/10/22/1008241022.db2.gz WMOSEOLPHVHRGN-UHFFFAOYSA-N 0 3 424.270 3.700 20 5 HHBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000540047886 1008257394 /nfs/dbraw/zinc/25/73/94/1008257394.db2.gz PEGJFFQZAUTSKK-UHFFFAOYSA-N 0 3 423.469 3.792 20 5 HHBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCC(C)(C)N[C@H](C)c2ccccc2)cc1C ZINC000518318390 1008258584 /nfs/dbraw/zinc/25/85/84/1008258584.db2.gz UPHXAFRCZZABDE-MRXNPFEDSA-N 0 3 405.520 3.619 20 5 HHBDHN C[C@H]1CCCN(c2ccc(C(=O)N3CC[C@H](N4CCCCC4)C3)cc2[N+](=O)[O-])C1 ZINC000518620655 1008367869 /nfs/dbraw/zinc/36/78/69/1008367869.db2.gz VVCSOWKXGWFGDC-HKUYNNGSSA-N 0 3 400.523 3.532 20 5 HHBDHN C[C@@H]1CN([C@H](CNCc2cccc([N+](=O)[O-])c2)c2c(F)cccc2Cl)CCO1 ZINC000518765658 1008416509 /nfs/dbraw/zinc/41/65/09/1008416509.db2.gz VFYLHJFZZVNSJG-AUUYWEPGSA-N 0 3 407.873 3.939 20 5 HHBDHN COc1cccc([C@H]2[C@@H](NCc3cc(OC)c(F)cc3[N+](=O)[O-])CCN2C2CC2)c1 ZINC000549471429 1009066261 /nfs/dbraw/zinc/06/62/61/1009066261.db2.gz JDOJNEYHTHOEPB-UGKGYDQZSA-N 0 3 415.465 3.819 20 5 HHBDHN COc1cc(CN2CCC(C)(CO)CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000546578001 1009601426 /nfs/dbraw/zinc/60/14/26/1009601426.db2.gz YWQOXVYCYQUFNI-UHFFFAOYSA-N 0 3 400.475 3.777 20 5 HHBDHN CCN(C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000546889107 1009849575 /nfs/dbraw/zinc/84/95/75/1009849575.db2.gz PPDZFFBZJYPTDS-QGZVFWFLSA-N 0 3 419.428 3.933 20 5 HHBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])N[C@H]1CCCc2cn(CCOC)nc21 ZINC000546934928 1009894242 /nfs/dbraw/zinc/89/42/42/1009894242.db2.gz FELUNFOFLUQEDI-IRXDYDNUSA-N 0 3 404.536 3.976 20 5 HHBDHN COc1cc(CN2CCC3(CCOCC3)[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000521319496 1010301857 /nfs/dbraw/zinc/30/18/57/1010301857.db2.gz XIZCPIXNNPYEGZ-ZDUSSCGKSA-N 0 3 418.412 3.936 20 5 HHBDHN CS[C@@H]1CN(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)C[C@@H]1N(C)C ZINC000544790411 1010386141 /nfs/dbraw/zinc/38/61/41/1010386141.db2.gz IZBSFWFODZNNAX-RBUKOAKNSA-N 0 3 416.503 3.896 20 5 HHBDHN CCc1nncn1CCNCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000547789743 1010428016 /nfs/dbraw/zinc/42/80/16/1010428016.db2.gz JYDKVUVNIPNUPA-UHFFFAOYSA-N 0 3 401.854 3.984 20 5 HHBDHN CN1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H]1Cc1ccccc1 ZINC000551401441 1010562645 /nfs/dbraw/zinc/56/26/45/1010562645.db2.gz FYVYYRVIPBWDMH-NRFANRHFSA-N 0 3 406.486 3.651 20 5 HHBDHN Cc1noc(C)c1CO[C@H]1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000545170507 1010667542 /nfs/dbraw/zinc/66/75/42/1010667542.db2.gz JMKPPRRPYGLXRZ-SFHVURJKSA-N 0 3 412.446 3.688 20 5 HHBDHN CN(C(=O)CN[C@H](COc1ccccc1F)C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000540590799 1011247729 /nfs/dbraw/zinc/24/77/29/1011247729.db2.gz TULSENOIPZZIKT-LJQANCHMSA-N 0 3 403.454 3.780 20 5 HHBDHN CN1CCC(N(Cc2ccccc2)C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000536171773 1011303114 /nfs/dbraw/zinc/30/31/14/1011303114.db2.gz RUBIXBIDTJJSSL-UHFFFAOYSA-N 0 3 406.486 3.742 20 5 HHBDHN CN(C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000541027795 1011663752 /nfs/dbraw/zinc/66/37/52/1011663752.db2.gz DEHSIFSREIQKHD-INIZCTEOSA-N 0 3 405.401 3.543 20 5 HHBDHN COc1ccc2c(c1)C[C@@H](C)N(CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)[C@@H]2C ZINC000541059690 1011699280 /nfs/dbraw/zinc/69/92/80/1011699280.db2.gz NLJRPGNHELHLLH-HUUCEWRRSA-N 0 3 413.474 3.948 20 5 HHBDHN COc1ccc2c(c1)C[C@H](C)N(CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)[C@@H]2C ZINC000541059691 1011699885 /nfs/dbraw/zinc/69/98/85/1011699885.db2.gz NLJRPGNHELHLLH-LSDHHAIUSA-N 0 3 413.474 3.948 20 5 HHBDHN COc1cc(CN2CC[C@@H](C3CCOCC3)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000536697163 1011864452 /nfs/dbraw/zinc/86/44/52/1011864452.db2.gz MAXHBPJWTGRLDS-CQSZACIVSA-N 0 3 418.412 3.793 20 5 HHBDHN Cc1ccc([N-]S(=O)(=O)c2ccc(NCC[N@@H+](C)C(C)C)c([N+](=O)[O-])c2)c(C)c1 ZINC000523579360 1012128750 /nfs/dbraw/zinc/12/87/50/1012128750.db2.gz YCBZFQPNWHEFDX-UHFFFAOYSA-N 0 3 420.535 3.765 20 5 HHBDHN Cc1ccc([N-]S(=O)(=O)c2ccc(NCC[N@H+](C)C(C)C)c([N+](=O)[O-])c2)c(C)c1 ZINC000523579360 1012128766 /nfs/dbraw/zinc/12/87/66/1012128766.db2.gz YCBZFQPNWHEFDX-UHFFFAOYSA-N 0 3 420.535 3.765 20 5 HHBDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000537262933 1012713519 /nfs/dbraw/zinc/71/35/19/1012713519.db2.gz JLRNSEZMNQMUBQ-UTKZUKDTSA-N 0 3 416.481 3.907 20 5 HHBDHN COc1ccc(NC(=O)N(CCN(C)C)Cc2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000542035770 1012935472 /nfs/dbraw/zinc/93/54/72/1012935472.db2.gz ROZTWXLMNLTZOC-UHFFFAOYSA-N 0 3 406.870 3.853 20 5 HHBDHN CN1CCN(Cc2ccc(CNc3ccc(Br)cc3[N+](=O)[O-])cc2)CC1 ZINC000524220872 1013029760 /nfs/dbraw/zinc/02/97/60/1013029760.db2.gz HCACNGZPIHSTGM-UHFFFAOYSA-N 0 3 419.323 3.717 20 5 HHBDHN CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000588093943 1072817468 /nfs/dbraw/zinc/81/74/68/1072817468.db2.gz FLDUFWXMNCLUNC-UHFFFAOYSA-N 0 3 410.518 3.616 20 5 HHBDHN CN1CCC(N(C[C@@H](O)CC(C)(C)C)C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000588824627 1073280175 /nfs/dbraw/zinc/28/01/75/1073280175.db2.gz FJCRIBVGTYTVBC-SFHVURJKSA-N 0 3 411.930 3.582 20 5 HHBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCN(c3ccnc4ccccc43)CC2)c1 ZINC000590543936 1073887536 /nfs/dbraw/zinc/88/75/36/1073887536.db2.gz ICUNPMAAPYTCKA-UHFFFAOYSA-N 0 3 420.469 3.569 20 5 HHBDHN O=[N+]([O-])c1ccc2c(c1)ncnc2N1CCC[C@@]2(CCN2Cc2cccc(F)c2)C1 ZINC001164994804 722198540 /nfs/dbraw/zinc/19/85/40/722198540.db2.gz PVCGEIDACBSJPA-JOCHJYFZSA-N 0 3 407.449 3.922 20 5 HHBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N(CCN(C)C)Cc1ccc(Br)cc1 ZINC000303115648 971511183 /nfs/dbraw/zinc/51/11/83/971511183.db2.gz LTKZROGUPVGXBC-UHFFFAOYSA-N 0 3 420.307 3.870 20 5 HHBDHN CSc1ccc([N+](=O)[O-])c(C(=O)NCC2(N3CCSCC3)CCCCC2)c1 ZINC000303457590 971761577 /nfs/dbraw/zinc/76/15/77/971761577.db2.gz MWHKEQOEDZFYOC-UHFFFAOYSA-N 0 3 409.577 3.798 20 5 HHBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000542278500 1013238750 /nfs/dbraw/zinc/23/87/50/1013238750.db2.gz VEVWTOIWOFGXKF-CVEARBPZSA-N 0 3 417.531 3.549 20 5 HHBDHN CCOc1ccc([N+](=O)[O-])cc1CNCCCc1nc(-c2ccc(F)cc2)no1 ZINC000542307962 1013265259 /nfs/dbraw/zinc/26/52/59/1013265259.db2.gz WIMGBCMKEYOQHN-UHFFFAOYSA-N 0 3 400.410 3.905 20 5 HHBDHN CN(C)[C@H](CNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000542336625 1013294995 /nfs/dbraw/zinc/29/49/95/1013294995.db2.gz XZRPGSYMMKFIIK-INIZCTEOSA-N 0 3 407.923 3.629 20 5 HHBDHN CCOc1cc(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)c([N+](=O)[O-])cc1OC ZINC000023740055 963882689 /nfs/dbraw/zinc/88/26/89/963882689.db2.gz CRCARHKRTIDSPH-IBGZPJMESA-N 0 3 413.474 3.569 20 5 HHBDHN CCOc1ccc(C(=O)NC[C@@H](C(C)C)N2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000025917879 964390818 /nfs/dbraw/zinc/39/08/18/964390818.db2.gz SAPSNIACBDZZQK-NRFANRHFSA-N 0 3 411.502 3.806 20 5 HHBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000537952805 1013533706 /nfs/dbraw/zinc/53/37/06/1013533706.db2.gz UBUPFXWBGDYLLJ-SJKOYZFVSA-N 0 3 411.380 3.654 20 5 HHBDHN CC(C)[C@H](CSc1ccccc1)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000542680617 1013601941 /nfs/dbraw/zinc/60/19/41/1013601941.db2.gz CJZYUPUCCYBEQQ-IBGZPJMESA-N 0 3 408.545 3.775 20 5 HHBDHN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](NC[C@H]1CCCOC1)c1ccccc1 ZINC000056205930 966257975 /nfs/dbraw/zinc/25/79/75/966257975.db2.gz QASWZAXYXJVVDT-KUHUBIRLSA-N 0 3 403.866 3.944 20 5 HHBDHN O=C(NC[C@H](c1ccccc1)N1CCCC1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000542869315 1013722538 /nfs/dbraw/zinc/72/25/38/1013722538.db2.gz VLZUCYFVTAOXJC-QGZVFWFLSA-N 0 3 405.401 3.763 20 5 HHBDHN CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CCC[C@@H](c3nnc(C)[nH]3)C2)cc1OC ZINC000542882784 1013731470 /nfs/dbraw/zinc/73/14/70/1013731470.db2.gz HLEWQRRDHPGCIM-GDBMZVCRSA-N 0 3 417.510 3.834 20 5 HHBDHN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000047864694 968346211 /nfs/dbraw/zinc/34/62/11/968346211.db2.gz VPRSNAYDANBJPF-AWEZNQCLSA-N 0 3 406.389 3.592 20 5 HHBDHN CCN(CC)[C@@H](CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)c1ccsc1 ZINC000065866880 968688624 /nfs/dbraw/zinc/68/86/24/968688624.db2.gz LVQBHQZRWQOCRB-IBGZPJMESA-N 0 3 400.504 3.810 20 5 HHBDHN CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000065936326 968724671 /nfs/dbraw/zinc/72/46/71/968724671.db2.gz FPAFZLMNMFEQBW-UHFFFAOYSA-N 0 3 413.371 3.957 20 5 HHBDHN CCN1CCN(c2ccc(NC(=O)c3c[nH]c4ccc([N+](=O)[O-])cc34)c(C)c2)CC1 ZINC000109940361 969598198 /nfs/dbraw/zinc/59/81/98/969598198.db2.gz WIWSGFWZBCSONE-UHFFFAOYSA-N 0 3 407.474 3.779 20 5 HHBDHN CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC/C=C/c2ccccc2[N+](=O)[O-])cc1 ZINC000116415933 969892259 /nfs/dbraw/zinc/89/22/59/969892259.db2.gz WHTJJKMETODPHO-VMSUTVGLSA-N 0 3 417.531 3.989 20 5 HHBDHN CCC(CC)[C@@H](CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCOCC1 ZINC000236676641 970153872 /nfs/dbraw/zinc/15/38/72/970153872.db2.gz SZHHKASFEFPFRC-HXUWFJFHSA-N 0 3 418.563 3.945 20 5 HHBDHN CC(C)NC(=O)[C@@H]1CCC[C@@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000236680124 970153892 /nfs/dbraw/zinc/15/38/92/970153892.db2.gz BIGNJOPOKVHMTR-GDBMZVCRSA-N 0 3 402.520 3.891 20 5 HHBDHN CCc1noc(-c2ccc(CCNCc3cc(OC)c(OC)cc3[N+](=O)[O-])cc2)n1 ZINC000237077460 970218927 /nfs/dbraw/zinc/21/89/27/970218927.db2.gz DYIVUUDLHYEGQE-UHFFFAOYSA-N 0 3 412.446 3.557 20 5 HHBDHN COc1cc(CNCCc2csc(C)n2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000237203894 970240523 /nfs/dbraw/zinc/24/05/23/970240523.db2.gz BTCYIRURDJBPTL-UHFFFAOYSA-N 0 3 405.398 3.642 20 5 HHBDHN C[C@@H]1CN(C(=O)c2ccc(CNC/C=C/c3ccccc3[N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000237657239 970331338 /nfs/dbraw/zinc/33/13/38/970331338.db2.gz RKLNYFYDUDLZHA-JORFTBQQSA-N 0 3 409.486 3.647 20 5 HHBDHN O=C(CCCNCc1cc([N+](=O)[O-])ccc1OC(F)F)N1Cc2ccccc2C1 ZINC000237818804 970374361 /nfs/dbraw/zinc/37/43/61/970374361.db2.gz XIHWFMGZMASKQX-UHFFFAOYSA-N 0 3 405.401 3.608 20 5 HHBDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000310969587 972624902 /nfs/dbraw/zinc/62/49/02/972624902.db2.gz CZTZRIXPRDDMHW-CYBMUJFWSA-N 0 3 406.280 3.608 20 5 HHBDHN CSc1ccc(C(=O)N(CCCc2ccccc2)CCN(C)C)cc1[N+](=O)[O-] ZINC000409668265 973127881 /nfs/dbraw/zinc/12/78/81/973127881.db2.gz XWNVTYLNHOMJHA-UHFFFAOYSA-N 0 3 401.532 3.953 20 5 HHBDHN Cc1nn(Cc2ccc(C)cc2)c(C)c1CN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000425969552 974073723 /nfs/dbraw/zinc/07/37/23/974073723.db2.gz YVGGJDPAVOSTQY-UHFFFAOYSA-N 0 3 408.506 3.798 20 5 HHBDHN C[C@@H]1CN(CCC2CCN(C(=O)c3ccc(Cl)cc3[N+](=O)[O-])CC2)C[C@@H](C)O1 ZINC000427299043 975035434 /nfs/dbraw/zinc/03/54/34/975035434.db2.gz IQISAVMPBMODON-HUUCEWRRSA-N 0 3 409.914 3.600 20 5 HHBDHN C[C@H](c1cccc(N2CCCS2(=O)=O)c1)N(C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000428475151 975773568 /nfs/dbraw/zinc/77/35/68/975773568.db2.gz BMFYASWTLJUVSO-DKISHCGFSA-N 0 3 415.515 3.841 20 5 HHBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@@H](CO)Cc1ccc(Br)cc1 ZINC000428539311 975839665 /nfs/dbraw/zinc/83/96/65/975839665.db2.gz SATYNAUMNSDEMO-HNNXBMFYSA-N 0 3 423.307 3.697 20 5 HHBDHN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])Nc1cccc(CN2CC[C@@H](O)C2)c1 ZINC000428552340 975863263 /nfs/dbraw/zinc/86/32/63/975863263.db2.gz MCQNKSVPJHGMAO-MRXNPFEDSA-N 0 3 421.906 3.546 20 5 HHBDHN CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN[C@@H]2Cc3cccc(O)c3C2)cc1OC ZINC000429295097 976574462 /nfs/dbraw/zinc/57/44/62/976574462.db2.gz AICBDKRFZJFNHD-RHSMWYFYSA-N 0 3 400.475 3.991 20 5 HHBDHN Cc1cc(OCC(=O)Nc2ccc(CCN3CCSCC3)cc2)ccc1[N+](=O)[O-] ZINC000430418587 977533738 /nfs/dbraw/zinc/53/37/38/977533738.db2.gz PDKSSQQCWVNCBL-UHFFFAOYSA-N 0 3 415.515 3.512 20 5 HHBDHN COC[C@H](NCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)[C@H]1CCCO1 ZINC000433199338 979136406 /nfs/dbraw/zinc/13/64/06/979136406.db2.gz LBAUYXBTAMFWRR-FCHUYYIVSA-N 0 3 422.485 3.731 20 5 HHBDHN Cc1cc(NC(=O)c2cc([N+](=O)[O-])cnc2C)n([C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000435267670 980750601 /nfs/dbraw/zinc/75/06/01/980750601.db2.gz NDKMLHSRIXGNDL-SFHVURJKSA-N 0 3 420.473 3.502 20 5 HHBDHN Cc1cc(NC(=O)Cc2ccccc2[N+](=O)[O-])n([C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000435273602 980752525 /nfs/dbraw/zinc/75/25/25/980752525.db2.gz AZPSSJIZUPIPBM-FQEVSTJZSA-N 0 3 419.485 3.728 20 5 HHBDHN C[C@H]1CCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CCN1Cc1ccccc1 ZINC000437468228 982098442 /nfs/dbraw/zinc/09/84/42/982098442.db2.gz CDWJWSJBZHSBHV-INIZCTEOSA-N 0 3 420.469 3.585 20 5 HHBDHN C[C@@H]1CCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CCN1Cc1ccccc1 ZINC000437483130 982110381 /nfs/dbraw/zinc/11/03/81/982110381.db2.gz LDPCMXJHELLHMT-GOSISDBHSA-N 0 3 419.485 3.517 20 5 HHBDHN CN1CCC(N(Cc2ccccc2)C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000438717197 983023189 /nfs/dbraw/zinc/02/31/89/983023189.db2.gz SJOAOYVEBXILBG-UHFFFAOYSA-N 0 3 419.485 3.517 20 5 HHBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000439881581 983567686 /nfs/dbraw/zinc/56/76/86/983567686.db2.gz NDCUPKDCVAFQQJ-JXFKEZNVSA-N 0 3 413.478 3.545 20 5 HHBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(CCN(C)C)Cc1cccc(C)c1 ZINC000439888319 983571359 /nfs/dbraw/zinc/57/13/59/983571359.db2.gz NHWZIZQOLBLHSQ-UHFFFAOYSA-N 0 3 400.479 3.898 20 5 HHBDHN CO[C@H]1CCCC[C@@H]1N[C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000441246897 984136400 /nfs/dbraw/zinc/13/64/00/984136400.db2.gz IQSFECOUAJYKPP-PVUWLOKVSA-N 0 3 404.492 3.593 20 5 HHBDHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000443886058 986086899 /nfs/dbraw/zinc/08/68/99/986086899.db2.gz SJIQOFVVHOMKCZ-UHFFFAOYSA-N 0 3 413.371 3.957 20 5 HHBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000443954912 986162877 /nfs/dbraw/zinc/16/28/77/986162877.db2.gz DJJKLDACNRUZDX-IYBDPMFKSA-N 0 3 404.511 3.565 20 5 HHBDHN O=C(c1cccc2c(=O)c3cccc(F)c3[nH]c12)N1CCCC[C@H](N2CCCC2)C1 ZINC000444008424 986203868 /nfs/dbraw/zinc/20/38/68/986203868.db2.gz IKWWTDMULNNLPN-INIZCTEOSA-N 0 3 407.489 3.911 20 5 HHBDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000463291332 986257975 /nfs/dbraw/zinc/25/79/75/986257975.db2.gz WZECOYJGUXCFME-HTAPYJJXSA-N 0 3 408.502 3.789 20 5 HHBDHN CCOC(=O)c1csc(CCNCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)n1 ZINC000468596902 986306747 /nfs/dbraw/zinc/30/67/47/986306747.db2.gz NHAJIIQQCGEQOM-UHFFFAOYSA-N 0 3 401.444 3.820 20 5 HHBDHN COC[C@@H]1CCCCN(Cc2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000468692999 986406376 /nfs/dbraw/zinc/40/63/76/986406376.db2.gz GYGXDSYNCOBGPJ-CYBMUJFWSA-N 0 3 406.401 3.793 20 5 HHBDHN C[C@@H](CN1CCCCCC1)NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000444334939 986512319 /nfs/dbraw/zinc/51/23/19/986512319.db2.gz JFCLLDFJGPRELA-AWEZNQCLSA-N 0 3 413.468 3.954 20 5 HHBDHN O=C(Nc1cccc(CN2CCC(O)CC2)c1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000444460394 986643030 /nfs/dbraw/zinc/64/30/30/986643030.db2.gz KLXVLZOPKCWLHA-UHFFFAOYSA-N 0 3 423.391 3.823 20 5 HHBDHN O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000444563232 986757411 /nfs/dbraw/zinc/75/74/11/986757411.db2.gz YYYDYDFKIFLBHY-UHFFFAOYSA-N 0 3 415.515 3.530 20 5 HHBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000444901831 987050938 /nfs/dbraw/zinc/05/09/38/987050938.db2.gz LDYUKBXQSWKJCI-UHFFFAOYSA-N 0 3 406.870 3.853 20 5 HHBDHN Cc1cc(NC(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)ccc1[N+](=O)[O-] ZINC000469912922 987543173 /nfs/dbraw/zinc/54/31/73/987543173.db2.gz BQCYXOQMDOYVFK-UHFFFAOYSA-N 0 3 400.401 3.830 20 5 HHBDHN COc1ccc(CNC(=O)N[C@H](CN(C)Cc2ccccc2)C(C)C)cc1[N+](=O)[O-] ZINC000470078014 987976866 /nfs/dbraw/zinc/97/68/66/987976866.db2.gz CXKHPFXHTLVNDY-LJQANCHMSA-N 0 3 414.506 3.559 20 5 HHBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(N2CCN(CC)CC2)cc1C ZINC000470744186 988783576 /nfs/dbraw/zinc/78/35/76/988783576.db2.gz KMVUSIYUHKGQRK-UHFFFAOYSA-N 0 3 412.490 3.696 20 5 HHBDHN Cc1c(NC(=O)[C@@H](C)N2CC[C@H](C)N(Cc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000464832850 989073688 /nfs/dbraw/zinc/07/36/88/989073688.db2.gz DFOHWNWRUJJLMJ-PKOBYXMFSA-N 0 3 410.518 3.827 20 5 HHBDHN C[C@@H]1CCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CCN1Cc1ccccc1 ZINC000464903944 989176747 /nfs/dbraw/zinc/17/67/47/989176747.db2.gz MSISVCBFNOGADK-GOSISDBHSA-N 0 3 406.486 3.673 20 5 HHBDHN COc1ccc(CSCC(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)cc1[N+](=O)[O-] ZINC000471554808 989755215 /nfs/dbraw/zinc/75/52/15/989755215.db2.gz JJHPYHVJHOHJOS-BTYIYWSLSA-N 0 3 417.531 3.644 20 5 HHBDHN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)NC[C@H](c1cccs1)N1CCCC1 ZINC000467561835 992842634 /nfs/dbraw/zinc/84/26/34/992842634.db2.gz GUJAKSQYKVSJAB-MRXNPFEDSA-N 0 3 408.911 3.946 20 5 HHBDHN CC(C)C[C@H]1OCCC[C@H]1NCC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000481762345 994615310 /nfs/dbraw/zinc/61/53/10/994615310.db2.gz SGNQUVLTMPKBAM-SJLPKXTDSA-N 0 3 418.519 3.840 20 5 HHBDHN Cc1cc(NC(=O)N2CCC(CCN3C[C@@H](C)O[C@@H](C)C3)CC2)ccc1[N+](=O)[O-] ZINC000473781276 994704029 /nfs/dbraw/zinc/70/40/29/994704029.db2.gz DNKGLZKPCIMXIH-CALCHBBNSA-N 0 3 404.511 3.646 20 5 HHBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCCCc2c(Cl)cccc2Cl)cc1 ZINC000482231853 995215214 /nfs/dbraw/zinc/21/52/14/995215214.db2.gz OPZICWPCDWKNDX-UHFFFAOYSA-N 0 3 417.314 3.898 20 5 HHBDHN O=C(NCC1(N2CCSCC2)CCCCC1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000482800296 995757553 /nfs/dbraw/zinc/75/75/53/995757553.db2.gz FTZJTMVUUULLQQ-UHFFFAOYSA-N 0 3 403.504 3.823 20 5 HHBDHN CCCN(Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)[C@H]1CCCc2cccnc21 ZINC000475084342 995911142 /nfs/dbraw/zinc/91/11/42/995911142.db2.gz CPXXNZHVJOOTJT-SFHVURJKSA-N 0 3 413.474 3.831 20 5 HHBDHN C[C@@H](N[C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(Br)cn1 ZINC000475511623 996191816 /nfs/dbraw/zinc/19/18/16/996191816.db2.gz VOIGZMXXTQDMEB-NWDGAFQWSA-N 0 3 407.268 3.820 20 5 HHBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000475567591 996223026 /nfs/dbraw/zinc/22/30/26/996223026.db2.gz DGTDUFZBVDBLOV-IRXDYDNUSA-N 0 3 404.511 3.565 20 5 HHBDHN COc1ccccc1-c1nc(C2CCN(CCOc3cccc([N+](=O)[O-])c3)CC2)no1 ZINC000484325325 996704874 /nfs/dbraw/zinc/70/48/74/996704874.db2.gz PKFWLRVPRISCCG-UHFFFAOYSA-N 0 3 424.457 3.912 20 5 HHBDHN COc1ccc(NC(=O)CN[C@@H]2CCCC[C@@H]2Oc2cccc(C)c2)c([N+](=O)[O-])c1 ZINC000484651832 996988576 /nfs/dbraw/zinc/98/85/76/996988576.db2.gz NUIBFGRXNIOCOO-CTNGQTDRSA-N 0 3 413.474 3.830 20 5 HHBDHN COc1ccc(NC(=O)CN[C@@H]2CCCC[C@H]2Oc2ccccc2C)c([N+](=O)[O-])c1 ZINC000484653809 996990632 /nfs/dbraw/zinc/99/06/32/996990632.db2.gz PFKRDXDUDNDGPF-WIYYLYMNSA-N 0 3 413.474 3.830 20 5 HHBDHN COc1cccc(CN(CCN(C)C)C(=O)c2cc(SC)ccc2[N+](=O)[O-])c1 ZINC000486141203 998589737 /nfs/dbraw/zinc/58/97/37/998589737.db2.gz YKFAIINNCAEJAV-UHFFFAOYSA-N 0 3 403.504 3.529 20 5 HHBDHN Cc1ccc(CN(CCN(C)C)C(=O)c2sc(Br)cc2[N+](=O)[O-])o1 ZINC000486305542 998704595 /nfs/dbraw/zinc/70/45/95/998704595.db2.gz SAQOMJKSCHUYHY-UHFFFAOYSA-N 0 3 416.297 3.524 20 5 HHBDHN O=[N+]([O-])c1ccc(CNC[C@@H](CO)Cc2ccc(OC(F)(F)F)cc2)c(F)c1 ZINC000478272859 998856809 /nfs/dbraw/zinc/85/68/09/998856809.db2.gz LREWDOOWWSWXRF-ZDUSSCGKSA-N 0 3 402.344 3.573 20 5 HHBDHN O=[N+]([O-])c1ccc(CNC[C@H](CO)Cc2ccccc2OC(F)(F)F)c(F)c1 ZINC000478276837 998859221 /nfs/dbraw/zinc/85/92/21/998859221.db2.gz OZRAWHYYDAVFAE-GFCCVEGCSA-N 0 3 402.344 3.573 20 5 HHBDHN COc1cccc(C2=CCN(CCC(=O)Nc3ccc([N+](=O)[O-])cc3OC)CC2)c1 ZINC000479885004 999636166 /nfs/dbraw/zinc/63/61/66/999636166.db2.gz KUNWSYQCJQYTFY-UHFFFAOYSA-N 0 3 411.458 3.730 20 5 HHBDHN Cc1c(CNC(=O)N(CCN(C)C)Cc2cccc(Cl)c2)cccc1[N+](=O)[O-] ZINC000480062099 999706104 /nfs/dbraw/zinc/70/61/04/999706104.db2.gz YTNCOAAVZUQZBL-UHFFFAOYSA-N 0 3 404.898 3.830 20 5 HHBDHN CN1CCN(c2cc(CN[C@@H](c3ccccc3)c3cccc([N+](=O)[O-])c3)ccn2)CC1 ZINC000490134740 999898201 /nfs/dbraw/zinc/89/82/01/999898201.db2.gz CQZOTHKLGXWNOL-DEOSSOPVSA-N 0 3 417.513 3.621 20 5 HHBDHN Cc1ccc([C@H](C)NC(=O)N(CCN(C)C)Cc2cccc(F)c2)cc1[N+](=O)[O-] ZINC000493236012 1000164345 /nfs/dbraw/zinc/16/43/45/1000164345.db2.gz ITRHYWTXPSZDGV-INIZCTEOSA-N 0 3 402.470 3.877 20 5 HHBDHN C[C@H]1[C@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000494046870 1000282305 /nfs/dbraw/zinc/28/23/05/1000282305.db2.gz HFDVBWCWQJPRIM-SUMWQHHRSA-N 0 3 418.291 3.750 20 5 HHBDHN CCOc1ccc([C@H](C)N[C@H]2CCN(C(=O)CCc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000504912281 1000443540 /nfs/dbraw/zinc/44/35/40/1000443540.db2.gz TWQPJSBPZMWQEE-PXNSSMCTSA-N 0 3 411.502 3.878 20 5 HHBDHN CCO[C@H]1C[C@@H](NCc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C12CCC2 ZINC000494680250 1000600651 /nfs/dbraw/zinc/60/06/51/1000600651.db2.gz MRLKULAXOCLJOP-SJORKVTESA-N 0 3 400.422 3.685 20 5 HHBDHN CN(C)C[C@@H](NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000497784255 1001513556 /nfs/dbraw/zinc/51/35/56/1001513556.db2.gz SVSWPHUKKGAPGQ-HXUWFJFHSA-N 0 3 402.470 3.659 20 5 HHBDHN CC(C)(CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)N1CCc2ccccc2C1 ZINC000497894634 1001553850 /nfs/dbraw/zinc/55/38/50/1001553850.db2.gz PIXFGEPAFOTCJW-UHFFFAOYSA-N 0 3 404.470 3.710 20 5 HHBDHN COc1cccc([C@@H](CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)N2CCCC2)c1 ZINC000506857823 1001568342 /nfs/dbraw/zinc/56/83/42/1001568342.db2.gz QOJUWMNUSIABHB-OAQYLSRUSA-N 0 3 410.474 3.737 20 5 HHBDHN COc1cc([N+](=O)[O-])c(C(=O)N(CCN(C)C)Cc2ccc(F)cc2)cc1SC ZINC000498123926 1001651424 /nfs/dbraw/zinc/65/14/24/1001651424.db2.gz GHHCTFBOLHBZCO-UHFFFAOYSA-N 0 3 421.494 3.668 20 5 HHBDHN CCCCNC(=O)C1CCN(Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)CC1 ZINC000507021458 1001768104 /nfs/dbraw/zinc/76/81/04/1001768104.db2.gz JNQKNGFNWXMJOW-UHFFFAOYSA-N 0 3 415.490 3.992 20 5 HHBDHN CS(=O)(=O)NCC[C@@H]1CCCCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000507316790 1001996061 /nfs/dbraw/zinc/99/60/61/1001996061.db2.gz HRDFRPZOVAAOCF-INIZCTEOSA-N 0 3 423.560 3.617 20 5 HHBDHN C[C@@H](Nc1ccc(C(=O)NCCN2CCCC[C@H]2C)cc1[N+](=O)[O-])c1ccccn1 ZINC000507369751 1002028102 /nfs/dbraw/zinc/02/81/02/1002028102.db2.gz GAMFEEPOIUTTIX-IAGOWNOFSA-N 0 3 411.506 3.767 20 5 HHBDHN COc1cc(C[NH2+]C2CCN(c3nc4ccccc4s3)CC2)c([N+](=O)[O-])cc1[O-] ZINC000507911625 1002445355 /nfs/dbraw/zinc/44/53/55/1002445355.db2.gz CMIWSBKYEGKWHD-UHFFFAOYSA-N 0 3 414.487 3.677 20 5 HHBDHN Cc1csc(Sc2ccc(C(=O)NCCN3CCC[C@H](C)C3)cc2[N+](=O)[O-])n1 ZINC000499182764 1002572757 /nfs/dbraw/zinc/57/27/57/1002572757.db2.gz BNXNXASSNJQYIY-ZDUSSCGKSA-N 0 3 420.560 3.973 20 5 HHBDHN CCN(C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000500002653 1003324756 /nfs/dbraw/zinc/32/47/56/1003324756.db2.gz IDMDDOFNOBQZND-YJBOKZPZSA-N 0 3 407.474 3.769 20 5 HHBDHN COc1cc(CN(C)CCC(=O)Nc2ccccc2[N+](=O)[O-])c(SC)cc1OC ZINC000500100624 1003463071 /nfs/dbraw/zinc/46/30/71/1003463071.db2.gz YVHQKJAYLVSXQE-UHFFFAOYSA-N 0 3 419.503 3.795 20 5 HHBDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000500147709 1003504736 /nfs/dbraw/zinc/50/47/36/1003504736.db2.gz ITTXNVSWZWZBHV-UGSOOPFHSA-N 0 3 407.392 3.864 20 5 HHBDHN C[C@H](N[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)[C@@H]1CCOC1 ZINC000500214490 1003556668 /nfs/dbraw/zinc/55/66/68/1003556668.db2.gz AEHXWJXINRVNSX-ZBQZNYHESA-N 0 3 403.866 3.943 20 5 HHBDHN CC[C@@H](C)N[C@@H](CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccco1 ZINC000509558483 1003944622 /nfs/dbraw/zinc/94/46/22/1003944622.db2.gz QXEVBFIJUCZERT-QAPCUYQASA-N 0 3 400.479 3.991 20 5 HHBDHN C[C@@H](NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@@H](c1ccccc1)N(C)C ZINC000501247163 1004311201 /nfs/dbraw/zinc/31/12/01/1004311201.db2.gz INKLXLDVXRMHIS-KUHUBIRLSA-N 0 3 404.898 3.781 20 5 HHBDHN COc1cc(CN2CCCCC[C@@H]2C[C@@H](C)O)c([N+](=O)[O-])cc1OCC(F)F ZINC000512485876 1004336992 /nfs/dbraw/zinc/33/69/92/1004336992.db2.gz JGNSPPAZUMQLFB-UKRRQHHQSA-N 0 3 402.438 3.763 20 5 HHBDHN COc1ccccc1[C@@H]1CC[C@H](C)CN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000510193360 1004387966 /nfs/dbraw/zinc/38/79/66/1004387966.db2.gz QECWNQWECBMNFV-SCTDSRPQSA-N 0 3 400.475 3.816 20 5 HHBDHN CC(C)Oc1ccc([C@H](CNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])N(C)C)cc1 ZINC000512807211 1004570691 /nfs/dbraw/zinc/57/06/91/1004570691.db2.gz FASFZULUHKIVPJ-NRFANRHFSA-N 0 3 414.506 3.826 20 5 HHBDHN CCN(CC)[C@H](CNC(=O)c1ccc([N+](=O)[O-])n1C)c1ccc(C(F)(F)F)cc1 ZINC000502528421 1005104198 /nfs/dbraw/zinc/10/41/98/1005104198.db2.gz BRDWWSRJZBEWJM-MRXNPFEDSA-N 0 3 412.412 3.765 20 5 HHBDHN Cc1c(CNC(=O)NC[C@H](c2ccc(OC(C)C)cc2)N(C)C)cccc1[N+](=O)[O-] ZINC000503099674 1005347153 /nfs/dbraw/zinc/34/71/53/1005347153.db2.gz YJNGZDOTMMXGHZ-OAQYLSRUSA-N 0 3 414.506 3.793 20 5 HHBDHN COC(=O)c1ccccc1C(=O)c1ccc(NC[C@H]2CCN(C3CC3)C2)c([N+](=O)[O-])c1 ZINC000514922847 1006206232 /nfs/dbraw/zinc/20/62/32/1006206232.db2.gz CILZGGYMUVCCPL-OAHLLOKOSA-N 0 3 423.469 3.509 20 5 HHBDHN CCN(CC)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cn1)c1ccc(C(F)(F)F)cc1 ZINC000531888822 1006499989 /nfs/dbraw/zinc/49/99/89/1006499989.db2.gz ZAVQQJVFRDPBDR-QGZVFWFLSA-N 0 3 410.396 3.822 20 5 HHBDHN CCN1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000534541459 1006532077 /nfs/dbraw/zinc/53/20/77/1006532077.db2.gz MOXQHIXPEQUXJX-INIZCTEOSA-N 0 3 403.504 3.797 20 5 HHBDHN COc1cccc([C@@H](CNc2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)N(C)C)c1 ZINC000515583026 1006548375 /nfs/dbraw/zinc/54/83/75/1006548375.db2.gz ZTNSYFZBEHDIPF-HXUWFJFHSA-N 0 3 407.474 3.506 20 5 HHBDHN C[C@@H](CCS(C)(=O)=O)NCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000532139478 1006666947 /nfs/dbraw/zinc/66/69/47/1006666947.db2.gz ZRMICHBNPCGMGA-ZDUSSCGKSA-N 0 3 412.895 3.953 20 5 HHBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCCN(Cc3ccccc3)C[C@@H]2C)c1 ZINC000538426692 1006693415 /nfs/dbraw/zinc/69/34/15/1006693415.db2.gz RCQSPQOPXWIJGB-IBGZPJMESA-N 0 3 411.502 3.795 20 5 HHBDHN Cc1ccc(Sc2ccc(CN[C@H](C)CCS(C)(=O)=O)cc2[N+](=O)[O-])cc1 ZINC000532394790 1006842607 /nfs/dbraw/zinc/84/26/07/1006842607.db2.gz SFBPABHNCZAEJV-OAHLLOKOSA-N 0 3 408.545 3.967 20 5 HHBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000532581405 1007015718 /nfs/dbraw/zinc/01/57/18/1007015718.db2.gz MMLFEIZXLNQHLI-KRWDZBQOSA-N 0 3 413.449 3.966 20 5 HHBDHN CCN(CC)[C@H](CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)c1cccc(OC)c1 ZINC000534983424 1007042042 /nfs/dbraw/zinc/04/20/42/1007042042.db2.gz SANQFIDCPIDWNR-HXUWFJFHSA-N 0 3 410.474 3.898 20 5 HHBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCC(OCC2CCCCC2)CC1 ZINC000532969135 1007336730 /nfs/dbraw/zinc/33/67/30/1007336730.db2.gz KPDALJAWRXLHRM-UHFFFAOYSA-N 0 3 417.506 3.954 20 5 HHBDHN COc1cc(C[NH2+][C@H](C)Cc2cc(Br)ccc2F)c([N+](=O)[O-])cc1[O-] ZINC000539104869 1007392594 /nfs/dbraw/zinc/39/25/94/1007392594.db2.gz ZITNZDLGULCENH-SNVBAGLBSA-N 0 3 413.243 3.931 20 5 HHBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@H]1c1cccc2c1OCCO2 ZINC000533263582 1007580222 /nfs/dbraw/zinc/58/02/22/1007580222.db2.gz DXNJEKQBVUGYDY-IBGZPJMESA-N 0 3 411.458 3.840 20 5 HHBDHN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCN(C2CCC(C)CC2)CC1 ZINC000533297815 1007612675 /nfs/dbraw/zinc/61/26/75/1007612675.db2.gz FUNGVXXWUDFVDJ-HWOWSKLDSA-N 0 3 408.930 3.772 20 5 HHBDHN O=C(CN[C@@H](C[C@@H]1CCOC1)c1ccccc1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000539328518 1007628187 /nfs/dbraw/zinc/62/81/87/1007628187.db2.gz UIMAFOIFGCNONF-KSSFIOAISA-N 0 3 403.866 3.944 20 5 HHBDHN Cc1ccc([C@H](C)NC[C@H](O)COc2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000539382669 1007687902 /nfs/dbraw/zinc/68/79/02/1007687902.db2.gz QDOXGPYRDJWTEX-BBRMVZONSA-N 0 3 409.280 3.756 20 5 HHBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCSC[C@@H]1c1ccccc1 ZINC000533435183 1007747770 /nfs/dbraw/zinc/74/77/70/1007747770.db2.gz LZNZBPQPBBBXNK-GOSISDBHSA-N 0 3 401.488 3.722 20 5 HHBDHN C[C@H]1CN(CCNCc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CCO1 ZINC000517547586 1007762635 /nfs/dbraw/zinc/76/26/35/1007762635.db2.gz FCHVUGZWPFOSAC-HNNXBMFYSA-N 0 3 405.882 3.851 20 5 HHBDHN O=C1[C@@H](NC/C=C\c2ccccc2[N+](=O)[O-])CCCN1c1ccc(OC(F)F)cc1 ZINC000539499358 1007811248 /nfs/dbraw/zinc/81/12/48/1007811248.db2.gz PGJANIVWRHKFEJ-CJISVDGZSA-N 0 3 417.412 3.995 20 5 HHBDHN CCN1CCN(c2ccc(NC(=O)N3CCc4c(cccc4[N+](=O)[O-])C3)c(C)c2)CC1 ZINC000536077792 1008104517 /nfs/dbraw/zinc/10/45/17/1008104517.db2.gz FOCSEQFERNERBI-UHFFFAOYSA-N 0 3 423.517 3.635 20 5 HHBDHN COC(=O)C[C@@H]1CCCN1Cc1ccc(OC)c(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000539821566 1008115482 /nfs/dbraw/zinc/11/54/82/1008115482.db2.gz PVPHFIZYONNFPU-IBGZPJMESA-N 0 3 414.458 3.710 20 5 HHBDHN CN(c1ccccc1)c1ccc(CN2CCCC[C@@H]2[C@H]2CNC(=O)C2)cc1[N+](=O)[O-] ZINC000539923769 1008186420 /nfs/dbraw/zinc/18/64/20/1008186420.db2.gz CPZAUJWJXDRKCZ-UYAOXDASSA-N 0 3 408.502 3.853 20 5 HHBDHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000540561242 1008482431 /nfs/dbraw/zinc/48/24/31/1008482431.db2.gz CAMGDKLYCDWTRW-UHFFFAOYSA-N 0 3 422.460 4.000 20 5 HHBDHN COc1ccc([C@H](CNC(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)N2CCCC2)cc1 ZINC000542961893 1008534498 /nfs/dbraw/zinc/53/44/98/1008534498.db2.gz MPJBMGYWPNIGTJ-IBGZPJMESA-N 0 3 414.462 3.571 20 5 HHBDHN C[C@H]1[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CCN1Cc1ccccc1 ZINC000519563413 1008908408 /nfs/dbraw/zinc/90/84/08/1008908408.db2.gz SXEQIPRSGUYYJU-SUMWQHHRSA-N 0 3 405.401 3.589 20 5 HHBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC000519842052 1009025688 /nfs/dbraw/zinc/02/56/88/1009025688.db2.gz ONBPFMLVZUDVEG-QGZVFWFLSA-N 0 3 424.270 3.838 20 5 HHBDHN COC(=O)C[C@@H](N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CCCCC1 ZINC000543460561 1009046882 /nfs/dbraw/zinc/04/68/82/1009046882.db2.gz OLELTNOQALACGS-YVEFUNNKSA-N 0 3 411.886 3.677 20 5 HHBDHN COc1cccc([C@@H]2[C@H](NCc3cc(OC)c(F)cc3[N+](=O)[O-])CCN2C2CC2)c1 ZINC000549471426 1009066919 /nfs/dbraw/zinc/06/69/19/1009066919.db2.gz JDOJNEYHTHOEPB-DENIHFKCSA-N 0 3 415.465 3.819 20 5 HHBDHN C[C@H](NCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1nc(C(C)(C)C)cs1 ZINC000543513778 1009103506 /nfs/dbraw/zinc/10/35/06/1009103506.db2.gz GTZCVKZJIXFRGY-LBPRGKRZSA-N 0 3 404.492 3.998 20 5 HHBDHN CCN(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000546225688 1009253077 /nfs/dbraw/zinc/25/30/77/1009253077.db2.gz UZYIIWUSONCNJV-FQEVSTJZSA-N 0 3 407.474 3.741 20 5 HHBDHN CC(C)N1CCN(c2ccc(-c3nc(Cc4ccccc4[N+](=O)[O-])no3)cc2)CC1 ZINC000546237941 1009262492 /nfs/dbraw/zinc/26/24/92/1009262492.db2.gz YVAOVDJHYWDXPD-UHFFFAOYSA-N 0 3 407.474 3.766 20 5 HHBDHN CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000520267974 1009385405 /nfs/dbraw/zinc/38/54/05/1009385405.db2.gz NKLXVCFEODOUOD-LJQANCHMSA-N 0 3 408.458 3.863 20 5 HHBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@H]1CCCc2cn(CCOC)nc21 ZINC000546934929 1009894924 /nfs/dbraw/zinc/89/49/24/1009894924.db2.gz FELUNFOFLUQEDI-SJORKVTESA-N 0 3 404.536 3.976 20 5 HHBDHN COc1ccc([C@@H](CN2CCCC2)NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000544538931 1010167848 /nfs/dbraw/zinc/16/78/48/1010167848.db2.gz ZVJMYTOTLZWDME-YCRPNKLZSA-N 0 3 415.465 3.799 20 5 HHBDHN CCN(C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000544850794 1010436535 /nfs/dbraw/zinc/43/65/35/1010436535.db2.gz FEQSUJDEUFZMLC-NRFANRHFSA-N 0 3 422.529 3.932 20 5 HHBDHN CCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000544895823 1010472196 /nfs/dbraw/zinc/47/21/96/1010472196.db2.gz RLODFVDLPBNKLJ-GOSISDBHSA-N 0 3 416.909 3.783 20 5 HHBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@@H](c2cccs2)N2CCCC2)c1 ZINC000540598162 1011254290 /nfs/dbraw/zinc/25/42/90/1011254290.db2.gz OYXHLXCZJPOCHN-KRWDZBQOSA-N 0 3 403.504 3.687 20 5 HHBDHN Cc1ccn(-c2ccccc2CNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)n1 ZINC000540619756 1011272041 /nfs/dbraw/zinc/27/20/41/1011272041.db2.gz NGMLHEFVLQDVMW-UHFFFAOYSA-N 0 3 402.458 3.779 20 5 HHBDHN Cc1ccc([N-]S(=O)(=O)c2ccc(NCC[NH2+]C(C)(C)C)c([N+](=O)[O-])c2)c(C)c1 ZINC000523514153 1012038266 /nfs/dbraw/zinc/03/82/66/1012038266.db2.gz SUVRPLWGQUEIEZ-UHFFFAOYSA-N 0 3 420.535 3.812 20 5 HHBDHN C[C@H](c1ccncc1)N1CCC(N[C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000552061782 1012080552 /nfs/dbraw/zinc/08/05/52/1012080552.db2.gz ZZNJRTLMUBTSCS-VGSWGCGISA-N 0 3 420.517 3.628 20 5 HHBDHN O=C1CCCN1C[C@@H](NCCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)c1ccccc1 ZINC000537016978 1012318858 /nfs/dbraw/zinc/31/88/58/1012318858.db2.gz CEZAILXMMMUKQF-HXUWFJFHSA-N 0 3 420.469 3.746 20 5 HHBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@@H]1CCCN(Cc2ccccn2)C1=O ZINC000541568100 1012357625 /nfs/dbraw/zinc/35/76/25/1012357625.db2.gz CFQJOXINZBITQQ-SJLPKXTDSA-N 0 3 414.531 3.641 20 5 HHBDHN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000541603466 1012400210 /nfs/dbraw/zinc/40/02/10/1012400210.db2.gz OGPOREXNFYWAGC-NSHDSACASA-N 0 3 413.400 3.650 20 5 HHBDHN C[C@@H](NC(=O)N1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1)c1ccccc1[N+](=O)[O-] ZINC000537097261 1012459754 /nfs/dbraw/zinc/45/97/54/1012459754.db2.gz HMDYTJUPEOTXQU-KZNAEPCWSA-N 0 3 418.538 3.577 20 5 HHBDHN COc1ccc([C@@H](CN(C)C)NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000552474256 1012501299 /nfs/dbraw/zinc/50/12/99/1012501299.db2.gz LNVMRRIAVYJIES-MRXNPFEDSA-N 0 3 423.922 3.768 20 5 HHBDHN CCOc1ccc(NC(=O)CN[C@@H](C[C@H]2CCOC2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000537125895 1012509383 /nfs/dbraw/zinc/50/93/83/1012509383.db2.gz LUQDREADCFGBJJ-UZLBHIALSA-N 0 3 413.474 3.690 20 5 HHBDHN Nc1ccc(-c2noc([C@@H]3CN(Cc4ccccc4)CCC3(F)F)n2)cc1[N+](=O)[O-] ZINC000567276002 1072875710 /nfs/dbraw/zinc/87/57/10/1072875710.db2.gz PHPRHDHWKAVDJO-HNNXBMFYSA-N 0 3 415.400 3.852 20 5 HHBDHN CCn1c(C)nc([N+](=O)[O-])c1N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000588807486 1073266027 /nfs/dbraw/zinc/26/60/27/1073266027.db2.gz MRESEJIIUNIKGU-UHFFFAOYSA-N 0 3 411.428 3.851 20 5 HHBDHN Cc1c(NC(=O)[C@H](C)N[C@H]2c3ccccc3CC23CCOCC3)cccc1[N+](=O)[O-] ZINC000573491116 1074526537 /nfs/dbraw/zinc/52/65/37/1074526537.db2.gz WSQJBURYYFMTQW-KKSFZXQISA-N 0 3 409.486 3.914 20 5 HHBDHN Cc1ccc(-c2ccc(N3CC[C@H]4[C@@H]3CCN4Cc3cccnc3)nn2)cc1[N+](=O)[O-] ZINC001164735934 720417056 /nfs/dbraw/zinc/41/70/56/720417056.db2.gz ZPGMQCQVMMYJGF-SFTDATJTSA-N 0 3 416.485 3.608 20 5 HHBDHN O=[N+]([O-])c1cc2ccccc2nc1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164908817 721544384 /nfs/dbraw/zinc/54/43/84/721544384.db2.gz QRFHYXMMNYWDEF-PKOBYXMFSA-N 0 3 408.433 3.624 20 5 HHBDHN Cc1ccc([C@H](CNc2ccc([N+](=O)[O-])cc2N2CCOC2=O)N2CCCC2)o1 ZINC000301405966 970912483 /nfs/dbraw/zinc/91/24/83/970912483.db2.gz LSCNUIVUBNSJNS-SFHVURJKSA-N 0 3 400.435 3.702 20 5 HHBDHN CCCN(CCN1CCCCC1)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000553154429 1013113950 /nfs/dbraw/zinc/11/39/50/1013113950.db2.gz KGQHVRPFNDWZNX-UHFFFAOYSA-N 0 3 402.539 3.536 20 5 HHBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000303789844 972029143 /nfs/dbraw/zinc/02/91/43/972029143.db2.gz JSWVROOIXYNSGV-APWZRJJASA-N 0 3 417.531 3.577 20 5 HHBDHN C[C@H]1CCCN(c2ccc(C(=O)NCc3ccccc3CN(C)C)cc2[N+](=O)[O-])C1 ZINC000009917265 961712521 /nfs/dbraw/zinc/71/25/21/961712521.db2.gz QHYSQTNHXZZVTJ-KRWDZBQOSA-N 0 3 410.518 3.823 20 5 HHBDHN CCc1ccc([C@H](NC[C@H](C(C)C)N2CCN(C)CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000542481715 1013429692 /nfs/dbraw/zinc/42/96/92/1013429692.db2.gz APVWJVRRXQSELL-FYYLOGMGSA-N 0 3 414.550 3.701 20 5 HHBDHN CCN(CC)[C@@H](CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)c1ccsc1 ZINC000052877490 965011455 /nfs/dbraw/zinc/01/14/55/965011455.db2.gz BBLUWBDEHOJKES-IBGZPJMESA-N 0 3 413.503 3.655 20 5 HHBDHN COc1ccc(Cl)cc1NC(=O)C[C@@H](C)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000537973299 1013550135 /nfs/dbraw/zinc/55/01/35/1013550135.db2.gz DTBIAFKGNBTMSC-GFCCVEGCSA-N 0 3 407.854 3.772 20 5 HHBDHN O=C(NCCCCN1CCN(c2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000054573168 965568004 /nfs/dbraw/zinc/56/80/04/965568004.db2.gz VLKWAHOTYWXQBK-UHFFFAOYSA-N 0 3 416.909 3.580 20 5 HHBDHN Cc1cc(N2CCN(Cc3ccccc3C)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000060858376 966311836 /nfs/dbraw/zinc/31/18/36/966311836.db2.gz IRZZISCOGITKGW-UHFFFAOYSA-N 0 3 403.486 3.991 20 5 HHBDHN Cc1cc(N2CCN(CCc3cccs3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000060861314 966312855 /nfs/dbraw/zinc/31/28/55/966312855.db2.gz RTIXPSBWVBHZKA-UHFFFAOYSA-N 0 3 409.515 3.786 20 5 HHBDHN CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@H](c2ccc(CC)cc2)N(C)C)cc1OC ZINC000032733950 966319901 /nfs/dbraw/zinc/31/99/01/966319901.db2.gz RFTDNYMWYBLXFT-LJQANCHMSA-N 0 3 415.490 3.597 20 5 HHBDHN CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000064470655 967200497 /nfs/dbraw/zinc/20/04/97/967200497.db2.gz UKWJWFKTUMDFQR-UHFFFAOYSA-N 0 3 401.410 3.879 20 5 HHBDHN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CCC[C@H](c3nnc(C)[nH]3)C2)cc1OC ZINC000542882786 1013731030 /nfs/dbraw/zinc/73/10/30/1013731030.db2.gz HLEWQRRDHPGCIM-HOCLYGCPSA-N 0 3 417.510 3.834 20 5 HHBDHN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CCC[C@@H](c3nnc(C)[nH]3)C2)cc1OC ZINC000542882785 1013731177 /nfs/dbraw/zinc/73/11/77/1013731177.db2.gz HLEWQRRDHPGCIM-GOEBONIOSA-N 0 3 417.510 3.834 20 5 HHBDHN CCCC[C@@H](NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc(OC)cc1 ZINC000538205110 1013758958 /nfs/dbraw/zinc/75/89/58/1013758958.db2.gz OUDVCWKHMOMRLX-MRXNPFEDSA-N 0 3 415.446 3.792 20 5 HHBDHN C[C@H]1C[C@@H]1N1CCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H](C)C1 ZINC000554111861 1013802787 /nfs/dbraw/zinc/80/27/87/1013802787.db2.gz JAVHGMVVIKCMBR-DEYYWGMASA-N 0 3 400.504 3.521 20 5 HHBDHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000065931393 968721906 /nfs/dbraw/zinc/72/19/06/968721906.db2.gz SHSQKJUZOGERJS-UHFFFAOYSA-N 0 3 400.454 3.512 20 5 HHBDHN CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000065938632 968729108 /nfs/dbraw/zinc/72/91/08/968729108.db2.gz PVWCOQQRHPNAMH-UHFFFAOYSA-N 0 3 402.401 3.558 20 5 HHBDHN CCN1CCN(Cc2ccc(CNc3nc4ccc([N+](=O)[O-])cc4s3)cc2)CC1 ZINC000111193981 969797745 /nfs/dbraw/zinc/79/77/45/969797745.db2.gz HUVJCGLTHSUCJW-UHFFFAOYSA-N 0 3 411.531 3.954 20 5 HHBDHN COc1cc(CNC[C@@H]2CCC[C@H](O)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000237246810 970248749 /nfs/dbraw/zinc/24/87/49/970248749.db2.gz BMRPLTMQFMHKSL-MJGOQNOKSA-N 0 3 400.475 3.823 20 5 HHBDHN COc1cc(CNCc2ccc(-c3ccccc3[N+](=O)[O-])s2)ccc1OCCO ZINC000237265151 970250893 /nfs/dbraw/zinc/25/08/93/970250893.db2.gz KPRZZCPOGUHNNC-UHFFFAOYSA-N 0 3 414.483 3.993 20 5 HHBDHN Cn1cc(CNCc2cccc(OCC(F)F)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237933835 970397635 /nfs/dbraw/zinc/39/76/35/970397635.db2.gz SMVANLQAYLKNMP-UHFFFAOYSA-N 0 3 402.401 3.929 20 5 HHBDHN C[C@H]1[C@H](NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC000554642295 1013997828 /nfs/dbraw/zinc/99/78/28/1013997828.db2.gz ZRFNLKLZBQGJCZ-XJKSGUPXSA-N 0 3 405.401 3.589 20 5 HHBDHN Cc1c(NC(=O)CCN(Cc2cccs2)C[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000150212955 970435092 /nfs/dbraw/zinc/43/50/92/970435092.db2.gz GFTKKBHIWHQYHI-INIZCTEOSA-N 0 3 403.504 3.975 20 5 HHBDHN O=[N+]([O-])c1ccc(N2CCC[C@H](CN3CCN(c4ccccn4)CC3)C2)c(Cl)c1 ZINC000301088543 970742940 /nfs/dbraw/zinc/74/29/40/970742940.db2.gz HGKKDRZXLKXYSL-QGZVFWFLSA-N 0 3 415.925 3.682 20 5 HHBDHN CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000410046175 973527133 /nfs/dbraw/zinc/52/71/33/973527133.db2.gz BYFJFFRQAVGERZ-NRFANRHFSA-N 0 3 411.502 3.563 20 5 HHBDHN O=C(NCCCN1CCc2ccccc2C1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000426047415 974168884 /nfs/dbraw/zinc/16/88/84/974168884.db2.gz GHVSTORCEQETKU-UHFFFAOYSA-N 0 3 408.502 3.717 20 5 HHBDHN CN(C)CCN(C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C1CCCC1 ZINC000426270324 974360091 /nfs/dbraw/zinc/36/00/91/974360091.db2.gz IAKLMXJLCLLJRI-UHFFFAOYSA-N 0 3 402.417 3.629 20 5 HHBDHN C[C@H]1CN(CCC2CCN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)CC2)C[C@H](C)O1 ZINC000427290243 975028172 /nfs/dbraw/zinc/02/81/72/975028172.db2.gz YXMMIJAVHCERRF-GJZGRUSLSA-N 0 3 409.914 3.600 20 5 HHBDHN CCn1cc([N+](=O)[O-])c(C(=O)N(CCN(C)Cc2ccccc2)Cc2ccccc2)n1 ZINC000427388684 975088891 /nfs/dbraw/zinc/08/88/91/975088891.db2.gz BPMUPJQMPAEKII-UHFFFAOYSA-N 0 3 421.501 3.586 20 5 HHBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@H](CO)Cc1ccc(Br)cc1 ZINC000428539312 975839901 /nfs/dbraw/zinc/83/99/01/975839901.db2.gz SATYNAUMNSDEMO-OAHLLOKOSA-N 0 3 423.307 3.697 20 5 HHBDHN Cc1noc(C[C@@H](N[C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)c2ccccc2)n1 ZINC000429472506 976738353 /nfs/dbraw/zinc/73/83/53/976738353.db2.gz PMIYNMDVWWGPPT-IFXJQAMLSA-N 0 3 409.446 3.577 20 5 HHBDHN CN(C)CCN(Cc1cccc(F)c1)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431806537 978527850 /nfs/dbraw/zinc/52/78/50/978527850.db2.gz BSKUGJUOPYFURB-UHFFFAOYSA-N 0 3 424.270 3.700 20 5 HHBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)SCCN(C)Cc1ccccc1 ZINC000433036284 979048841 /nfs/dbraw/zinc/04/88/41/979048841.db2.gz SVOWTVAVHUQGGA-HNNXBMFYSA-N 0 3 403.504 3.796 20 5 HHBDHN Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000434322955 980086561 /nfs/dbraw/zinc/08/65/61/980086561.db2.gz YGMVFZDPYYRJAK-GOSISDBHSA-N 0 3 420.473 3.502 20 5 HHBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000434689285 980341381 /nfs/dbraw/zinc/34/13/81/980341381.db2.gz AAHUWEVGXARPMY-UHFFFAOYSA-N 0 3 413.449 3.966 20 5 HHBDHN Cc1cc(NC(=O)Cc2ccccc2[N+](=O)[O-])n([C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000435273603 980752658 /nfs/dbraw/zinc/75/26/58/980752658.db2.gz AZPSSJIZUPIPBM-HXUWFJFHSA-N 0 3 419.485 3.728 20 5 HHBDHN Cc1cc(C(=O)Nc2ccnn2[C@H]2CCN(Cc3ccccc3)C2)cc([N+](=O)[O-])c1 ZINC000435367757 980815818 /nfs/dbraw/zinc/81/58/18/980815818.db2.gz ZWHGLDMXPFEVFF-IBGZPJMESA-N 0 3 405.458 3.799 20 5 HHBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1 ZINC000435369463 980818854 /nfs/dbraw/zinc/81/88/54/980818854.db2.gz LHLKNIRCBOVYNQ-IBGZPJMESA-N 0 3 405.458 3.799 20 5 HHBDHN CC(C)c1ccc(CNCc2ccc(N3CCCS3(=O)=O)cc2)cc1[N+](=O)[O-] ZINC000461420954 983084379 /nfs/dbraw/zinc/08/43/79/983084379.db2.gz QUELYAVPXHPCFN-UHFFFAOYSA-N 0 3 403.504 3.548 20 5 HHBDHN C[C@H](Nc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])[C@H](c1ccccc1)N(C)C ZINC000439126890 983263221 /nfs/dbraw/zinc/26/32/21/983263221.db2.gz GEZSIVGTZWUXTL-MGPUTAFESA-N 0 3 407.474 3.663 20 5 HHBDHN C[C@@H](c1ccncc1)N1CCC(NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000439765462 983529587 /nfs/dbraw/zinc/52/95/87/983529587.db2.gz GOBIVGNGQNDFKL-KRWDZBQOSA-N 0 3 411.506 3.524 20 5 HHBDHN CCOC(=O)[C@H]1CN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)Cc2ccccc21 ZINC000441122919 984079049 /nfs/dbraw/zinc/07/90/49/984079049.db2.gz IBGCZXZXQKNCJQ-FQEVSTJZSA-N 0 3 421.453 3.955 20 5 HHBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)CCN1CCN(c2ccccc2)CC1 ZINC000468102219 985762576 /nfs/dbraw/zinc/76/25/76/985762576.db2.gz DEJNCJINXVSDRV-UHFFFAOYSA-N 0 3 410.518 3.544 20 5 HHBDHN Cc1cccc(N2CCN(CCC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C(C)C)CC2)c1 ZINC000468132766 985797434 /nfs/dbraw/zinc/79/74/34/985797434.db2.gz NJJJKQFPPFZNOS-UHFFFAOYSA-N 0 3 424.545 3.853 20 5 HHBDHN O=[N+]([O-])c1ccc(NCCCN2CCN(c3ccccc3)CC2)cc1OC(F)F ZINC000462924525 985858828 /nfs/dbraw/zinc/85/88/28/985858828.db2.gz GIHSOGVKXNPVJV-UHFFFAOYSA-N 0 3 406.433 3.820 20 5 HHBDHN COc1cc(CN[C@@H]2C[C@@H](OC(C)C)C2(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000468484107 986181528 /nfs/dbraw/zinc/18/15/28/986181528.db2.gz PRODNYZMMXYZPO-IAGOWNOFSA-N 0 3 402.438 3.929 20 5 HHBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNC[C@@H](CO)Cc2cc(F)c(F)c(F)c2)c1 ZINC000444005317 986201897 /nfs/dbraw/zinc/20/18/97/986201897.db2.gz VZUPABATNSGLAK-NSHDSACASA-N 0 3 420.334 3.554 20 5 HHBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCc1cccc(C(=O)NC[C@H]2CCCO2)c1 ZINC000468642492 986357724 /nfs/dbraw/zinc/35/77/24/986357724.db2.gz RVYMRBSHXMFXKY-CJBPROBKSA-N 0 3 409.486 3.697 20 5 HHBDHN CCS[C@@H]1CCCC[C@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000469788111 987432849 /nfs/dbraw/zinc/43/28/49/987432849.db2.gz AAIBPZWFFVKREX-HUUCEWRRSA-N 0 3 416.341 3.950 20 5 HHBDHN Cc1nc([N+](=O)[O-])c(-c2noc(-c3cccc(CN(C)Cc4ccccc4)c3)n2)n1C ZINC000445611712 987681430 /nfs/dbraw/zinc/68/14/30/987681430.db2.gz CRYOOMZEJCTKOE-UHFFFAOYSA-N 0 3 418.457 3.986 20 5 HHBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000463954310 988065955 /nfs/dbraw/zinc/06/59/55/988065955.db2.gz JHXISZORJSZHQG-IRXDYDNUSA-N 0 3 404.511 3.565 20 5 HHBDHN CN(C(=O)CCCNc1ccc([N+](=O)[O-])cc1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000470662574 988682529 /nfs/dbraw/zinc/68/25/29/988682529.db2.gz KOCCSHYRUWSRRO-QFIPXVFZSA-N 0 3 410.518 3.910 20 5 HHBDHN CN(C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000470671734 988693871 /nfs/dbraw/zinc/69/38/71/988693871.db2.gz ALWMGDSFKDDGBJ-NRFANRHFSA-N 0 3 406.486 3.673 20 5 HHBDHN O=[N+]([O-])c1ccc(-c2ccc(CNCCOCC(F)F)o2)c(Br)c1 ZINC000471546756 989745763 /nfs/dbraw/zinc/74/57/63/989745763.db2.gz GRVLEVIHYDRTHO-UHFFFAOYSA-N 0 3 405.195 3.989 20 5 HHBDHN C[C@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)[C@@H](c1ccccc1)N(C)C ZINC000471572286 989774130 /nfs/dbraw/zinc/77/41/30/989774130.db2.gz GMPAXTARRVCMFX-JTSKRJEESA-N 0 3 410.518 3.619 20 5 HHBDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000466585199 991902035 /nfs/dbraw/zinc/90/20/35/991902035.db2.gz FXFSZYRKKYXZHV-YOEHRIQHSA-N 0 3 402.882 3.883 20 5 HHBDHN C[C@H]1C[C@@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CN1Cc1ccccc1 ZINC000467697113 992953512 /nfs/dbraw/zinc/95/35/12/992953512.db2.gz QIZJOILIEGEXGI-FXAWDEMLSA-N 0 3 408.502 3.588 20 5 HHBDHN COc1cnccc1N1CCN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000481059026 993900323 /nfs/dbraw/zinc/90/03/23/993900323.db2.gz XSTKABPCVLCSPM-UHFFFAOYSA-N 0 3 418.453 3.556 20 5 HHBDHN O=[N+]([O-])c1ccc2[nH]c(N3CCCN(CCc4ccc(F)c(F)c4)CC3)nc2c1 ZINC000481179974 994010490 /nfs/dbraw/zinc/01/04/90/994010490.db2.gz KPLJUVBZGCATSL-UHFFFAOYSA-N 0 3 401.417 3.504 20 5 HHBDHN CNc1c(C(=O)Nc2cc(C)cc(N3CCN(C(C)C)CC3)c2)cccc1[N+](=O)[O-] ZINC000482020674 994933171 /nfs/dbraw/zinc/93/31/71/994933171.db2.gz HSDCQMUTAZXBFK-UHFFFAOYSA-N 0 3 411.506 3.728 20 5 HHBDHN CC(C)[C@H](CN(C)Cc1ccccc1)NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000482149930 995102182 /nfs/dbraw/zinc/10/21/82/995102182.db2.gz NZKDMEKLEDNBBF-FQEVSTJZSA-N 0 3 409.490 3.891 20 5 HHBDHN COc1cc(C(=O)N(C)CCN(C)C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000474258320 995257011 /nfs/dbraw/zinc/25/70/11/995257011.db2.gz PFEPSCCWFIICGR-UHFFFAOYSA-N 0 3 407.854 3.683 20 5 HHBDHN COc1cccc(CN(CCN(C)C)C(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)c1 ZINC000482390878 995375885 /nfs/dbraw/zinc/37/58/85/995375885.db2.gz AVLPWCGXSTUGNQ-MRXNPFEDSA-N 0 3 417.531 3.674 20 5 HHBDHN CCCN(Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000482681545 995674401 /nfs/dbraw/zinc/67/44/01/995674401.db2.gz ITTCLIIGUVBEMT-UHFFFAOYSA-N 0 3 421.501 3.988 20 5 HHBDHN CN(C)CCN(Cc1ccccn1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000475205559 995996036 /nfs/dbraw/zinc/99/60/36/995996036.db2.gz JNTXMFDWSSSSBW-UHFFFAOYSA-N 0 3 411.384 3.604 20 5 HHBDHN COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCN([C@H](C)c3ccccc3)C2)cc1SC ZINC000483470791 996200863 /nfs/dbraw/zinc/20/08/63/996200863.db2.gz PFRJYCBRBLSAIE-ZBFHGGJFSA-N 0 3 415.515 3.891 20 5 HHBDHN CC(C)Oc1ccc([C@@H](CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)N(C)C)cc1 ZINC000484716858 997057089 /nfs/dbraw/zinc/05/70/89/997057089.db2.gz WLPJSHUGWRYNCZ-OAQYLSRUSA-N 0 3 414.506 3.527 20 5 HHBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000477607407 998324516 /nfs/dbraw/zinc/32/45/16/998324516.db2.gz ARGJIEBDYLLAQF-HUUCEWRRSA-N 0 3 409.914 3.518 20 5 HHBDHN CCN(c1ccccc1)S(=O)(=O)c1ccc(N2CCc3cnccc32)c([N+](=O)[O-])c1 ZINC000487783168 999287851 /nfs/dbraw/zinc/28/78/51/999287851.db2.gz LIGXIZZBCLMCQK-UHFFFAOYSA-N 0 3 424.482 3.899 20 5 HHBDHN CN1CC[C@H](NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000488011131 999347663 /nfs/dbraw/zinc/34/76/63/999347663.db2.gz XSWVJGCQTFSUJC-HKUYNNGSSA-N 0 3 402.882 3.535 20 5 HHBDHN CN(C)C[C@@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000488904722 999642274 /nfs/dbraw/zinc/64/22/74/999642274.db2.gz CJEQWJCHVJUNLN-OAHLLOKOSA-N 0 3 411.886 3.899 20 5 HHBDHN Cc1ccc([N-]S(=O)(=O)c2ccc(NC[C@H](C)C[NH+](C)C)c([N+](=O)[O-])c2)c(C)c1 ZINC000489021718 999674561 /nfs/dbraw/zinc/67/45/61/999674561.db2.gz YWRNHEYICNUDGV-HNNXBMFYSA-N 0 3 420.535 3.622 20 5 HHBDHN O=C(NCC1(N2CCSCC2)CCCC1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000489652465 999810447 /nfs/dbraw/zinc/81/04/47/999810447.db2.gz WJBVEZLOIMTMRC-UHFFFAOYSA-N 0 3 418.563 3.630 20 5 HHBDHN O=C(NCCCN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)c1cccc(O)c1 ZINC000490141160 999899236 /nfs/dbraw/zinc/89/92/36/999899236.db2.gz AIJHIEJYOWODFA-QFIPXVFZSA-N 0 3 405.454 3.800 20 5 HHBDHN O=[N+]([O-])c1cccc([C@@H](NC[C@@H](O)CN2CCc3ccccc3C2)c2ccccc2)c1 ZINC000490191433 999908201 /nfs/dbraw/zinc/90/82/01/999908201.db2.gz SKTFCXIIJJBZCN-RPBOFIJWSA-N 0 3 417.509 3.693 20 5 HHBDHN COc1cc(CN[C@@H]2CCN(Cc3ccccc3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000491059169 1000040698 /nfs/dbraw/zinc/04/06/98/1000040698.db2.gz JSTIEHKKADECAB-QGZVFWFLSA-N 0 3 421.444 3.611 20 5 HHBDHN C[C@H]1C[C@@H](CCNc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])CN1Cc1ccccc1 ZINC000497539235 1001426202 /nfs/dbraw/zinc/42/62/02/1001426202.db2.gz BGPQMYGYROAFSD-FUHWJXTLSA-N 0 3 417.531 3.711 20 5 HHBDHN CC[C@H](N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)c1ccc(OC)c(OC)c1 ZINC000506601950 1001468388 /nfs/dbraw/zinc/46/83/88/1001468388.db2.gz NLEFZXMMZKWELL-HOCLYGCPSA-N 0 3 401.463 3.988 20 5 HHBDHN CC[C@H](N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)c1ccc(OC)c(OC)c1 ZINC000506601951 1001468533 /nfs/dbraw/zinc/46/85/33/1001468533.db2.gz NLEFZXMMZKWELL-ZBFHGGJFSA-N 0 3 401.463 3.988 20 5 HHBDHN O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1C[C@H]2CCCN2Cc2ccccc21 ZINC000497801339 1001518262 /nfs/dbraw/zinc/51/82/62/1001518262.db2.gz YVFHXPWRKBBASC-OAHLLOKOSA-N 0 3 403.385 3.821 20 5 HHBDHN O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCCN(CCCc2ccccc2)CC1 ZINC000507163949 1001851923 /nfs/dbraw/zinc/85/19/23/1001851923.db2.gz USIYZNINQZGMTB-UHFFFAOYSA-N 0 3 406.486 3.857 20 5 HHBDHN Cn1cc(CN2CCC(n3cc(Cl)cn3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000507713483 1002304074 /nfs/dbraw/zinc/30/40/74/1002304074.db2.gz JQXRNHRNXBWFIM-UHFFFAOYSA-N 0 3 400.870 3.682 20 5 HHBDHN CCN(CCCN1CCCC1)C(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000508206391 1002739571 /nfs/dbraw/zinc/73/95/71/1002739571.db2.gz ONKFIJBDFGGLQQ-UHFFFAOYSA-N 0 3 413.468 3.908 20 5 HHBDHN C[C@@]1(CN[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CCOC1 ZINC000500290180 1003602607 /nfs/dbraw/zinc/60/26/07/1003602607.db2.gz MUUCRBAFGXZKNF-ICSRJNTNSA-N 0 3 403.866 3.944 20 5 HHBDHN COc1ccc([C@@H](CN2CCCC2)NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1 ZINC000500410708 1003699534 /nfs/dbraw/zinc/69/95/34/1003699534.db2.gz PVUJHXBVXCYYTJ-JOCHJYFZSA-N 0 3 422.485 3.581 20 5 HHBDHN CC[C@H](C)N[C@@H](CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccco1 ZINC000509596939 1003970488 /nfs/dbraw/zinc/97/04/88/1003970488.db2.gz WEVOIYHQLADQSJ-KXBFYZLASA-N 0 3 400.479 3.991 20 5 HHBDHN C[C@@H]1CN([C@H](CNCc2ccccc2[N+](=O)[O-])c2c(F)cccc2Cl)CCO1 ZINC000509610599 1003977456 /nfs/dbraw/zinc/97/74/56/1003977456.db2.gz WLDXDZQKSWQFEM-AUUYWEPGSA-N 0 3 407.873 3.939 20 5 HHBDHN O=C(CCN(CCO)Cc1ccc(Cl)c(Cl)c1)Nc1ccccc1[N+](=O)[O-] ZINC000501007167 1004112559 /nfs/dbraw/zinc/11/25/59/1004112559.db2.gz LTPSGGZNMVLNJJ-UHFFFAOYSA-N 0 3 412.273 3.725 20 5 HHBDHN COc1cc(CNC(C)(C)COc2ncccc2Br)ccc1[N+](=O)[O-] ZINC000501045447 1004147333 /nfs/dbraw/zinc/14/73/33/1004147333.db2.gz MMLMAVDMPYOWLK-UHFFFAOYSA-N 0 3 410.268 3.708 20 5 HHBDHN COc1cc(CN2CCCCC[C@H]2C[C@H](C)O)c([N+](=O)[O-])cc1OCC(F)F ZINC000512485877 1004336741 /nfs/dbraw/zinc/33/67/41/1004336741.db2.gz JGNSPPAZUMQLFB-ZFWWWQNUSA-N 0 3 402.438 3.763 20 5 HHBDHN CCOC(=O)c1cnn(C2CCN([C@@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)c1C ZINC000510611895 1004753379 /nfs/dbraw/zinc/75/33/79/1004753379.db2.gz BLPRXTJZLFSTOU-HNNXBMFYSA-N 0 3 400.479 3.983 20 5 HHBDHN C[C@H]1CN(c2cccc3cnccc32)CCN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000501850509 1004775382 /nfs/dbraw/zinc/77/53/82/1004775382.db2.gz LDWKBDTZZGVGJQ-KRWDZBQOSA-N 0 3 419.485 3.682 20 5 HHBDHN C[C@@H]1[C@@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)CCN1Cc1ccccc1 ZINC000502158878 1004929759 /nfs/dbraw/zinc/92/97/59/1004929759.db2.gz QTYMWHIAJFHYBG-KUHUBIRLSA-N 0 3 402.882 3.710 20 5 HHBDHN C[C@@H](Nc1ccc(C(=O)NCCN2CCC[C@@H](C)C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000511137667 1005039471 /nfs/dbraw/zinc/03/94/71/1005039471.db2.gz CLFISMLUDSTYCB-IAGOWNOFSA-N 0 3 411.506 3.625 20 5 HHBDHN CC(C)N1CCN(c2ccc(C(=O)N3CCCc4c([N+](=O)[O-])cccc43)cc2)CC1 ZINC000513836047 1005152389 /nfs/dbraw/zinc/15/23/89/1005152389.db2.gz ZISURCLBYQFOKE-UHFFFAOYSA-N 0 3 408.502 3.718 20 5 HHBDHN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000514184903 1005302648 /nfs/dbraw/zinc/30/26/48/1005302648.db2.gz AAMGOLLETQMPKL-HNNXBMFYSA-N 0 3 419.428 3.933 20 5 HHBDHN COc1ccc(C[C@H](C)CN(C)[C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC000534172914 1006156938 /nfs/dbraw/zinc/15/69/38/1006156938.db2.gz HOKVSWHGKGOQRU-HOTGVXAUSA-N 0 3 415.490 3.750 20 5 HHBDHN O=C(Nc1cccc(CN2CCC(CO)CC2)c1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000534257397 1006266450 /nfs/dbraw/zinc/26/64/50/1006266450.db2.gz QLKSWXDJIIHEHV-UHFFFAOYSA-N 0 3 408.458 3.533 20 5 HHBDHN CCOc1ccc([C@H](C)N[C@@H](C)[C@@H]2CN(Cc3ccccc3)CCO2)cc1[N+](=O)[O-] ZINC000534329305 1006302061 /nfs/dbraw/zinc/30/20/61/1006302061.db2.gz XWODQJKXNKGIQQ-BSRJHKFKSA-N 0 3 413.518 3.934 20 5 HHBDHN Cc1c([C@@H](C)NCc2ccc(CS(=O)(=O)NC(C)C)cc2)cccc1[N+](=O)[O-] ZINC000531696398 1006360790 /nfs/dbraw/zinc/36/07/90/1006360790.db2.gz FGUVNFLSEAYVEN-MRXNPFEDSA-N 0 3 405.520 3.582 20 5 HHBDHN CC1CCN(c2ccc(C(=O)NC[C@@H](Cc3ccccc3)N(C)C)cc2[N+](=O)[O-])CC1 ZINC000534520452 1006516477 /nfs/dbraw/zinc/51/64/77/1006516477.db2.gz POYRPWKQIHFGFL-OAQYLSRUSA-N 0 3 424.545 3.734 20 5 HHBDHN C[C@@H]1CCCN(c2ccc(C(=O)NC[C@H](Cc3ccccc3)N(C)C)cc2[N+](=O)[O-])C1 ZINC000534520526 1006516615 /nfs/dbraw/zinc/51/66/15/1006516615.db2.gz DGCCJGDIMQLCHK-NQIIRXRSSA-N 0 3 424.545 3.734 20 5 HHBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H]1c1nnc(-c2ccccc2)[n-]1 ZINC000534571695 1006560747 /nfs/dbraw/zinc/56/07/47/1006560747.db2.gz DMUZDOWSZDNJCL-LJQANCHMSA-N 0 3 420.473 3.854 20 5 HHBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H]1c1nnc(-c2ccccc2)[n-]1 ZINC000534571695 1006560754 /nfs/dbraw/zinc/56/07/54/1006560754.db2.gz DMUZDOWSZDNJCL-LJQANCHMSA-N 0 3 420.473 3.854 20 5 HHBDHN COc1ccc([C@@H](CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)N2CCCC2)cc1 ZINC000534648074 1006626901 /nfs/dbraw/zinc/62/69/01/1006626901.db2.gz DDFRGUXGUCRKJI-JOCHJYFZSA-N 0 3 422.485 3.581 20 5 HHBDHN COc1ccc(NC(=O)CN[C@@H](COc2ccccc2F)C(C)(C)C)c([N+](=O)[O-])c1 ZINC000538392056 1006661470 /nfs/dbraw/zinc/66/14/70/1006661470.db2.gz IRZKJMKNFOZZDE-IBGZPJMESA-N 0 3 419.453 3.764 20 5 HHBDHN CC[C@@H](NCc1ccc(CS(=O)(=O)NC(C)C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000532206958 1006721074 /nfs/dbraw/zinc/72/10/74/1006721074.db2.gz ONJCEGJPRADQAC-HXUWFJFHSA-N 0 3 405.520 3.664 20 5 HHBDHN C[C@H](CCS(C)(=O)=O)NCc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000532393507 1006841242 /nfs/dbraw/zinc/84/12/42/1006841242.db2.gz NFOTWSXXLXWBFR-CYBMUJFWSA-N 0 3 412.895 3.953 20 5 HHBDHN Cc1ccc2c(c1)[nH]cc2C1=CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000532655570 1007072792 /nfs/dbraw/zinc/07/27/92/1007072792.db2.gz YVVOMHSTQCFFII-IBGZPJMESA-N 0 3 407.470 3.914 20 5 HHBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCC(OCc2ccccc2)CC1 ZINC000532739951 1007150104 /nfs/dbraw/zinc/15/01/04/1007150104.db2.gz DAIYPDJPFKOTFX-UHFFFAOYSA-N 0 3 411.458 3.574 20 5 HHBDHN COc1ccc([C@@H](CNc2ccc([N+](=O)[O-])c(OC(F)F)c2)N(C)C)cc1OC ZINC000538891838 1007170201 /nfs/dbraw/zinc/17/02/01/1007170201.db2.gz RMNRNOFPMSWVRQ-OAHLLOKOSA-N 0 3 411.405 3.928 20 5 HHBDHN Cc1c([C@H](C)NC[C@@H](O)COc2ccccc2Br)cccc1[N+](=O)[O-] ZINC000539056566 1007351633 /nfs/dbraw/zinc/35/16/33/1007351633.db2.gz PTPVJJOCWFVLGK-UONOGXRCSA-N 0 3 409.280 3.756 20 5 HHBDHN Cc1ccc([C@@H](C)NC[C@@H](O)COc2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000539382672 1007687508 /nfs/dbraw/zinc/68/75/08/1007687508.db2.gz QDOXGPYRDJWTEX-CZUORRHYSA-N 0 3 409.280 3.756 20 5 HHBDHN O=C1[C@@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CCCN1CC(F)(F)F ZINC000533444308 1007760510 /nfs/dbraw/zinc/76/05/10/1007760510.db2.gz IXWZRGXOLPJHQC-HNNXBMFYSA-N 0 3 413.421 3.966 20 5 HHBDHN C[C@@H]1CN(CCNCc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CCO1 ZINC000517547587 1007762341 /nfs/dbraw/zinc/76/23/41/1007762341.db2.gz FCHVUGZWPFOSAC-OAHLLOKOSA-N 0 3 405.882 3.851 20 5 HHBDHN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000518353082 1008273019 /nfs/dbraw/zinc/27/30/19/1008273019.db2.gz GCMMYOFLWNSNKW-IBGZPJMESA-N 0 3 421.501 3.582 20 5 HHBDHN COc1ccc(NC(=O)[C@H](C)N[C@H](C)c2cccc(N3CCCC3)c2)c([N+](=O)[O-])c1 ZINC000540478874 1008447860 /nfs/dbraw/zinc/44/78/60/1008447860.db2.gz QBSHNTFIOBTXHS-CVEARBPZSA-N 0 3 412.490 3.881 20 5 HHBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C(C)C)N2CCc3ccccc3C2)c1 ZINC000549199015 1008772519 /nfs/dbraw/zinc/77/25/19/1008772519.db2.gz DTCYRKSWWZMOTH-QFIPXVFZSA-N 0 3 411.502 3.806 20 5 HHBDHN CSc1ccc([C@H](CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)N(C)C)cc1 ZINC000549284957 1008856311 /nfs/dbraw/zinc/85/63/11/1008856311.db2.gz CDSBWQFXFLSIMI-IBGZPJMESA-N 0 3 400.504 3.916 20 5 HHBDHN COc1cc(CN2CCC[C@@H]([C@H](C)O)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000543748895 1009328499 /nfs/dbraw/zinc/32/84/99/1009328499.db2.gz HUZMSNOJVYHRCY-QFBILLFUSA-N 0 3 400.475 3.775 20 5 HHBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNCCc2cc(Cl)c3c(c2)OCCO3)c1 ZINC000520211022 1009344972 /nfs/dbraw/zinc/34/49/72/1009344972.db2.gz PUHNIHMMPXCORY-UHFFFAOYSA-N 0 3 414.792 3.953 20 5 HHBDHN CC(C)c1ccc([C@H](NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c2cccs2)cc1 ZINC000520953824 1010003217 /nfs/dbraw/zinc/00/32/17/1010003217.db2.gz OPHZDDNGEBOPSV-QUCCMNQESA-N 0 3 400.504 3.716 20 5 HHBDHN CN1CCCN(c2ccc(-c3noc(-c4cc5cc([N+](=O)[O-])ccc5o4)n3)cn2)CC1 ZINC000547068631 1010022333 /nfs/dbraw/zinc/02/23/33/1010022333.db2.gz BDOFVFMFDATAGH-UHFFFAOYSA-N 0 3 420.429 3.595 20 5 HHBDHN COc1ccc([C@H](CN2CCCC2)NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000544538928 1010167821 /nfs/dbraw/zinc/16/78/21/1010167821.db2.gz ZVJMYTOTLZWDME-BTYIYWSLSA-N 0 3 415.465 3.799 20 5 HHBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2Cc3ccccc3[C@@H](c3ccccc3)C2)c1 ZINC000521348013 1010323005 /nfs/dbraw/zinc/32/30/05/1010323005.db2.gz BMTGWTIZXHSNRA-ZJSXRUAMSA-N 0 3 404.466 3.982 20 5 HHBDHN CC1CCN([C@H](CNC(=O)CNc2ccccc2[N+](=O)[O-])c2cccs2)CC1 ZINC000521541063 1010450668 /nfs/dbraw/zinc/45/06/68/1010450668.db2.gz VITCBDLEAKVCHU-GOSISDBHSA-N 0 3 402.520 3.658 20 5 HHBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000536205839 1011351445 /nfs/dbraw/zinc/35/14/45/1011351445.db2.gz YZUOQUQXEYUVQE-KRWDZBQOSA-N 0 3 419.865 3.739 20 5 HHBDHN C[C@](O)(CNCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000536338385 1011541092 /nfs/dbraw/zinc/54/10/92/1011541092.db2.gz GLAGYWKUFUIVJG-IBGZPJMESA-N 0 3 420.391 3.850 20 5 HHBDHN COc1cccc([C@H](CNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)N2CCCC2)c1 ZINC000536507727 1011709133 /nfs/dbraw/zinc/70/91/33/1011709133.db2.gz RCVRXJRYDXQNEL-FQEVSTJZSA-N 0 3 408.458 3.652 20 5 HHBDHN COC(=O)[C@]1(C)CCN(Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000536664909 1011816207 /nfs/dbraw/zinc/81/62/07/1011816207.db2.gz WELDLPUJWNQYJE-JOCHJYFZSA-N 0 3 414.458 3.567 20 5 HHBDHN CCCN(CC(F)(F)F)C(=O)[C@H]1CCCN(Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000536696144 1011863005 /nfs/dbraw/zinc/86/30/05/1011863005.db2.gz KOVRKKOXMWFQKM-INIZCTEOSA-N 0 3 401.429 3.916 20 5 HHBDHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000523501902 1012024188 /nfs/dbraw/zinc/02/41/88/1012024188.db2.gz ZNRQZVNCWDLDII-UHFFFAOYSA-N 0 3 424.270 3.700 20 5 HHBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@H]1CCCN(Cc2ccccn2)C1=O ZINC000541568098 1012358162 /nfs/dbraw/zinc/35/81/62/1012358162.db2.gz CFQJOXINZBITQQ-AEFFLSMTSA-N 0 3 414.531 3.641 20 5 HHBDHN Cc1ccc(Cl)c(OC[C@@H](O)CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000541579723 1012371407 /nfs/dbraw/zinc/37/14/07/1012371407.db2.gz ZAIJKLIRFJKICY-KRWDZBQOSA-N 0 3 420.893 3.840 20 5 HHBDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000537262934 1012713630 /nfs/dbraw/zinc/71/36/30/1012713630.db2.gz JLRNSEZMNQMUBQ-UWJYYQICSA-N 0 3 416.481 3.907 20 5 HHBDHN CCOC(=O)c1nnc(-c2cccc(C[NH2+]CC(C)=Cc3cccc([N+](=O)[O-])c3)c2)[n-]1 ZINC000554879606 1072931734 /nfs/dbraw/zinc/93/17/34/1072931734.db2.gz WYYWGZFVMZXUKR-GDNBJRDFSA-N 0 3 421.457 3.750 20 5 HHBDHN CCOC(=O)c1nc(-c2cccc(C[NH2+]CC(C)=Cc3cccc([N+](=O)[O-])c3)c2)n[n-]1 ZINC000554879606 1072931738 /nfs/dbraw/zinc/93/17/38/1072931738.db2.gz WYYWGZFVMZXUKR-GDNBJRDFSA-N 0 3 421.457 3.750 20 5 HHBDHN C[C@H](N[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000554950001 1072983452 /nfs/dbraw/zinc/98/34/52/1072983452.db2.gz LKDOUBCETJTACW-GESALYCCSA-N 0 3 420.872 3.749 20 5 HHBDHN CC[C@@H]1CN(C)CCCN1C(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000590345055 1073749802 /nfs/dbraw/zinc/74/98/02/1073749802.db2.gz KLHLLWYIWZDTLD-FUHWJXTLSA-N 0 3 411.506 3.719 20 5 HHBDHN CSc1ccc([C@@H](CNC(=O)CCOc2cc(C)ccc2[N+](=O)[O-])N(C)C)cc1 ZINC000590532303 1073910562 /nfs/dbraw/zinc/91/05/62/1073910562.db2.gz ALLAJQWMJJUDAB-LJQANCHMSA-N 0 3 417.531 3.813 20 5 HHBDHN CC1CCN([C@H](CNc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)c2cccs2)CC1 ZINC000301690278 971029572 /nfs/dbraw/zinc/02/95/72/971029572.db2.gz NJKLKWCRJLEOEN-QGZVFWFLSA-N 0 3 416.503 3.872 20 5 HHBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000303789845 972028961 /nfs/dbraw/zinc/02/89/61/972028961.db2.gz JSWVROOIXYNSGV-LPHOPBHVSA-N 0 3 417.531 3.577 20 5 HHBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC(c2nc3ccccc3s2)CC1 ZINC000542212634 1013160230 /nfs/dbraw/zinc/16/02/30/1013160230.db2.gz RNLXLXNKZPXUKL-MRXNPFEDSA-N 0 3 413.499 3.824 20 5 HHBDHN O=C1NCCCN1C1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000537629999 1013182331 /nfs/dbraw/zinc/18/23/31/1013182331.db2.gz DEWRPUDSHDDNTF-UHFFFAOYSA-N 0 3 400.504 3.703 20 5 HHBDHN COc1ccc([C@H](CN2CCCC2)NC(=O)CSc2ccc([N+](=O)[O-])cc2)cc1 ZINC000537729215 1013290593 /nfs/dbraw/zinc/29/05/93/1013290593.db2.gz CYMMVRDSJAMEJY-FQEVSTJZSA-N 0 3 415.515 3.649 20 5 HHBDHN C[C@@H](C(=O)NCC1(N2CCSCC2)CCCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000542554104 1013496678 /nfs/dbraw/zinc/49/66/78/1013496678.db2.gz RRQJXECRTDZZNX-OAHLLOKOSA-N 0 3 409.527 3.705 20 5 HHBDHN CCOc1cccc2cc([C@H](C)NC[C@H](O)COc3ccccc3[N+](=O)[O-])oc21 ZINC000542586791 1013527852 /nfs/dbraw/zinc/52/78/52/1013527852.db2.gz HNNKEPWASFVDBC-HOCLYGCPSA-N 0 3 400.431 3.830 20 5 HHBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])NCCS(=O)(=O)c1ccc(F)cc1 ZINC000537958307 1013537976 /nfs/dbraw/zinc/53/79/76/1013537976.db2.gz PCEMPFBBGSHSID-HNNXBMFYSA-N 0 3 412.508 3.668 20 5 HHBDHN C[C@@H](Nc1ccc(C(=O)NCCN2CCC(C)CC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000053809481 965277029 /nfs/dbraw/zinc/27/70/29/965277029.db2.gz MKVABTMOECDDMP-QGZVFWFLSA-N 0 3 411.506 3.625 20 5 HHBDHN Cc1sc(C(=O)NCCCCN2CCN(c3cccc(C)c3)CC2)cc1[N+](=O)[O-] ZINC000032066193 966186814 /nfs/dbraw/zinc/18/68/14/966186814.db2.gz XJMORRCBCADDSU-UHFFFAOYSA-N 0 3 416.547 3.605 20 5 HHBDHN Cc1cccc(N2CCN(CCCCNC(=O)c3ccc(C)c([N+](=O)[O-])c3)CC2)c1 ZINC000032068198 966187860 /nfs/dbraw/zinc/18/78/60/966187860.db2.gz QFVBDGCPVYLTIN-UHFFFAOYSA-N 0 3 410.518 3.544 20 5 HHBDHN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](NC[C@@H]1CCCOC1)c1ccccc1 ZINC000056205928 966258121 /nfs/dbraw/zinc/25/81/21/966258121.db2.gz QASWZAXYXJVVDT-LIRRHRJNSA-N 0 3 403.866 3.944 20 5 HHBDHN Cc1ccc([C@@H](CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)N2CCCC2)cc1 ZINC000061502319 966482415 /nfs/dbraw/zinc/48/24/15/966482415.db2.gz AOAVFOJVAKUJOB-JOCHJYFZSA-N 0 3 406.486 3.811 20 5 HHBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@@H](C)c1ccccc1OC(F)F ZINC000538142619 1013703632 /nfs/dbraw/zinc/70/36/32/1013703632.db2.gz BOOABKNNHOGRIW-LBPRGKRZSA-N 0 3 409.389 3.884 20 5 HHBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@H](C)c1ccccc1OC(F)F ZINC000538142613 1013703649 /nfs/dbraw/zinc/70/36/49/1013703649.db2.gz BOOABKNNHOGRIW-GFCCVEGCSA-N 0 3 409.389 3.884 20 5 HHBDHN O=[N+]([O-])c1ccccc1/C=C\CNCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000538317936 1013846315 /nfs/dbraw/zinc/84/63/15/1013846315.db2.gz QTEAMIJAQBRNNG-VURMDHGXSA-N 0 3 415.515 3.572 20 5 HHBDHN CCN(CC)[C@@H](CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)c1cccc(OC)c1 ZINC000109890183 969587518 /nfs/dbraw/zinc/58/75/18/969587518.db2.gz IBGQDAWYTGOZEB-NRFANRHFSA-N 0 3 410.474 3.898 20 5 HHBDHN CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC/C=C/c2ccccc2[N+](=O)[O-])cc1 ZINC000116415930 969892378 /nfs/dbraw/zinc/89/23/78/969892378.db2.gz WHTJJKMETODPHO-SYJIQKIWSA-N 0 3 417.531 3.989 20 5 HHBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H](c1ccc(OC)cc1)N1CCCCC1 ZINC000195684234 969954222 /nfs/dbraw/zinc/95/42/22/969954222.db2.gz QVZRQAKQXSXECC-NRFANRHFSA-N 0 3 412.490 3.602 20 5 HHBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3ccc(OCc4ccncc4)cc3)C2)nc1 ZINC000237998901 970414041 /nfs/dbraw/zinc/41/40/41/970414041.db2.gz YCNZSEFWFBQVFO-IBGZPJMESA-N 0 3 405.458 3.650 20 5 HHBDHN COc1cccc(CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]2CCCO2)c1 ZINC000410034439 973512967 /nfs/dbraw/zinc/51/29/67/973512967.db2.gz PYFCHVREKQJTPG-IBGZPJMESA-N 0 3 413.474 3.613 20 5 HHBDHN COc1cc([N+](=O)[O-])ccc1CN1C[C@H]2CCC[C@@]2(c2nc(-c3cccnc3)no2)C1 ZINC000430230448 977406082 /nfs/dbraw/zinc/40/60/82/977406082.db2.gz HWXLVGXDQLHRLQ-VGOFRKELSA-N 0 3 421.457 3.602 20 5 HHBDHN CNC(=O)[C@H](Cc1c[nH]c2ccccc12)N[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433256642 979190273 /nfs/dbraw/zinc/19/02/73/979190273.db2.gz BAVMEKMQHNSWLD-LEWJYISDSA-N 0 3 406.486 3.745 20 5 HHBDHN NC(=O)c1ccc(CN2CC[C@@H](Cc3ccc(Br)cc3)C2)c([N+](=O)[O-])c1 ZINC000433312622 979230557 /nfs/dbraw/zinc/23/05/57/979230557.db2.gz RNHPFVTXWMTGKM-AWEZNQCLSA-N 0 3 418.291 3.521 20 5 HHBDHN Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000434318882 980081519 /nfs/dbraw/zinc/08/15/19/980081519.db2.gz VVKAEHOFIISSGP-HXUWFJFHSA-N 0 3 405.458 3.799 20 5 HHBDHN Cn1cc(CN2CCC(c3ncc4n3CCCC4)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000435058912 980603831 /nfs/dbraw/zinc/60/38/31/980603831.db2.gz GFKAXJJATNDJBY-UHFFFAOYSA-N 0 3 420.517 3.908 20 5 HHBDHN CC(C)N1CCC(N(C)C(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)CC1 ZINC000435936031 981101857 /nfs/dbraw/zinc/10/18/57/981101857.db2.gz FMCTZMHTUSBXTJ-UHFFFAOYSA-N 0 3 413.468 3.904 20 5 HHBDHN COc1ccc([C@@H](CNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])N(C)C)cc1OC ZINC000436266264 981276919 /nfs/dbraw/zinc/27/69/19/981276919.db2.gz NUIDMKASVWAZAI-CYBMUJFWSA-N 0 3 414.384 3.741 20 5 HHBDHN C[C@@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CCN1Cc1ccccc1 ZINC000437457692 982090751 /nfs/dbraw/zinc/09/07/51/982090751.db2.gz FPJKKOJHYACNOZ-MRXNPFEDSA-N 0 3 401.894 3.914 20 5 HHBDHN O=C(Nc1cccc(CN2CCC(O)CC2)c1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000438019435 982527144 /nfs/dbraw/zinc/52/71/44/982527144.db2.gz ABIWBNXJDSZZKW-UHFFFAOYSA-N 0 3 423.391 3.823 20 5 HHBDHN CN(C)CCN(Cc1cccs1)C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000438529280 982868319 /nfs/dbraw/zinc/86/83/19/982868319.db2.gz ITPTVBOWYNEALT-UHFFFAOYSA-N 0 3 412.309 3.623 20 5 HHBDHN COCCO[C@H]1CCN(Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000438552053 982892247 /nfs/dbraw/zinc/89/22/47/982892247.db2.gz HIRORGZKIJQHOZ-QFIPXVFZSA-N 0 3 422.485 3.685 20 5 HHBDHN C[C@@H](NC[C@@H](O)COc1cc(F)cc(Br)c1)c1cccc([N+](=O)[O-])c1 ZINC000439440600 983410230 /nfs/dbraw/zinc/41/02/30/983410230.db2.gz OMROPVGXIPIXRF-BDJLRTHQSA-N 0 3 413.243 3.587 20 5 HHBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000439896113 983574743 /nfs/dbraw/zinc/57/47/43/983574743.db2.gz FZCYKZSFBYKKAG-UHFFFAOYSA-N 0 3 404.442 3.728 20 5 HHBDHN COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)cc1SC ZINC000462156972 985130429 /nfs/dbraw/zinc/13/04/29/985130429.db2.gz FHCOTBPCXFYRQO-RHSMWYFYSA-N 0 3 415.515 3.576 20 5 HHBDHN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CCCC[C@@H](N2CCCC2)C1 ZINC000462288330 985275662 /nfs/dbraw/zinc/27/56/62/985275662.db2.gz JYISKFIAKLZMCY-CYBMUJFWSA-N 0 3 422.334 3.541 20 5 HHBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(OC2CCN(C)CC2)nc1 ZINC000462647546 985587856 /nfs/dbraw/zinc/58/78/56/985587856.db2.gz ZDETUMLWEHODNL-KRWDZBQOSA-N 0 3 412.490 3.670 20 5 HHBDHN CCN1CCN(c2ccc(C(=O)N(Cc3ccc([N+](=O)[O-])cc3)C(C)C)cc2)CC1 ZINC000468105355 985764946 /nfs/dbraw/zinc/76/49/46/985764946.db2.gz XYFDLOMSXSUNCZ-UHFFFAOYSA-N 0 3 410.518 3.788 20 5 HHBDHN CCOC(=O)c1csc(CCNCc2ccc(-c3ccccc3[N+](=O)[O-])o2)n1 ZINC000468596253 986306703 /nfs/dbraw/zinc/30/67/03/986306703.db2.gz KSDWGZXXUJLRFO-UHFFFAOYSA-N 0 3 401.444 3.820 20 5 HHBDHN Cc1cc(Br)ccc1CN(C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000444698906 986873509 /nfs/dbraw/zinc/87/35/09/986873509.db2.gz DHULLFNKLDOJPE-MRXNPFEDSA-N 0 3 409.280 3.537 20 5 HHBDHN COc1ccc(NC(=O)CCN2CC[C@@H](c3c(F)cccc3F)C2)c([N+](=O)[O-])c1 ZINC000469453407 987139741 /nfs/dbraw/zinc/13/97/41/987139741.db2.gz YQESLASSKQJICK-CYBMUJFWSA-N 0 3 405.401 3.700 20 5 HHBDHN CN(C)[C@H](CNc1ncnc2cccc([N+](=O)[O-])c21)c1cccc(C(F)(F)F)c1 ZINC000469544421 987216515 /nfs/dbraw/zinc/21/65/15/987216515.db2.gz IQJNKWUDFQGOET-MRXNPFEDSA-N 0 3 405.380 4.272 20 5 HHBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000463954308 988065549 /nfs/dbraw/zinc/06/55/49/988065549.db2.gz JHXISZORJSZHQG-IAGOWNOFSA-N 0 3 404.511 3.565 20 5 HHBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@H](C)c1cn(C(C)(C)C)nc1C ZINC000464599800 988781571 /nfs/dbraw/zinc/78/15/71/988781571.db2.gz DGMZTYOLWJODSN-CYBMUJFWSA-N 0 3 403.483 3.543 20 5 HHBDHN CCN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)CC1CCN(c2ccccn2)CC1 ZINC000464812341 989046442 /nfs/dbraw/zinc/04/64/42/989046442.db2.gz XBKGFGCGGXYJKA-UHFFFAOYSA-N 0 3 422.489 3.778 20 5 HHBDHN COCc1ccc([C@H]2CCCN2CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)o1 ZINC000467028923 992336935 /nfs/dbraw/zinc/33/69/35/992336935.db2.gz NZOZBCLXKCWYFY-QGZVFWFLSA-N 0 3 403.435 3.509 20 5 HHBDHN C[C@H](Cc1cccc(C(F)(F)F)c1)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000467351814 992670518 /nfs/dbraw/zinc/67/05/18/992670518.db2.gz CRSYTWDGBCJCDW-CYBMUJFWSA-N 0 3 416.421 3.608 20 5 HHBDHN C[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Br)CN1Cc1ccccc1 ZINC000467696046 992952704 /nfs/dbraw/zinc/95/27/04/992952704.db2.gz SVWQCPCKDPDADS-UKRRQHHQSA-N 0 3 418.291 3.750 20 5 HHBDHN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)cc1 ZINC000467717539 992970705 /nfs/dbraw/zinc/97/07/05/992970705.db2.gz DBQHBPQSZFKYEX-JLTOFOAXSA-N 0 3 411.458 3.608 20 5 HHBDHN Cc1csc(Sc2ccc(C(=O)N[C@H]3CN(C4CC4)C[C@H]3C)cc2[N+](=O)[O-])n1 ZINC000467719686 992972525 /nfs/dbraw/zinc/97/25/25/992972525.db2.gz DTIGAXJDSDIWRC-ABAIWWIYSA-N 0 3 418.544 3.723 20 5 HHBDHN Cc1csc(Sc2ccc(C(=O)N[C@H]3CN(C4CC4)C[C@@H]3C)cc2[N+](=O)[O-])n1 ZINC000467719688 992972811 /nfs/dbraw/zinc/97/28/11/992972811.db2.gz DTIGAXJDSDIWRC-NHYWBVRUSA-N 0 3 418.544 3.723 20 5 HHBDHN CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000472488065 993490258 /nfs/dbraw/zinc/49/02/58/993490258.db2.gz ORDLFTDDPLWDGP-GOSISDBHSA-N 0 3 416.909 3.783 20 5 HHBDHN CC(C)c1ccc(C(=O)N2CCC(CN3C[C@@H](C)O[C@@H](C)C3)CC2)cc1[N+](=O)[O-] ZINC000473180062 994045607 /nfs/dbraw/zinc/04/56/07/994045607.db2.gz BYPTWUQIIUSOOL-CALCHBBNSA-N 0 3 403.523 3.680 20 5 HHBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000481360235 994186838 /nfs/dbraw/zinc/18/68/38/994186838.db2.gz OELZUISAWZYDRW-IBGZPJMESA-N 0 3 416.478 3.815 20 5 HHBDHN Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2F)cc(N2CCN(C(C)C)CC2)c1 ZINC000481658450 994520663 /nfs/dbraw/zinc/52/06/63/994520663.db2.gz ONPDMRSDSSOOOC-UHFFFAOYSA-N 0 3 400.454 3.825 20 5 HHBDHN COc1ccc(-c2ccncc2)cc1CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000482007385 994911699 /nfs/dbraw/zinc/91/16/99/994911699.db2.gz JRVKFNLEFGHGAL-IBGZPJMESA-N 0 3 405.458 3.747 20 5 HHBDHN CCOC(=O)C[C@@H]1C[C@@H](OC)CN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000482501763 995511923 /nfs/dbraw/zinc/51/19/23/995511923.db2.gz CTIRLHPBZKMFNA-DLBZAZTESA-N 0 3 404.488 3.866 20 5 HHBDHN CCCN(Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)[C@@H]1CCCc2cccnc21 ZINC000475084340 995911240 /nfs/dbraw/zinc/91/12/40/995911240.db2.gz CPXXNZHVJOOTJT-GOSISDBHSA-N 0 3 413.474 3.831 20 5 HHBDHN CN(C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475318128 996067399 /nfs/dbraw/zinc/06/73/99/996067399.db2.gz OQDWFPHDMKJUQG-NRFANRHFSA-N 0 3 422.529 3.544 20 5 HHBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H](C)c1ccc(Br)cn1 ZINC000475511621 996191728 /nfs/dbraw/zinc/19/17/28/996191728.db2.gz VOIGZMXXTQDMEB-NEPJUHHUSA-N 0 3 407.268 3.820 20 5 HHBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1CCCC[C@H]1Oc1cccc(C)c1 ZINC000484640537 996975145 /nfs/dbraw/zinc/97/51/45/996975145.db2.gz HHDJEKSMJRRAJF-UYAOXDASSA-N 0 3 413.474 3.830 20 5 HHBDHN COc1cc([N+](=O)[O-])c(C(=O)NC[C@H](c2ccccc2)N2CCCC2)cc1SC ZINC000484959203 997336855 /nfs/dbraw/zinc/33/68/55/997336855.db2.gz NFBPTWMRZZGIML-GOSISDBHSA-N 0 3 415.515 3.892 20 5 HHBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000477607406 998324764 /nfs/dbraw/zinc/32/47/64/998324764.db2.gz ARGJIEBDYLLAQF-GJZGRUSLSA-N 0 3 409.914 3.518 20 5 HHBDHN Cc1ccc([C@@H](CNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)N2CCCC2)cc1 ZINC000486000709 998444505 /nfs/dbraw/zinc/44/45/05/998444505.db2.gz HKXDXDVRMFJRTG-HXUWFJFHSA-N 0 3 403.429 3.677 20 5 HHBDHN Cc1ccc([C@H](CNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)N2CCCC2)cc1 ZINC000486000708 998444655 /nfs/dbraw/zinc/44/46/55/998444655.db2.gz HKXDXDVRMFJRTG-FQEVSTJZSA-N 0 3 403.429 3.677 20 5 HHBDHN O=[N+]([O-])c1ccccc1/C=C\CN1C[C@H]2CCC[C@@]2(c2nc(-c3cnccn3)no2)C1 ZINC000486474450 998785782 /nfs/dbraw/zinc/78/57/82/998785782.db2.gz XPQFWYRPFNDAON-UJNIQMNXSA-N 0 3 418.457 3.502 20 5 HHBDHN CSc1cccc(C(=O)N2CCC(CCN3C[C@@H](C)O[C@H](C)C3)CC2)c1[N+](=O)[O-] ZINC000486687584 998892704 /nfs/dbraw/zinc/89/27/04/998892704.db2.gz KLBMEUNUVUABIW-HZPDHXFCSA-N 0 3 421.563 3.668 20 5 HHBDHN CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C[C@@H]1N(C)C ZINC000478448013 998964546 /nfs/dbraw/zinc/96/45/46/998964546.db2.gz IPCOGNYGDZUCPB-PKOBYXMFSA-N 0 3 401.488 3.505 20 5 HHBDHN COCCN1CCC[C@@H]1CNC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000487587673 999220008 /nfs/dbraw/zinc/22/00/08/999220008.db2.gz HAHSEQKINXEGHA-GOSISDBHSA-N 0 3 415.515 3.587 20 5 HHBDHN COC1CCN(C(C)(C)CNC(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)CC1 ZINC000488255670 999411983 /nfs/dbraw/zinc/41/19/83/999411983.db2.gz WVWXWHXUTRWZNY-UHFFFAOYSA-N 0 3 423.579 3.962 20 5 HHBDHN COC[C@@H](NCCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1ccc(Cl)cc1 ZINC000488696092 999577004 /nfs/dbraw/zinc/57/70/04/999577004.db2.gz JBXVGQKMXRBJJM-QGZVFWFLSA-N 0 3 407.854 3.563 20 5 HHBDHN C[C@@H]1[C@@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000494046868 1000282473 /nfs/dbraw/zinc/28/24/73/1000282473.db2.gz HFDVBWCWQJPRIM-DYVFJYSZSA-N 0 3 418.291 3.750 20 5 HHBDHN COc1cc(CNCCc2ccc3c(c2)CCO3)c([N+](=O)[O-])cc1OCC(F)F ZINC000494650161 1000588609 /nfs/dbraw/zinc/58/86/09/1000588609.db2.gz RZZQEJNGTUJKCB-UHFFFAOYSA-N 0 3 408.401 3.515 20 5 HHBDHN Cn1cc(CN2CCCN(Cc3ccc(F)cc3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000506282992 1001327509 /nfs/dbraw/zinc/32/75/09/1001327509.db2.gz QBTDUJNGUCSIAG-UHFFFAOYSA-N 0 3 423.492 3.842 20 5 HHBDHN C[C@H](CN1CCCCC1)NC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000506896711 1001585205 /nfs/dbraw/zinc/58/52/05/1001585205.db2.gz UZGLCUGIPQBSAA-IAGOWNOFSA-N 0 3 411.506 3.767 20 5 HHBDHN CNC(=O)[C@H]1CCC[C@@H]1NCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000498376495 1001807357 /nfs/dbraw/zinc/80/73/57/1001807357.db2.gz ZHVXYCRKEUTMRG-HOCLYGCPSA-N 0 3 422.279 3.622 20 5 HHBDHN CC(C)Oc1ccc([C@@H](CNC(=O)NCCc2ccccc2[N+](=O)[O-])N(C)C)cc1 ZINC000498384483 1001814406 /nfs/dbraw/zinc/81/44/06/1001814406.db2.gz JZVVGNLXRHLMBG-OAQYLSRUSA-N 0 3 414.506 3.527 20 5 HHBDHN CC(C)Oc1ccc([C@H](CNC(=O)NCCc2ccccc2[N+](=O)[O-])N(C)C)cc1 ZINC000498384482 1001814589 /nfs/dbraw/zinc/81/45/89/1001814589.db2.gz JZVVGNLXRHLMBG-NRFANRHFSA-N 0 3 414.506 3.527 20 5 HHBDHN CN(C)CCN(Cc1ccccc1)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000498492431 1001918265 /nfs/dbraw/zinc/91/82/65/1001918265.db2.gz GMVVHISGPFPPKF-UHFFFAOYSA-N 0 3 404.898 3.564 20 5 HHBDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000507612764 1002218577 /nfs/dbraw/zinc/21/85/77/1002218577.db2.gz ILCHREQUGDMVRY-NQIIRXRSSA-N 0 3 422.529 3.763 20 5 HHBDHN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000507613577 1002219711 /nfs/dbraw/zinc/21/97/11/1002219711.db2.gz SFYALWSKZYHUJX-INIZCTEOSA-N 0 3 407.474 3.877 20 5 HHBDHN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000498935670 1002334118 /nfs/dbraw/zinc/33/41/18/1002334118.db2.gz LRMFGYDMEYUOIO-DOMZBBRYSA-N 0 3 409.450 3.581 20 5 HHBDHN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000498935670 1002334132 /nfs/dbraw/zinc/33/41/32/1002334132.db2.gz LRMFGYDMEYUOIO-DOMZBBRYSA-N 0 3 409.450 3.581 20 5 HHBDHN CC[C@@H](NC(=O)N[C@H](CN(C)C)c1ccc(OC)cc1)c1cccc([N+](=O)[O-])c1 ZINC000499099161 1002489729 /nfs/dbraw/zinc/48/97/29/1002489729.db2.gz IBYGMBOLJFSVCO-WOJBJXKFSA-N 0 3 400.479 3.657 20 5 HHBDHN O=C(c1ccc([N+](=O)[O-])[nH]1)N(CCN1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000499385633 1002776229 /nfs/dbraw/zinc/77/62/29/1002776229.db2.gz VBLSTWFSKHKEMF-UHFFFAOYSA-N 0 3 411.289 3.968 20 5 HHBDHN CN(CCc1cnccn1)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000508642222 1003091025 /nfs/dbraw/zinc/09/10/25/1003091025.db2.gz VZWHXCRXIQMMBA-UHFFFAOYSA-N 0 3 414.469 3.912 20 5 HHBDHN NC(=O)CC1CCN(Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000508680618 1003119185 /nfs/dbraw/zinc/11/91/85/1003119185.db2.gz QDPJKQAHVVCCOU-UHFFFAOYSA-N 0 3 419.485 3.535 20 5 HHBDHN C[C@H](N[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)[C@H]1CCOC1 ZINC000500214489 1003556634 /nfs/dbraw/zinc/55/66/34/1003556634.db2.gz AEHXWJXINRVNSX-RFUYNDQBSA-N 0 3 403.866 3.943 20 5 HHBDHN CCOc1ccc(C(=O)N[C@H](CN2CCCC2)c2ccc(OC)cc2)cc1[N+](=O)[O-] ZINC000500429119 1003711337 /nfs/dbraw/zinc/71/13/37/1003711337.db2.gz ZYVAFNIYCDEDMG-LJQANCHMSA-N 0 3 413.474 3.569 20 5 HHBDHN Cc1ccc(CN(CCN(C)C)C(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)o1 ZINC000509700770 1004037901 /nfs/dbraw/zinc/03/79/01/1004037901.db2.gz SOOJOWSPRZLJSA-UHFFFAOYSA-N 0 3 424.295 3.771 20 5 HHBDHN C[C@@H](NC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1)C1=CCN(C)CC1 ZINC000512126549 1004041537 /nfs/dbraw/zinc/04/15/37/1004041537.db2.gz BLQYAUUXIUFGSP-CVEARBPZSA-N 0 3 409.490 3.543 20 5 HHBDHN O=[N+]([O-])c1ccn(CCN2CCC[C@@H](Cc3nc(C4CCCCCC4)no3)C2)n1 ZINC000510806030 1004864349 /nfs/dbraw/zinc/86/43/49/1004864349.db2.gz FKTYFZRWKAQIRT-INIZCTEOSA-N 0 3 402.499 3.567 20 5 HHBDHN COc1ccccc1O[C@H]1CCCN(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000513360348 1004925507 /nfs/dbraw/zinc/92/55/07/1004925507.db2.gz AEKSALQNFXZMRP-KRWDZBQOSA-N 0 3 413.474 3.784 20 5 HHBDHN C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(C[N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])cc2)C1 ZINC000511047684 1004996392 /nfs/dbraw/zinc/99/63/92/1004996392.db2.gz PMWQRAKCGHRGBU-CALCHBBNSA-N 0 3 417.531 3.551 20 5 HHBDHN C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])cc2)C1 ZINC000511047684 1004996395 /nfs/dbraw/zinc/99/63/95/1004996395.db2.gz PMWQRAKCGHRGBU-CALCHBBNSA-N 0 3 417.531 3.551 20 5 HHBDHN CCc1cc(N2CCC(NCc3csc(-c4cccc([N+](=O)[O-])c4)n3)CC2)ncn1 ZINC000531121335 1006004715 /nfs/dbraw/zinc/00/47/15/1006004715.db2.gz ICJURMPIBPQBCU-UHFFFAOYSA-N 0 3 424.530 3.829 20 5 HHBDHN CCOc1ccc([C@H](C)N[C@H](C)[C@@H]2CN(Cc3ccccc3)CCO2)cc1[N+](=O)[O-] ZINC000534329307 1006302034 /nfs/dbraw/zinc/30/20/34/1006302034.db2.gz XWODQJKXNKGIQQ-IXFSTUDKSA-N 0 3 413.518 3.934 20 5 HHBDHN COc1cc(CNCCc2ncc(C)cn2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000538421370 1006689334 /nfs/dbraw/zinc/68/93/34/1006689334.db2.gz RMBIVSAYIWHFHK-UHFFFAOYSA-N 0 3 408.458 3.613 20 5 HHBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCCNC(=O)c1ccc(Br)cc1 ZINC000532194809 1006712846 /nfs/dbraw/zinc/71/28/46/1006712846.db2.gz LLOJZXKELUEXNJ-ZDUSSCGKSA-N 0 3 406.280 3.746 20 5 HHBDHN C[C@@H](CCNCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)[S@](C)=O ZINC000532468279 1006906900 /nfs/dbraw/zinc/90/69/00/1006906900.db2.gz LUCXBAVDCQHMJC-BUBHHJDNSA-N 0 3 415.309 3.864 20 5 HHBDHN CC1CCC(OC2CCN(CCCn3c4cc([N+](=O)[O-])ccc4oc3=O)CC2)CC1 ZINC000532553621 1006985510 /nfs/dbraw/zinc/98/55/10/1006985510.db2.gz XBASLPGXDZRTFD-UHFFFAOYSA-N 0 3 417.506 3.953 20 5 HHBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3CCN(C4CCOCC4)CC3)o2)c(Cl)c1 ZINC000538716794 1006989747 /nfs/dbraw/zinc/98/97/47/1006989747.db2.gz AQUPFJLGTRKNKH-UHFFFAOYSA-N 0 3 405.882 3.805 20 5 HHBDHN O=[N+]([O-])c1cc(CN2CC[C@@H](CN3CCOCC3)C2)ccc1Oc1ccc(F)cc1 ZINC000538734595 1007016007 /nfs/dbraw/zinc/01/60/07/1007016007.db2.gz OUOPVIYWOIVUIQ-SFHVURJKSA-N 0 3 415.465 3.680 20 5 HHBDHN CN(c1ccccc1)c1ccc(CN2CC[C@@H](CN3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000538734556 1007016670 /nfs/dbraw/zinc/01/66/70/1007016670.db2.gz KPXVNBGAIOVHSX-FQEVSTJZSA-N 0 3 410.518 3.517 20 5 HHBDHN Cn1cc(CNc2ccccc2CN2CCC(O)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000538820329 1007095700 /nfs/dbraw/zinc/09/57/00/1007095700.db2.gz GRKQYWJDAHVYQT-UHFFFAOYSA-N 0 3 421.501 3.564 20 5 HHBDHN CNc1ccc(C(=O)Nc2ccnn2[C@H]2CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000532943056 1007313607 /nfs/dbraw/zinc/31/36/07/1007313607.db2.gz DKZZRZFDSBKTCA-SFHVURJKSA-N 0 3 420.473 3.532 20 5 HHBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000539931909 1008190815 /nfs/dbraw/zinc/19/08/15/1008190815.db2.gz PLXCRYHJLVJUQE-UHFFFAOYSA-N 0 3 411.502 3.774 20 5 HHBDHN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000533938446 1008219593 /nfs/dbraw/zinc/21/95/93/1008219593.db2.gz TWPXFYUDOCXKJE-QGZVFWFLSA-N 0 3 406.486 3.742 20 5 HHBDHN O=[N+]([O-])c1ccccc1-c1ccc(CNC[C@H]2CN(Cc3ccccc3)CCO2)o1 ZINC000518768881 1008417132 /nfs/dbraw/zinc/41/71/32/1008417132.db2.gz JPDRLFYJNOYQGB-FQEVSTJZSA-N 0 3 407.470 3.845 20 5 HHBDHN Cc1cc(N2CC[C@H](N3CCN(C(C)C)CC3)C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000518799577 1008424585 /nfs/dbraw/zinc/42/45/85/1008424585.db2.gz JYZXNQPYBPTDOV-HNNXBMFYSA-N 0 3 400.445 3.527 20 5 HHBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC000543232062 1008799086 /nfs/dbraw/zinc/79/90/86/1008799086.db2.gz MJRNKXZVYTVPTD-FQEVSTJZSA-N 0 3 412.490 3.548 20 5 HHBDHN COc1cc(CN[C@H](C)[C@H]2COc3ccccc32)c([N+](=O)[O-])cc1OCC(F)F ZINC000543553724 1009158196 /nfs/dbraw/zinc/15/81/96/1009158196.db2.gz VEXVPBFZENYMID-IUODEOHRSA-N 0 3 408.401 3.902 20 5 HHBDHN O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CCC(CCN3CCOCC3)CC2)c1 ZINC000549798933 1009406459 /nfs/dbraw/zinc/40/64/59/1009406459.db2.gz YLAJZRTUUCNEML-UHFFFAOYSA-N 0 3 401.429 3.548 20 5 HHBDHN Cc1ccc(CN(CCN(C)C)C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000544082768 1009689845 /nfs/dbraw/zinc/68/98/45/1009689845.db2.gz QPFGZXBFFCFBDQ-UHFFFAOYSA-N 0 3 411.911 3.832 20 5 HHBDHN CCO[C@@H]1C[C@@H](NCc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)[C@]12CCCO2 ZINC000545353514 1010745119 /nfs/dbraw/zinc/74/51/19/1010745119.db2.gz NLSUVAXNTFZAAJ-NJDAHSKKSA-N 0 3 402.447 3.680 20 5 HHBDHN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NCCCN1CCc2ccccc2C1 ZINC000522651166 1011138427 /nfs/dbraw/zinc/13/84/27/1011138427.db2.gz ALZFDCHQKDGTEA-UHFFFAOYSA-N 0 3 417.893 3.582 20 5 HHBDHN Cc1ccc(CN2CCCN(C(=O)CN[C@H](C)c3ccc(C)c([N+](=O)[O-])c3)CC2)cc1 ZINC000540590517 1011245774 /nfs/dbraw/zinc/24/57/74/1011245774.db2.gz IPGNTBYHUSVSJP-HXUWFJFHSA-N 0 3 424.545 3.597 20 5 HHBDHN CCN(CC)[C@@H](CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccsc1 ZINC000536167477 1011297925 /nfs/dbraw/zinc/29/79/25/1011297925.db2.gz NWJMXQUCQRVPSS-IBGZPJMESA-N 0 3 400.504 3.879 20 5 HHBDHN O=C(NC1CCN(CCOc2ccc(Cl)cc2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000522902216 1011346226 /nfs/dbraw/zinc/34/62/26/1011346226.db2.gz AVDHPMDGHBVXAQ-UHFFFAOYSA-N 0 3 421.856 3.661 20 5 HHBDHN COc1ccc(CN2CCC[C@@H]([C@@H](C)O)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000540961720 1011603222 /nfs/dbraw/zinc/60/32/22/1011603222.db2.gz GEJFMCZYSMEKLX-VQIMIIECSA-N 0 3 400.475 3.775 20 5 HHBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000541021864 1011655386 /nfs/dbraw/zinc/65/53/86/1011655386.db2.gz QUPDBKNOSBCPGG-KRWDZBQOSA-N 0 3 411.380 3.574 20 5 HHBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000541280966 1011974080 /nfs/dbraw/zinc/97/40/80/1011974080.db2.gz ANHHCPBLRJNCFF-IAGOWNOFSA-N 0 3 420.893 3.779 20 5 HHBDHN COc1ccc2oc([C@@H](C)NC[C@H](O)COc3cccc([N+](=O)[O-])c3)c(C)c2c1 ZINC000541652564 1012475414 /nfs/dbraw/zinc/47/54/14/1012475414.db2.gz XPXBQVDMTIEDIT-ZBFHGGJFSA-N 0 3 400.431 3.749 20 5 HHBDHN COc1ccc2oc([C@@H](C)NC[C@@H](O)COc3cccc([N+](=O)[O-])c3)c(C)c2c1 ZINC000541652561 1012476037 /nfs/dbraw/zinc/47/60/37/1012476037.db2.gz XPXBQVDMTIEDIT-GDBMZVCRSA-N 0 3 400.431 3.749 20 5 HHBDHN C[C@H](C(=O)Nc1cccc(CN2CCC(CO)CC2)c1)c1ccc([N+](=O)[O-])cc1F ZINC000541725842 1012576701 /nfs/dbraw/zinc/57/67/01/1012576701.db2.gz FSYTUSCEWPUNKI-HNNXBMFYSA-N 0 3 415.465 3.680 20 5 HHBDHN Cc1cc(S(=O)(=O)N(C)[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000524122229 1012899442 /nfs/dbraw/zinc/89/94/42/1012899442.db2.gz JPNUPPQPHZIYIT-HKUYNNGSSA-N 0 3 417.531 3.577 20 5 HHBDHN CN(C)Cc1ccc(-c2noc(-c3ccn(-c4ccc([N+](=O)[O-])cc4F)n3)n2)cc1 ZINC000904623501 1071817436 /nfs/dbraw/zinc/81/74/36/1071817436.db2.gz GTAPTEMDRYDKPN-UHFFFAOYSA-N 0 3 408.393 3.698 20 5 HHBDHN C[C@@H](C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000571493307 1072640187 /nfs/dbraw/zinc/64/01/87/1072640187.db2.gz KTVREZYGBKCYSI-IIBYNOLFSA-N 0 3 424.501 3.503 20 5 HHBDHN O=[N+]([O-])c1ccc(OCCCN[C@H](CO)c2ccc(Br)c(F)c2)cc1 ZINC000590021376 1073474553 /nfs/dbraw/zinc/47/45/53/1073474553.db2.gz RCDOOGLSUIIKBT-QGZVFWFLSA-N 0 3 413.243 3.589 20 5 HHBDHN CC[C@@H]1CN(C)CCCN1C(=O)c1ccc(N2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000590536844 1073914123 /nfs/dbraw/zinc/91/41/23/1073914123.db2.gz BFWBJQHMYPEWAI-JENIJYKNSA-N 0 3 402.539 3.633 20 5 HHBDHN CNC(=O)CN1CCCC12CCN(c1ccc3ccc4ccc(Cl)nc4c3n1)CC2 ZINC001164687340 719719987 /nfs/dbraw/zinc/71/99/87/719719987.db2.gz WGLUTVLBXBREJM-UHFFFAOYSA-N 0 3 423.948 3.617 20 5 HHBDHN CN(c1ccc([N+](=O)[O-])cc1Br)C1CCN(CCc2ccccn2)CC1 ZINC000302704792 971285295 /nfs/dbraw/zinc/28/52/95/971285295.db2.gz YESMOOWFHIMKFE-UHFFFAOYSA-N 0 3 419.323 3.896 20 5 HHBDHN O=C(CCN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)Nc1cccc2ccccc21 ZINC000303663799 971942763 /nfs/dbraw/zinc/94/27/63/971942763.db2.gz DVMYEIHWPDKSDM-KRWDZBQOSA-N 0 3 405.458 3.658 20 5 HHBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000303827742 972363619 /nfs/dbraw/zinc/36/36/19/972363619.db2.gz QHFBLGPEPNPXFS-HKUYNNGSSA-N 0 3 417.531 3.577 20 5 HHBDHN COc1ccc([C@@H](CN2CCCC2)NC(=O)CSc2ccc([N+](=O)[O-])cc2)cc1 ZINC000537729216 1013290377 /nfs/dbraw/zinc/29/03/77/1013290377.db2.gz CYMMVRDSJAMEJY-HXUWFJFHSA-N 0 3 415.515 3.649 20 5 HHBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC(C(=O)c2ccccc2)CC1 ZINC000025056790 964156874 /nfs/dbraw/zinc/15/68/74/964156874.db2.gz ZIFSEMDQLYUCQZ-UHFFFAOYSA-N 0 3 411.458 3.527 20 5 HHBDHN COc1cc(CN(C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)ccc1OC(F)F ZINC000026225325 964492316 /nfs/dbraw/zinc/49/23/16/964492316.db2.gz HFJSAKJOXALOTI-UHFFFAOYSA-N 0 3 423.416 3.974 20 5 HHBDHN COc1ccc2oc([C@@H](C)NC[C@@H](O)COc3ccccc3[N+](=O)[O-])c(C)c2c1 ZINC000542582181 1013523418 /nfs/dbraw/zinc/52/34/18/1013523418.db2.gz FCXDHYQOHMVZOR-HUUCEWRRSA-N 0 3 400.431 3.749 20 5 HHBDHN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000537946390 1013529029 /nfs/dbraw/zinc/52/90/29/1013529029.db2.gz CWOUTJMEWXWSPO-SJCJKPOMSA-N 0 3 411.380 3.654 20 5 HHBDHN O=[N+]([O-])c1ccccc1C[C@H](NCCS(=O)(=O)c1ccc(Cl)cc1)C1CC1 ZINC000537965863 1013543035 /nfs/dbraw/zinc/54/30/35/1013543035.db2.gz IBXYZMVKSSRNFR-SFHVURJKSA-N 0 3 408.907 3.633 20 5 HHBDHN CCN(CC)[C@@H](CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)c1ccsc1 ZINC000032666787 966306683 /nfs/dbraw/zinc/30/66/83/966306683.db2.gz IFZXPHADQJBZMQ-IBGZPJMESA-N 0 3 413.503 3.655 20 5 HHBDHN CC(C)NS(=O)(=O)Cc1ccc(CNCc2ccc(C(C)C)c([N+](=O)[O-])c2)cc1 ZINC000063549826 966887854 /nfs/dbraw/zinc/88/78/54/966887854.db2.gz NUKNEPQVNVWMDU-UHFFFAOYSA-N 0 3 419.547 3.836 20 5 HHBDHN CC(C)Oc1ccc([C@@H](CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)N(C)C)cc1 ZINC000554015079 1013754443 /nfs/dbraw/zinc/75/44/43/1013754443.db2.gz JWRDVNXXMOAABM-JOCHJYFZSA-N 0 3 424.501 3.756 20 5 HHBDHN C[C@@H]1C[C@H]1N1CCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H](C)C1 ZINC000554111864 1013803319 /nfs/dbraw/zinc/80/33/19/1013803319.db2.gz JAVHGMVVIKCMBR-PMUMKWKESA-N 0 3 400.504 3.521 20 5 HHBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N[C@@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000538269206 1013809839 /nfs/dbraw/zinc/80/98/39/1013809839.db2.gz VPOMLQOEZVRNBT-LSDHHAIUSA-N 0 3 423.473 3.775 20 5 HHBDHN CCc1ccc([C@H](CNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)N(C)C)cc1 ZINC000069233309 968822689 /nfs/dbraw/zinc/82/26/89/968822689.db2.gz HVPSPZAMQXUPGT-QFIPXVFZSA-N 0 3 410.518 3.790 20 5 HHBDHN CC1CCN([C@H](CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c2ccccc2)CC1 ZINC000072006496 968928744 /nfs/dbraw/zinc/92/87/44/968928744.db2.gz ZFLKFWVQUPCPIE-HXUWFJFHSA-N 0 3 412.446 3.706 20 5 HHBDHN CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC/C=C\c2ccccc2[N+](=O)[O-])cc1 ZINC000538313938 1013844641 /nfs/dbraw/zinc/84/46/41/1013844641.db2.gz WHTJJKMETODPHO-PXAMLJHWSA-N 0 3 417.531 3.989 20 5 HHBDHN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCCN(Cc2ccccc2)CC1 ZINC000105521170 969243437 /nfs/dbraw/zinc/24/34/37/969243437.db2.gz NECXFMXIGPMIAD-MRXNPFEDSA-N 0 3 416.909 3.783 20 5 HHBDHN CCOc1ccc([C@H](C)N[C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000554376452 1013925119 /nfs/dbraw/zinc/92/51/19/1013925119.db2.gz QUZSYRGJGLEKMK-DZGCQCFKSA-N 0 3 417.428 3.978 20 5 HHBDHN CC(C)(CCS(C)(=O)=O)NCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000236591443 970144203 /nfs/dbraw/zinc/14/42/03/970144203.db2.gz FEXGBYMJBZDFNU-UHFFFAOYSA-N 0 3 400.884 3.811 20 5 HHBDHN CC1CCN(c2ccc(CNCc3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)cn2)CC1 ZINC000236735476 970166197 /nfs/dbraw/zinc/16/61/97/970166197.db2.gz XPVZMEHKJSXGNX-UHFFFAOYSA-N 0 3 420.517 3.916 20 5 HHBDHN CS[C@@H](CO)[C@H](C)NCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000237410208 970280644 /nfs/dbraw/zinc/28/06/44/970280644.db2.gz USSOMCRYLPTOKO-QFYYESIMSA-N 0 3 415.309 3.819 20 5 HHBDHN CS[C@H](CO)[C@H](C)NCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000237421468 970282592 /nfs/dbraw/zinc/28/25/92/970282592.db2.gz USSOMCRYLPTOKO-MGPLVRAMSA-N 0 3 415.309 3.819 20 5 HHBDHN Cn1cc(CNCc2ccc(-n3ccnc3)c(F)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237778729 970364731 /nfs/dbraw/zinc/36/47/31/970364731.db2.gz VTQRDLLOPIWFNJ-UHFFFAOYSA-N 0 3 406.421 3.610 20 5 HHBDHN Cc1ccc([C@@H](CNCc2ccc(-c3ccccc3[N+](=O)[O-])o2)N2CCOCC2)o1 ZINC000237974999 970408920 /nfs/dbraw/zinc/40/89/20/970408920.db2.gz PQJKBLZDHWESJI-HXUWFJFHSA-N 0 3 411.458 3.919 20 5 HHBDHN CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000410046176 973527297 /nfs/dbraw/zinc/52/72/97/973527297.db2.gz BYFJFFRQAVGERZ-OAQYLSRUSA-N 0 3 411.502 3.563 20 5 HHBDHN C[C@H]1CN(CCC2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3Cl)CC2)C[C@H](C)O1 ZINC000427297928 975033826 /nfs/dbraw/zinc/03/38/26/975033826.db2.gz XZEHWAAEOJKOHZ-HOTGVXAUSA-N 0 3 423.941 3.529 20 5 HHBDHN CCc1ccc(C(=O)N2CCC(CCN3C[C@@H](C)O[C@@H](C)C3)CC2)cc1[N+](=O)[O-] ZINC000427342970 975066058 /nfs/dbraw/zinc/06/60/58/975066058.db2.gz UDSQUOXEDFKFRW-CALCHBBNSA-N 0 3 403.523 3.509 20 5 HHBDHN O=[N+]([O-])c1ccc(CNC[C@@H](CO)Cc2ccc(Br)cc2)c(Cl)c1 ZINC000428548423 975856910 /nfs/dbraw/zinc/85/69/10/975856910.db2.gz NULMFWWWQWKOFV-ZDUSSCGKSA-N 0 3 413.699 3.952 20 5 HHBDHN COc1cc(CNC[C@@]2(Cc3ccc(F)cc3)CCC[C@@H]2O)c([N+](=O)[O-])cc1OC ZINC000428568088 975878908 /nfs/dbraw/zinc/87/89/08/975878908.db2.gz CQJMXMRJFAELPD-VXKWHMMOSA-N 0 3 418.465 3.615 20 5 HHBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000429220282 976514319 /nfs/dbraw/zinc/51/43/19/976514319.db2.gz NGDIAXYFEBEXOZ-CALCHBBNSA-N 0 3 404.511 3.646 20 5 HHBDHN O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000429929947 977206432 /nfs/dbraw/zinc/20/64/32/977206432.db2.gz UDQJSOXFDBIOOB-UHFFFAOYSA-N 0 3 418.291 3.752 20 5 HHBDHN CC(C)N1CCN(c2ccc(C(=O)NC(C)(C)c3ccc([N+](=O)[O-])cc3)cc2)CC1 ZINC000430553945 977628437 /nfs/dbraw/zinc/62/84/37/977628437.db2.gz FJQWBHLGNOQKIX-UHFFFAOYSA-N 0 3 410.518 3.790 20 5 HHBDHN CCOc1cc(CN2CC(C)=C[C@H](C)C2)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000430869128 977832643 /nfs/dbraw/zinc/83/26/43/977832643.db2.gz PMCZBLSHXMKGPM-INIZCTEOSA-N 0 3 414.506 3.975 20 5 HHBDHN CNC(=O)[C@H](Cc1c[nH]c2ccccc12)N[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433256644 979190134 /nfs/dbraw/zinc/19/01/34/979190134.db2.gz BAVMEKMQHNSWLD-SFTDATJTSA-N 0 3 406.486 3.745 20 5 HHBDHN Cc1cc(NC(=O)Cc2cccc([N+](=O)[O-])c2)n([C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000435288490 980761414 /nfs/dbraw/zinc/76/14/14/980761414.db2.gz KKDCMRCGNPGOGZ-OAQYLSRUSA-N 0 3 419.485 3.728 20 5 HHBDHN O=[N+]([O-])c1cnc(C(F)(F)F)cc1NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000436362013 981325301 /nfs/dbraw/zinc/32/53/01/981325301.db2.gz IEDWZCSDWZGQNU-OAHLLOKOSA-N 0 3 410.396 3.712 20 5 HHBDHN C[C@@H]1CN(CCC2CCN(c3cc(C(F)(F)F)ncc3[N+](=O)[O-])CC2)C[C@@H](C)O1 ZINC000436403570 981350564 /nfs/dbraw/zinc/35/05/64/981350564.db2.gz JAYBDKSFBFAPNH-ZIAGYGMSSA-N 0 3 416.444 3.724 20 5 HHBDHN COc1cc(CNC[C@]2(O)CCCC(C)(C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000438365418 982748273 /nfs/dbraw/zinc/74/82/73/982748273.db2.gz QYHUHXUQIKHFPT-IBGZPJMESA-N 0 3 402.438 3.668 20 5 HHBDHN CN(C)CCN(Cc1cccs1)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000438455973 982808304 /nfs/dbraw/zinc/80/83/04/982808304.db2.gz DHMWKDSLFYSYMJ-UHFFFAOYSA-N 0 3 416.528 3.984 20 5 HHBDHN CC[C@H]1CN(c2ccccc2)CCN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000461375317 983049419 /nfs/dbraw/zinc/04/94/19/983049419.db2.gz KJBULSOBXKBOTI-KRWDZBQOSA-N 0 3 412.490 3.533 20 5 HHBDHN CO[C@@]1(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CCOC1 ZINC000461424624 983087597 /nfs/dbraw/zinc/08/75/97/983087597.db2.gz HTMCUKCEAZPRCA-QGZVFWFLSA-N 0 3 411.252 3.512 20 5 HHBDHN C[C@@H](NCc1ccccc1CN(C)Cc1ccco1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000439601009 983466674 /nfs/dbraw/zinc/46/66/74/983466674.db2.gz ZHBFFAIRLFUEDF-QGZVFWFLSA-N 0 3 422.485 3.937 20 5 HHBDHN O=C(CCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)Nc1c(Cl)cccc1Cl ZINC000440496119 983776340 /nfs/dbraw/zinc/77/63/40/983776340.db2.gz QWUQQTMQGFNSSU-GFCCVEGCSA-N 0 3 424.288 3.812 20 5 HHBDHN COCCN1CCC(NC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])CC1 ZINC000441821039 984476529 /nfs/dbraw/zinc/47/65/29/984476529.db2.gz MCAMYRDHNKRBQR-UHFFFAOYSA-N 0 3 415.515 3.587 20 5 HHBDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000463271676 986238081 /nfs/dbraw/zinc/23/80/81/986238081.db2.gz HIXKGIAEKKQCSE-HTAPYJJXSA-N 0 3 408.502 3.789 20 5 HHBDHN CC1CCN([C@@H](CNC(=O)CN(C)c2ccccc2[N+](=O)[O-])c2cccs2)CC1 ZINC000463453242 986433991 /nfs/dbraw/zinc/43/39/91/986433991.db2.gz FZFPSVKKVYWYCH-IBGZPJMESA-N 0 3 416.547 3.682 20 5 HHBDHN COc1ccc(CNC(=O)N[C@@H](CN(C)Cc2ccccc2)C(C)C)cc1[N+](=O)[O-] ZINC000470078013 987977029 /nfs/dbraw/zinc/97/70/29/987977029.db2.gz CXKHPFXHTLVNDY-IBGZPJMESA-N 0 3 414.506 3.559 20 5 HHBDHN CC(C)N1CCN(CCCSc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000470447629 988425186 /nfs/dbraw/zinc/42/51/86/988425186.db2.gz CESZLWMWSWTSNB-UHFFFAOYSA-N 0 3 402.358 3.866 20 5 HHBDHN O=C(CCN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)Nc1cc(F)cc(F)c1 ZINC000464772013 988996121 /nfs/dbraw/zinc/99/61/21/988996121.db2.gz DZSNRKLHIHWDNA-UHFFFAOYSA-N 0 3 405.401 3.745 20 5 HHBDHN C[C@H]1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CCN1Cc1ccccc1 ZINC000464836558 989079412 /nfs/dbraw/zinc/07/94/12/989079412.db2.gz KMKJEHGJPOJCPM-KRWDZBQOSA-N 0 3 407.474 3.741 20 5 HHBDHN Cc1[nH]c2ccccc2c1C1=CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000471163061 989282533 /nfs/dbraw/zinc/28/25/33/989282533.db2.gz YBGREPYGGCSDIX-IBGZPJMESA-N 0 3 407.470 3.914 20 5 HHBDHN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000466564896 991879433 /nfs/dbraw/zinc/87/94/33/991879433.db2.gz SNSBVYGNRUJPLD-IBGZPJMESA-N 0 3 402.882 3.885 20 5 HHBDHN CCOc1cc(NC(=O)N(CCN(C)C)C2CCCC2)c([N+](=O)[O-])cc1OCC ZINC000467446888 992742302 /nfs/dbraw/zinc/74/23/02/992742302.db2.gz GGHQYQNMKHEHFJ-UHFFFAOYSA-N 0 3 408.499 3.730 20 5 HHBDHN C[C@H]1C[C@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])CN1Cc1ccccc1 ZINC000467687990 992944121 /nfs/dbraw/zinc/94/41/21/992944121.db2.gz KEAIPDJNDWIVRO-BBRMVZONSA-N 0 3 418.291 3.750 20 5 HHBDHN CN(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000472460215 993462507 /nfs/dbraw/zinc/46/25/07/993462507.db2.gz SOCXZXUIIFCEBV-HXUWFJFHSA-N 0 3 407.474 3.741 20 5 HHBDHN O=C(NC[C@H]1CCN(Cc2ccccc2)C1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000473313325 994174269 /nfs/dbraw/zinc/17/42/69/994174269.db2.gz WXSHCZWDUNEUQD-LJQANCHMSA-N 0 3 411.505 3.933 20 5 HHBDHN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000473523509 994379853 /nfs/dbraw/zinc/37/98/53/994379853.db2.gz NDPFVJUETPVZAB-UHFFFAOYSA-N 0 3 424.423 3.540 20 5 HHBDHN Cc1cc(NC(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])cc(N2CCN(C(C)C)CC2)c1 ZINC000482031321 994948030 /nfs/dbraw/zinc/94/80/30/994948030.db2.gz MNCAPLPDQGIVHL-UHFFFAOYSA-N 0 3 414.510 3.532 20 5 HHBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000477074799 997725636 /nfs/dbraw/zinc/72/56/36/997725636.db2.gz LPQLFQNECUZKDH-JMGYQRAPSA-N 0 3 403.504 3.662 20 5 HHBDHN CCOc1ccccc1NC(=O)CCN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000485440686 997882001 /nfs/dbraw/zinc/88/20/01/997882001.db2.gz PZFODBNMMZQYEK-UHFFFAOYSA-N 0 3 413.474 3.866 20 5 HHBDHN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000477725471 998455219 /nfs/dbraw/zinc/45/52/19/998455219.db2.gz ZWLLOVSFINIQCX-UHFFFAOYSA-N 0 3 417.893 3.634 20 5 HHBDHN CSc1cccc(C(=O)N(CCN(C)C)Cc2ccc(F)c(F)c2)c1[N+](=O)[O-] ZINC000486242850 998670826 /nfs/dbraw/zinc/67/08/26/998670826.db2.gz OXKUTZBRMQSJFP-UHFFFAOYSA-N 0 3 409.458 3.799 20 5 HHBDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000486300801 998702439 /nfs/dbraw/zinc/70/24/39/998702439.db2.gz VAALPIALYZLJJM-DNVCBOLYSA-N 0 3 416.909 3.925 20 5 HHBDHN CSc1cccc(C(=O)N2CCC(CCN3C[C@H](C)O[C@@H](C)C3)CC2)c1[N+](=O)[O-] ZINC000486687581 998892950 /nfs/dbraw/zinc/89/29/50/998892950.db2.gz KLBMEUNUVUABIW-HOTGVXAUSA-N 0 3 421.563 3.668 20 5 HHBDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000487713652 999262238 /nfs/dbraw/zinc/26/22/38/999262238.db2.gz CNPJEBGWWBGTMU-DZGCQCFKSA-N 0 3 405.401 3.762 20 5 HHBDHN Cc1ccc([C@H](C)NC(=O)c2ccc(N3CCN(C(C)C)CC3)cc2)cc1[N+](=O)[O-] ZINC000488065783 999364866 /nfs/dbraw/zinc/36/48/66/999364866.db2.gz NTJVQSGUVWERMF-SFHVURJKSA-N 0 3 410.518 3.925 20 5 HHBDHN O=C(NCCCN1CCc2ccccc2C1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000489841968 999847720 /nfs/dbraw/zinc/84/77/20/999847720.db2.gz MOTOJEMGHMTWSS-UHFFFAOYSA-N 0 3 408.502 3.717 20 5 HHBDHN COC[C@H](c1ccc(Cl)cc1)N(C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000490073822 999889230 /nfs/dbraw/zinc/88/92/30/999889230.db2.gz GSCCJUQIWLFSOQ-GOSISDBHSA-N 0 3 421.881 3.905 20 5 HHBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000490980435 1000030183 /nfs/dbraw/zinc/03/01/83/1000030183.db2.gz JHVZFDSSNYADAH-UHFFFAOYSA-N 0 3 414.531 3.850 20 5 HHBDHN Cc1ccc([C@H](C)NC(=O)N(Cc2ccco2)C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000493107439 1000158061 /nfs/dbraw/zinc/15/80/61/1000158061.db2.gz RRPFYBDTZJUZPO-INIZCTEOSA-N 0 3 400.479 3.863 20 5 HHBDHN C[C@H]1[C@@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC000494013671 1000267217 /nfs/dbraw/zinc/26/72/17/1000267217.db2.gz AEJAWTNBXUQOPX-PXNSSMCTSA-N 0 3 408.502 3.588 20 5 HHBDHN CCOc1ccc([C@H](C)NC[C@@H](c2ccc(C)o2)N2CCOCC2)cc1[N+](=O)[O-] ZINC000504921900 1000449696 /nfs/dbraw/zinc/44/96/96/1000449696.db2.gz VYZKVQOTZRYGDR-LPHOPBHVSA-N 0 3 403.479 3.619 20 5 HHBDHN C[C@@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])[C@@H](c1ccccc1)N(C)C ZINC000505582558 1000919948 /nfs/dbraw/zinc/91/99/48/1000919948.db2.gz VMEYNRZFMVZGAE-PXAZEXFGSA-N 0 3 406.280 3.779 20 5 HHBDHN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000505637105 1000948010 /nfs/dbraw/zinc/94/80/10/1000948010.db2.gz QUCWQAKKCGSVCG-NJSLBKSFSA-N 0 3 405.882 3.823 20 5 HHBDHN CNC(=O)C1CCN(Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 ZINC000506282324 1001326928 /nfs/dbraw/zinc/32/69/28/1001326928.db2.gz VTEHYXHQEGWFTA-UHFFFAOYSA-N 0 3 403.866 3.999 20 5 HHBDHN COc1ccc(-c2ccc(CN(CCC(N)=O)Cc3ccccc3)o2)c([N+](=O)[O-])c1 ZINC000506307074 1001342939 /nfs/dbraw/zinc/34/29/39/1001342939.db2.gz DVYXARCWEPDEJA-UHFFFAOYSA-N 0 3 409.442 3.741 20 5 HHBDHN C[C@H]1C[C@H](CCNc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])CN1Cc1ccccc1 ZINC000497539238 1001426211 /nfs/dbraw/zinc/42/62/11/1001426211.db2.gz BGPQMYGYROAFSD-WMZOPIPTSA-N 0 3 417.531 3.711 20 5 HHBDHN CCCNC(=O)C1CCN(Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)CC1 ZINC000506673816 1001489980 /nfs/dbraw/zinc/48/99/80/1001489980.db2.gz IMQHPVOVLIBKTO-UHFFFAOYSA-N 0 3 401.463 3.602 20 5 HHBDHN CCN(CC)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)c1cccc(OC)c1 ZINC000497895710 1001554748 /nfs/dbraw/zinc/55/47/48/1001554748.db2.gz NCJQSYHKKAQDBX-NRFANRHFSA-N 0 3 422.485 3.965 20 5 HHBDHN CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000501075450 1004180053 /nfs/dbraw/zinc/18/00/53/1004180053.db2.gz IKAUXPJXVMJSQA-MJGOQNOKSA-N 0 3 424.284 3.820 20 5 HHBDHN CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000501075449 1004180095 /nfs/dbraw/zinc/18/00/95/1004180095.db2.gz IKAUXPJXVMJSQA-IEBWSBKVSA-N 0 3 424.284 3.820 20 5 HHBDHN CC(C)(C(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1)c1ccccc1[N+](=O)[O-] ZINC000509980890 1004245700 /nfs/dbraw/zinc/24/57/00/1004245700.db2.gz DOTGYCCUMZLZLN-UHFFFAOYSA-N 0 3 413.440 3.794 20 5 HHBDHN Cc1c(Br)cc(C(=O)N(CCN(C)C)c2ccccc2)cc1[N+](=O)[O-] ZINC000510634739 1004767878 /nfs/dbraw/zinc/76/78/78/1004767878.db2.gz MZLLGDFCOVLWEO-UHFFFAOYSA-N 0 3 406.280 3.874 20 5 HHBDHN CCCCN1CCCC[C@H]1CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000502447846 1005079297 /nfs/dbraw/zinc/07/92/97/1005079297.db2.gz GZWYFQAYBKVDRI-IBGZPJMESA-N 0 3 405.542 3.926 20 5 HHBDHN Cn1ccnc1[C@H](NC[C@H](c1ccccc1)N1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000513761131 1005114125 /nfs/dbraw/zinc/11/41/25/1005114125.db2.gz MHMQLGHDDABCSE-FGZHOGPDSA-N 0 3 405.502 3.844 20 5 HHBDHN CC(C)N1CCN(c2cccc(Nc3cc4c(cc3[N+](=O)[O-])CCC(=O)N4)c2)CC1 ZINC000502807138 1005225940 /nfs/dbraw/zinc/22/59/40/1005225940.db2.gz SNWBWHQJBQWSDH-UHFFFAOYSA-N 0 3 409.490 3.754 20 5 HHBDHN CC(C)N1CCN(c2cccc(NC(=O)CCOc3ccccc3[N+](=O)[O-])c2)CC1 ZINC000502889660 1005260935 /nfs/dbraw/zinc/26/09/35/1005260935.db2.gz FFBWRVMTGJZNJP-UHFFFAOYSA-N 0 3 412.490 3.533 20 5 HHBDHN CCCN(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@H](C)CC(=O)Nc1ccccc1 ZINC000502895550 1005264039 /nfs/dbraw/zinc/26/40/39/1005264039.db2.gz PKXVAJXMAZNVOQ-QGZVFWFLSA-N 0 3 412.490 3.687 20 5 HHBDHN CN(C)[C@H](CNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000531095611 1005990693 /nfs/dbraw/zinc/99/06/93/1005990693.db2.gz GLQPEEDURCRWAN-LJQANCHMSA-N 0 3 402.882 3.855 20 5 HHBDHN COc1ccc(C[C@H](C)CN(C)[C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC000534172916 1006156919 /nfs/dbraw/zinc/15/69/19/1006156919.db2.gz HOKVSWHGKGOQRU-JKSUJKDBSA-N 0 3 415.490 3.750 20 5 HHBDHN Cc1c(NC(=O)[C@H](C)N[C@@H]2CCN(C)[C@@H]2c2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000515021056 1006254518 /nfs/dbraw/zinc/25/45/18/1006254518.db2.gz VNOOFLVRBQHQCJ-BOUXLOLZSA-N 0 3 416.909 3.919 20 5 HHBDHN COc1ccc(NC(=O)CCN2CC[C@@H](Oc3cccc(Cl)c3)C2)c([N+](=O)[O-])c1 ZINC000534661100 1006638116 /nfs/dbraw/zinc/63/81/16/1006638116.db2.gz ZYLWNZBZVJWQTJ-QGZVFWFLSA-N 0 3 419.865 3.739 20 5 HHBDHN O=C(NCCc1cccc([N+](=O)[O-])c1)Nc1ccc(CCN2CCSCC2)cc1 ZINC000534775479 1006773729 /nfs/dbraw/zinc/77/37/29/1006773729.db2.gz HWVSUZDLSGLVLO-UHFFFAOYSA-N 0 3 414.531 3.550 20 5 HHBDHN CC1CCN([C@@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)c2ccccc2)CC1 ZINC000516139033 1006911470 /nfs/dbraw/zinc/91/14/70/1006911470.db2.gz ITKOCRMBQQAUKR-IBGZPJMESA-N 0 3 400.454 3.519 20 5 HHBDHN Cc1ccc(-c2nn(-c3ccccc3)cc2CNCCn2cc([N+](=O)[O-])cn2)cc1 ZINC000532866770 1007254381 /nfs/dbraw/zinc/25/43/81/1007254381.db2.gz RJOSSSFVQADJHP-UHFFFAOYSA-N 0 3 402.458 3.742 20 5 HHBDHN CCN(CC)[C@H](CNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)c1ccsc1 ZINC000535251998 1007303257 /nfs/dbraw/zinc/30/32/57/1007303257.db2.gz MMLCVDKIZJUXTE-LJQANCHMSA-N 0 3 402.520 3.807 20 5 HHBDHN COc1ccc(CN[C@@H](C)CC(=O)Nc2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000539073320 1007364839 /nfs/dbraw/zinc/36/48/39/1007364839.db2.gz PNYLPSRRVFLRMT-LBPRGKRZSA-N 0 3 422.279 3.873 20 5 HHBDHN COc1ccc(C[C@H](C)CN(C)[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000535628379 1007630612 /nfs/dbraw/zinc/63/06/12/1007630612.db2.gz PGFJSKHFHVBYMN-HOTGVXAUSA-N 0 3 415.490 3.750 20 5 HHBDHN CC(C)(C)c1ccc(Oc2ccc(CNCC3(CO)COC3)cc2[N+](=O)[O-])cc1 ZINC000533330745 1007640757 /nfs/dbraw/zinc/64/07/57/1007640757.db2.gz WHKNFFDEOCBZAW-UHFFFAOYSA-N 0 3 400.475 3.783 20 5 HHBDHN CCN(CC)[C@H](CNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)c1ccco1 ZINC000517647624 1007858647 /nfs/dbraw/zinc/85/86/47/1007858647.db2.gz LBNBSFPIXQKSCW-LJQANCHMSA-N 0 3 400.479 3.919 20 5 HHBDHN C/C(=C/c1nc(-c2ccc(N3CCCN(C)CC3)nc2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000546363409 1009373225 /nfs/dbraw/zinc/37/32/25/1009373225.db2.gz LSNOVWFCSQXXED-PEZBUJJGSA-N 0 3 420.473 3.742 20 5 HHBDHN C[C@@H](CCc1ccc(Cl)s1)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000544574341 1010203446 /nfs/dbraw/zinc/20/34/46/1010203446.db2.gz ROOWRCWSWOZVKQ-LBPRGKRZSA-N 0 3 402.925 3.694 20 5 HHBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@@H](c1cccc(Cl)c1)N1CCOCC1 ZINC000521829824 1010644892 /nfs/dbraw/zinc/64/48/92/1010644892.db2.gz WYISJFOFVRQDFU-FQEVSTJZSA-N 0 3 419.909 3.810 20 5 HHBDHN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(CCN(C)C)Cc1ccccc1F ZINC000522177724 1010849066 /nfs/dbraw/zinc/84/90/66/1010849066.db2.gz DUZGLSBENYEMJJ-CQSZACIVSA-N 0 3 423.872 3.745 20 5 HHBDHN C[C@@](O)(CNCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000536338388 1011540894 /nfs/dbraw/zinc/54/08/94/1011540894.db2.gz GLAGYWKUFUIVJG-LJQANCHMSA-N 0 3 420.391 3.850 20 5 HHBDHN COc1ccc(OCCN2CCC[C@@H](c3nc(-c4ccccc4)n[nH]3)C2)c([N+](=O)[O-])c1 ZINC000540867247 1011547177 /nfs/dbraw/zinc/54/71/77/1011547177.db2.gz ZZNDQWSYLWCUSY-QGZVFWFLSA-N 0 3 423.473 3.647 20 5 HHBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3ccccc3)C[C@H]2CO)nc1-c1ccccc1 ZINC000536389447 1011597163 /nfs/dbraw/zinc/59/71/63/1011597163.db2.gz ABGDGOCTQOXWHL-SFTDATJTSA-N 0 3 418.497 3.952 20 5 HHBDHN COc1ccc(CN2CCN(C3CCC3)CC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000536674315 1011832457 /nfs/dbraw/zinc/83/24/57/1011832457.db2.gz LXQAJPMUIJWVEU-UHFFFAOYSA-N 0 3 411.502 3.853 20 5 HHBDHN C[C@@H](NC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F)c1ccccc1[N+](=O)[O-] ZINC000552411886 1012427325 /nfs/dbraw/zinc/42/73/25/1012427325.db2.gz ZJCMIVNLTRLQOP-CRAIPNDOSA-N 0 3 403.429 3.929 20 5 HHBDHN C[C@@H](C(=O)N(CCCc1ccccc1)CCN(C)C)c1ccc([N+](=O)[O-])cc1F ZINC000541694391 1012541579 /nfs/dbraw/zinc/54/15/79/1012541579.db2.gz USEGAQCSWVMFFB-QGZVFWFLSA-N 0 3 401.482 3.860 20 5 HHBDHN NC(=O)[C@H](CNCc1ccc(-c2ccccc2[N+](=O)[O-])o1)Cc1ccccc1Cl ZINC000537431963 1012919658 /nfs/dbraw/zinc/91/96/58/1012919658.db2.gz OJOKMDALIOVGAJ-HNNXBMFYSA-N 0 3 413.861 3.942 20 5 HHBDHN CN1CC[C@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@H]1c1ccc(Cl)cc1 ZINC000573409546 1074401065 /nfs/dbraw/zinc/40/10/65/1074401065.db2.gz WAYWTTVSXZOYSO-PKOBYXMFSA-N 0 3 423.300 3.875 20 5 HHBDHN C[C@H](CN1C[C@H](C)C[C@@H](C)C1)Nc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl ZINC000301228344 970820865 /nfs/dbraw/zinc/82/08/65/970820865.db2.gz HXTPQACVQUSWSG-RBSFLKMASA-N 0 3 419.913 3.572 20 5 HHBDHN O=C1OCCN1c1cc([N+](=O)[O-])ccc1NC[C@@H](c1cccs1)N1CCCC1 ZINC000301530672 970969318 /nfs/dbraw/zinc/96/93/18/970969318.db2.gz PHVFBBAVBSSCEP-KRWDZBQOSA-N 0 3 402.476 3.862 20 5 HHBDHN C[C@@H]1CCN(c2ncc(Br)cc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000301689607 971029135 /nfs/dbraw/zinc/02/91/35/971029135.db2.gz MYKVKZAVTWVDIX-CQSZACIVSA-N 0 3 405.296 3.853 20 5 HHBDHN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H](c2cccc(C(F)(F)F)c2)N(C)C)n1 ZINC000553189758 1013149578 /nfs/dbraw/zinc/14/95/78/1013149578.db2.gz JOCSTZSLIVRSMV-OAHLLOKOSA-N 0 3 412.368 3.510 20 5 HHBDHN O=C(NCc1cccc([N+](=O)[O-])c1)Nc1ccc(CCN2CCSCC2)cc1 ZINC000524337253 1013159761 /nfs/dbraw/zinc/15/97/61/1013159761.db2.gz VHADLVBBUMZAOE-UHFFFAOYSA-N 0 3 400.504 3.508 20 5 HHBDHN COC(=O)[C@@]1(C)CCN(Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1 ZINC000537623131 1013170764 /nfs/dbraw/zinc/17/07/64/1013170764.db2.gz XOBMHXJTFBFUMF-QFIPXVFZSA-N 0 3 414.458 3.567 20 5 HHBDHN CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NCc2ccccc2CN(C)C)CC1 ZINC000006992915 960971909 /nfs/dbraw/zinc/97/19/09/960971909.db2.gz XRZWTKVCVVMULC-UHFFFAOYSA-N 0 3 410.518 3.823 20 5 HHBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000542278504 1013239005 /nfs/dbraw/zinc/23/90/05/1013239005.db2.gz VEVWTOIWOFGXKF-HZPDHXFCSA-N 0 3 417.531 3.549 20 5 HHBDHN Cn1cc(CN2CCC[C@H](CC(=O)OC(C)(C)C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000537726136 1013287157 /nfs/dbraw/zinc/28/71/57/1013287157.db2.gz RWXMFOFCUSGQBL-MRXNPFEDSA-N 0 3 414.506 3.939 20 5 HHBDHN O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCN(CC2CCCCC2)CC1 ZINC000050008749 964237453 /nfs/dbraw/zinc/23/74/53/964237453.db2.gz WIYBUYBTSYFMPB-UHFFFAOYSA-N 0 3 414.550 3.536 20 5 HHBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000537946389 1013529005 /nfs/dbraw/zinc/52/90/05/1013529005.db2.gz CWOUTJMEWXWSPO-PXAZEXFGSA-N 0 3 411.380 3.654 20 5 HHBDHN O=C(Nc1cc(Cl)ccc1O)C1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000053038997 965046428 /nfs/dbraw/zinc/04/64/28/965046428.db2.gz KISVZHXXPCAART-UHFFFAOYSA-N 0 3 419.865 3.683 20 5 HHBDHN O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000032217039 966201627 /nfs/dbraw/zinc/20/16/27/966201627.db2.gz JYDYVOPZWLPHFU-QFIPXVFZSA-N 0 3 408.502 3.762 20 5 HHBDHN O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000032217514 966202841 /nfs/dbraw/zinc/20/28/41/966202841.db2.gz OAUBDRAWUIDSNN-QFIPXVFZSA-N 0 3 408.502 3.762 20 5 HHBDHN CC(C)[N@H+](C)Cc1ccccc1C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000032441359 966253864 /nfs/dbraw/zinc/25/38/64/966253864.db2.gz VZUDPKJGOKAUKS-UHFFFAOYSA-N 0 3 411.911 3.567 20 5 HHBDHN CC(C)[N@@H+](C)Cc1ccccc1C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000032441359 966253874 /nfs/dbraw/zinc/25/38/74/966253874.db2.gz VZUDPKJGOKAUKS-UHFFFAOYSA-N 0 3 411.911 3.567 20 5 HHBDHN COc1cccc([C@H](CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)N2CCCC2)c1 ZINC000041816294 966642237 /nfs/dbraw/zinc/64/22/37/966642237.db2.gz VIQAVAKQMWWXRD-NRFANRHFSA-N 0 3 408.458 3.652 20 5 HHBDHN O=C(Nc1cc(Cl)ccc1O)C1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000065535037 967510555 /nfs/dbraw/zinc/51/05/55/967510555.db2.gz LJZOKOIMUDBLKN-UHFFFAOYSA-N 0 3 419.865 3.683 20 5 HHBDHN C[C@H]1C[C@@H]1N1CCN(C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000554132836 1013813692 /nfs/dbraw/zinc/81/36/92/1013813692.db2.gz WGTMAHUCGKLALU-BSRJHKFKSA-N 0 3 423.513 3.976 20 5 HHBDHN CC1CCN([C@@H](CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)c2cccs2)CC1 ZINC000071862603 968875435 /nfs/dbraw/zinc/87/54/35/968875435.db2.gz PAKPJSBVNGDFTO-KRWDZBQOSA-N 0 3 413.503 3.736 20 5 HHBDHN O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCN(C2CCCC2)CC1 ZINC000105876884 969270049 /nfs/dbraw/zinc/27/00/49/969270049.db2.gz NBBYPDSPCCTTEZ-UHFFFAOYSA-N 0 3 414.428 3.502 20 5 HHBDHN CCN1CCN(Cc2ccc(NC(=O)c3cc(SC)ccc3[N+](=O)[O-])cc2)CC1 ZINC000107592505 969318684 /nfs/dbraw/zinc/31/86/84/969318684.db2.gz UHONCNWINWREFE-UHFFFAOYSA-N 0 3 414.531 3.707 20 5 HHBDHN CN(C)C[C@@H](NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc(F)cc1 ZINC000554408646 1013937159 /nfs/dbraw/zinc/93/71/59/1013937159.db2.gz GPMUPNKRCJAQFQ-OAHLLOKOSA-N 0 3 412.368 3.760 20 5 HHBDHN COc1cc(CN[C@@H]2CCC[C@@]2(C)CO)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000237192655 970239092 /nfs/dbraw/zinc/23/90/92/970239092.db2.gz YNHGUIFPGQFWFN-YADHBBJMSA-N 0 3 400.475 3.823 20 5 HHBDHN COc1ccc(CN[C@H](C)CC(=O)Nc2cccc(N3CCCC3)c2)cc1[N+](=O)[O-] ZINC000237339014 970266534 /nfs/dbraw/zinc/26/65/34/970266534.db2.gz PWHHPSRKGDZAQT-MRXNPFEDSA-N 0 3 412.490 3.711 20 5 HHBDHN COc1ccc(-c2ccc(CNCCC(=O)NCc3ccccc3)o2)c([N+](=O)[O-])c1 ZINC000237425606 970283102 /nfs/dbraw/zinc/28/31/02/970283102.db2.gz XMQJMVFGIWUWMA-UHFFFAOYSA-N 0 3 409.442 3.660 20 5 HHBDHN COc1ccc(-c2ccc(CNCCC(=O)N3CCCCCC3)o2)c([N+](=O)[O-])c1 ZINC000237425474 970283409 /nfs/dbraw/zinc/28/34/09/970283409.db2.gz YALOVFPWQUXQQJ-UHFFFAOYSA-N 0 3 401.463 3.746 20 5 HHBDHN O=C(NCCCNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1cccs1 ZINC000238058246 970429863 /nfs/dbraw/zinc/42/98/63/970429863.db2.gz PWIQWTZFPWVTHR-UHFFFAOYSA-N 0 3 402.501 3.690 20 5 HHBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC(CCN3C[C@H](C)O[C@@H](C)C3)CC2)c1 ZINC000427297942 975034438 /nfs/dbraw/zinc/03/44/38/975034438.db2.gz YABKMGLROYSUJQ-HOTGVXAUSA-N 0 3 421.563 3.668 20 5 HHBDHN C[C@H]1CN(CCC2CCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4o3)CC2)C[C@H](C)O1 ZINC000427319348 975049620 /nfs/dbraw/zinc/04/96/20/975049620.db2.gz FXEUKYVKNGSQCN-HOTGVXAUSA-N 0 3 415.490 3.693 20 5 HHBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@H](CO)Cc1ccccc1Br ZINC000428533122 975829727 /nfs/dbraw/zinc/82/97/27/975829727.db2.gz CJZWEGWTAYFYHA-CQSZACIVSA-N 0 3 423.307 3.697 20 5 HHBDHN O=C(NC[C@H]1CN(Cc2ccccc2)CCCO1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000428703163 975993952 /nfs/dbraw/zinc/99/39/52/975993952.db2.gz VCBKAZGFGZQEQF-KRWDZBQOSA-N 0 3 418.881 3.661 20 5 HHBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC[C@@H](Sc2cccc(Cl)c2)C1 ZINC000429126719 976411572 /nfs/dbraw/zinc/41/15/72/976411572.db2.gz IGIQHVWHHKUNGL-DOTOQJQBSA-N 0 3 408.907 3.855 20 5 HHBDHN Cc1noc(C[C@@H](N[C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)c2ccccc2)n1 ZINC000429470939 976738564 /nfs/dbraw/zinc/73/85/64/976738564.db2.gz OARKHVUTNHSLQN-AUUYWEPGSA-N 0 3 409.446 3.577 20 5 HHBDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000431472428 978319549 /nfs/dbraw/zinc/31/95/49/978319549.db2.gz PZKAHJJMAJBSGK-CXAGYDPISA-N 0 3 418.291 3.923 20 5 HHBDHN COc1cc(CN2CC[C@H](Nc3ccnc4c3cccc4[N+](=O)[O-])C2)cc(OC)c1 ZINC000432337525 978766908 /nfs/dbraw/zinc/76/69/08/978766908.db2.gz RORXJEXJEWTAAJ-INIZCTEOSA-N 0 3 408.458 3.847 20 5 HHBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC(c2ncc(C)s2)CC1 ZINC000433158267 979106114 /nfs/dbraw/zinc/10/61/14/979106114.db2.gz AEVRPVXSQWGWLA-UHFFFAOYSA-N 0 3 404.492 3.577 20 5 HHBDHN Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000434323600 980087505 /nfs/dbraw/zinc/08/75/05/980087505.db2.gz KOXSBMVBCDGCGY-FQEVSTJZSA-N 0 3 419.485 3.728 20 5 HHBDHN C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000436125814 981210506 /nfs/dbraw/zinc/21/05/06/981210506.db2.gz DDAJPPFCSABVRB-OWCLPIDISA-N 0 3 409.505 3.917 20 5 HHBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN2CCN(CC[C@@H]3CCOC3)CC2)s1 ZINC000437592077 982216463 /nfs/dbraw/zinc/21/64/63/982216463.db2.gz QBDGFERXJJBZOY-QGZVFWFLSA-N 0 3 401.532 3.868 20 5 HHBDHN COc1cc(CNC[C@@]2(O)CCCC(C)(C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000438382901 982756607 /nfs/dbraw/zinc/75/66/07/982756607.db2.gz QFBCMLALWJCTAS-GOSISDBHSA-N 0 3 420.428 3.965 20 5 HHBDHN CCC[C@H](NCc1ccc(N2CCCS2(=O)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000461082624 982778519 /nfs/dbraw/zinc/77/85/19/982778519.db2.gz ITHGXAWNPRAUCD-FQEVSTJZSA-N 0 3 403.504 3.766 20 5 HHBDHN CC(C)C1CCC(N2CCN([C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000438560121 982902009 /nfs/dbraw/zinc/90/20/09/982902009.db2.gz DLHBHBXNKGCANP-LMDPOFIKSA-N 0 3 402.539 3.754 20 5 HHBDHN C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCCN2Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000439013908 983210261 /nfs/dbraw/zinc/21/02/61/983210261.db2.gz YTSIZZXJGSAGKA-OAOYMFHYSA-N 0 3 400.479 3.796 20 5 HHBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000439935065 983587455 /nfs/dbraw/zinc/58/74/55/983587455.db2.gz TZKMVVUKFQAVJQ-UHFFFAOYSA-N 0 3 422.432 3.867 20 5 HHBDHN COc1cc(CN[C@@H]2CCO[C@H](C3CC3)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000462557563 985505537 /nfs/dbraw/zinc/50/55/37/985505537.db2.gz VJRSRTBUBPTJJN-HIFRSBDPSA-N 0 3 404.385 3.592 20 5 HHBDHN O=C(c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)N1CCC[C@@H](N2CCCC2)C1 ZINC000444007461 986204196 /nfs/dbraw/zinc/20/41/96/986204196.db2.gz DWKAHMPVWSDBKE-MRXNPFEDSA-N 0 3 411.452 3.660 20 5 HHBDHN O=C(N[C@H]1CCN(CC2CCCC2)C1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444152633 986335608 /nfs/dbraw/zinc/33/56/08/986335608.db2.gz OBRFYOWKCOWKNS-INIZCTEOSA-N 0 3 407.489 3.815 20 5 HHBDHN C[C@@H]1C[C@H](CCNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CN1Cc1ccccc1 ZINC000468715076 986429859 /nfs/dbraw/zinc/42/98/59/986429859.db2.gz NAIIKFCOHSTRLS-AEFFLSMTSA-N 0 3 417.531 3.711 20 5 HHBDHN C[C@@H]1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CCN1Cc1ccccc1 ZINC000464837141 989080656 /nfs/dbraw/zinc/08/06/56/989080656.db2.gz SOTTZUSQWALUIJ-QGZVFWFLSA-N 0 3 407.474 3.741 20 5 HHBDHN COc1ccc(CSCC(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)cc1[N+](=O)[O-] ZINC000471554811 989755164 /nfs/dbraw/zinc/75/51/64/989755164.db2.gz JJHPYHVJHOHJOS-YCRPNKLZSA-N 0 3 417.531 3.644 20 5 HHBDHN CCN1CCN(c2cccc(NC(=O)Cc3ccc([N+](=O)[O-])cc3Cl)c2)CC1 ZINC000471663987 989868193 /nfs/dbraw/zinc/86/81/93/989868193.db2.gz SFIFNCAKAMNIRI-UHFFFAOYSA-N 0 3 402.882 3.571 20 5 HHBDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000466585196 991902447 /nfs/dbraw/zinc/90/24/47/991902447.db2.gz FXFSZYRKKYXZHV-PBHICJAKSA-N 0 3 402.882 3.883 20 5 HHBDHN COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)cc1SC ZINC000467047987 992357252 /nfs/dbraw/zinc/35/72/52/992357252.db2.gz SXCCIDMDBRCCAF-GDBMZVCRSA-N 0 3 415.515 3.718 20 5 HHBDHN CN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000472456195 993458454 /nfs/dbraw/zinc/45/84/54/993458454.db2.gz RJVNZKOJWGNSSO-FQEVSTJZSA-N 0 3 407.474 3.741 20 5 HHBDHN CCOc1cc(CN2CCCC3(CC3)C2)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000473060026 993980890 /nfs/dbraw/zinc/98/08/90/993980890.db2.gz VFPCIUNXFOAFJU-UHFFFAOYSA-N 0 3 414.506 3.953 20 5 HHBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000481360236 994187008 /nfs/dbraw/zinc/18/70/08/994187008.db2.gz OELZUISAWZYDRW-LJQANCHMSA-N 0 3 416.478 3.815 20 5 HHBDHN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C)cc(N2CCN(C(C)C)CC2)c1 ZINC000481627830 994492869 /nfs/dbraw/zinc/49/28/69/994492869.db2.gz NNGXWRGIEOGAOF-UHFFFAOYSA-N 0 3 412.490 3.695 20 5 HHBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000482883431 995815619 /nfs/dbraw/zinc/81/56/19/995815619.db2.gz YTFCFCNGMFAZOC-MRXNPFEDSA-N 0 3 423.604 3.943 20 5 HHBDHN COc1cc([N+](=O)[O-])c(C(=O)N2C[C@H]3CCCN3Cc3ccccc32)cc1SC ZINC000483041405 995936339 /nfs/dbraw/zinc/93/63/39/995936339.db2.gz OLOMCWVDKALFIZ-OAHLLOKOSA-N 0 3 413.499 3.950 20 5 HHBDHN O=[N+]([O-])c1ccccc1OCCN[C@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000483229240 996048853 /nfs/dbraw/zinc/04/88/53/996048853.db2.gz DGEXSPHZYXCKRP-CQSZACIVSA-N 0 3 404.772 3.969 20 5 HHBDHN CN(C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475318129 996067002 /nfs/dbraw/zinc/06/70/02/996067002.db2.gz OQDWFPHDMKJUQG-OAQYLSRUSA-N 0 3 422.529 3.544 20 5 HHBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H](C)c1ccc(Br)cn1 ZINC000475511272 996191619 /nfs/dbraw/zinc/19/16/19/996191619.db2.gz SZCYTDVXBMIWSA-NEPJUHHUSA-N 0 3 407.268 3.820 20 5 HHBDHN C[C@@H](N[C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(Br)cn1 ZINC000475511274 996191785 /nfs/dbraw/zinc/19/17/85/996191785.db2.gz SZCYTDVXBMIWSA-NWDGAFQWSA-N 0 3 407.268 3.820 20 5 HHBDHN O=C(NCC1(N2CCSCC2)CCCCC1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000484883469 997249345 /nfs/dbraw/zinc/24/93/45/997249345.db2.gz AEGJGUMBKBWCHW-UHFFFAOYSA-N 0 3 402.520 3.558 20 5 HHBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000485843231 998308505 /nfs/dbraw/zinc/30/85/05/998308505.db2.gz JRXMIUPAAXULNM-HOTGVXAUSA-N 0 3 421.563 3.668 20 5 HHBDHN O=C(c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])N1CC[C@@H](N2CCCCC2)C1 ZINC000485940868 998385534 /nfs/dbraw/zinc/38/55/34/998385534.db2.gz MZUHJAUVLMEJLT-LJQANCHMSA-N 0 3 409.486 3.874 20 5 HHBDHN CC(C)C[C@H](CN(C)C)NC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000485946891 998390744 /nfs/dbraw/zinc/39/07/44/998390744.db2.gz MNZWCCJFFSTZME-CQSZACIVSA-N 0 3 401.457 3.666 20 5 HHBDHN O=[N+]([O-])c1ccccc1/C=C/CN1C[C@H]2CCC[C@@]2(c2nc(-c3cnccn3)no2)C1 ZINC000486474449 998785768 /nfs/dbraw/zinc/78/57/68/998785768.db2.gz XPQFWYRPFNDAON-OUWGLZAPSA-N 0 3 418.457 3.502 20 5 HHBDHN CCN(CC)[C@@H](CNC(=O)NCc1cccc([N+](=O)[O-])c1C)c1cccc(OC)c1 ZINC000478288326 998866578 /nfs/dbraw/zinc/86/65/78/998866578.db2.gz XNUSCDSLZBHMDP-NRFANRHFSA-N 0 3 414.506 3.794 20 5 HHBDHN COC(=O)C1(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CC1 ZINC000486894968 998995437 /nfs/dbraw/zinc/99/54/37/998995437.db2.gz BEXNRTWASZXIBP-UHFFFAOYSA-N 0 3 409.236 3.660 20 5 HHBDHN CCN(C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000487671773 999248855 /nfs/dbraw/zinc/24/88/55/999248855.db2.gz DBJHMLIAMCGKOA-QAPCUYQASA-N 0 3 411.458 3.621 20 5 HHBDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000487713656 999262195 /nfs/dbraw/zinc/26/21/95/999262195.db2.gz CNPJEBGWWBGTMU-UKRRQHHQSA-N 0 3 405.401 3.762 20 5 HHBDHN CCN1CCN(c2ccc(NC(=O)NCc3cccc([N+](=O)[O-])c3C)c(C)c2)CC1 ZINC000479564026 999479542 /nfs/dbraw/zinc/47/95/42/999479542.db2.gz GEPGCMVAVRXHLN-UHFFFAOYSA-N 0 3 411.506 3.675 20 5 HHBDHN Cc1ccc([N-]S(=O)(=O)c2ccc(NC[C@@H](C)C[NH+](C)C)c([N+](=O)[O-])c2)c(C)c1 ZINC000489021719 999674648 /nfs/dbraw/zinc/67/46/48/999674648.db2.gz YWRNHEYICNUDGV-OAHLLOKOSA-N 0 3 420.535 3.622 20 5 HHBDHN O=[N+]([O-])c1cccc(-c2nc(CNC[C@H](CO)Cc3ccc(F)c(F)c3)cs2)c1 ZINC000480448262 999801600 /nfs/dbraw/zinc/80/16/00/999801600.db2.gz VPUIKAQYROFXEN-CQSZACIVSA-N 0 3 419.453 3.937 20 5 HHBDHN Cc1c(CNCc2cn(C)nc2-c2ccc3c(c2)OCCCO3)cccc1[N+](=O)[O-] ZINC000480503414 999813542 /nfs/dbraw/zinc/81/35/42/999813542.db2.gz XPUQHDWIFBXIHD-UHFFFAOYSA-N 0 3 408.458 3.755 20 5 HHBDHN C[C@]1(CNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CCCN1Cc1ccccc1 ZINC000490529096 999972995 /nfs/dbraw/zinc/97/29/95/999972995.db2.gz VUBQKURHLDFUBA-HSZRJFAPSA-N 0 3 419.485 3.565 20 5 HHBDHN C[C@@H]1C[C@@H](NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CN1Cc1ccccc1 ZINC000491322899 1000065084 /nfs/dbraw/zinc/06/50/84/1000065084.db2.gz LQEDYMYZTOVWQW-YLJYHZDGSA-N 0 3 408.502 3.932 20 5 HHBDHN Cc1c(NC(=O)CCN2CCC(c3noc(C(C)C)n3)CC2)cccc1[N+](=O)[O-] ZINC000505202908 1000615890 /nfs/dbraw/zinc/61/58/90/1000615890.db2.gz GUTPYZWLFNWHPD-UHFFFAOYSA-N 0 3 401.467 3.618 20 5 HHBDHN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1cc(C)cc(N2CCN(C(C)C)CC2)c1 ZINC000495147773 1000889016 /nfs/dbraw/zinc/88/90/16/1000889016.db2.gz AJXWFEYHPLHQKM-UHFFFAOYSA-N 0 3 412.490 3.695 20 5 HHBDHN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)[C@H](c1ccccc1)N(C)C ZINC000505604004 1000929773 /nfs/dbraw/zinc/92/97/73/1000929773.db2.gz DQKRZKKRWAFSCO-SJKOYZFVSA-N 0 3 406.280 3.779 20 5 HHBDHN CCN(CC)[C@H](CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)c1cccc(OC)c1 ZINC000497745996 1001502389 /nfs/dbraw/zinc/50/23/89/1001502389.db2.gz OGOKSUCUTVIEOK-JOCHJYFZSA-N 0 3 424.501 3.757 20 5 HHBDHN O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1C[C@@H]2CCCN2Cc2ccccc21 ZINC000497801338 1001518379 /nfs/dbraw/zinc/51/83/79/1001518379.db2.gz YVFHXPWRKBBASC-HNNXBMFYSA-N 0 3 403.385 3.821 20 5 HHBDHN CC[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)N1CCc2ccccc2C1 ZINC000497893698 1001553934 /nfs/dbraw/zinc/55/39/34/1001553934.db2.gz FRBWJLQHCDPNFC-SFHVURJKSA-N 0 3 404.470 3.710 20 5 HHBDHN CN(C)CCN(Cc1cccc(F)c1)C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000498173016 1001673818 /nfs/dbraw/zinc/67/38/18/1001673818.db2.gz OCSIPXITVXDXAX-UHFFFAOYSA-N 0 3 411.380 3.539 20 5 HHBDHN CNC(=O)[C@@H]1CCC[C@H]1NCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000498376493 1001807045 /nfs/dbraw/zinc/80/70/45/1001807045.db2.gz ZHVXYCRKEUTMRG-GDBMZVCRSA-N 0 3 422.279 3.622 20 5 HHBDHN CCOCCCNC(=O)C1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000507162081 1001850101 /nfs/dbraw/zinc/85/01/01/1001850101.db2.gz UJFUBFPKCBBSEX-UHFFFAOYSA-N 0 3 415.490 3.610 20 5 HHBDHN COc1ccc([C@H](CN(C)C)NC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000499110240 1002500313 /nfs/dbraw/zinc/50/03/13/1002500313.db2.gz JAMMHMAIHKEUOI-KXBFYZLASA-N 0 3 400.479 3.575 20 5 HHBDHN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000499847254 1003183131 /nfs/dbraw/zinc/18/31/31/1003183131.db2.gz QDWVUSZZBNFYGW-KRWDZBQOSA-N 0 3 404.470 3.880 20 5 HHBDHN CC(C)Oc1ccc([C@H](CNC(=O)NCCc2cccc([N+](=O)[O-])c2)N(C)C)cc1 ZINC000500570191 1003789513 /nfs/dbraw/zinc/78/95/13/1003789513.db2.gz OGMILFMKENFSBD-NRFANRHFSA-N 0 3 414.506 3.527 20 5 HHBDHN O=C(CCN(Cc1cccc(F)c1)C[C@@H]1CCCO1)Nc1ccccc1[N+](=O)[O-] ZINC000501163244 1004246311 /nfs/dbraw/zinc/24/63/11/1004246311.db2.gz LWWCBMAZAVVLNG-SFHVURJKSA-N 0 3 401.438 3.744 20 5 HHBDHN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000510834707 1004881909 /nfs/dbraw/zinc/88/19/09/1004881909.db2.gz RTENCHUWIGAOLI-UHFFFAOYSA-N 0 3 410.518 3.616 20 5 HHBDHN COc1ccc(-c2ccc(CN3CCC(CC(=O)N(C)C)CC3)o2)c([N+](=O)[O-])c1 ZINC000513374823 1004932926 /nfs/dbraw/zinc/93/29/26/1004932926.db2.gz AMODOEZNBGKKAR-UHFFFAOYSA-N 0 3 401.463 3.554 20 5 HHBDHN COc1ccc(-c2ccc(CN3CCC[C@@H](c4nnc5n4CCC5)C3)o2)c([N+](=O)[O-])c1 ZINC000513649602 1005066050 /nfs/dbraw/zinc/06/60/50/1005066050.db2.gz ZTBWKZHURVWFBZ-OAHLLOKOSA-N 0 3 423.473 3.781 20 5 HHBDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000513698737 1005087033 /nfs/dbraw/zinc/08/70/33/1005087033.db2.gz FDBBXYDCWOQOKW-BBRMVZONSA-N 0 3 405.401 3.762 20 5 HHBDHN O=[N+]([O-])c1ccc(-c2noc(CN3C[C@H](c4ccccc4)[C@@H]4COCC[C@H]43)n2)cc1 ZINC000511780639 1005323691 /nfs/dbraw/zinc/32/36/91/1005323691.db2.gz ITOSCMLXBIDQRD-HSALFYBXSA-N 0 3 406.442 3.649 20 5 HHBDHN Cc1cc(N2CCC(NCc3csc(-c4cccc([N+](=O)[O-])c4)n3)CC2)nc(C)n1 ZINC000531403547 1006175806 /nfs/dbraw/zinc/17/58/06/1006175806.db2.gz TUZSTZJQSCQZEP-UHFFFAOYSA-N 0 3 424.530 3.884 20 5 HHBDHN Cc1nccn1CCN1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000534215647 1006211268 /nfs/dbraw/zinc/21/12/68/1006211268.db2.gz GUWANRZXBQSDDH-UHFFFAOYSA-N 0 3 411.531 3.646 20 5 HHBDHN CCOc1ccc([C@H](C)N[C@@H](C)[C@H]2CN(Cc3ccccc3)CCO2)cc1[N+](=O)[O-] ZINC000534329306 1006302240 /nfs/dbraw/zinc/30/22/40/1006302240.db2.gz XWODQJKXNKGIQQ-IUKKYPGJSA-N 0 3 413.518 3.934 20 5 HHBDHN CCC(=O)N1CC[C@@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000531630492 1006316518 /nfs/dbraw/zinc/31/65/18/1006316518.db2.gz PKQRCTYESSSPAD-GFCCVEGCSA-N 0 3 422.279 3.718 20 5 HHBDHN Cc1c([C@H](C)NCc2ccc(CS(=O)(=O)NC(C)C)cc2)cccc1[N+](=O)[O-] ZINC000531696397 1006360586 /nfs/dbraw/zinc/36/05/86/1006360586.db2.gz FGUVNFLSEAYVEN-INIZCTEOSA-N 0 3 405.520 3.582 20 5 HHBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000534695936 1006679104 /nfs/dbraw/zinc/67/91/04/1006679104.db2.gz JRBLTFYMAVLDQW-QGZVFWFLSA-N 0 3 419.865 3.739 20 5 HHBDHN CC1(C)C[C@@H](NCc2ccc(C(=O)N3CCOCC3)cc2)c2cc([N+](=O)[O-])ccc21 ZINC000515965509 1006794474 /nfs/dbraw/zinc/79/44/74/1006794474.db2.gz RCCYPROOCJEGLG-OAQYLSRUSA-N 0 3 409.486 3.579 20 5 HHBDHN CC(C)n1c2ccccc2nc1[C@H]1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000534912966 1006946616 /nfs/dbraw/zinc/94/66/16/1006946616.db2.gz LOVLIHPGVCJDHY-KRWDZBQOSA-N 0 3 409.490 3.567 20 5 HHBDHN CCO[C@@H]1C[C@H](O)C12CCN(Cc1ccc(-c3ccc(OC)cc3[N+](=O)[O-])o1)CC2 ZINC000538737271 1007019143 /nfs/dbraw/zinc/01/91/43/1007019143.db2.gz SPIXWJWXSQMFIA-LEWJYISDSA-N 0 3 416.474 3.615 20 5 HHBDHN CCCCCC(=O)NC1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000532938797 1007310606 /nfs/dbraw/zinc/31/06/06/1007310606.db2.gz FWJOATZFHIQRSD-UHFFFAOYSA-N 0 3 414.506 3.953 20 5 HHBDHN Cc1c([C@@H](C)NC[C@H](O)COc2ccccc2Br)cccc1[N+](=O)[O-] ZINC000539056565 1007351848 /nfs/dbraw/zinc/35/18/48/1007351848.db2.gz PTPVJJOCWFVLGK-KGLIPLIRSA-N 0 3 409.280 3.756 20 5 HHBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@H](C)c1cccc(N2CCCC2)c1 ZINC000539379509 1007684233 /nfs/dbraw/zinc/68/42/33/1007684233.db2.gz DZJVHEFLUHKQRG-CVEARBPZSA-N 0 3 412.490 3.881 20 5 HHBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3ccc(OCc4ccccn4)cc3)C2)nc1 ZINC000533378720 1007690697 /nfs/dbraw/zinc/69/06/97/1007690697.db2.gz OZXRGLZFJYDZNC-GOSISDBHSA-N 0 3 405.458 3.650 20 5 HHBDHN Cc1c(NC(=O)CCN2CCC[C@@H]2c2cccc3c2OCCO3)cccc1[N+](=O)[O-] ZINC000533399289 1007710815 /nfs/dbraw/zinc/71/08/15/1007710815.db2.gz YCRINQYZIVCWJX-LJQANCHMSA-N 0 3 411.458 3.840 20 5 HHBDHN COC(=O)CC1(NCc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])CCCCC1 ZINC000533526619 1007846601 /nfs/dbraw/zinc/84/66/01/1007846601.db2.gz ROFULVADLIYMBL-UHFFFAOYSA-N 0 3 402.394 3.560 20 5 HHBDHN CN(C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000533926531 1008210263 /nfs/dbraw/zinc/21/02/63/1008210263.db2.gz JLPMFCNQIAQDGY-FQEVSTJZSA-N 0 3 406.486 3.742 20 5 HHBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@@H](O)COc1ccccc1Br ZINC000540157004 1008314947 /nfs/dbraw/zinc/31/49/47/1008314947.db2.gz XMBVPLCYCXNHLH-UKRRQHHQSA-N 0 3 409.280 3.756 20 5 HHBDHN CC[C@@H](NC[C@H](O)COc1ccccc1Br)c1cccc([N+](=O)[O-])c1 ZINC000540160122 1008315908 /nfs/dbraw/zinc/31/59/08/1008315908.db2.gz JJXRUCFBLBBGPQ-DOTOQJQBSA-N 0 3 409.280 3.838 20 5 HHBDHN COc1cc(C[NH2+]CCc2c[nH]c3ccc(Br)cc23)c([N+](=O)[O-])cc1[O-] ZINC000543243427 1008813768 /nfs/dbraw/zinc/81/37/68/1008813768.db2.gz KUVUHUCQDIGRDC-UHFFFAOYSA-N 0 3 420.263 3.885 20 5 HHBDHN O=C(NCCCN1CCc2ccccc2C1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000549281542 1008851857 /nfs/dbraw/zinc/85/18/57/1008851857.db2.gz ZQAXGZZWYGGOFY-UHFFFAOYSA-N 0 3 407.392 3.792 20 5 HHBDHN Cc1c([C@H](C)NCCC(=O)Nc2ccc([N+](=O)[O-])cc2)cnn1-c1ccc(F)cc1 ZINC000543474995 1009065644 /nfs/dbraw/zinc/06/56/44/1009065644.db2.gz WJWFIZUZABYOLI-AWEZNQCLSA-N 0 3 411.437 3.907 20 5 HHBDHN COc1ccc(CN[C@H](C)CC(=O)Nc2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000543998528 1009599366 /nfs/dbraw/zinc/59/93/66/1009599366.db2.gz MSPMRDKRTCOLQE-GFCCVEGCSA-N 0 3 422.279 3.873 20 5 HHBDHN O=[N+]([O-])c1ccccc1-c1ccc(CNCCN2CCN(c3ccccc3)CC2)o1 ZINC000520954831 1010003600 /nfs/dbraw/zinc/00/36/00/1010003600.db2.gz ROOVCNNHOHGFHE-UHFFFAOYSA-N 0 3 406.486 3.767 20 5 HHBDHN CS(=O)(=O)Nc1cccc(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)c1 ZINC000520955274 1010004435 /nfs/dbraw/zinc/00/44/35/1010004435.db2.gz LVIXKCBOGOPPDB-UHFFFAOYSA-N 0 3 417.512 3.985 20 5 HHBDHN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000521574957 1010474279 /nfs/dbraw/zinc/47/42/79/1010474279.db2.gz HZGKIXRLEPYAJQ-AWEZNQCLSA-N 0 3 423.872 3.745 20 5 HHBDHN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000521957154 1010735659 /nfs/dbraw/zinc/73/56/59/1010735659.db2.gz UIUCPLWEXUCGTR-HUUCEWRRSA-N 0 3 405.882 3.652 20 5 HHBDHN CC(C)N1CCN(c2ccc(C(=O)N3CCCc4ccc([N+](=O)[O-])cc43)cc2)CC1 ZINC000522873057 1011315961 /nfs/dbraw/zinc/31/59/61/1011315961.db2.gz DPGZAZZAFCJKIY-UHFFFAOYSA-N 0 3 408.502 3.718 20 5 HHBDHN NC(=O)[C@@H](CNCc1ccc(-c2cccc([N+](=O)[O-])c2)o1)Cc1ccccc1Cl ZINC000540716287 1011366718 /nfs/dbraw/zinc/36/67/18/1011366718.db2.gz IGKYLWKMBMBGCX-MRXNPFEDSA-N 0 3 413.861 3.942 20 5 HHBDHN COc1ccc(CN2CCC[C@@H]([C@H](C)O)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000540961719 1011602840 /nfs/dbraw/zinc/60/28/40/1011602840.db2.gz GEJFMCZYSMEKLX-QFBILLFUSA-N 0 3 400.475 3.775 20 5 HHBDHN COC(=O)[C@@H](C)Oc1ccc(CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000536678874 1011841125 /nfs/dbraw/zinc/84/11/25/1011841125.db2.gz NVCOXHHOAXGATE-MRXNPFEDSA-N 0 3 414.458 3.579 20 5 HHBDHN C[C@@H](N[C@H]1CCN(c2cnn(C)c2)C1=O)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000536859970 1012094107 /nfs/dbraw/zinc/09/41/07/1012094107.db2.gz XTCQATCNOLPBCC-CJNGLKHVSA-N 0 3 411.487 3.513 20 5 HHBDHN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)CCCN(C)Cc1ccco1 ZINC000552268376 1012278933 /nfs/dbraw/zinc/27/89/33/1012278933.db2.gz HHCOGGUGXWLVJF-AWEZNQCLSA-N 0 3 408.886 3.622 20 5 HHBDHN C[C@H](NC(=O)N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1)c1ccccc1[N+](=O)[O-] ZINC000537097259 1012459655 /nfs/dbraw/zinc/45/96/55/1012459655.db2.gz HMDYTJUPEOTXQU-KSZLIROESA-N 0 3 418.538 3.577 20 5 HHBDHN CN(CCc1ccccc1[N+](=O)[O-])C(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000552614681 1012618487 /nfs/dbraw/zinc/61/84/87/1012618487.db2.gz GFVQGAIHAZTMIQ-LJQANCHMSA-N 0 3 417.456 3.753 20 5 HHBDHN CN1CCC(N(Cc2ccco2)C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000523954093 1012694771 /nfs/dbraw/zinc/69/47/71/1012694771.db2.gz NNERNWNJCKUMEI-UHFFFAOYSA-N 0 3 421.881 3.733 20 5 HHBDHN C[C@H](C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000571493305 1072640277 /nfs/dbraw/zinc/64/02/77/1072640277.db2.gz KTVREZYGBKCYSI-HRAATJIYSA-N 0 3 424.501 3.503 20 5 HHBDHN COc1cc(CN2CC[C@H](Nc3ccc([N+](=O)[O-])c4cnccc34)C2)cc(OC)c1 ZINC000301580219 970988557 /nfs/dbraw/zinc/98/85/57/970988557.db2.gz SKNOKDTUUJPJAV-INIZCTEOSA-N 0 3 408.458 3.847 20 5 HHBDHN COc1ccc([C@H](CN2CCCC2)Nc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)cc1 ZINC000553182817 1013141176 /nfs/dbraw/zinc/14/11/76/1013141176.db2.gz YPYPRIXMWONILH-IBGZPJMESA-N 0 3 409.446 3.501 20 5 HHBDHN CCN(Cc1cc(OC)c(OC)cc1[N+](=O)[O-])CC1CCN(c2ccccn2)CC1 ZINC000537616705 1013157818 /nfs/dbraw/zinc/15/78/18/1013157818.db2.gz WFBSHBYELRUNMD-UHFFFAOYSA-N 0 3 414.506 3.746 20 5 HHBDHN CCc1nc(C)c([C@H](C)N(C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)s1 ZINC000303849728 972389623 /nfs/dbraw/zinc/38/96/23/972389623.db2.gz DIDKBHHYEFNUMH-ZDUSSCGKSA-N 0 3 406.508 3.952 20 5 HHBDHN Cc1ccc(S(=O)(=O)N(C)[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000303871807 972413128 /nfs/dbraw/zinc/41/31/28/972413128.db2.gz XQCOGDIWOKRMOP-IEBWSBKVSA-N 0 3 417.531 3.577 20 5 HHBDHN CC[C@@](C)(COc1ncccc1Cl)NCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000537681367 1013242424 /nfs/dbraw/zinc/24/24/24/1013242424.db2.gz BKTPOJKKUMJMQG-IBGZPJMESA-N 0 3 406.870 3.727 20 5 HHBDHN O=[N+]([O-])c1cccc2ncnc(NCCCCN3CCN(c4ccccc4)CC3)c21 ZINC000542519804 1013463852 /nfs/dbraw/zinc/46/38/52/1013463852.db2.gz OBPMONIZNVZXJK-UHFFFAOYSA-N 0 3 406.490 3.552 20 5 HHBDHN COc1ccc(CN(C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1OC(F)F ZINC000026453632 964570416 /nfs/dbraw/zinc/57/04/16/964570416.db2.gz GXFJEOJUSHMWCL-UHFFFAOYSA-N 0 3 423.416 3.974 20 5 HHBDHN COc1ccc(CN(C)CCC(=O)Nc2ccccc2[N+](=O)[O-])cc1OC(F)F ZINC000026453635 964570623 /nfs/dbraw/zinc/57/06/23/964570623.db2.gz CQPFFVUXMZJFEP-UHFFFAOYSA-N 0 3 409.389 3.665 20 5 HHBDHN COc1ccc(CN(C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1OC(F)F ZINC000026453628 964570712 /nfs/dbraw/zinc/57/07/12/964570712.db2.gz GZMODABQIJOOFO-UHFFFAOYSA-N 0 3 423.416 3.974 20 5 HHBDHN CC(C)[C@H](NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc(Cl)cc1 ZINC000054667716 965601148 /nfs/dbraw/zinc/60/11/48/965601148.db2.gz PEXYWCVRZPTKEG-IBGZPJMESA-N 0 3 405.838 3.902 20 5 HHBDHN C[C@@H](NC(=O)N(CCN(C)C)Cc1ccc(F)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000062488647 966690064 /nfs/dbraw/zinc/69/00/64/966690064.db2.gz BGFUSCLKGQLCHS-CQSZACIVSA-N 0 3 406.433 3.707 20 5 HHBDHN CNC(=O)c1ccc(NC[C@H](c2cccs2)N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000064904815 967323795 /nfs/dbraw/zinc/32/37/95/967323795.db2.gz SXLLYPARVTUFBE-GOSISDBHSA-N 0 3 402.520 3.901 20 5 HHBDHN O=C(NCCCN1CCc2ccccc2C1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000064908156 967325634 /nfs/dbraw/zinc/32/56/34/967325634.db2.gz OLAFEERPFMBAHZ-UHFFFAOYSA-N 0 3 422.510 3.897 20 5 HHBDHN C[C@H]1C[C@H]1N1CCN(C(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000554129105 1013811132 /nfs/dbraw/zinc/81/11/32/1013811132.db2.gz YYWAKLWYBIAKTE-BBTUJRGHSA-N 0 3 414.550 3.633 20 5 HHBDHN Cc1ccc([C@@H](C)NC[C@H](O)COc2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000538278731 1013816822 /nfs/dbraw/zinc/81/68/22/1013816822.db2.gz BLDXIJPBXGYZTQ-CJNGLKHVSA-N 0 3 409.280 3.756 20 5 HHBDHN CCN(CC)CCN(CC(C)C)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000071894754 968882910 /nfs/dbraw/zinc/88/29/10/968882910.db2.gz ASQSKCVEWCELNK-UHFFFAOYSA-N 0 3 407.558 3.981 20 5 HHBDHN CCN1CCN(Cc2ccc(CNc3ccc([N+](=O)[O-])c4cnccc34)cc2)CC1 ZINC000107657665 969322717 /nfs/dbraw/zinc/32/27/17/969322717.db2.gz SYXUEIZWYUSBMP-UHFFFAOYSA-N 0 3 405.502 3.893 20 5 HHBDHN O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1N1CCC(CN2CCOCC2)CC1 ZINC000108081732 969355981 /nfs/dbraw/zinc/35/59/81/969355981.db2.gz RPSCWDMRJVHGCP-UHFFFAOYSA-N 0 3 407.820 3.816 20 5 HHBDHN Cc1c(Cl)cc(S(=O)(=O)N2CCC[C@@H](N3[C@H](C)CC[C@@H]3C)C2)cc1[N+](=O)[O-] ZINC000115844460 969856989 /nfs/dbraw/zinc/85/69/89/969856989.db2.gz AMODAEVSWMQTHZ-VNHYZAJKSA-N 0 3 415.943 3.583 20 5 HHBDHN CCOc1ccc([N+](=O)[O-])cc1CNCc1ccccc1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000236854112 970180330 /nfs/dbraw/zinc/18/03/30/970180330.db2.gz VYBSOSNSTMBCPS-HDICACEKSA-N 0 3 413.518 3.893 20 5 HHBDHN CN1CCN(c2ccc(CNCc3ccc(-c4ccccc4[N+](=O)[O-])s3)cn2)CC1 ZINC000237109711 970224077 /nfs/dbraw/zinc/22/40/77/970224077.db2.gz KADQTYODZDWWLZ-UHFFFAOYSA-N 0 3 423.542 3.760 20 5 HHBDHN COc1cc(CNCc2ccccc2CN(C)Cc2ccco2)c([N+](=O)[O-])cc1O ZINC000237210425 970242454 /nfs/dbraw/zinc/24/24/54/970242454.db2.gz QVXROVOAETVFQS-UHFFFAOYSA-N 0 3 411.458 3.824 20 5 HHBDHN CN1CCN(c2ccc(C(F)(F)F)cc2CNCc2ccccc2[N+](=O)[O-])CC1 ZINC000237234241 970246428 /nfs/dbraw/zinc/24/64/28/970246428.db2.gz GZRDZFPTOPCUKI-UHFFFAOYSA-N 0 3 408.424 3.655 20 5 HHBDHN COc1ccc(CNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1OC(F)F ZINC000237449781 970290929 /nfs/dbraw/zinc/29/09/29/970290929.db2.gz DTXDALYIZMGCLC-UHFFFAOYSA-N 0 3 418.400 3.895 20 5 HHBDHN O=C(CCN1CCC(Oc2ccc(F)cc2F)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000409858127 973327265 /nfs/dbraw/zinc/32/72/65/973327265.db2.gz WEFSSUNJVAKYCV-UHFFFAOYSA-N 0 3 405.401 3.745 20 5 HHBDHN C[C@@H]1CN(CCC2CCN(c3ccc([N+](=O)[O-])c(OC(F)F)c3)CC2)C[C@@H](C)O1 ZINC000426390925 974428209 /nfs/dbraw/zinc/42/82/09/974428209.db2.gz NCLSDNAIXJMZLP-HUUCEWRRSA-N 0 3 413.465 3.912 20 5 HHBDHN COc1ccc(-c2ccc(CN3CCN(C4CCOCC4)C[C@H]3C)o2)c([N+](=O)[O-])c1 ZINC000426552259 974523404 /nfs/dbraw/zinc/52/34/04/974523404.db2.gz JEEOSNCXWYOESE-MRXNPFEDSA-N 0 3 415.490 3.549 20 5 HHBDHN COc1cc(Br)ccc1CN[C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000427842950 975317206 /nfs/dbraw/zinc/31/72/06/975317206.db2.gz LGXGERWENFKYTK-GFCCVEGCSA-N 0 3 422.279 3.873 20 5 HHBDHN O=C(Nc1cccc(CN2CC[C@@H](O)C2)c1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000428534594 975830510 /nfs/dbraw/zinc/83/05/10/975830510.db2.gz GDEZJFVYZWUBCZ-LJQANCHMSA-N 0 3 413.477 3.500 20 5 HHBDHN Cc1c(NC(=O)N2CCC(CCN3C[C@@H](C)O[C@@H](C)C3)CC2)cccc1[N+](=O)[O-] ZINC000429224560 976517630 /nfs/dbraw/zinc/51/76/30/976517630.db2.gz XUAJWZPFFWNXFP-IYBDPMFKSA-N 0 3 404.511 3.646 20 5 HHBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCN(c2cccc(F)c2)C[C@@H]1C ZINC000429226419 976518632 /nfs/dbraw/zinc/51/86/32/976518632.db2.gz KXHVOJBXXZJINL-INIZCTEOSA-N 0 3 400.454 3.582 20 5 HHBDHN C[C@H](N[C@@H]1Cc2cccc(O)c2C1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000429311210 976582486 /nfs/dbraw/zinc/58/24/86/976582486.db2.gz YJJGTPGTWABZSE-SWLSCSKDSA-N 0 3 424.482 3.508 20 5 HHBDHN CNC(=O)[C@]1(C)CCN(Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000430766172 977742689 /nfs/dbraw/zinc/74/26/89/977742689.db2.gz UIJOOZCLDCXRCU-HXUWFJFHSA-N 0 3 403.866 3.999 20 5 HHBDHN CN(C)CCN(Cc1ccccc1)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431788579 978514431 /nfs/dbraw/zinc/51/44/31/978514431.db2.gz LGNXFPGOJDPUBG-UHFFFAOYSA-N 0 3 406.280 3.561 20 5 HHBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000434057224 979796050 /nfs/dbraw/zinc/79/60/50/979796050.db2.gz NBDKAKUFSISDHL-MOPGFXCFSA-N 0 3 400.523 3.530 20 5 HHBDHN Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000434322676 980086062 /nfs/dbraw/zinc/08/60/62/980086062.db2.gz WXBOKPCHGUBXBV-HXUWFJFHSA-N 0 3 405.458 3.799 20 5 HHBDHN CCN1CCN(Cc2ccccc2CNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000436307742 981290033 /nfs/dbraw/zinc/29/00/33/981290033.db2.gz LUJFGDBOAKFYTG-UHFFFAOYSA-N 0 3 423.439 3.758 20 5 HHBDHN O=[N+]([O-])c1cnc(C(F)(F)F)cc1NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000436362012 981325172 /nfs/dbraw/zinc/32/51/72/981325172.db2.gz IEDWZCSDWZGQNU-HNNXBMFYSA-N 0 3 410.396 3.712 20 5 HHBDHN C[C@@H]1CCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CCN1Cc1ccccc1 ZINC000437468229 982098657 /nfs/dbraw/zinc/09/86/57/982098657.db2.gz CDWJWSJBZHSBHV-MRXNPFEDSA-N 0 3 420.469 3.585 20 5 HHBDHN C[C@@H]1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC000437473191 982102226 /nfs/dbraw/zinc/10/22/26/982102226.db2.gz GHYZHPSOKKOFAH-QGZVFWFLSA-N 0 3 408.502 3.906 20 5 HHBDHN COCCO[C@@H]1CCN(Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000438552051 982891529 /nfs/dbraw/zinc/89/15/29/982891529.db2.gz HIRORGZKIJQHOZ-JOCHJYFZSA-N 0 3 422.485 3.685 20 5 HHBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000439772108 983532726 /nfs/dbraw/zinc/53/27/26/983532726.db2.gz VTZJVWCLUSHKKG-HZPDHXFCSA-N 0 3 414.531 3.812 20 5 HHBDHN C[C@H](Nc1ccc(C(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000440912834 983968994 /nfs/dbraw/zinc/96/89/94/983968994.db2.gz OWEAKGHTQXCCCK-ZOBUZTSGSA-N 0 3 409.490 3.518 20 5 HHBDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000462182236 985161771 /nfs/dbraw/zinc/16/17/71/985161771.db2.gz SWWMLNADFINOFC-GUYCJALGSA-N 0 3 418.291 3.608 20 5 HHBDHN COc1cc(CN[C@H]2CCO[C@@H](C3CC3)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000462557562 985505905 /nfs/dbraw/zinc/50/59/05/985505905.db2.gz VJRSRTBUBPTJJN-DZGCQCFKSA-N 0 3 404.385 3.592 20 5 HHBDHN COc1ccc([C@@H](CNc2ccc([N+](=O)[O-])cc2OC(F)F)N(C)C)cc1OC ZINC000443447940 985613139 /nfs/dbraw/zinc/61/31/39/985613139.db2.gz SQCRFIPTGNJHEQ-OAHLLOKOSA-N 0 3 411.405 3.928 20 5 HHBDHN O=C(NCCc1ccccc1[N+](=O)[O-])Nc1ccc(CCN2CCSCC2)cc1 ZINC000467972027 985614541 /nfs/dbraw/zinc/61/45/41/985614541.db2.gz WYBYFNVPFRINPF-UHFFFAOYSA-N 0 3 414.531 3.550 20 5 HHBDHN C[C@H](CN1CCCCCC1)NC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444334570 986512340 /nfs/dbraw/zinc/51/23/40/986512340.db2.gz HXSILUDDSMCADP-CQSZACIVSA-N 0 3 413.468 3.954 20 5 HHBDHN O=C1[C@H](NC/C=C/c2ccccc2[N+](=O)[O-])CCCN1Cc1ccc(F)cc1F ZINC000468995246 986700623 /nfs/dbraw/zinc/70/06/23/986700623.db2.gz MAKBLCVYJPWUFO-MTGFJVSHSA-N 0 3 401.413 3.667 20 5 HHBDHN C[C@H](NC[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(Br)s1 ZINC000444766618 986926766 /nfs/dbraw/zinc/92/67/66/986926766.db2.gz MPKPYIBBPKZJMA-CMPLNLGQSA-N 0 3 401.282 3.509 20 5 HHBDHN Cc1cccc2nc(C3CCN(C[C@H](O)COc4ccccc4[N+](=O)[O-])CC3)oc21 ZINC000444781619 986938005 /nfs/dbraw/zinc/93/80/05/986938005.db2.gz IZKRHAHTLXVPQN-KRWDZBQOSA-N 0 3 411.458 3.664 20 5 HHBDHN COc1ccc(NC(=O)CCN2CC[C@H](c3c(F)cccc3F)C2)c([N+](=O)[O-])c1 ZINC000469453408 987139629 /nfs/dbraw/zinc/13/96/29/987139629.db2.gz YQESLASSKQJICK-ZDUSSCGKSA-N 0 3 405.401 3.700 20 5 HHBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H](c2c(F)cccc2F)C1 ZINC000469459082 987144518 /nfs/dbraw/zinc/14/45/18/987144518.db2.gz NZULHLLAWWLDGL-ZDUSSCGKSA-N 0 3 405.401 3.700 20 5 HHBDHN CCN1CCN(c2ccc(NC(=O)Nc3cc(F)cc([N+](=O)[O-])c3)c(C)c2)CC1 ZINC000470148244 988055824 /nfs/dbraw/zinc/05/58/24/988055824.db2.gz JKGNEDZFBNXKEI-UHFFFAOYSA-N 0 3 401.442 3.828 20 5 HHBDHN CN(C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000470678313 988703325 /nfs/dbraw/zinc/70/33/25/988703325.db2.gz NWNUHFGIJMKOMV-SFHVURJKSA-N 0 3 420.469 3.585 20 5 HHBDHN Cc1ccc(C)c(OC[C@H](O)CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1C ZINC000464783559 989012103 /nfs/dbraw/zinc/01/21/03/989012103.db2.gz MFSFRVBSAQABDV-HXUWFJFHSA-N 0 3 414.502 3.803 20 5 HHBDHN C[C@@H]1CCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CCN1Cc1ccccc1 ZINC000464842631 989090782 /nfs/dbraw/zinc/09/07/82/989090782.db2.gz JQNWTVSLOWVNON-QGZVFWFLSA-N 0 3 407.474 3.741 20 5 HHBDHN C[C@@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)[C@H](c1ccccc1)N(C)C ZINC000471572287 989773929 /nfs/dbraw/zinc/77/39/29/989773929.db2.gz GMPAXTARRVCMFX-VGOFRKELSA-N 0 3 410.518 3.619 20 5 HHBDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000466585197 991902102 /nfs/dbraw/zinc/90/21/02/991902102.db2.gz FXFSZYRKKYXZHV-RHSMWYFYSA-N 0 3 402.882 3.883 20 5 HHBDHN C[C@H]1C[C@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CN1Cc1ccccc1 ZINC000467697116 992953089 /nfs/dbraw/zinc/95/30/89/992953089.db2.gz QIZJOILIEGEXGI-PXNSSMCTSA-N 0 3 408.502 3.588 20 5 HHBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCCC[C@H]1CNC(=O)c1ccccc1 ZINC000472284606 993302368 /nfs/dbraw/zinc/30/23/68/993302368.db2.gz ZGHSMDQARJLUNJ-FQEVSTJZSA-N 0 3 424.501 3.516 20 5 HHBDHN O=C(NC[C@@H]1CCN(Cc2ccccc2)C1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000473295364 994148583 /nfs/dbraw/zinc/14/85/83/994148583.db2.gz QAOYEJMFVWQKRG-IBGZPJMESA-N 0 3 411.505 3.933 20 5 HHBDHN O=C(c1cccc2c(=O)c3ccccc3[nH]c12)N1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC000473567762 994435728 /nfs/dbraw/zinc/43/57/28/994435728.db2.gz JXGAFKUSMYLUEM-BGYRXZFFSA-N 0 3 423.516 3.885 20 5 HHBDHN CC(C)[C@@H](CN(C)Cc1ccccc1)NCc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000482150784 995104099 /nfs/dbraw/zinc/10/40/99/995104099.db2.gz MBXIPOKUAUPDOS-HXUWFJFHSA-N 0 3 409.490 3.891 20 5 HHBDHN CCOC(=O)C[C@H]1C[C@H](OC)CN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000482501785 995511670 /nfs/dbraw/zinc/51/16/70/995511670.db2.gz CTIRLHPBZKMFNA-SJORKVTESA-N 0 3 404.488 3.866 20 5 HHBDHN Cc1ccc(CN(C)C)cc1NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000482629216 995623796 /nfs/dbraw/zinc/62/37/96/995623796.db2.gz KLPHTCGQABGERY-OAQYLSRUSA-N 0 3 424.501 3.517 20 5 HHBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000482883428 995815606 /nfs/dbraw/zinc/81/56/06/995815606.db2.gz YTFCFCNGMFAZOC-INIZCTEOSA-N 0 3 423.604 3.943 20 5 HHBDHN CN(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000482985043 995902010 /nfs/dbraw/zinc/90/20/10/995902010.db2.gz BPATXYDBNXYEBN-UXHICEINSA-N 0 3 418.856 3.666 20 5 HHBDHN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](SC)[C@@H](N2CCCC2)C1 ZINC000483398135 996150884 /nfs/dbraw/zinc/15/08/84/996150884.db2.gz TXBBITXINSBXHD-FUHWJXTLSA-N 0 3 409.577 3.749 20 5 HHBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000475559906 996219073 /nfs/dbraw/zinc/21/90/73/996219073.db2.gz LOMAEIALUYJUEU-ROUUACIJSA-N 0 3 418.538 3.955 20 5 HHBDHN COC(=O)c1cc(NC(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)c(C)c([N+](=O)[O-])c1 ZINC000483597137 996276300 /nfs/dbraw/zinc/27/63/00/996276300.db2.gz ZABDPKFGSJMDES-AUUYWEPGSA-N 0 3 414.462 3.503 20 5 HHBDHN CN(C)CCN(C)C(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 ZINC000476036923 996558251 /nfs/dbraw/zinc/55/82/51/996558251.db2.gz YLRKAOLWWIYUGC-UHFFFAOYSA-N 0 3 424.860 3.883 20 5 HHBDHN CC1(C)CN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CC[C@H]1C(F)(F)F ZINC000484362784 996730646 /nfs/dbraw/zinc/73/06/46/996730646.db2.gz UGPWLESJQVRFCG-OAHLLOKOSA-N 0 3 401.385 3.803 20 5 HHBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1CCCC[C@@H]1Oc1ccccc1C ZINC000484660309 996998601 /nfs/dbraw/zinc/99/86/01/996998601.db2.gz ZNGZFSJSNHDCNB-XLIONFOSSA-N 0 3 413.474 3.830 20 5 HHBDHN CN(CCNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)Cc1ccc(F)cc1 ZINC000484832065 997198284 /nfs/dbraw/zinc/19/82/84/997198284.db2.gz VEYAAXRYOKCHSX-UHFFFAOYSA-N 0 3 400.454 3.514 20 5 HHBDHN CC(C)c1n[n-]c(C(=O)NC[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1[N+](=O)[O-] ZINC000476977564 997597845 /nfs/dbraw/zinc/59/78/45/997597845.db2.gz AGJGDRWJMNBMQB-SJKOYZFVSA-N 0 3 423.876 3.657 20 5 HHBDHN CC(C)c1n[n-]c(C(=O)NC[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1[N+](=O)[O-] ZINC000476977564 997597854 /nfs/dbraw/zinc/59/78/54/997597854.db2.gz AGJGDRWJMNBMQB-SJKOYZFVSA-N 0 3 423.876 3.657 20 5 HHBDHN COc1c(C(=O)Nc2cc(C)cc(N3CCN(C(C)C)CC3)c2)cccc1[N+](=O)[O-] ZINC000477026957 997659738 /nfs/dbraw/zinc/65/97/38/997659738.db2.gz SNKFFWUHIWWVCC-UHFFFAOYSA-N 0 3 412.490 3.695 20 5 HHBDHN Cc1c(NC(=O)CCN(C)[C@H](C)c2ccc([S@@](C)=O)cc2)cccc1[N+](=O)[O-] ZINC000477065690 997711121 /nfs/dbraw/zinc/71/11/21/997711121.db2.gz IKMXMUKYLGMHMH-WQIZZMQYSA-N 0 3 403.504 3.662 20 5 HHBDHN O=C(CCN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)Nc1cccc(C(F)(F)F)c1 ZINC000485666041 998120204 /nfs/dbraw/zinc/12/02/04/998120204.db2.gz DOOYRRYNSNQJQM-HNNXBMFYSA-N 0 3 423.395 3.524 20 5 HHBDHN Cc1cc([N+](=O)[O-])ccc1CN(C)[C@H](C)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000485701192 998165100 /nfs/dbraw/zinc/16/51/00/998165100.db2.gz LXLIMUZMCBMNIO-MRXNPFEDSA-N 0 3 403.504 3.636 20 5 HHBDHN CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C[C@@H]1N(C)C ZINC000478448009 998964589 /nfs/dbraw/zinc/96/45/89/998964589.db2.gz IPCOGNYGDZUCPB-HKUYNNGSSA-N 0 3 401.488 3.505 20 5 HHBDHN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1CCCN(Cc2ccccc2)CC1 ZINC000488275335 999420054 /nfs/dbraw/zinc/42/00/54/999420054.db2.gz YNRXCAMLFUMCOV-UHFFFAOYSA-N 0 3 416.909 3.708 20 5 HHBDHN CCN1CCN(Cc2ccc(CNc3ccc4ncccc4c3[N+](=O)[O-])cc2)CC1 ZINC000480451865 999802230 /nfs/dbraw/zinc/80/22/30/999802230.db2.gz XLDXIOZNTCWZAD-UHFFFAOYSA-N 0 3 405.502 3.893 20 5 HHBDHN COc1cc(CNC[C@](C)(O)C2CCCCC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000480453690 999802719 /nfs/dbraw/zinc/80/27/19/999802719.db2.gz FKDRXKXRUXLOHQ-SFHVURJKSA-N 0 3 420.428 3.965 20 5 HHBDHN COc1cc(CNc2cc(C)cc(N3CC[NH+](C(C)C)CC3)c2)c([N+](=O)[O-])cc1[O-] ZINC000480476371 999807816 /nfs/dbraw/zinc/80/78/16/999807816.db2.gz ZPXLSRQDEDKBAW-UHFFFAOYSA-N 0 3 414.506 3.760 20 5 HHBDHN COc1ccc(OCCN2CCC(n3ccc(C(F)(F)F)n3)CC2)c([N+](=O)[O-])c1 ZINC000492558321 1000132628 /nfs/dbraw/zinc/13/26/28/1000132628.db2.gz MYBLXHOALWYOEF-UHFFFAOYSA-N 0 3 414.384 3.535 20 5 HHBDHN O=[N+]([O-])c1ccc(OCCCN(CCO)Cc2cc(Br)cs2)cc1 ZINC000494251968 1000389953 /nfs/dbraw/zinc/38/99/53/1000389953.db2.gz UQYCMAVSAPTKKH-UHFFFAOYSA-N 0 3 415.309 3.682 20 5 HHBDHN CCOc1ccc([C@H](C)NC[C@H](c2ccc(C)o2)N2CCOCC2)cc1[N+](=O)[O-] ZINC000504921901 1000449577 /nfs/dbraw/zinc/44/95/77/1000449577.db2.gz VYZKVQOTZRYGDR-QFBILLFUSA-N 0 3 403.479 3.619 20 5 HHBDHN C[C@H](CC(=O)NCCc1ccccc1)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000494526804 1000538720 /nfs/dbraw/zinc/53/87/20/1000538720.db2.gz MNWJGBVCPNBGNX-CQSZACIVSA-N 0 3 409.408 3.841 20 5 HHBDHN C[C@@H](CC(=O)NCCc1ccccc1)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000494526802 1000538911 /nfs/dbraw/zinc/53/89/11/1000538911.db2.gz MNWJGBVCPNBGNX-AWEZNQCLSA-N 0 3 409.408 3.841 20 5 HHBDHN C[C@@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])[C@@H](c1ccccc1)N(C)C ZINC000505637106 1000947880 /nfs/dbraw/zinc/94/78/80/1000947880.db2.gz QUCWQAKKCGSVCG-TYILLQQXSA-N 0 3 405.882 3.823 20 5 HHBDHN COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(CN(C)C)ccc1C ZINC000495389780 1000995554 /nfs/dbraw/zinc/99/55/54/1000995554.db2.gz SYEBKEXCNYFTBN-UHFFFAOYSA-N 0 3 403.504 3.956 20 5 HHBDHN CN(C)C[C@H](NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000497784254 1001513316 /nfs/dbraw/zinc/51/33/16/1001513316.db2.gz SVSWPHUKKGAPGQ-FQEVSTJZSA-N 0 3 402.470 3.659 20 5 HHBDHN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC1CCN(CCOC(C)C)CC1 ZINC000506781742 1001527227 /nfs/dbraw/zinc/52/72/27/1001527227.db2.gz UCZPIVLFWLJTJA-UHFFFAOYSA-N 0 3 409.552 3.716 20 5 HHBDHN C[C@H]1CCCN(c2ccc(C(=O)NCCN(C)Cc3ccccc3)cc2[N+](=O)[O-])C1 ZINC000507462068 1002085376 /nfs/dbraw/zinc/08/53/76/1002085376.db2.gz CDKKFTQZFNWKKH-SFHVURJKSA-N 0 3 410.518 3.693 20 5 HHBDHN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000507571532 1002176573 /nfs/dbraw/zinc/17/65/73/1002176573.db2.gz WJKJWBVYUKTQOT-MRXNPFEDSA-N 0 3 407.474 3.877 20 5 HHBDHN O=C(c1cc([N+](=O)[O-])c[nH]1)N(CCN1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000499357479 1002755913 /nfs/dbraw/zinc/75/59/13/1002755913.db2.gz DUTASALSCQKDKO-UHFFFAOYSA-N 0 3 411.289 3.968 20 5 HHBDHN Cc1c(Br)cc(C(=O)NC[C@H](c2ccccc2)N(C)C)cc1[N+](=O)[O-] ZINC000508396907 1002887297 /nfs/dbraw/zinc/88/72/97/1002887297.db2.gz YKYDBQPVXQSUPX-QGZVFWFLSA-N 0 3 406.280 3.698 20 5 HHBDHN COc1ccc(-c2ccc(CN[C@H](CO)Cc3ccc(F)cc3)o2)c([N+](=O)[O-])c1 ZINC000500244338 1003577777 /nfs/dbraw/zinc/57/77/77/1003577777.db2.gz FFMUNPHDFHEMLW-INIZCTEOSA-N 0 3 400.406 3.696 20 5 HHBDHN COc1ccc([C@H](CN2CCCC2)NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)cc1 ZINC000500416275 1003703431 /nfs/dbraw/zinc/70/34/31/1003703431.db2.gz USVRYCDEVHFHPT-NRFANRHFSA-N 0 3 408.458 3.652 20 5 HHBDHN CCN1CCC[C@@H](CN(C)c2ccc([N+](=O)[O-])c(OC(F)F)c2)[C@@H]1c1cnn(C)c1 ZINC000509615695 1003982493 /nfs/dbraw/zinc/98/24/93/1003982493.db2.gz FPVCBLDFNINFOS-IFXJQAMLSA-N 0 3 423.464 3.839 20 5 HHBDHN COC(=O)[C@@H](C)CN(C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000509785155 1004094821 /nfs/dbraw/zinc/09/48/21/1004094821.db2.gz FPVQZQCVQJNDNM-NSHDSACASA-N 0 3 411.252 3.858 20 5 HHBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000509825948 1004125985 /nfs/dbraw/zinc/12/59/85/1004125985.db2.gz IYFMJBGQQYVZFV-UHFFFAOYSA-N 0 3 420.579 3.876 20 5 HHBDHN COc1ccccc1O[C@H]1CCCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000513364987 1004927241 /nfs/dbraw/zinc/92/72/41/1004927241.db2.gz CZJVOYHUCTZORZ-SFHVURJKSA-N 0 3 413.474 3.784 20 5 HHBDHN CCCn1nccc1C1CCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000502334748 1005017831 /nfs/dbraw/zinc/01/78/31/1005017831.db2.gz SHLCXVSCFDGBGC-UHFFFAOYSA-N 0 3 408.506 3.981 20 5 HHBDHN CCCOc1cc(NC(=O)N[C@H](C)C2=CCN(C)CC2)c([N+](=O)[O-])cc1OCCC ZINC000511249321 1005090914 /nfs/dbraw/zinc/09/09/14/1005090914.db2.gz OHELXYLDSFLJKC-OAHLLOKOSA-N 0 3 420.510 3.944 20 5 HHBDHN Cn1ccnc1[C@@H](NC[C@@H](c1ccccc1)N1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000513761133 1005113872 /nfs/dbraw/zinc/11/38/72/1005113872.db2.gz MHMQLGHDDABCSE-VXKWHMMOSA-N 0 3 405.502 3.844 20 5 HHBDHN COc1ccc(-c2ccc(CN3CCCC[C@@H]3CN3CCOCC3)o2)c([N+](=O)[O-])c1 ZINC000514095316 1005263060 /nfs/dbraw/zinc/26/30/60/1005263060.db2.gz QRDZFOMQMVBBAX-QGZVFWFLSA-N 0 3 415.490 3.550 20 5 HHBDHN CCCN(CCC(=O)Nc1cccc([N+](=O)[O-])c1C)[C@H](C)C(=O)Nc1ccccc1 ZINC000502912647 1005271701 /nfs/dbraw/zinc/27/17/01/1005271701.db2.gz NVNGNYJXRZTXHZ-QGZVFWFLSA-N 0 3 412.490 3.971 20 5 HHBDHN O=C(NC[C@H]1CCCN1Cc1ccccc1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000514186918 1005303471 /nfs/dbraw/zinc/30/34/71/1005303471.db2.gz UCKKQEDPAMALHE-MRXNPFEDSA-N 0 3 405.401 3.591 20 5 HHBDHN O=[N+]([O-])c1ccc(-c2noc(CN3C[C@H](c4ccccc4)[C@@H]4COCC[C@@H]43)n2)cc1 ZINC000511780635 1005323801 /nfs/dbraw/zinc/32/38/01/1005323801.db2.gz ITOSCMLXBIDQRD-AABGKKOBSA-N 0 3 406.442 3.649 20 5 HHBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])NCC(=O)N[C@@H]1CCOc2ccccc21 ZINC000503855546 1005500854 /nfs/dbraw/zinc/50/08/54/1005500854.db2.gz LAKXDVJFXQQUSS-NVXWUHKLSA-N 0 3 415.515 3.695 20 5 HHBDHN CN(CCN(Cc1ccccc1)C(=O)c1cc([N+](=O)[O-])cn1C)Cc1ccccc1 ZINC000531150846 1006019598 /nfs/dbraw/zinc/01/95/98/1006019598.db2.gz GTMXIBCQVYRZPO-UHFFFAOYSA-N 0 3 406.486 3.708 20 5 HHBDHN CN1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cn2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000531882267 1006496588 /nfs/dbraw/zinc/49/65/88/1006496588.db2.gz ZCQXMQWZZPCXPQ-KSSFIOAISA-N 0 3 422.407 3.822 20 5 HHBDHN C[C@H]1CCCN(c2ccc(C(=O)NC[C@H](Cc3ccccc3)N(C)C)cc2[N+](=O)[O-])C1 ZINC000534520527 1006516975 /nfs/dbraw/zinc/51/69/75/1006516975.db2.gz DGCCJGDIMQLCHK-RXVVDRJESA-N 0 3 424.545 3.734 20 5 HHBDHN CS(=O)(=O)[C@H]1CCC[C@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000538419192 1006687127 /nfs/dbraw/zinc/68/71/27/1006687127.db2.gz DSXRSZPYQHTKLG-WFASDCNBSA-N 0 3 412.895 3.954 20 5 HHBDHN CSc1ccc([C@H](CNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)N(C)C)cc1 ZINC000515906572 1006751468 /nfs/dbraw/zinc/75/14/68/1006751468.db2.gz WEPVACPRDLXYEJ-SFHVURJKSA-N 0 3 409.458 3.557 20 5 HHBDHN COc1cc(CN[C@@H](C)Cc2cc(C)n[nH]2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000532269697 1006759185 /nfs/dbraw/zinc/75/91/85/1006759185.db2.gz QBTACUHVTOATPH-HNNXBMFYSA-N 0 3 410.474 3.935 20 5 HHBDHN COc1cc(CN[C@@H](C)Cc2cc(C)[nH]n2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000532269697 1006759197 /nfs/dbraw/zinc/75/91/97/1006759197.db2.gz QBTACUHVTOATPH-HNNXBMFYSA-N 0 3 410.474 3.935 20 5 HHBDHN COc1cc(CN[C@H]2CCc3c[nH]nc3C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000532328803 1006796472 /nfs/dbraw/zinc/79/64/72/1006796472.db2.gz NDHQDLCLTBBBNZ-SFHVURJKSA-N 0 3 408.458 3.553 20 5 HHBDHN COC(=O)CC1(NCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CCOCC1 ZINC000538603361 1006876918 /nfs/dbraw/zinc/87/69/18/1006876918.db2.gz BKOLWCLAKKNXNC-UHFFFAOYSA-N 0 3 408.838 3.710 20 5 HHBDHN CC(C)CN1CCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2Cc2ccccc2)CC1 ZINC000516094774 1006878829 /nfs/dbraw/zinc/87/88/29/1006878829.db2.gz ZLEQARCFRIDSJB-UHFFFAOYSA-N 0 3 420.517 3.680 20 5 HHBDHN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCN(CC2CCCCC2)CC1 ZINC000532926347 1007298532 /nfs/dbraw/zinc/29/85/32/1007298532.db2.gz JMKCMGRWLZHVID-OAHLLOKOSA-N 0 3 408.930 3.773 20 5 HHBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000535312839 1007364500 /nfs/dbraw/zinc/36/45/00/1007364500.db2.gz IIDFLTHBUBOIHK-IBGZPJMESA-N 0 3 420.473 3.854 20 5 HHBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H]1c1nnc(-c2ccccc2)[n-]1 ZINC000535312839 1007364514 /nfs/dbraw/zinc/36/45/14/1007364514.db2.gz IIDFLTHBUBOIHK-IBGZPJMESA-N 0 3 420.473 3.854 20 5 HHBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H]1c1nnc(-c2ccccc2)[n-]1 ZINC000535312839 1007364530 /nfs/dbraw/zinc/36/45/30/1007364530.db2.gz IIDFLTHBUBOIHK-IBGZPJMESA-N 0 3 420.473 3.854 20 5 HHBDHN COc1ccc(CN[C@H](C)CC(=O)Nc2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000539073319 1007365271 /nfs/dbraw/zinc/36/52/71/1007365271.db2.gz PNYLPSRRVFLRMT-GFCCVEGCSA-N 0 3 422.279 3.873 20 5 HHBDHN COc1cc(C[NH2+][C@@H](C)Cc2cc(Br)ccc2F)c([N+](=O)[O-])cc1[O-] ZINC000539104857 1007392331 /nfs/dbraw/zinc/39/23/31/1007392331.db2.gz ZITNZDLGULCENH-JTQLQIEISA-N 0 3 413.243 3.931 20 5 HHBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCC(Nc2ccc(F)cc2)CC1 ZINC000533052699 1007416142 /nfs/dbraw/zinc/41/61/42/1007416142.db2.gz RDPWBUUWMLGPQY-UHFFFAOYSA-N 0 3 414.437 3.608 20 5 HHBDHN CN1CC[C@H](NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)[C@@H]1c1ccccc1 ZINC000535394602 1007461098 /nfs/dbraw/zinc/46/10/98/1007461098.db2.gz JOYPZNIFWANMLY-VXKWHMMOSA-N 0 3 424.501 3.593 20 5 HHBDHN Cc1ccc(NC(=O)NC[C@H]2CCCN(CCOc3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000533365472 1007673770 /nfs/dbraw/zinc/67/37/70/1007673770.db2.gz BGQUWNUQIOXZOU-GOSISDBHSA-N 0 3 412.490 3.816 20 5 HHBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000533480650 1007788551 /nfs/dbraw/zinc/78/85/51/1007788551.db2.gz DJVNHBMSPCYLHH-UHFFFAOYSA-N 0 3 421.457 3.598 20 5 HHBDHN O=C(NC[C@H]1CCCN(CCOc2ccc([N+](=O)[O-])cc2)C1)Nc1cccc(F)c1 ZINC000533508183 1007823844 /nfs/dbraw/zinc/82/38/44/1007823844.db2.gz PWHVCMZMUJTCDE-MRXNPFEDSA-N 0 3 416.453 3.646 20 5 HHBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[C@H](C)N(Cc3ccccc3)CC2)c1 ZINC000539527465 1007836319 /nfs/dbraw/zinc/83/63/19/1007836319.db2.gz MHAYDCANJHASFZ-IBGZPJMESA-N 0 3 411.502 3.795 20 5 HHBDHN CN(CCn1cccn1)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000539830856 1008124317 /nfs/dbraw/zinc/12/43/17/1008124317.db2.gz ZDVVVFIXXSFGAP-UHFFFAOYSA-N 0 3 402.458 3.776 20 5 HHBDHN COc1ccc([C@@H](CN2CCCC2)NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000539931960 1008190784 /nfs/dbraw/zinc/19/07/84/1008190784.db2.gz OXJZMTFKOMNCBT-HXUWFJFHSA-N 0 3 417.893 3.753 20 5 HHBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@H](O)COc1ccccc1Br ZINC000540157006 1008315027 /nfs/dbraw/zinc/31/50/27/1008315027.db2.gz XMBVPLCYCXNHLH-ZFWWWQNUSA-N 0 3 409.280 3.756 20 5 HHBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000540408239 1008420357 /nfs/dbraw/zinc/42/03/57/1008420357.db2.gz PYSRQZCRPKTGLK-MRXNPFEDSA-N 0 3 410.474 3.709 20 5 HHBDHN O=C(CN[C@@H](c1ccc(F)cc1)C1CCCC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000540408941 1008420818 /nfs/dbraw/zinc/42/08/18/1008420818.db2.gz LWHTVJLHVFSNOW-OAQYLSRUSA-N 0 3 415.421 3.922 20 5 HHBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCCN(CCCc3ccccc3)CC2)c1 ZINC000549036490 1008604628 /nfs/dbraw/zinc/60/46/28/1008604628.db2.gz NOQIWFMKVXGICX-UHFFFAOYSA-N 0 3 411.502 3.774 20 5 HHBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC000543232064 1008799513 /nfs/dbraw/zinc/79/95/13/1008799513.db2.gz MJRNKXZVYTVPTD-HXUWFJFHSA-N 0 3 412.490 3.548 20 5 HHBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC000519842045 1009025281 /nfs/dbraw/zinc/02/52/81/1009025281.db2.gz ONBPFMLVZUDVEG-KRWDZBQOSA-N 0 3 424.270 3.838 20 5 HHBDHN COC(=O)C[C@H](N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CCCCC1 ZINC000543460557 1009046345 /nfs/dbraw/zinc/04/63/45/1009046345.db2.gz OLELTNOQALACGS-SJCJKPOMSA-N 0 3 411.886 3.677 20 5 HHBDHN COC(=O)C[C@@H](N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CCCCC1 ZINC000543460559 1009046778 /nfs/dbraw/zinc/04/67/78/1009046778.db2.gz OLELTNOQALACGS-SJKOYZFVSA-N 0 3 411.886 3.677 20 5 HHBDHN CCN1CCN(c2ccc(NC(=O)Nc3ccc([N+](=O)[O-])cc3F)c(C)c2)CC1 ZINC000543640265 1009243722 /nfs/dbraw/zinc/24/37/22/1009243722.db2.gz BOWRAAHZODBBQN-UHFFFAOYSA-N 0 3 401.442 3.828 20 5 HHBDHN CCN(CC)[C@@H](CNC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)c1ccsc1 ZINC000520675526 1009747598 /nfs/dbraw/zinc/74/75/98/1009747598.db2.gz UUJOLCCUIGKFFF-SFHVURJKSA-N 0 3 418.519 3.643 20 5 HHBDHN O=C1[C@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CCCN1Cc1ccccn1 ZINC000544182955 1009786776 /nfs/dbraw/zinc/78/67/76/1009786776.db2.gz IAGGLYZDJXXITF-HXUWFJFHSA-N 0 3 422.510 3.999 20 5 HHBDHN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000520990417 1010030333 /nfs/dbraw/zinc/03/03/33/1010030333.db2.gz MOGXABMYCLORSA-CQSZACIVSA-N 0 3 423.872 3.745 20 5 HHBDHN CC(C)[C@@H](NCCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)c1nnc2ccccn21 ZINC000544433471 1010057957 /nfs/dbraw/zinc/05/79/57/1010057957.db2.gz KBERNCNWCKOCNH-HXUWFJFHSA-N 0 3 406.446 3.822 20 5 HHBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000550649954 1010083049 /nfs/dbraw/zinc/08/30/49/1010083049.db2.gz LCQWNSRMFKCTHH-KRWDZBQOSA-N 0 3 406.280 3.698 20 5 HHBDHN O=[N+]([O-])c1ccc(NC[C@@H](c2cccs2)N2CCCC2)c(F)c1N1CCOCC1 ZINC000521312781 1010297615 /nfs/dbraw/zinc/29/76/15/1010297615.db2.gz GVFCWQKXVSAFTQ-KRWDZBQOSA-N 0 3 420.510 3.881 20 5 HHBDHN CS[C@H]1CN(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)C[C@H]1N(C)C ZINC000544790409 1010385343 /nfs/dbraw/zinc/38/53/43/1010385343.db2.gz IZBSFWFODZNNAX-MOPGFXCFSA-N 0 3 416.503 3.896 20 5 HHBDHN Cc1c(Cl)cccc1N1CCCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000551443413 1010588748 /nfs/dbraw/zinc/58/87/48/1010588748.db2.gz ABADJZLKAOVVNR-KRWDZBQOSA-N 0 3 419.909 3.509 20 5 HHBDHN COc1cc(CNc2cc(CN(C)C)ccn2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000540808139 1011469700 /nfs/dbraw/zinc/46/97/00/1011469700.db2.gz WPXZWIYRAAOQIR-UHFFFAOYSA-N 0 3 414.384 3.613 20 5 HHBDHN COc1ccc2c(c1)C[C@H](C)N(CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)[C@H]2C ZINC000541059689 1011699382 /nfs/dbraw/zinc/69/93/82/1011699382.db2.gz NLJRPGNHELHLLH-GJZGRUSLSA-N 0 3 413.474 3.948 20 5 HHBDHN CCC1(O)CCN(Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000536680734 1011843992 /nfs/dbraw/zinc/84/39/92/1011843992.db2.gz BKBKRNVWZHUYMP-UHFFFAOYSA-N 0 3 400.475 3.919 20 5 HHBDHN CCCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000536696145 1011863555 /nfs/dbraw/zinc/86/35/55/1011863555.db2.gz KOVRKKOXMWFQKM-MRXNPFEDSA-N 0 3 401.429 3.916 20 5 HHBDHN O=[N+]([O-])c1ccc(-c2ccc(CN[C@@H](C3CC3)[C@@]3(CO)CCCO3)o2)c(Cl)c1 ZINC000552146936 1012167786 /nfs/dbraw/zinc/16/77/86/1012167786.db2.gz DZZGQJDYEBKRMK-PMACEKPBSA-N 0 3 406.866 3.918 20 5 HHBDHN C[C@H](NC(=O)N1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1)c1ccccc1[N+](=O)[O-] ZINC000537097260 1012460254 /nfs/dbraw/zinc/46/02/54/1012460254.db2.gz HMDYTJUPEOTXQU-KURKYZTESA-N 0 3 418.538 3.577 20 5 HHBDHN COc1ccc([C@@H](CN(C)C)NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000552816436 1012824071 /nfs/dbraw/zinc/82/40/71/1012824071.db2.gz QCHJKRAONNZSBJ-IFXJQAMLSA-N 0 3 403.504 3.503 20 5 HHBDHN CCCN(C)[C@H](CNC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000553016730 1012990375 /nfs/dbraw/zinc/99/03/75/1012990375.db2.gz FHEYRXWNGVLIGP-OAHLLOKOSA-N 0 3 407.902 3.908 20 5 HHBDHN Cc1cc([N+](=O)[O-])nn1Cc1cccc(-c2nc(-c3ccc(CN(C)C)cc3)no2)c1 ZINC000904623241 1071817383 /nfs/dbraw/zinc/81/73/83/1071817383.db2.gz AGZSAPDTPRFVDT-UHFFFAOYSA-N 0 3 418.457 3.927 20 5 HHBDHN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCN(c2ccnc3ccccc32)CC1 ZINC000588841042 1073300685 /nfs/dbraw/zinc/30/06/85/1073300685.db2.gz IIPWASWDAKHADL-UHFFFAOYSA-N 0 3 401.426 3.587 20 5 HHBDHN CC[C@@H]1CN(C)CCCN1C(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000590536846 1073913908 /nfs/dbraw/zinc/91/39/08/1073913908.db2.gz BFWBJQHMYPEWAI-ZHALLVOQSA-N 0 3 402.539 3.633 20 5 HHBDHN CN1CC[C@@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@H]1c1ccc(Cl)cc1 ZINC000573409544 1074401153 /nfs/dbraw/zinc/40/11/53/1074401153.db2.gz WAYWTTVSXZOYSO-IEBWSBKVSA-N 0 3 423.300 3.875 20 5 HHBDHN Cc1ccc([C@@H](CNc2ccc([N+](=O)[O-])cc2N2CCOC2=O)N2CCCC2)o1 ZINC000301405965 970912566 /nfs/dbraw/zinc/91/25/66/970912566.db2.gz LSCNUIVUBNSJNS-GOSISDBHSA-N 0 3 400.435 3.702 20 5 HHBDHN O=[N+]([O-])c1cnc2ccc(NCC3CCN(Cc4ccccc4Cl)CC3)nn21 ZINC000301966304 971135365 /nfs/dbraw/zinc/13/53/65/971135365.db2.gz KPBYNTHKJTXDAP-UHFFFAOYSA-N 0 3 400.870 3.615 20 5 HHBDHN CN1CCC(N(Cc2ccco2)C(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000524255775 1013067024 /nfs/dbraw/zinc/06/70/24/1013067024.db2.gz QPGIHKWHUGWHNP-UHFFFAOYSA-N 0 3 422.279 3.687 20 5 HHBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000537681532 1013241745 /nfs/dbraw/zinc/24/17/45/1013241745.db2.gz KOPWSUNBYNQRSR-QZTJIDSGSA-N 0 3 417.550 3.872 20 5 HHBDHN COC(=O)c1ccc([N+](=O)[O-])c(N2CCN(Cc3ccccc3)C3(CCCCC3)C2)n1 ZINC000553445176 1013359777 /nfs/dbraw/zinc/35/97/77/1013359777.db2.gz IAKUOBJBPYPCKL-UHFFFAOYSA-N 0 3 424.501 3.802 20 5 HHBDHN COc1cccc([C@@H]2[C@@H](Nc3ncnc4sc([N+](=O)[O-])cc43)CCN2C2CC2)c1 ZINC000553518851 1013417890 /nfs/dbraw/zinc/41/78/90/1013417890.db2.gz NQFZBYRXWUWDME-FUHWJXTLSA-N 0 3 411.487 3.998 20 5 HHBDHN CCc1ccc([C@H](NC[C@@H](C(C)C)N2CCN(C)CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000542481718 1013429619 /nfs/dbraw/zinc/42/96/19/1013429619.db2.gz APVWJVRRXQSELL-JTHBVZDNSA-N 0 3 414.550 3.701 20 5 HHBDHN O=[N+]([O-])c1cccc2ncnc(NC3CCN(CCOc4ccc(F)cc4)CC3)c21 ZINC000542507163 1013452297 /nfs/dbraw/zinc/45/22/97/1013452297.db2.gz JTFXWEALXDHAAK-UHFFFAOYSA-N 0 3 411.437 3.632 20 5 HHBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[C@@H](c3nc4ccccc4s3)C2)c1 ZINC000026713305 964655091 /nfs/dbraw/zinc/65/50/91/964655091.db2.gz MPWFHFILFLVCSK-NVXWUHKLSA-N 0 3 413.499 3.824 20 5 HHBDHN CC(C)[C@@H](NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc(Cl)cc1 ZINC000054667718 965601206 /nfs/dbraw/zinc/60/12/06/965601206.db2.gz PEXYWCVRZPTKEG-LJQANCHMSA-N 0 3 405.838 3.902 20 5 HHBDHN CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@H](c2ccccc2)N2CCCC2)cc1OC ZINC000032217672 966202454 /nfs/dbraw/zinc/20/24/54/966202454.db2.gz KYUJRXHPIZVQJM-LJQANCHMSA-N 0 3 413.474 3.569 20 5 HHBDHN CN(C)[C@H](CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)Cc1ccccc1 ZINC000065087016 967371138 /nfs/dbraw/zinc/37/11/38/967371138.db2.gz PZEVDSHXTZVHOI-SFHVURJKSA-N 0 3 410.499 3.621 20 5 HHBDHN Cc1nccn1-c1ccc([C@H](C)N[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000542885129 1013732655 /nfs/dbraw/zinc/73/26/55/1013732655.db2.gz PFQPMNZBVXZWSH-YCRPNKLZSA-N 0 3 405.458 3.545 20 5 HHBDHN CC(C)Oc1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)N(C)C)cc1 ZINC000554015275 1013755129 /nfs/dbraw/zinc/75/51/29/1013755129.db2.gz TWBOVUSLKRRWMI-NRFANRHFSA-N 0 3 422.485 3.963 20 5 HHBDHN COc1ccc(NC(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000542932675 1013767652 /nfs/dbraw/zinc/76/76/52/1013767652.db2.gz VVIMABKYCFZLDP-IBGZPJMESA-N 0 3 423.391 3.997 20 5 HHBDHN COc1ccc([C@@H](CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)N2CCCC2)cc1 ZINC000065716295 968610561 /nfs/dbraw/zinc/61/05/61/968610561.db2.gz SVNLHZYFUZSTCW-JOCHJYFZSA-N 0 3 422.485 3.511 20 5 HHBDHN Cc1ccc([C@@H](C)NC[C@@H](O)COc2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000538278733 1013817333 /nfs/dbraw/zinc/81/73/33/1013817333.db2.gz BLDXIJPBXGYZTQ-CZUORRHYSA-N 0 3 409.280 3.756 20 5 HHBDHN O=C(CCNc1ccccc1[N+](=O)[O-])Nc1ccc(CCN2CCSCC2)cc1 ZINC000138690560 970007896 /nfs/dbraw/zinc/00/78/96/970007896.db2.gz JEDUXZVGJROYQK-UHFFFAOYSA-N 0 3 414.531 3.627 20 5 HHBDHN COc1cc(C[NH2+]CCCc2nc(-c3ccncc3)cs2)c([N+](=O)[O-])cc1[O-] ZINC000237394404 970276591 /nfs/dbraw/zinc/27/65/91/970276591.db2.gz WKIZHNAQYRTMIY-UHFFFAOYSA-N 0 3 400.460 3.550 20 5 HHBDHN CS[C@@H](CO)[C@@H](C)NCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000237409093 970279852 /nfs/dbraw/zinc/27/98/52/970279852.db2.gz USSOMCRYLPTOKO-HWPZZCPQSA-N 0 3 415.309 3.819 20 5 HHBDHN CS[C@H](CO)[C@@H](C)NCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000237420480 970282666 /nfs/dbraw/zinc/28/26/66/970282666.db2.gz USSOMCRYLPTOKO-QLJPJBMISA-N 0 3 415.309 3.819 20 5 HHBDHN COc1ccc(-c2ccc(CNCCC(=O)NC3CCCCC3)o2)c([N+](=O)[O-])c1 ZINC000237425564 970283354 /nfs/dbraw/zinc/28/33/54/970283354.db2.gz ZTFCDWHPIAMDKZ-UHFFFAOYSA-N 0 3 401.463 3.792 20 5 HHBDHN O=C1C[C@@H](NCc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CN1C1CC1 ZINC000237733382 970349518 /nfs/dbraw/zinc/34/95/18/970349518.db2.gz YQOIJJUIXOANCJ-OAHLLOKOSA-N 0 3 401.850 3.893 20 5 HHBDHN CC(C)NC(=O)c1ccc(NCC2(N3CCSCC3)CCCC2)c([N+](=O)[O-])c1 ZINC000301058310 970726754 /nfs/dbraw/zinc/72/67/54/970726754.db2.gz ASLFMARTVDOANQ-UHFFFAOYSA-N 0 3 406.552 3.507 20 5 HHBDHN Cc1cccc(N2CCN(CCC(=O)N(Cc3cccc([N+](=O)[O-])c3)C3CC3)CC2)c1 ZINC000428717591 976007293 /nfs/dbraw/zinc/00/72/93/976007293.db2.gz KSFPQUBAFONQKH-UHFFFAOYSA-N 0 3 422.529 3.607 20 5 HHBDHN CCN1CCN(c2ccc(F)cc2[C@@H](C)NCc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000430197658 977385994 /nfs/dbraw/zinc/38/59/94/977385994.db2.gz VWHLMUVXGSRXTI-MRXNPFEDSA-N 0 3 416.497 3.735 20 5 HHBDHN CN(C)CCN(Cc1cccs1)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431509105 978338327 /nfs/dbraw/zinc/33/83/27/978338327.db2.gz BMCLVOIDBOFBIK-UHFFFAOYSA-N 0 3 412.309 3.623 20 5 HHBDHN CN1CCC(N(Cc2ccco2)C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000431790095 978515128 /nfs/dbraw/zinc/51/51/28/978515128.db2.gz VSJWCJAJIVPMGQ-UHFFFAOYSA-N 0 3 422.279 3.687 20 5 HHBDHN COc1cc(CN2CCC(c3ncc4n3CCCC4)CC2)c([N+](=O)[O-])cc1OC ZINC000435061486 980605407 /nfs/dbraw/zinc/60/54/07/980605407.db2.gz ZWJVHEBGKLBSMT-UHFFFAOYSA-N 0 3 400.479 3.524 20 5 HHBDHN O=C(N[C@H]1CCN(C2CCCC2)C1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000436417930 981357799 /nfs/dbraw/zinc/35/77/99/981357799.db2.gz GOOONCOKICLQNS-AWEZNQCLSA-N 0 3 411.452 3.706 20 5 HHBDHN O=C(N[C@H]1CCCN(Cc2ccccc2)C1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437991396 982510548 /nfs/dbraw/zinc/51/05/48/982510548.db2.gz XKMYYLUUXDFHOF-FQEVSTJZSA-N 0 3 408.502 3.933 20 5 HHBDHN C[C@@H](NC[C@H](O)COc1cc(F)cc(Br)c1)c1cccc([N+](=O)[O-])c1 ZINC000439440601 983410318 /nfs/dbraw/zinc/41/03/18/983410318.db2.gz OMROPVGXIPIXRF-BZNIZROVSA-N 0 3 413.243 3.587 20 5 HHBDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000462158037 985131370 /nfs/dbraw/zinc/13/13/70/985131370.db2.gz KCINCRDIJOEVDK-ACJLOTCBSA-N 0 3 418.291 3.608 20 5 HHBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000462777655 985713290 /nfs/dbraw/zinc/71/32/90/985713290.db2.gz NQZBCHGICMUVSK-HKUYNNGSSA-N 0 3 410.518 3.900 20 5 HHBDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000463276435 986242994 /nfs/dbraw/zinc/24/29/94/986242994.db2.gz PDWVQXPJZPIYLV-LAUBAEHRSA-N 0 3 408.502 3.789 20 5 HHBDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000463291334 986258326 /nfs/dbraw/zinc/25/83/26/986258326.db2.gz WZECOYJGUXCFME-VGOFRKELSA-N 0 3 408.502 3.789 20 5 HHBDHN CSc1ccc(C(=O)Nc2cccc(CN3CCC(O)CC3)c2)cc1[N+](=O)[O-] ZINC000444455592 986638742 /nfs/dbraw/zinc/63/87/42/986638742.db2.gz UHURTEPUALBCDQ-UHFFFAOYSA-N 0 3 401.488 3.526 20 5 HHBDHN COC(=O)C[C@]1(NCc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CCOC1 ZINC000463717624 986703524 /nfs/dbraw/zinc/70/35/24/986703524.db2.gz QHFRPYZQBSGESU-HXUWFJFHSA-N 0 3 420.849 3.852 20 5 HHBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])NCc1ccc(S(C)(=O)=O)s1 ZINC000469269754 986988500 /nfs/dbraw/zinc/98/85/00/986988500.db2.gz UWRLAYLAGKKKGS-LBPRGKRZSA-N 0 3 400.547 3.720 20 5 HHBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000469562119 987232185 /nfs/dbraw/zinc/23/21/85/987232185.db2.gz MNLCACLBQFHTDJ-KRWDZBQOSA-N 0 3 410.396 3.688 20 5 HHBDHN CN(C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000470654570 988670585 /nfs/dbraw/zinc/67/05/85/988670585.db2.gz UNRQLWNYHOLLAJ-FQEVSTJZSA-N 0 3 419.485 3.517 20 5 HHBDHN CC(C)N1CCC[C@H](NC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)C1 ZINC000470677718 988702409 /nfs/dbraw/zinc/70/24/09/988702409.db2.gz KIVZPVGUHPWVAZ-WMZOPIPTSA-N 0 3 411.506 3.766 20 5 HHBDHN O=C([C@@H]1CCCN1Cc1ccccc1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464658791 988850957 /nfs/dbraw/zinc/85/09/57/988850957.db2.gz FYDSKOSKOYNMPH-QFIPXVFZSA-N 0 3 409.486 3.629 20 5 HHBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000464785743 989015070 /nfs/dbraw/zinc/01/50/70/989015070.db2.gz RWOSBFFPBMQVMZ-LJQANCHMSA-N 0 3 403.454 3.880 20 5 HHBDHN CCN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)CC1CCN(c2ccccn2)CC1 ZINC000464808604 989040908 /nfs/dbraw/zinc/04/09/08/989040908.db2.gz XOUYCTWCEXTGFP-UHFFFAOYSA-N 0 3 422.489 3.778 20 5 HHBDHN CCN1CCN(c2cccc(NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3F)c2)CC1 ZINC000471640892 989846859 /nfs/dbraw/zinc/84/68/59/989846859.db2.gz CDYUCUBKQIRKFC-UHFFFAOYSA-N 0 3 414.481 3.792 20 5 HHBDHN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N1CCCN(Cc2ccccc2)CC1 ZINC000467218141 992542733 /nfs/dbraw/zinc/54/27/33/992542733.db2.gz OBPQSNHKWZPPBJ-UHFFFAOYSA-N 0 3 402.882 3.666 20 5 HHBDHN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@H]2CN(C3CC3)C[C@@H]2C)cc1 ZINC000467717542 992971166 /nfs/dbraw/zinc/97/11/66/992971166.db2.gz DBQHBPQSZFKYEX-XOBRGWDASA-N 0 3 411.458 3.608 20 5 HHBDHN CC(C)c1ccc(C(=O)Nc2ccccc2CN2CCC[C@@H](C(N)=O)C2)cc1[N+](=O)[O-] ZINC000467841287 993073732 /nfs/dbraw/zinc/07/37/32/993073732.db2.gz YUYXBPVHNBBDCG-GOSISDBHSA-N 0 3 424.501 3.668 20 5 HHBDHN CN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000472456196 993458508 /nfs/dbraw/zinc/45/85/08/993458508.db2.gz RJVNZKOJWGNSSO-HXUWFJFHSA-N 0 3 407.474 3.741 20 5 HHBDHN CCC[C@@H](NCc1ccc(N2CCCS2(=O)=O)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000480714303 993583977 /nfs/dbraw/zinc/58/39/77/993583977.db2.gz YIVTXRSAHUKZQE-LJQANCHMSA-N 0 3 421.494 3.905 20 5 HHBDHN CC[C@H](NCc1ccc(N2CCCS2(=O)=O)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000480720551 993588763 /nfs/dbraw/zinc/58/87/63/993588763.db2.gz SVNMKFCNMHIVBE-SFHVURJKSA-N 0 3 407.467 3.515 20 5 HHBDHN COc1cccc(CN(CCN(C)C)C(=O)c2ccc(SC)c([N+](=O)[O-])c2)c1 ZINC000482341648 995320057 /nfs/dbraw/zinc/32/00/57/995320057.db2.gz FHQVVPCIHMVSGJ-UHFFFAOYSA-N 0 3 403.504 3.529 20 5 HHBDHN COC(=O)COc1ccc(CN[C@H]2c3cccc(F)c3CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000474351629 995331252 /nfs/dbraw/zinc/33/12/52/995331252.db2.gz LVNKXFKQIBWNGL-YEJXKQKISA-N 0 3 402.422 3.699 20 5 HHBDHN COc1cccc(CN(CCN(C)C)C(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)c1 ZINC000482390876 995376184 /nfs/dbraw/zinc/37/61/84/995376184.db2.gz AVLPWCGXSTUGNQ-INIZCTEOSA-N 0 3 417.531 3.674 20 5 HHBDHN CN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000482985042 995902105 /nfs/dbraw/zinc/90/21/05/995902105.db2.gz BPATXYDBNXYEBN-PMACEKPBSA-N 0 3 418.856 3.666 20 5 HHBDHN O=[N+]([O-])c1ccc(OCCN[C@H](CO)c2ccc(Cl)cc2C(F)(F)F)cc1 ZINC000483253839 996062618 /nfs/dbraw/zinc/06/26/18/996062618.db2.gz LNERPIBZNDVQJW-MRXNPFEDSA-N 0 3 404.772 3.969 20 5 HHBDHN COc1cc(CN[C@@H]2CCCC[C@@H]2n2cccn2)c([N+](=O)[O-])cc1OCC(F)F ZINC000484626096 996958942 /nfs/dbraw/zinc/95/89/42/996958942.db2.gz XZVRVXXPIXKEIV-CABCVRRESA-N 0 3 410.421 3.717 20 5 HHBDHN COc1ccc(NC(=O)CN[C@H]2CCCC[C@@H]2Oc2cccc(C)c2)c([N+](=O)[O-])c1 ZINC000484651835 996988539 /nfs/dbraw/zinc/98/85/39/996988539.db2.gz NUIBFGRXNIOCOO-FPOVZHCZSA-N 0 3 413.474 3.830 20 5 HHBDHN COc1cc([N+](=O)[O-])c(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)cc1SC ZINC000484959204 997336781 /nfs/dbraw/zinc/33/67/81/997336781.db2.gz NFBPTWMRZZGIML-SFHVURJKSA-N 0 3 415.515 3.892 20 5 HHBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000477074797 997725923 /nfs/dbraw/zinc/72/59/23/997725923.db2.gz LPQLFQNECUZKDH-HBIPHATFSA-N 0 3 403.504 3.662 20 5 HHBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)[C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000477074800 997726181 /nfs/dbraw/zinc/72/61/81/997726181.db2.gz LPQLFQNECUZKDH-OHZJNBGDSA-N 0 3 403.504 3.662 20 5 HHBDHN COC(=O)c1cnc(NC[C@@H](c2cccc(C(F)(F)F)c2)N(C)C)c([N+](=O)[O-])c1 ZINC000477725136 998453509 /nfs/dbraw/zinc/45/35/09/998453509.db2.gz JGLJYQBDZBBXMM-HNNXBMFYSA-N 0 3 412.368 3.510 20 5 HHBDHN O=C(NC[C@@H]1CCCN1Cc1ccccc1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000487354184 999144972 /nfs/dbraw/zinc/14/49/72/999144972.db2.gz PRXRLLSNPXPKOY-QFIPXVFZSA-N 0 3 408.502 3.933 20 5 HHBDHN Cc1cccc(N2CCN(CCC(=O)N[C@H](C)c3ccc(C)c([N+](=O)[O-])c3)CC2)c1 ZINC000488110126 999379022 /nfs/dbraw/zinc/37/90/22/999379022.db2.gz POVJYZAHCTUSOJ-LJQANCHMSA-N 0 3 410.518 3.601 20 5 HHBDHN CCN(CC)[C@H](CNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)c1ccsc1 ZINC000479744039 999567919 /nfs/dbraw/zinc/56/79/19/999567919.db2.gz KHYNUUKUJLBBFZ-LJQANCHMSA-N 0 3 413.503 3.655 20 5 HHBDHN CN1CCC(N(Cc2ccccc2)C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000488677642 999568739 /nfs/dbraw/zinc/56/87/39/999568739.db2.gz MHFJTOBKNQIPHP-UHFFFAOYSA-N 0 3 410.518 3.910 20 5 HHBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[C@@H](c3nc4c(s3)CCCC4)C2)c1 ZINC000489103507 999700505 /nfs/dbraw/zinc/70/05/05/999700505.db2.gz PAZCXIBOPNLLEG-NVXWUHKLSA-N 0 3 417.531 3.549 20 5 HHBDHN Cc1ccc([C@H](CNC(=O)N(C)CCc2ccccc2[N+](=O)[O-])N2CCCC2)cc1 ZINC000489206737 999722552 /nfs/dbraw/zinc/72/25/52/999722552.db2.gz PMZDUJGOXBRMJH-QFIPXVFZSA-N 0 3 410.518 3.924 20 5 HHBDHN CCOC(=O)c1ccc(N2CCCN([C@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)nc1 ZINC000489977075 999872056 /nfs/dbraw/zinc/87/20/56/999872056.db2.gz JDIRWAVXJKAGEV-QGZVFWFLSA-N 0 3 412.490 3.748 20 5 HHBDHN CN(C(C)(C)CN1CCCCCC1)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000491830841 1000096293 /nfs/dbraw/zinc/09/62/93/1000096293.db2.gz GDJBZHHOVFKFTJ-UHFFFAOYSA-N 0 3 403.932 3.523 20 5 HHBDHN CC[C@@H](NC(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000493133454 1000159161 /nfs/dbraw/zinc/15/91/61/1000159161.db2.gz PMDUXGRAHRAEGD-LLGFUMIMSA-N 0 3 418.538 3.577 20 5 HHBDHN COc1cc(CNCCc2cc(F)ccc2F)c([N+](=O)[O-])cc1OCC(F)F ZINC000493762929 1000190720 /nfs/dbraw/zinc/19/07/20/1000190720.db2.gz HGSIVNVXRCIIGQ-UHFFFAOYSA-N 0 3 402.344 3.858 20 5 HHBDHN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000505575236 1000915607 /nfs/dbraw/zinc/91/56/07/1000915607.db2.gz QIEFXRAHHNXSLQ-YWZLYKJASA-N 0 3 417.531 3.755 20 5 HHBDHN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)[C@@H](c1ccccc1)N(C)C ZINC000505603999 1000929694 /nfs/dbraw/zinc/92/96/94/1000929694.db2.gz DQKRZKKRWAFSCO-PXAZEXFGSA-N 0 3 406.280 3.779 20 5 HHBDHN COc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)cc1SC ZINC000505639452 1000949046 /nfs/dbraw/zinc/94/90/46/1000949046.db2.gz YUHUDMMHDZBMRS-DJJJIMSYSA-N 0 3 403.504 3.747 20 5 HHBDHN COc1ccc(-c2ccc(CN3CCC(C(=O)N4CCCC4)CC3)o2)c([N+](=O)[O-])c1 ZINC000506310976 1001345571 /nfs/dbraw/zinc/34/55/71/1001345571.db2.gz UQDDYYBIAZDRII-UHFFFAOYSA-N 0 3 413.474 3.698 20 5 HHBDHN COc1cc([N+](=O)[O-])c(C(=O)N(CCN(C)C)Cc2ccccc2F)cc1SC ZINC000498126090 1001652979 /nfs/dbraw/zinc/65/29/79/1001652979.db2.gz NBQVLBYKJWURDH-UHFFFAOYSA-N 0 3 421.494 3.668 20 5 HHBDHN CN(C)CCN(Cc1ccccc1F)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000498457512 1001884908 /nfs/dbraw/zinc/88/49/08/1001884908.db2.gz NGCIQUMZHFRZKD-UHFFFAOYSA-N 0 3 422.888 3.703 20 5 HHBDHN C[C@@H](Nc1ccc(C(=O)NCCN2CCCC[C@@H]2C)cc1[N+](=O)[O-])c1ccccn1 ZINC000507369750 1002028580 /nfs/dbraw/zinc/02/85/80/1002028580.db2.gz GAMFEEPOIUTTIX-DLBZAZTESA-N 0 3 411.506 3.767 20 5 HHBDHN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000498935672 1002333309 /nfs/dbraw/zinc/33/33/09/1002333309.db2.gz LRMFGYDMEYUOIO-SWLSCSKDSA-N 0 3 409.450 3.581 20 5 HHBDHN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000498935672 1002333326 /nfs/dbraw/zinc/33/33/26/1002333326.db2.gz LRMFGYDMEYUOIO-SWLSCSKDSA-N 0 3 409.450 3.581 20 5 HHBDHN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000498935673 1002333766 /nfs/dbraw/zinc/33/37/66/1002333766.db2.gz LRMFGYDMEYUOIO-WFASDCNBSA-N 0 3 409.450 3.581 20 5 HHBDHN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000498935673 1002333779 /nfs/dbraw/zinc/33/37/79/1002333779.db2.gz LRMFGYDMEYUOIO-WFASDCNBSA-N 0 3 409.450 3.581 20 5 HHBDHN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCc1cc(Cl)c2c(c1)OCCCO2 ZINC000508345564 1002846965 /nfs/dbraw/zinc/84/69/65/1002846965.db2.gz VSAACTQURQSZJV-ZDUSSCGKSA-N 0 3 419.865 3.916 20 5 HHBDHN C[C@H](N[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)[C@H]1CCOC1 ZINC000500214491 1003556751 /nfs/dbraw/zinc/55/67/51/1003556751.db2.gz AEHXWJXINRVNSX-ZUEVXXBESA-N 0 3 403.866 3.943 20 5 HHBDHN COc1ccc([C@@H](CN2CCCC2)NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)cc1 ZINC000500407945 1003697940 /nfs/dbraw/zinc/69/79/40/1003697940.db2.gz MIMLRMSDDHMIGJ-OAQYLSRUSA-N 0 3 408.458 3.652 20 5 HHBDHN COc1ccc([C@H](CN2CCCC2)NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1 ZINC000500410709 1003699669 /nfs/dbraw/zinc/69/96/69/1003699669.db2.gz PVUJHXBVXCYYTJ-QFIPXVFZSA-N 0 3 422.485 3.581 20 5 HHBDHN COc1ccc([C@@H](CN2CCCC2)NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)cc1 ZINC000500416276 1003703233 /nfs/dbraw/zinc/70/32/33/1003703233.db2.gz USVRYCDEVHFHPT-OAQYLSRUSA-N 0 3 408.458 3.652 20 5 HHBDHN CN(C)CCN(Cc1ccc(Br)cc1)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000500986921 1004097308 /nfs/dbraw/zinc/09/73/08/1004097308.db2.gz CPZHWFGEHYAARN-UHFFFAOYSA-N 0 3 412.309 3.623 20 5 HHBDHN CC[C@@H](C)N[C@H](CNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ccco1 ZINC000501215437 1004286079 /nfs/dbraw/zinc/28/60/79/1004286079.db2.gz YZLMHLUJRIPBPX-CZUORRHYSA-N 0 3 408.886 3.812 20 5 HHBDHN O=[N+]([O-])c1ccc(CCN(CCn2ccnc2)Cc2ccc(Br)o2)cc1 ZINC000510932790 1004940957 /nfs/dbraw/zinc/94/09/57/1004940957.db2.gz BUIXUIDOPOJSPV-UHFFFAOYSA-N 0 3 419.279 3.892 20 5 HHBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])NCC(=O)N[C@H]1CCOc2ccccc21 ZINC000503855547 1005500961 /nfs/dbraw/zinc/50/09/61/1005500961.db2.gz LAKXDVJFXQQUSS-RDJZCZTQSA-N 0 3 415.515 3.695 20 5 HHBDHN CC(C)N1CCN(c2ccc(C(=O)N3c4ccc([N+](=O)[O-])cc4C[C@H]3C)cc2)CC1 ZINC000504275407 1005587874 /nfs/dbraw/zinc/58/78/74/1005587874.db2.gz WHFXPIZEICKCMO-QGZVFWFLSA-N 0 3 408.502 3.717 20 5 HHBDHN CCOc1cc(NC(=O)NC[C@H](c2ccccc2)N(C)C)c([N+](=O)[O-])cc1OCC ZINC000514543195 1006029588 /nfs/dbraw/zinc/02/95/88/1006029588.db2.gz STGBEFBDSCUMSU-GOSISDBHSA-N 0 3 416.478 3.817 20 5 HHBDHN Cc1ccc(Sc2ccc(CNCC3(CS(C)(=O)=O)CC3)cc2[N+](=O)[O-])cc1 ZINC000531206104 1006046632 /nfs/dbraw/zinc/04/66/32/1006046632.db2.gz LDPDPDPDFTWIPB-UHFFFAOYSA-N 0 3 420.556 3.969 20 5 HHBDHN CN(C)Cc1ccc(-c2noc(CCOc3ccc(Cl)cc3[N+](=O)[O-])n2)cc1 ZINC000531348278 1006140274 /nfs/dbraw/zinc/14/02/74/1006140274.db2.gz YKQIJKRZFNONKV-UHFFFAOYSA-N 0 3 402.838 3.981 20 5 HHBDHN O=C(NCC(F)(F)F)C1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000534342314 1006308407 /nfs/dbraw/zinc/30/84/07/1006308407.db2.gz QSQDFDJCBRHLBS-UHFFFAOYSA-N 0 3 411.380 3.745 20 5 HHBDHN Cc1ccc([C@H](C)NCc2ccc(CS(=O)(=O)NC(C)C)cc2)cc1[N+](=O)[O-] ZINC000531694818 1006358359 /nfs/dbraw/zinc/35/83/59/1006358359.db2.gz MRQACGOOHZMQFG-INIZCTEOSA-N 0 3 405.520 3.582 20 5 HHBDHN C[C@H]1CCCN(c2ccc(C(=O)NC[C@@H](Cc3ccccc3)N(C)C)cc2[N+](=O)[O-])C1 ZINC000534520525 1006516376 /nfs/dbraw/zinc/51/63/76/1006516376.db2.gz DGCCJGDIMQLCHK-GHTZIAJQSA-N 0 3 424.545 3.734 20 5 HHBDHN CC1CCN(c2ccc(C(=O)NC[C@H](Cc3ccccc3)N(C)C)cc2[N+](=O)[O-])CC1 ZINC000534520451 1006516642 /nfs/dbraw/zinc/51/66/42/1006516642.db2.gz POYRPWKQIHFGFL-NRFANRHFSA-N 0 3 424.545 3.734 20 5 HHBDHN C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000515733504 1006628895 /nfs/dbraw/zinc/62/88/95/1006628895.db2.gz WRVKLKRTIIMGAS-OAHLLOKOSA-N 0 3 421.494 3.587 20 5 HHBDHN C[C@@H]1CCCC[N@H+]1Cc1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000515733504 1006628905 /nfs/dbraw/zinc/62/89/05/1006628905.db2.gz WRVKLKRTIIMGAS-OAHLLOKOSA-N 0 3 421.494 3.587 20 5 HHBDHN Cc1ccc(Sc2ccc(CN[C@@H](C)CCS(C)(=O)=O)cc2[N+](=O)[O-])cc1 ZINC000532394789 1006842723 /nfs/dbraw/zinc/84/27/23/1006842723.db2.gz SFBPABHNCZAEJV-HNNXBMFYSA-N 0 3 408.545 3.967 20 5 HHBDHN CCO[C@H]1C[C@@H](O)C12CCN(Cc1ccc(-c3ccc(OC)cc3[N+](=O)[O-])o1)CC2 ZINC000538737273 1007020040 /nfs/dbraw/zinc/02/00/40/1007020040.db2.gz SPIXWJWXSQMFIA-RTWAWAEBSA-N 0 3 416.474 3.615 20 5 HHBDHN Cc1cccc(-c2nn(Cc3ccccc3)cc2CNCCn2cc([N+](=O)[O-])cn2)c1 ZINC000532675093 1007088762 /nfs/dbraw/zinc/08/87/62/1007088762.db2.gz RXRZUUKDGWNUPR-UHFFFAOYSA-N 0 3 416.485 3.801 20 5 HHBDHN COc1ccc(CN2CCC(CCO)CC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000535068929 1007089833 /nfs/dbraw/zinc/08/98/33/1007089833.db2.gz FIDCCKMWRLRUTM-UHFFFAOYSA-N 0 3 400.475 3.777 20 5 HHBDHN Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2CNCCn2cc([N+](=O)[O-])cn2)c1 ZINC000532866564 1007254204 /nfs/dbraw/zinc/25/42/04/1007254204.db2.gz WIYKMHTXRAXBTL-UHFFFAOYSA-N 0 3 420.448 3.881 20 5 HHBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])N[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000539050939 1007348368 /nfs/dbraw/zinc/34/83/68/1007348368.db2.gz UKNHQWGEICJBBM-QWHCGFSZSA-N 0 3 405.442 3.608 20 5 HHBDHN COc1ccc(CN(C)C)cc1NC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000533120577 1007465071 /nfs/dbraw/zinc/46/50/71/1007465071.db2.gz YDDTZRKGDFIRGN-UHFFFAOYSA-N 0 3 422.279 3.988 20 5 HHBDHN COc1ccc(-c2ccc(CNc3cc(C(N)=O)ccc3CN(C)C)o2)c([N+](=O)[O-])c1 ZINC000533220011 1007544342 /nfs/dbraw/zinc/54/43/42/1007544342.db2.gz YUJHAXKHJZLELM-UHFFFAOYSA-N 0 3 424.457 3.636 20 5 HHBDHN CCNC(=O)C(C)(C)CNCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000533307318 1007624150 /nfs/dbraw/zinc/62/41/50/1007624150.db2.gz ULIUFQDNKORYPJ-UHFFFAOYSA-N 0 3 424.295 3.869 20 5 HHBDHN Cc1ccc([C@H](C)NC[C@@H](O)COc2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000539382673 1007687783 /nfs/dbraw/zinc/68/77/83/1007687783.db2.gz QDOXGPYRDJWTEX-XJKSGUPXSA-N 0 3 409.280 3.756 20 5 HHBDHN CCN(CC)[C@@H](CNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)c1ccco1 ZINC000517647623 1007858724 /nfs/dbraw/zinc/85/87/24/1007858724.db2.gz LBNBSFPIXQKSCW-IBGZPJMESA-N 0 3 400.479 3.919 20 5 HHBDHN CCN1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000536037415 1008070254 /nfs/dbraw/zinc/07/02/54/1008070254.db2.gz ZOUYTXXTYSAPBF-KRWDZBQOSA-N 0 3 401.438 3.566 20 5 HHBDHN C[C@H](NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000540176446 1008323499 /nfs/dbraw/zinc/32/34/99/1008323499.db2.gz RAFFNQCOPKOJPX-NSHDSACASA-N 0 3 418.302 3.531 20 5 HHBDHN O=[N+]([O-])c1cccc(-c2ccc(CNCCN3CCN(c4ccccc4)CC3)o2)c1 ZINC000518770648 1008417032 /nfs/dbraw/zinc/41/70/32/1008417032.db2.gz VTZXZKGHPLKAOO-UHFFFAOYSA-N 0 3 406.486 3.767 20 5 HHBDHN C[C@H]([NH2+]C1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CCCC1)c1ccccc1 ZINC000518844668 1008442389 /nfs/dbraw/zinc/44/23/89/1008442389.db2.gz HIVYYNQXJZNZHK-AWEZNQCLSA-N 0 3 409.533 3.598 20 5 HHBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN(CCCN1CCOCC1)Cc1ccncc1 ZINC000519724743 1008978994 /nfs/dbraw/zinc/97/89/94/1008978994.db2.gz PKYLFTRRKZJPSE-CAPFRKAQSA-N 0 3 410.518 3.618 20 5 HHBDHN COc1cc(CNCCCc2nc(-c3ccc(F)cc3)no2)c([N+](=O)[O-])cc1OC ZINC000543411713 1009005969 /nfs/dbraw/zinc/00/59/69/1009005969.db2.gz QUKLAJSSKZAGQD-UHFFFAOYSA-N 0 3 416.409 3.524 20 5 HHBDHN CCN(C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@H]1CCN(Cc2ccccc2)C1 ZINC000546889799 1009850361 /nfs/dbraw/zinc/85/03/61/1009850361.db2.gz RGFUJIVGGLIYOF-FQEVSTJZSA-N 0 3 406.486 3.742 20 5 HHBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(CCN(C)C)c1ccccc1 ZINC000550646866 1010080593 /nfs/dbraw/zinc/08/05/93/1010080593.db2.gz DLWOCBJQORSTIY-UHFFFAOYSA-N 0 3 406.280 3.874 20 5 HHBDHN COc1ccc(CSCC(=O)NC[C@H](c2ccc(C)cc2)N(C)C)cc1[N+](=O)[O-] ZINC000521499578 1010414909 /nfs/dbraw/zinc/41/49/09/1010414909.db2.gz YCYUECFCIXAYDD-LJQANCHMSA-N 0 3 417.531 3.564 20 5 HHBDHN CCN(C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000544873926 1010454765 /nfs/dbraw/zinc/45/47/65/1010454765.db2.gz UBRGOIOHQAVVBT-GOSISDBHSA-N 0 3 420.469 3.585 20 5 HHBDHN CC[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)CCN1Cc1ccccc1 ZINC000545345036 1010740827 /nfs/dbraw/zinc/74/08/27/1010740827.db2.gz RJRUQCGVOUGSDG-HXUWFJFHSA-N 0 3 422.529 3.932 20 5 HHBDHN CN(C(=O)CN[C@@H](COc1ccccc1F)C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000540590798 1011247495 /nfs/dbraw/zinc/24/74/95/1011247495.db2.gz TULSENOIPZZIKT-IBGZPJMESA-N 0 3 403.454 3.780 20 5 HHBDHN C[C@@H](c1ccncc1)N1CCC(N[C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000552061780 1012079281 /nfs/dbraw/zinc/07/92/81/1012079281.db2.gz ZZNJRTLMUBTSCS-JTSKRJEESA-N 0 3 420.517 3.628 20 5 HHBDHN CCOc1ccc(NC(=O)CN[C@H](C[C@@H]2CCOC2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000537125893 1012508271 /nfs/dbraw/zinc/50/82/71/1012508271.db2.gz LUQDREADCFGBJJ-OXJNMPFZSA-N 0 3 413.474 3.690 20 5 HHBDHN CN(Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000541695431 1012542648 /nfs/dbraw/zinc/54/26/48/1012542648.db2.gz WIOFCMPEUJVXNH-QUCCMNQESA-N 0 3 402.422 3.953 20 5 HHBDHN C[C@@H](C(=O)Nc1cccc(CN2CCC(CO)CC2)c1)c1ccc([N+](=O)[O-])cc1F ZINC000541725843 1012577225 /nfs/dbraw/zinc/57/72/25/1012577225.db2.gz FSYTUSCEWPUNKI-OAHLLOKOSA-N 0 3 415.465 3.680 20 5 HHBDHN Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@H]2NCCOc2ccc([N+](=O)[O-])cc2)cc1 ZINC000541743468 1012599872 /nfs/dbraw/zinc/59/98/72/1012599872.db2.gz JAVZMHNFNYPAEN-NHCUHLMSSA-N 0 3 418.515 3.657 20 5 HHBDHN COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H]2C)cc1SC ZINC000571714336 1072701377 /nfs/dbraw/zinc/70/13/77/1072701377.db2.gz QTVATUJYDNRIEC-WMLDXEAASA-N 0 3 415.515 3.718 20 5 HHBDHN Cc1ccc(Sc2ccc(CNC[C@H]3CCCS(=O)(=O)C3)cc2[N+](=O)[O-])cc1 ZINC000588928790 1073347002 /nfs/dbraw/zinc/34/70/02/1073347002.db2.gz JESKLVMCSVJTAA-QGZVFWFLSA-N 0 3 420.556 3.969 20 5 HHBDHN CN1C[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3NCc3ccccc3Cl)[C@H]2C1 ZINC000590447037 1073839125 /nfs/dbraw/zinc/83/91/25/1073839125.db2.gz XYOJHXRSALDFDX-QRWLVFNGSA-N 0 3 414.893 3.636 20 5 HHBDHN COc1ccc(NC(=O)[C@H](C)N[C@@H](C[C@@H]2CCOC2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000572946532 1073880422 /nfs/dbraw/zinc/88/04/22/1073880422.db2.gz OFSNWEZCZSGHMU-FTRWYGJKSA-N 0 3 413.474 3.688 20 5 HHBDHN Cc1cc(N2CC[C@@H]3[C@H]2CCN3Cc2cccnc2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164733355 720451872 /nfs/dbraw/zinc/45/18/72/720451872.db2.gz PIASNGPSRIUBTK-NHCUHLMSSA-N 0 3 416.485 3.608 20 5 HHBDHN Cc1c(CO)cc([N+](=O)[O-])c(NC[C@H]2CCCN(C)[C@H]2c2cccs2)c1[N+](=O)[O-] ZINC000301402442 970910145 /nfs/dbraw/zinc/91/01/45/970910145.db2.gz CYBCJLWKMGDZDS-BFUOFWGJSA-N 0 3 420.491 3.860 20 5 HHBDHN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1CN1CCCCCC1 ZINC000302675433 971276448 /nfs/dbraw/zinc/27/64/48/971276448.db2.gz UDOBCFYVVTUOHK-UHFFFAOYSA-N 0 3 417.531 3.986 20 5 HHBDHN COc1ccc(NC(=O)CCN2CCC(Oc3ccc(F)cc3)CC2)c([N+](=O)[O-])c1 ZINC000303684465 971960693 /nfs/dbraw/zinc/96/06/93/971960693.db2.gz LCIZTCGJXYWMAW-UHFFFAOYSA-N 0 3 417.437 3.615 20 5 HHBDHN CC[C@@](C)(COc1ncccc1Cl)NCC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000537679932 1013239421 /nfs/dbraw/zinc/23/94/21/1013239421.db2.gz XCGNZRBEAKECNT-IBGZPJMESA-N 0 3 406.870 3.727 20 5 HHBDHN Cc1cccc(N2CCN(CCCCNC(=O)c3cccc(C)c3[N+](=O)[O-])CC2)c1 ZINC000026960514 964733188 /nfs/dbraw/zinc/73/31/88/964733188.db2.gz HJYIKTTXUBNYJD-UHFFFAOYSA-N 0 3 410.518 3.544 20 5 HHBDHN COc1ccc2oc([C@H](C)NC[C@H](O)COc3ccccc3[N+](=O)[O-])c(C)c2c1 ZINC000542582180 1013523247 /nfs/dbraw/zinc/52/32/47/1013523247.db2.gz FCXDHYQOHMVZOR-GJZGRUSLSA-N 0 3 400.431 3.749 20 5 HHBDHN CCOc1cccc2cc([C@@H](C)NC[C@H](O)COc3ccccc3[N+](=O)[O-])oc21 ZINC000542586792 1013527664 /nfs/dbraw/zinc/52/76/64/1013527664.db2.gz HNNKEPWASFVDBC-ZBFHGGJFSA-N 0 3 400.431 3.830 20 5 HHBDHN CCN(CC)[C@H](CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)c1ccsc1 ZINC000052877492 965011583 /nfs/dbraw/zinc/01/15/83/965011583.db2.gz BBLUWBDEHOJKES-LJQANCHMSA-N 0 3 413.503 3.655 20 5 HHBDHN C[C@H](NCC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[C@@H]1COc2ccccc21 ZINC000542620313 1013556139 /nfs/dbraw/zinc/55/61/39/1013556139.db2.gz ROXPGCRRTAJKOM-GUYCJALGSA-N 0 3 424.482 3.811 20 5 HHBDHN CCN(CC)[C@@H](CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)c1ccsc1 ZINC000031419970 966011099 /nfs/dbraw/zinc/01/10/99/966011099.db2.gz JTPFQHUAAPMSOT-IBGZPJMESA-N 0 3 413.503 3.655 20 5 HHBDHN Cc1ccc([C@@H](CNC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)N2CCCC2)cc1 ZINC000061502729 966482403 /nfs/dbraw/zinc/48/24/03/966482403.db2.gz OJJSRNQKXJLUJQ-JOCHJYFZSA-N 0 3 419.485 3.656 20 5 HHBDHN CCN(CC)[C@@H](CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)c1cccc(OC)c1 ZINC000041846007 966649139 /nfs/dbraw/zinc/64/91/39/966649139.db2.gz BOGKAOHZBLGQJH-NRFANRHFSA-N 0 3 410.474 3.898 20 5 HHBDHN CCN1CC[C@H](NCc2ccc(OC)c([N+](=O)[O-])c2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000542923510 1013759282 /nfs/dbraw/zinc/75/92/82/1013759282.db2.gz LENBLUWPUNSWSH-JXFKEZNVSA-N 0 3 409.408 3.946 20 5 HHBDHN CCN1CC[C@@H](NCc2ccc(OC)c([N+](=O)[O-])c2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000542923514 1013759304 /nfs/dbraw/zinc/75/93/04/1013759304.db2.gz LENBLUWPUNSWSH-OXQOHEQNSA-N 0 3 409.408 3.946 20 5 HHBDHN Cc1ccc([C@H](C)NC[C@@H](O)COc2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000538278735 1013817136 /nfs/dbraw/zinc/81/71/36/1013817136.db2.gz BLDXIJPBXGYZTQ-XJKSGUPXSA-N 0 3 409.280 3.756 20 5 HHBDHN CC1CCN([C@@H](CNC(=O)CNc2ccccc2[N+](=O)[O-])c2cccs2)CC1 ZINC000065857914 968684218 /nfs/dbraw/zinc/68/42/18/968684218.db2.gz VITCBDLEAKVCHU-SFHVURJKSA-N 0 3 402.520 3.658 20 5 HHBDHN CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC[C@@H](Cc2ccccc2)N(C)C)CC1 ZINC000069231001 968821105 /nfs/dbraw/zinc/82/11/05/968821105.db2.gz XZESXOUHTIKSMG-OAQYLSRUSA-N 0 3 424.545 3.734 20 5 HHBDHN COc1cc([N+](=O)[O-])c(C(=O)NC[C@H](c2ccc(C)cc2)N(C)C)cc1SC ZINC000097548857 969157570 /nfs/dbraw/zinc/15/75/70/969157570.db2.gz WWAHMCPFZMYVAA-QGZVFWFLSA-N 0 3 403.504 3.666 20 5 HHBDHN Cc1ccc([C@H](CNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)N2CCCC2)cc1 ZINC000109504101 969526216 /nfs/dbraw/zinc/52/62/16/969526216.db2.gz HCCSMPDPNWVGTI-QFIPXVFZSA-N 0 3 419.485 3.656 20 5 HHBDHN Cc1c(NC(=O)CCN(Cc2cccs2)[C@@H]2C=C[C@H](CO)C2)cccc1[N+](=O)[O-] ZINC000554277190 1013890029 /nfs/dbraw/zinc/89/00/29/1013890029.db2.gz WKOGDNHNDKTXGS-DLBZAZTESA-N 0 3 415.515 3.733 20 5 HHBDHN CCCN(CC(=O)Nc1ccccc1[N+](=O)[O-])C1CCN(C(=O)c2ccccc2)CC1 ZINC000110295959 969649090 /nfs/dbraw/zinc/64/90/90/969649090.db2.gz RBMXHNABXVCJOP-UHFFFAOYSA-N 0 3 424.501 3.550 20 5 HHBDHN CC(C)NC(=O)Nc1ccc(CNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000236668335 970153180 /nfs/dbraw/zinc/15/31/80/970153180.db2.gz UGQAMMWQZUYBHK-UHFFFAOYSA-N 0 3 422.489 3.815 20 5 HHBDHN CCO[C@H]1C[C@H](NCc2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])C12CCC2 ZINC000236987154 970201135 /nfs/dbraw/zinc/20/11/35/970201135.db2.gz IHXJUHMJLFGRHD-IRXDYDNUSA-N 0 3 418.412 3.982 20 5 HHBDHN CSC[C@](C)(O)CNCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000237371012 970271954 /nfs/dbraw/zinc/27/19/54/970271954.db2.gz HQPUWQQRNQFLKU-MRXNPFEDSA-N 0 3 415.309 3.821 20 5 HHBDHN C[C@@H]1CN([C@@H](CNCc2cccc([N+](=O)[O-])c2)c2c(F)cccc2Cl)CCO1 ZINC000237432993 970285154 /nfs/dbraw/zinc/28/51/54/970285154.db2.gz VFYLHJFZZVNSJG-KUHUBIRLSA-N 0 3 407.873 3.939 20 5 HHBDHN Cn1cc(CNCc2ccc(Cn3ccnc3)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237775512 970363562 /nfs/dbraw/zinc/36/35/62/970363562.db2.gz HMXGDKPIONPGRX-UHFFFAOYSA-N 0 3 402.458 3.530 20 5 HHBDHN O=[N+]([O-])c1ccccc1/C=C/CNCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000237950390 970403363 /nfs/dbraw/zinc/40/33/63/970403363.db2.gz QTEAMIJAQBRNNG-SOFGYWHQSA-N 0 3 415.515 3.572 20 5 HHBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(Cc1cccs1)C[C@@H]1CCCO1 ZINC000150212224 970434620 /nfs/dbraw/zinc/43/46/20/970434620.db2.gz HYQJRIQEGAUMFZ-KRWDZBQOSA-N 0 3 403.504 3.975 20 5 HHBDHN Cc1c(NC(=O)CCN(Cc2cccs2)C[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000150213187 970435039 /nfs/dbraw/zinc/43/50/39/970435039.db2.gz GFTKKBHIWHQYHI-MRXNPFEDSA-N 0 3 403.504 3.975 20 5 HHBDHN C[C@@H]1[C@H](NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC000554642294 1013998017 /nfs/dbraw/zinc/99/80/17/1013998017.db2.gz ZRFNLKLZBQGJCZ-CZUORRHYSA-N 0 3 405.401 3.589 20 5 HHBDHN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCN(c2ccnc3ccccc32)CC1 ZINC000554683516 1014011512 /nfs/dbraw/zinc/01/15/12/1014011512.db2.gz FWKNAWJYKCKRGU-UHFFFAOYSA-N 0 3 415.453 3.516 20 5 HHBDHN O=[N+]([O-])c1ccc(N2CCC[C@@H](CN3CCN(c4ccccn4)CC3)C2)c(Cl)c1 ZINC000301088542 970742798 /nfs/dbraw/zinc/74/27/98/970742798.db2.gz HGKKDRZXLKXYSL-KRWDZBQOSA-N 0 3 415.925 3.682 20 5 HHBDHN C[C@@]1(NC(=O)c2cc([N+](=O)[O-])ccc2Br)CCN(Cc2ccccc2)C1 ZINC000406053247 972888612 /nfs/dbraw/zinc/88/86/12/972888612.db2.gz ITHWCHZRIYZNIF-LJQANCHMSA-N 0 3 418.291 3.752 20 5 HHBDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000425963314 974068142 /nfs/dbraw/zinc/06/81/42/974068142.db2.gz LSYXRZLLHOXSSH-QGZVFWFLSA-N 0 3 404.470 3.907 20 5 HHBDHN CN1CC[C@@H](NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)[C@H]1c1ccccc1 ZINC000425980865 974090889 /nfs/dbraw/zinc/09/08/89/974090889.db2.gz PGMXQKZNHHJAJE-QZTJIDSGSA-N 0 3 422.407 3.858 20 5 HHBDHN C[C@@H]1CN(CCC2CCN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)CC2)C[C@@H](C)O1 ZINC000427290244 975028122 /nfs/dbraw/zinc/02/81/22/975028122.db2.gz YXMMIJAVHCERRF-HUUCEWRRSA-N 0 3 409.914 3.600 20 5 HHBDHN CCc1ccc([C@@H](CNC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)N(C)C)cc1 ZINC000427920060 975350106 /nfs/dbraw/zinc/35/01/06/975350106.db2.gz COXZDCOSQSYGRD-HXUWFJFHSA-N 0 3 422.485 3.503 20 5 HHBDHN O=[N+]([O-])c1ccc(CNC[C@H](CO)Cc2ccc(Br)cc2)c(Cl)c1 ZINC000428548172 975856008 /nfs/dbraw/zinc/85/60/08/975856008.db2.gz NULMFWWWQWKOFV-CYBMUJFWSA-N 0 3 413.699 3.952 20 5 HHBDHN C[C@@H](NC(=O)N1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000428809367 976087922 /nfs/dbraw/zinc/08/79/22/976087922.db2.gz VNQFOKPRXLSWLE-KZNAEPCWSA-N 0 3 418.538 3.577 20 5 HHBDHN Cc1noc(C[C@H](N[C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)c2ccccc2)n1 ZINC000429470945 976738252 /nfs/dbraw/zinc/73/82/52/976738252.db2.gz OARKHVUTNHSLQN-KUHUBIRLSA-N 0 3 409.446 3.577 20 5 HHBDHN Cc1noc(C[C@@H](N[C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)c2ccccc2)n1 ZINC000429470942 976738375 /nfs/dbraw/zinc/73/83/75/976738375.db2.gz OARKHVUTNHSLQN-IFXJQAMLSA-N 0 3 409.446 3.577 20 5 HHBDHN Cc1c(NC(=O)CCN(CCc2ccccn2)Cc2cccnc2)cccc1[N+](=O)[O-] ZINC000430319537 977474032 /nfs/dbraw/zinc/47/40/32/977474032.db2.gz KTUZSIMUKPTYAD-UHFFFAOYSA-N 0 3 419.485 3.767 20 5 HHBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(CCc1ccccn1)Cc1cccnc1 ZINC000430333146 977482322 /nfs/dbraw/zinc/48/23/22/977482322.db2.gz QDNLGNKNVDZFAL-UHFFFAOYSA-N 0 3 419.485 3.767 20 5 HHBDHN Cc1cnc(C2CCN(CCCn3c(=O)oc4ccc([N+](=O)[O-])cc43)CC2)s1 ZINC000433166095 979111303 /nfs/dbraw/zinc/11/13/03/979111303.db2.gz JLQQUHNQLYSZKV-UHFFFAOYSA-N 0 3 402.476 3.537 20 5 HHBDHN CC1(C)C[C@@H](NCc2ccc(N3CCCS3(=O)=O)cc2)c2cc([N+](=O)[O-])ccc21 ZINC000433236773 979168031 /nfs/dbraw/zinc/16/80/31/979168031.db2.gz RYEZHCWSLKRONT-HXUWFJFHSA-N 0 3 415.515 3.647 20 5 HHBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000434033155 979772259 /nfs/dbraw/zinc/77/22/59/979772259.db2.gz VIKJPMUBYHILHZ-BWPNAZKDSA-N 0 3 414.550 3.776 20 5 HHBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000434039860 979777664 /nfs/dbraw/zinc/77/76/64/979777664.db2.gz DHYFMOZZBLACPE-UHOSZYNNSA-N 0 3 423.517 3.862 20 5 HHBDHN Cc1cc(NC(=O)c2ccccc2[N+](=O)[O-])n([C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000435278315 980755177 /nfs/dbraw/zinc/75/51/77/980755177.db2.gz LZVILMKQJXLDTG-SFHVURJKSA-N 0 3 405.458 3.799 20 5 HHBDHN Cc1c(C(=O)Nc2ccnn2[C@H]2CCN(Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000435376898 980826301 /nfs/dbraw/zinc/82/63/01/980826301.db2.gz VZQZTGBCTSEWOZ-SFHVURJKSA-N 0 3 405.458 3.799 20 5 HHBDHN CC(C)N1CCC(N(C)C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)CC1 ZINC000435941628 981104843 /nfs/dbraw/zinc/10/48/43/981104843.db2.gz UQUBXFWAGASAMI-UHFFFAOYSA-N 0 3 413.468 3.904 20 5 HHBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCN(C2CCC(C(C)C)CC2)CC1 ZINC000438562320 982903224 /nfs/dbraw/zinc/90/32/24/982903224.db2.gz OYALJWSXULTDJE-UHFFFAOYSA-N 0 3 402.539 3.674 20 5 HHBDHN CO[C@]1(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CCOC1 ZINC000461424621 983087385 /nfs/dbraw/zinc/08/73/85/983087385.db2.gz HTMCUKCEAZPRCA-KRWDZBQOSA-N 0 3 411.252 3.512 20 5 HHBDHN C[C@H](NCc1ccccc1CN(C)Cc1ccco1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000439601008 983466638 /nfs/dbraw/zinc/46/66/38/983466638.db2.gz ZHBFFAIRLFUEDF-KRWDZBQOSA-N 0 3 422.485 3.937 20 5 HHBDHN CCOC(=O)[C@@H]1CN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)Cc2ccccc21 ZINC000441122923 984078657 /nfs/dbraw/zinc/07/86/57/984078657.db2.gz IBGCZXZXQKNCJQ-HXUWFJFHSA-N 0 3 421.453 3.955 20 5 HHBDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000462806200 985737477 /nfs/dbraw/zinc/73/74/77/985737477.db2.gz GDHNWEWWKBNVCZ-BBRMVZONSA-N 0 3 407.392 3.864 20 5 HHBDHN CCOC(=O)c1ccnc(NC[C@H]2CCCN(C)[C@H]2c2cccs2)c1[N+](=O)[O-] ZINC000462870242 985794778 /nfs/dbraw/zinc/79/47/78/985794778.db2.gz IUNMTIDYEGZPIH-CZUORRHYSA-N 0 3 404.492 3.723 20 5 HHBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000443954907 986163062 /nfs/dbraw/zinc/16/30/62/986163062.db2.gz DJJKLDACNRUZDX-HOTGVXAUSA-N 0 3 404.511 3.565 20 5 HHBDHN CC(C)CN1CCC[C@@H]1CNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444246649 986439971 /nfs/dbraw/zinc/43/99/71/986439971.db2.gz UHIZGZDVBYIZGS-OAHLLOKOSA-N 0 3 413.468 3.810 20 5 HHBDHN CC(=Cc1cccc([N+](=O)[O-])c1)CNc1ccc2nc(CCN3CCOCC3)[nH]c2c1 ZINC000468747994 986461501 /nfs/dbraw/zinc/46/15/01/986461501.db2.gz HBXQTQXUCXDLKX-GHRIWEEISA-N 0 3 421.501 3.861 20 5 HHBDHN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000469320945 987031109 /nfs/dbraw/zinc/03/11/09/987031109.db2.gz LEQAUDQEPUKBDR-MRXNPFEDSA-N 0 3 405.857 3.916 20 5 HHBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000463963381 988075763 /nfs/dbraw/zinc/07/57/63/988075763.db2.gz GZPSBNIOZHQQOG-QZTJIDSGSA-N 0 3 418.538 3.955 20 5 HHBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCN(CCCOCC(F)(F)F)CC1 ZINC000470180043 988096657 /nfs/dbraw/zinc/09/66/57/988096657.db2.gz HGLNHYLCTDZYII-VBKFSLOCSA-N 0 3 401.429 3.585 20 5 HHBDHN CC(C)N1CCC[C@@H](NC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)C1 ZINC000470677717 988702190 /nfs/dbraw/zinc/70/21/90/988702190.db2.gz KIVZPVGUHPWVAZ-SJLPKXTDSA-N 0 3 411.506 3.766 20 5 HHBDHN CN(C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000470678312 988703106 /nfs/dbraw/zinc/70/31/06/988703106.db2.gz NWNUHFGIJMKOMV-GOSISDBHSA-N 0 3 420.469 3.585 20 5 HHBDHN CCN(Cc1cc(OC)c(F)cc1[N+](=O)[O-])CC1CCN(c2ccccn2)CC1 ZINC000464692377 988900865 /nfs/dbraw/zinc/90/08/65/988900865.db2.gz RHNQRXMRRJAYDG-UHFFFAOYSA-N 0 3 402.470 3.876 20 5 HHBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000466498063 991784890 /nfs/dbraw/zinc/78/48/90/991784890.db2.gz ZTCHIOSJPITMAS-UHFFFAOYSA-N 0 3 412.490 3.534 20 5 HHBDHN C[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Br)CN1Cc1ccccc1 ZINC000467696047 992952564 /nfs/dbraw/zinc/95/25/64/992952564.db2.gz SVWQCPCKDPDADS-ZFWWWQNUSA-N 0 3 418.291 3.750 20 5 HHBDHN CC[C@H]1CN(C(C)=O)[C@@H](CC)CN1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000472330165 993338975 /nfs/dbraw/zinc/33/89/75/993338975.db2.gz UBWVZQCMJIATMM-ROUUACIJSA-N 0 3 400.479 3.514 20 5 HHBDHN CN(CCN(C)C1CC1)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000473081568 993996971 /nfs/dbraw/zinc/99/69/71/993996971.db2.gz RMQNNHNCKVEFRB-FQEVSTJZSA-N 0 3 416.909 3.954 20 5 HHBDHN CSc1cccc(C(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)c1[N+](=O)[O-] ZINC000473518181 994372607 /nfs/dbraw/zinc/37/26/07/994372607.db2.gz KLAVADVKYWBKDB-UHFFFAOYSA-N 0 3 417.453 3.852 20 5 HHBDHN CCN1CCC[C@@H](CN(C)c2nc3ccccc3cc2[N+](=O)[O-])[C@@H]1c1cnn(C)c1 ZINC000473520424 994375256 /nfs/dbraw/zinc/37/52/56/994375256.db2.gz PIBOJEIBPJZKST-LAUBAEHRSA-N 0 3 408.506 3.786 20 5 HHBDHN Cc1cc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)cc(N2CCN(C(C)C)CC2)c1 ZINC000481667766 994527982 /nfs/dbraw/zinc/52/79/82/994527982.db2.gz HMIKLYDAAJSYID-UHFFFAOYSA-N 0 3 400.454 3.825 20 5 HHBDHN CCN1CCN(c2cccc(NC(=O)N[C@H](C)c3ccc(C)c([N+](=O)[O-])c3)c2)CC1 ZINC000473835408 994768225 /nfs/dbraw/zinc/76/82/25/994768225.db2.gz CLJPLAAQUDMOEU-QGZVFWFLSA-N 0 3 411.506 3.928 20 5 HHBDHN COc1ccc(-c2ccc(CN3CCC([C@@H](C)NC(C)=O)CC3)o2)c([N+](=O)[O-])c1 ZINC000482522174 995531681 /nfs/dbraw/zinc/53/16/81/995531681.db2.gz HJUYEZQEVXOJMB-CQSZACIVSA-N 0 3 401.463 3.600 20 5 HHBDHN CN(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000482985045 995902158 /nfs/dbraw/zinc/90/21/58/995902158.db2.gz BPATXYDBNXYEBN-WOJBJXKFSA-N 0 3 418.856 3.666 20 5 HHBDHN CC(C)[C@@H](CCO)N[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000475129355 995941026 /nfs/dbraw/zinc/94/10/26/995941026.db2.gz JRZBCDFAPUEFLO-IEBWSBKVSA-N 0 3 405.882 3.925 20 5 HHBDHN Cc1nc(NC(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000475311721 996062314 /nfs/dbraw/zinc/06/23/14/996062314.db2.gz VVHOTDRZWISYHF-SFHVURJKSA-N 0 3 408.380 3.691 20 5 HHBDHN Cc1nc(CN(C)[C@H]2CCCN(Cc3ccc(C(C)C)c([N+](=O)[O-])c3)CC2)no1 ZINC000475628398 996260620 /nfs/dbraw/zinc/26/06/20/996260620.db2.gz VPSXHVOOBKRUPK-SFHVURJKSA-N 0 3 401.511 3.896 20 5 HHBDHN COC(=O)COc1ccc(CN2C[C@H](c3ccc(F)cc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000475717986 996320949 /nfs/dbraw/zinc/32/09/49/996320949.db2.gz XFBKBSCVHKPWSY-RHSMWYFYSA-N 0 3 402.422 3.664 20 5 HHBDHN CC[C@H](N[C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1)C(=O)N1CCOCC1 ZINC000484291845 996683214 /nfs/dbraw/zinc/68/32/14/996683214.db2.gz NPGYNKVZMWUAFC-HOCLYGCPSA-N 0 3 403.504 3.611 20 5 HHBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000484345255 996717343 /nfs/dbraw/zinc/71/73/43/996717343.db2.gz WJTBFPIGMLZUPB-OAHLLOKOSA-N 0 3 403.401 3.842 20 5 HHBDHN COc1ccc(NC(=O)CN[C@H]2CCCC[C@@H]2Oc2ccccc2C)c([N+](=O)[O-])c1 ZINC000484653808 996991184 /nfs/dbraw/zinc/99/11/84/996991184.db2.gz PFKRDXDUDNDGPF-RXVVDRJESA-N 0 3 413.474 3.830 20 5 HHBDHN COc1ccccc1-c1csc(C2CCN(CCn3ccc([N+](=O)[O-])n3)CC2)n1 ZINC000485128528 997513136 /nfs/dbraw/zinc/51/31/36/997513136.db2.gz NZWJHFWZNVJLIH-UHFFFAOYSA-N 0 3 413.503 3.803 20 5 HHBDHN C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CN1Cc1ccccc1 ZINC000485580524 998029605 /nfs/dbraw/zinc/02/96/05/998029605.db2.gz PHUZPBBPWWIAJR-UKRRQHHQSA-N 0 3 405.401 3.589 20 5 HHBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000477607404 998324311 /nfs/dbraw/zinc/32/43/11/998324311.db2.gz ARGJIEBDYLLAQF-GASCZTMLSA-N 0 3 409.914 3.518 20 5 HHBDHN CC(C)(C(=O)Nc1cccc(CN2CCC(CO)CC2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000477753394 998499826 /nfs/dbraw/zinc/49/98/26/998499826.db2.gz FOHXKMJOZDGXRK-UHFFFAOYSA-N 0 3 411.502 3.715 20 5 HHBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000486195194 998635630 /nfs/dbraw/zinc/63/56/30/998635630.db2.gz OUAICZYEMOXCOS-MOPGFXCFSA-N 0 3 409.486 3.873 20 5 HHBDHN CN1CCC(N(Cc2ccccc2)C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000486567662 998831230 /nfs/dbraw/zinc/83/12/30/998831230.db2.gz QFIQUQWZGOPSII-UHFFFAOYSA-N 0 3 403.429 3.539 20 5 HHBDHN O=C(Nc1ccc([N+](=O)[O-])cc1F)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000478880052 999190944 /nfs/dbraw/zinc/19/09/44/999190944.db2.gz CDPAABPCSDHTRV-UHFFFAOYSA-N 0 3 404.364 3.661 20 5 HHBDHN Cc1cccc(CN(CCN(C)C)C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000487587254 999220046 /nfs/dbraw/zinc/22/00/46/999220046.db2.gz DLSHEYOOVPXHOC-UHFFFAOYSA-N 0 3 424.545 3.710 20 5 HHBDHN CC(C)(C)[C@H](COc1ccccc1F)N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000489140524 999710349 /nfs/dbraw/zinc/71/03/49/999710349.db2.gz PXJWJZZTIYABAQ-QUCCMNQESA-N 0 3 415.465 3.923 20 5 HHBDHN O=[N+]([O-])c1cc(Br)cnc1NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000480557552 999826126 /nfs/dbraw/zinc/82/61/26/999826126.db2.gz SROKOPTWVMTATD-UHFFFAOYSA-N 0 3 423.233 3.970 20 5 HHBDHN CCOc1ccc([C@@H](C)NC[C@H](c2ccc(C)o2)N2CCOCC2)cc1[N+](=O)[O-] ZINC000504921902 1000449506 /nfs/dbraw/zinc/44/95/06/1000449506.db2.gz VYZKVQOTZRYGDR-VQIMIIECSA-N 0 3 403.479 3.619 20 5 HHBDHN C[C@H]1C[C@@H](NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)CN1Cc1ccccc1 ZINC000495007851 1000775906 /nfs/dbraw/zinc/77/59/06/1000775906.db2.gz PUAPSEFMBYKQDK-FXAWDEMLSA-N 0 3 408.502 3.932 20 5 HHBDHN CCCN(CCN(C)C)C(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000496371743 1001167394 /nfs/dbraw/zinc/16/73/94/1001167394.db2.gz GTJQPYLKOUCUQN-UHFFFAOYSA-N 0 3 414.293 3.501 20 5 HHBDHN CN1CCN(CCCNc2ccc([N+](=O)[O-])c3cnccc23)[C@H](c2ccccc2)C1 ZINC000506057322 1001196634 /nfs/dbraw/zinc/19/66/34/1001196634.db2.gz YEHXYHRQABJEQE-QHCPKHFHSA-N 0 3 405.502 3.934 20 5 HHBDHN CN(C)[C@@H](CNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])c1ccccc1 ZINC000497386802 1001327544 /nfs/dbraw/zinc/32/75/44/1001327544.db2.gz MYVDOZZVXMOJAD-KRWDZBQOSA-N 0 3 411.380 3.569 20 5 HHBDHN COc1ccccc1[C@@H](CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)N1CCCC1 ZINC000506817618 1001547171 /nfs/dbraw/zinc/54/71/71/1001547171.db2.gz VGSFRLCLWSMNQZ-HXUWFJFHSA-N 0 3 410.474 3.737 20 5 HHBDHN CCNc1ccc(C(=O)N(CCN(C)C)Cc2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000497880685 1001548259 /nfs/dbraw/zinc/54/82/59/1001548259.db2.gz FFMJICZUMABAPH-UHFFFAOYSA-N 0 3 406.433 3.509 20 5 HHBDHN CNC(=O)[C@@H]1CCC[C@@H]1NCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000498376496 1001807605 /nfs/dbraw/zinc/80/76/05/1001807605.db2.gz ZHVXYCRKEUTMRG-ZBFHGGJFSA-N 0 3 422.279 3.622 20 5 HHBDHN O=[N+]([O-])c1ccc2[nH]c(N3CCCN(Cc4cnc5ccccc5c4)CC3)nc2c1 ZINC000499624865 1002993037 /nfs/dbraw/zinc/99/30/37/1002993037.db2.gz JECDGRLBNVWUDS-UHFFFAOYSA-N 0 3 402.458 3.732 20 5 HHBDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000500147490 1003504641 /nfs/dbraw/zinc/50/46/41/1003504641.db2.gz ITTXNVSWZWZBHV-ACJLOTCBSA-N 0 3 407.392 3.864 20 5 HHBDHN COc1ccc([C@@H](CN2CCCC2)NC(=O)c2ccc(SC)c([N+](=O)[O-])c2)cc1 ZINC000500389004 1003684034 /nfs/dbraw/zinc/68/40/34/1003684034.db2.gz XKDKBAHZCBGLDK-GOSISDBHSA-N 0 3 415.515 3.892 20 5 HHBDHN CC(C)Oc1ccc([C@@H](CNC(=O)NCCc2cccc([N+](=O)[O-])c2)N(C)C)cc1 ZINC000500570192 1003789620 /nfs/dbraw/zinc/78/96/20/1003789620.db2.gz OGMILFMKENFSBD-OAQYLSRUSA-N 0 3 414.506 3.527 20 5 HHBDHN CN(C)C[C@@H](NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000501233659 1004301231 /nfs/dbraw/zinc/30/12/31/1004301231.db2.gz LPZDSONTXPXAPK-QGZVFWFLSA-N 0 3 408.861 3.532 20 5 HHBDHN COc1ccc(-c2ccc(CN3CCC(N4CCO[C@H](C)C4)CC3)o2)c([N+](=O)[O-])c1 ZINC000510561183 1004704742 /nfs/dbraw/zinc/70/47/42/1004704742.db2.gz UYEYLYNOGRUKHB-MRXNPFEDSA-N 0 3 415.490 3.549 20 5 HHBDHN CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccc(Br)c(F)c1 ZINC000501877584 1004792161 /nfs/dbraw/zinc/79/21/61/1004792161.db2.gz YPUJEQHHUMIPKP-UHFFFAOYSA-N 0 3 410.243 3.957 20 5 HHBDHN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](NCC1CCOCC1)c1ccccc1 ZINC000501969422 1004837524 /nfs/dbraw/zinc/83/75/24/1004837524.db2.gz OBGDWPAWUIGSRW-LJQANCHMSA-N 0 3 403.866 3.944 20 5 HHBDHN COc1ccccc1O[C@@H]1CCCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000513364985 1004927131 /nfs/dbraw/zinc/92/71/31/1004927131.db2.gz CZJVOYHUCTZORZ-GOSISDBHSA-N 0 3 413.474 3.784 20 5 HHBDHN CC1(C)C[C@H](N[C@H]2CCN(C(=O)COc3ccccc3)C2)c2cc([N+](=O)[O-])ccc21 ZINC000511055106 1004999842 /nfs/dbraw/zinc/99/98/42/1004999842.db2.gz VHPUAYOIMHQQFC-KKSFZXQISA-N 0 3 409.486 3.587 20 5 HHBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC([C@H](F)c3ccccc3F)CC2)c1 ZINC000511087818 1005012702 /nfs/dbraw/zinc/01/27/02/1005012702.db2.gz BWAVLYNBHCKBEV-UWJYYQICSA-N 0 3 406.429 3.896 20 5 HHBDHN CCCN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@@H](C)C(=O)Nc1ccccc1 ZINC000502908970 1005270120 /nfs/dbraw/zinc/27/01/20/1005270120.db2.gz DAVCVQVVSSYJEF-KRWDZBQOSA-N 0 3 412.490 3.971 20 5 HHBDHN CN(C)CCN(Cc1ccccc1F)C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000514188720 1005304325 /nfs/dbraw/zinc/30/43/25/1005304325.db2.gz HAUORRUVNPHHOU-UHFFFAOYSA-N 0 3 411.380 3.539 20 5 HHBDHN O=[N+]([O-])c1cccc(-c2noc(CN3C[C@H](c4ccccc4)[C@H]4COCC[C@@H]43)n2)c1 ZINC000511760712 1005311485 /nfs/dbraw/zinc/31/14/85/1005311485.db2.gz HEGWTLHPXXAIPY-AQNXPRMDSA-N 0 3 406.442 3.649 20 5 HHBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])NCC(=O)N[C@H]1CCOc2ccccc21 ZINC000503855548 1005500914 /nfs/dbraw/zinc/50/09/14/1005500914.db2.gz LAKXDVJFXQQUSS-WBVHZDCISA-N 0 3 415.515 3.695 20 5 HHBDHN Cc1ccc([C@@H](C)NCc2ccc(CS(=O)(=O)NC(C)C)cc2)cc1[N+](=O)[O-] ZINC000531694819 1006358667 /nfs/dbraw/zinc/35/86/67/1006358667.db2.gz MRQACGOOHZMQFG-MRXNPFEDSA-N 0 3 405.520 3.582 20 5 HHBDHN COc1ccc(-c2ccc(CN[C@@H]3CCN(c4ncccc4F)C3)o2)c([N+](=O)[O-])c1 ZINC000531783871 1006425057 /nfs/dbraw/zinc/42/50/57/1006425057.db2.gz BNACYNOSOAJFGB-CQSZACIVSA-N 0 3 412.421 3.766 20 5 HHBDHN CN1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cn2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000531882265 1006496783 /nfs/dbraw/zinc/49/67/83/1006496783.db2.gz ZCQXMQWZZPCXPQ-KBXCAEBGSA-N 0 3 422.407 3.822 20 5 HHBDHN CCN1CCCN([C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CC1 ZINC000532521133 1006958964 /nfs/dbraw/zinc/95/89/64/1006958964.db2.gz MXSJCTIMGAVEHV-FQEVSTJZSA-N 0 3 416.909 3.956 20 5 HHBDHN CCO[C@H]1C[C@H](O)C12CCN(Cc1ccc(-c3ccc(OC)cc3[N+](=O)[O-])o1)CC2 ZINC000538737274 1007020420 /nfs/dbraw/zinc/02/04/20/1007020420.db2.gz SPIXWJWXSQMFIA-SFTDATJTSA-N 0 3 416.474 3.615 20 5 HHBDHN O=C(Nc1ccccc1)c1ccc(CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000532703549 1007117901 /nfs/dbraw/zinc/11/79/01/1007117901.db2.gz ACQLSVAIUKKSCU-HXUWFJFHSA-N 0 3 417.469 3.929 20 5 HHBDHN O=C(Nc1cccc(N2CCN(CCc3ccccc3)CC2)c1)c1ccc([N+](=O)[O-])o1 ZINC000538937526 1007220873 /nfs/dbraw/zinc/22/08/73/1007220873.db2.gz WNCRANGHPQNHAU-UHFFFAOYSA-N 0 3 420.469 3.805 20 5 HHBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(CCN(C)C)Cc1ccccc1F ZINC000516767459 1007280927 /nfs/dbraw/zinc/28/09/27/1007280927.db2.gz QFMCEUJZXQJDAH-HNNXBMFYSA-N 0 3 405.495 3.805 20 5 HHBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCC(Oc2ccc(F)cc2)CC1 ZINC000532977798 1007347950 /nfs/dbraw/zinc/34/79/50/1007347950.db2.gz KRBHPMHYHRVYII-UHFFFAOYSA-N 0 3 415.421 3.575 20 5 HHBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000539050937 1007348509 /nfs/dbraw/zinc/34/85/09/1007348509.db2.gz UKNHQWGEICJBBM-CHWSQXEVSA-N 0 3 405.442 3.608 20 5 HHBDHN COc1ccc(C[C@@H](C)CN(C)[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000535628380 1007630699 /nfs/dbraw/zinc/63/06/99/1007630699.db2.gz PGFJSKHFHVBYMN-HZPDHXFCSA-N 0 3 415.490 3.750 20 5 HHBDHN COc1cc(CN(C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)c(SC)cc1OC ZINC000533431921 1007744021 /nfs/dbraw/zinc/74/40/21/1007744021.db2.gz TYXLMQYGNBNXPE-UHFFFAOYSA-N 0 3 419.503 3.795 20 5 HHBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@@H](C)c1ccccc1OC(F)F ZINC000540347657 1008391648 /nfs/dbraw/zinc/39/16/48/1008391648.db2.gz MFPRNHJQPVEANB-LBPRGKRZSA-N 0 3 409.389 3.884 20 5 HHBDHN Cc1cc(N2CC[C@@H](N3CCN(C(C)C)CC3)C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000518799578 1008424629 /nfs/dbraw/zinc/42/46/29/1008424629.db2.gz JYZXNQPYBPTDOV-OAHLLOKOSA-N 0 3 400.445 3.527 20 5 HHBDHN CCc1ccc([C@@H](CNC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])N(C)C)cc1 ZINC000519054632 1008512672 /nfs/dbraw/zinc/51/26/72/1008512672.db2.gz PQVKEFIIHURGIW-AUUYWEPGSA-N 0 3 419.909 3.997 20 5 HHBDHN CCN(C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000545475847 1008582177 /nfs/dbraw/zinc/58/21/77/1008582177.db2.gz QECZDAISSSZWTE-FQEVSTJZSA-N 0 3 419.485 3.517 20 5 HHBDHN CCN(C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000545476300 1008583613 /nfs/dbraw/zinc/58/36/13/1008583613.db2.gz WPHRRWCNUSEJCG-JOCHJYFZSA-N 0 3 419.485 3.517 20 5 HHBDHN CCN(C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000545476301 1008584010 /nfs/dbraw/zinc/58/40/10/1008584010.db2.gz WPHRRWCNUSEJCG-QFIPXVFZSA-N 0 3 419.485 3.517 20 5 HHBDHN CCN1CC[C@H](NCc2cc([N+](=O)[O-])ccc2OC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000549116255 1008683040 /nfs/dbraw/zinc/68/30/40/1008683040.db2.gz CRJRSEBZHMVLCB-FXAWDEMLSA-N 0 3 409.408 3.946 20 5 HHBDHN CCN1CC[C@@H](NCc2cc([N+](=O)[O-])ccc2OC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000549116259 1008683244 /nfs/dbraw/zinc/68/32/44/1008683244.db2.gz CRJRSEBZHMVLCB-XLIONFOSSA-N 0 3 409.408 3.946 20 5 HHBDHN CN1CCCN(c2ccc(-c3noc(-c4cc(Cl)cc([N+](=O)[O-])c4)n3)cn2)CC1 ZINC000545658992 1008754206 /nfs/dbraw/zinc/75/42/06/1008754206.db2.gz VTRFSYPEIYLENA-UHFFFAOYSA-N 0 3 414.853 3.502 20 5 HHBDHN COc1cc(CNCCc2ccc(OC)c(OC)c2Cl)c([N+](=O)[O-])cc1OC ZINC000549844027 1009458673 /nfs/dbraw/zinc/45/86/73/1009458673.db2.gz XQECKPMSQJWESG-UHFFFAOYSA-N 0 3 410.854 3.615 20 5 HHBDHN CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)CSc1ccccc1[N+](=O)[O-] ZINC000544048453 1009651230 /nfs/dbraw/zinc/65/12/30/1009651230.db2.gz WXUKUZZRQDSRRH-UHFFFAOYSA-N 0 3 409.458 3.556 20 5 HHBDHN COc1cc(CN2CCC3(CCOCC3)[C@H]2C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000521319495 1010301988 /nfs/dbraw/zinc/30/19/88/1010301988.db2.gz XIZCPIXNNPYEGZ-CYBMUJFWSA-N 0 3 418.412 3.936 20 5 HHBDHN CCN(C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000544851193 1010436403 /nfs/dbraw/zinc/43/64/03/1010436403.db2.gz QPLFHYXKIQUHBB-IBGZPJMESA-N 0 3 419.485 3.517 20 5 HHBDHN Cc1cc(CN(C)C)cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)c1 ZINC000536220620 1011369610 /nfs/dbraw/zinc/36/96/10/1011369610.db2.gz NVRNVWYBFCTRCW-UHFFFAOYSA-N 0 3 406.280 3.909 20 5 HHBDHN CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@H](C)NCc1ccccc1[N+](=O)[O-] ZINC000541212629 1011883929 /nfs/dbraw/zinc/88/39/29/1011883929.db2.gz UXRKKJBAXLUDST-LBPRGKRZSA-N 0 3 419.503 3.957 20 5 HHBDHN C[C@@H](NC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F)c1ccccc1[N+](=O)[O-] ZINC000552411888 1012426827 /nfs/dbraw/zinc/42/68/27/1012426827.db2.gz ZJCMIVNLTRLQOP-QAPCUYQASA-N 0 3 403.429 3.929 20 5 HHBDHN C[C@@H](C(=O)NC1CCN([C@H](C)c2ccncc2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000541719811 1012570709 /nfs/dbraw/zinc/57/07/09/1012570709.db2.gz JXMSHVNOKLXEQR-HUUCEWRRSA-N 0 3 400.454 3.574 20 5 HHBDHN CN(CCc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000552614680 1012618122 /nfs/dbraw/zinc/61/81/22/1012618122.db2.gz GFVQGAIHAZTMIQ-IBGZPJMESA-N 0 3 417.456 3.753 20 5 HHBDHN C[C@@H](C(=O)N1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000541798029 1012674946 /nfs/dbraw/zinc/67/49/46/1012674946.db2.gz XPQMDOUHCVEODZ-BRWVUGGUSA-N 0 3 421.513 3.575 20 5 HHBDHN Cc1cccc(N2CCN(CCCNc3ncnc4sc([N+](=O)[O-])cc43)CC2)c1 ZINC000552973223 1012956074 /nfs/dbraw/zinc/95/60/74/1012956074.db2.gz NAAWBEICDBMSSW-UHFFFAOYSA-N 0 3 412.519 3.532 20 5 HHBDHN O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CCC(CCCN3CCOCC3)CC2)c1 ZINC000555422770 1073447283 /nfs/dbraw/zinc/44/72/83/1073447283.db2.gz FVJOYKWEWNZMNY-UHFFFAOYSA-N 0 3 415.456 3.938 20 5 HHBDHN CSc1ccc(C(=O)N(C[C@@H](O)CC(C)(C)C)C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000590541817 1073885989 /nfs/dbraw/zinc/88/59/89/1073885989.db2.gz VCJQVGRMPFFEEV-KRWDZBQOSA-N 0 3 423.579 3.650 20 5 HHBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCN(c2ccnc3ccccc32)CC1 ZINC000590543242 1073887891 /nfs/dbraw/zinc/88/78/91/1073887891.db2.gz AASOSISCCCQFKD-UHFFFAOYSA-N 0 3 406.442 3.504 20 5 HHBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000301291296 970852301 /nfs/dbraw/zinc/85/23/01/970852301.db2.gz QILKISVJMOKCAQ-OAHLLOKOSA-N 0 3 422.407 3.660 20 5 HHBDHN O=C1OCCN1c1cc([N+](=O)[O-])ccc1NC[C@H](c1cccs1)N1CCCC1 ZINC000301530673 970969574 /nfs/dbraw/zinc/96/95/74/970969574.db2.gz PHVFBBAVBSSCEP-QGZVFWFLSA-N 0 3 402.476 3.862 20 5 HHBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000303789847 972029041 /nfs/dbraw/zinc/02/90/41/972029041.db2.gz JSWVROOIXYNSGV-VQIMIIECSA-N 0 3 417.531 3.577 20 5 HHBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000303827749 972363452 /nfs/dbraw/zinc/36/34/52/972363452.db2.gz QHFBLGPEPNPXFS-MJGOQNOKSA-N 0 3 417.531 3.577 20 5 HHBDHN C[C@@H]1CCCN(c2ccc(C(=O)NCc3ccccc3CN(C)C)cc2[N+](=O)[O-])C1 ZINC000009917264 961712140 /nfs/dbraw/zinc/71/21/40/961712140.db2.gz QHYSQTNHXZZVTJ-QGZVFWFLSA-N 0 3 410.518 3.823 20 5 HHBDHN COc1ccc(CN(C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1OC(F)F ZINC000026453633 964569974 /nfs/dbraw/zinc/56/99/74/964569974.db2.gz RHKIGSSQNGUDSH-UHFFFAOYSA-N 0 3 409.389 3.665 20 5 HHBDHN O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1ccc(CCN2CCSCC2)cc1 ZINC000061289378 966422193 /nfs/dbraw/zinc/42/21/93/966422193.db2.gz NIFRDDHULKCCGV-UHFFFAOYSA-N 0 3 417.556 3.917 20 5 HHBDHN CCN1CCN(Cc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2)CC1 ZINC000041665003 966609733 /nfs/dbraw/zinc/60/97/33/966609733.db2.gz DFDLIKPBMLXPPZ-UHFFFAOYSA-N 0 3 402.882 3.638 20 5 HHBDHN Cc1ccc([C@H](CNC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)N(C)C)cc1 ZINC000065413687 967456854 /nfs/dbraw/zinc/45/68/54/967456854.db2.gz PGISJKDTUNMWPV-INIZCTEOSA-N 0 3 408.405 3.929 20 5 HHBDHN C[C@@H]1C[C@H]1N1CCN(C(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000554129108 1013812387 /nfs/dbraw/zinc/81/23/87/1013812387.db2.gz YYWAKLWYBIAKTE-WAOWUJCRSA-N 0 3 414.550 3.633 20 5 HHBDHN CN(C)CCN(Cc1ccccc1F)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000065893552 968703487 /nfs/dbraw/zinc/70/34/87/968703487.db2.gz JQJROTIWRULYTI-UHFFFAOYSA-N 0 3 400.454 3.512 20 5 HHBDHN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCCN(Cc2ccccc2)CC1 ZINC000105542671 969245529 /nfs/dbraw/zinc/24/55/29/969245529.db2.gz WQQCQFABCXKYBC-KRWDZBQOSA-N 0 3 407.474 3.914 20 5 HHBDHN O=C(NCc1ccc([N+](=O)[O-])cc1)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000110118914 969625757 /nfs/dbraw/zinc/62/57/57/969625757.db2.gz GRIYUELUIFZQAZ-IBGZPJMESA-N 0 3 407.392 3.666 20 5 HHBDHN COc1ccc(CN[C@@H](C)CC(=O)Nc2cccc(N3CCCC3)c2)cc1[N+](=O)[O-] ZINC000237284494 970254955 /nfs/dbraw/zinc/25/49/55/970254955.db2.gz PWHHPSRKGDZAQT-INIZCTEOSA-N 0 3 412.490 3.711 20 5 HHBDHN C[C@@H]1CN(C(C)(C)CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@@H](C)O1 ZINC000237396527 970276977 /nfs/dbraw/zinc/27/69/77/970276977.db2.gz ZODHCGNTAQJZIC-HUUCEWRRSA-N 0 3 404.536 3.696 20 5 HHBDHN CC(C)Cc1ccc([C@H](CNC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])N(C)C)cc1 ZINC000554664762 1014005361 /nfs/dbraw/zinc/00/53/61/1014005361.db2.gz VABPWHRJVLPHIY-KRWDZBQOSA-N 0 3 401.511 3.673 20 5 HHBDHN Cc1cc(C2CCN(CCn3cc([N+](=O)[O-])ccc3=O)CC2)ccc1Br ZINC000425911106 974024242 /nfs/dbraw/zinc/02/42/42/974024242.db2.gz AKJKTPLKXFXQMQ-UHFFFAOYSA-N 0 3 420.307 3.707 20 5 HHBDHN C[C@@H]1CN(CCC2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CC2)C[C@@H](C)O1 ZINC000426642299 974578548 /nfs/dbraw/zinc/57/85/48/974578548.db2.gz HIVKTTZRJZZVCT-HUUCEWRRSA-N 0 3 424.929 3.991 20 5 HHBDHN C[C@H]1CN(CCC2CCN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3)CC2)C[C@H](C)O1 ZINC000427327200 975054350 /nfs/dbraw/zinc/05/43/50/975054350.db2.gz CHBQNXNPUMJMND-GJZGRUSLSA-N 0 3 409.914 3.600 20 5 HHBDHN O=C(Nc1cccc(CN2CC[C@H](O)C2)c1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000428531160 975825617 /nfs/dbraw/zinc/82/56/17/975825617.db2.gz ADFWDLJOWLDSJW-SFHVURJKSA-N 0 3 413.477 3.500 20 5 HHBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@@H](CO)Cc1ccccc1Br ZINC000428533121 975828347 /nfs/dbraw/zinc/82/83/47/975828347.db2.gz CJZWEGWTAYFYHA-AWEZNQCLSA-N 0 3 423.307 3.697 20 5 HHBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000429348971 976612355 /nfs/dbraw/zinc/61/23/55/976612355.db2.gz LTILPGDXBWAEJX-HXUWFJFHSA-N 0 3 411.502 3.541 20 5 HHBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000429752566 977044968 /nfs/dbraw/zinc/04/49/68/977044968.db2.gz UGRDCDNPDJLFIC-LJQANCHMSA-N 0 3 412.490 3.624 20 5 HHBDHN CN(C)CCN(Cc1ccccc1)C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000429970397 977237652 /nfs/dbraw/zinc/23/76/52/977237652.db2.gz XUGUMWBYSXJJIS-UHFFFAOYSA-N 0 3 406.280 3.561 20 5 HHBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)SCCN(C)Cc1ccccc1 ZINC000433036285 979048925 /nfs/dbraw/zinc/04/89/25/979048925.db2.gz SVOWTVAVHUQGGA-OAHLLOKOSA-N 0 3 403.504 3.796 20 5 HHBDHN CC(C)c1n[n-]c(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)c1[N+](=O)[O-] ZINC000433744341 979539376 /nfs/dbraw/zinc/53/93/76/979539376.db2.gz JAPQAUZHIPXDIZ-INIZCTEOSA-N 0 3 419.913 3.879 20 5 HHBDHN CC(C)c1n[n-]c(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)c1[N+](=O)[O-] ZINC000433744341 979539379 /nfs/dbraw/zinc/53/93/79/979539379.db2.gz JAPQAUZHIPXDIZ-INIZCTEOSA-N 0 3 419.913 3.879 20 5 HHBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000434039859 979777566 /nfs/dbraw/zinc/77/75/66/979777566.db2.gz DHYFMOZZBLACPE-QRQLOZEOSA-N 0 3 423.517 3.862 20 5 HHBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000434062022 979801087 /nfs/dbraw/zinc/80/10/87/979801087.db2.gz IAIWVWKNTSELSB-UHOSZYNNSA-N 0 3 400.523 3.530 20 5 HHBDHN CC(C)c1n[nH]c(C(=O)N[C@@H](CN2CCc3ccccc3C2)C(C)(C)C)c1[N+](=O)[O-] ZINC000434224687 979995586 /nfs/dbraw/zinc/99/55/86/979995586.db2.gz CNZMGKAFSTZSCY-KRWDZBQOSA-N 0 3 413.522 3.644 20 5 HHBDHN CC(C)c1n[n-]c(C(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)c1[N+](=O)[O-] ZINC000434245710 980013935 /nfs/dbraw/zinc/01/39/35/980013935.db2.gz YOAFVYKQTOYMEN-UHFFFAOYSA-N 0 3 411.462 3.596 20 5 HHBDHN CC(C)c1n[n-]c(C(=O)NCc2ccccc2C[N@@H+](C)Cc2ccco2)c1[N+](=O)[O-] ZINC000434245710 980013943 /nfs/dbraw/zinc/01/39/43/980013943.db2.gz YOAFVYKQTOYMEN-UHFFFAOYSA-N 0 3 411.462 3.596 20 5 HHBDHN Cc1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)n([C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000435293920 980763410 /nfs/dbraw/zinc/76/34/10/980763410.db2.gz DUEJYSQEKAUZAX-NRFANRHFSA-N 0 3 419.485 3.728 20 5 HHBDHN CN(C)C[C@H]1CCc2ccccc2N1C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000436727173 981534232 /nfs/dbraw/zinc/53/42/32/981534232.db2.gz YAAOVJDPIIQXOV-HXUWFJFHSA-N 0 3 422.529 3.721 20 5 HHBDHN O=C(c1ccccc1[O-])N1CCC([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000436824678 981578011 /nfs/dbraw/zinc/57/80/11/981578011.db2.gz AHMAYMOJDHMUQH-HXUWFJFHSA-N 0 3 409.486 3.516 20 5 HHBDHN CC1(C)C[C@@H]([NH2+]C2CCN(C(=O)c3ccccc3[O-])CC2)c2cc([N+](=O)[O-])ccc21 ZINC000436985101 981667547 /nfs/dbraw/zinc/66/75/47/981667547.db2.gz CBFWTSWFAAZSTL-HXUWFJFHSA-N 0 3 409.486 3.917 20 5 HHBDHN CN(C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000437094308 981758155 /nfs/dbraw/zinc/75/81/55/981758155.db2.gz VIBPQLRXGNTFPM-KRWDZBQOSA-N 0 3 407.392 3.960 20 5 HHBDHN CN(C)CCN(Cc1cccs1)C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000438544746 982882726 /nfs/dbraw/zinc/88/27/26/982882726.db2.gz HHKXZBATBBDFJS-UHFFFAOYSA-N 0 3 411.911 3.669 20 5 HHBDHN CCN(C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000438657183 982975586 /nfs/dbraw/zinc/97/55/86/982975586.db2.gz UBDRPSAQHLGQQG-YLJYHZDGSA-N 0 3 424.501 3.526 20 5 HHBDHN C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCCN2Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000439013904 983210094 /nfs/dbraw/zinc/21/00/94/983210094.db2.gz YTSIZZXJGSAGKA-FCLVOEFKSA-N 0 3 400.479 3.796 20 5 HHBDHN CC(C)c1ccc(C(=O)Nc2ccc(C(=O)NCCN3CCCC3)cc2)cc1[N+](=O)[O-] ZINC000439103426 983250698 /nfs/dbraw/zinc/25/06/98/983250698.db2.gz UNZWXIWZGMJSQU-UHFFFAOYSA-N 0 3 424.501 3.796 20 5 HHBDHN C[C@@H](O)CN(Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000441233322 984129317 /nfs/dbraw/zinc/12/93/17/984129317.db2.gz ZMVLVECEPNQBQL-UONOGXRCSA-N 0 3 402.882 3.939 20 5 HHBDHN COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)cc1SC ZINC000462156971 985130382 /nfs/dbraw/zinc/13/03/82/985130382.db2.gz FHCOTBPCXFYRQO-PBHICJAKSA-N 0 3 415.515 3.576 20 5 HHBDHN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CCCC[C@H](N2CCCC2)C1 ZINC000462288331 985275488 /nfs/dbraw/zinc/27/54/88/985275488.db2.gz JYISKFIAKLZMCY-ZDUSSCGKSA-N 0 3 422.334 3.541 20 5 HHBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N(C)C1CCN(CCc2ccccn2)CC1 ZINC000443946313 986154578 /nfs/dbraw/zinc/15/45/78/986154578.db2.gz LSOXFLUQMREECG-UHFFFAOYSA-N 0 3 411.506 3.777 20 5 HHBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCc1cccc(C(=O)NC[C@@H]2CCCO2)c1 ZINC000468642491 986357599 /nfs/dbraw/zinc/35/75/99/986357599.db2.gz RVYMRBSHXMFXKY-BVZCLVNKSA-N 0 3 409.486 3.697 20 5 HHBDHN CC(C)NC(=O)c1ccc(N(C)[C@@H]2CCCN(Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000470872652 988940831 /nfs/dbraw/zinc/94/08/31/988940831.db2.gz KMTYZWVDLLTLFK-HXUWFJFHSA-N 0 3 410.518 3.834 20 5 HHBDHN CCCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000464727795 988947801 /nfs/dbraw/zinc/94/78/01/988947801.db2.gz DWNPCWBMCWTDSP-MRXNPFEDSA-N 0 3 401.429 3.916 20 5 HHBDHN CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000471490936 989687961 /nfs/dbraw/zinc/68/79/61/989687961.db2.gz GLTMTLAONCFKCL-KSSFIOAISA-N 0 3 403.870 3.800 20 5 HHBDHN COc1cc(C(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000471557914 989758467 /nfs/dbraw/zinc/75/84/67/989758467.db2.gz YLTPINLQCJHJTO-KZULUSFZSA-N 0 3 423.416 3.626 20 5 HHBDHN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N[C@H](CN1CCCC1)c1ccccc1 ZINC000466564897 991879764 /nfs/dbraw/zinc/87/97/64/991879764.db2.gz SNSBVYGNRUJPLD-LJQANCHMSA-N 0 3 402.882 3.885 20 5 HHBDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000466585198 991902275 /nfs/dbraw/zinc/90/22/75/991902275.db2.gz FXFSZYRKKYXZHV-WMLDXEAASA-N 0 3 402.882 3.883 20 5 HHBDHN COCc1ccc([C@@H]2CCCN2CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)o1 ZINC000467028922 992337169 /nfs/dbraw/zinc/33/71/69/992337169.db2.gz NZOZBCLXKCWYFY-KRWDZBQOSA-N 0 3 403.435 3.509 20 5 HHBDHN C[C@@H]1C[C@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)CN1Cc1ccccc1 ZINC000467232420 992554275 /nfs/dbraw/zinc/55/42/75/992554275.db2.gz XKABPWCHUOUKBO-PBHICJAKSA-N 0 3 402.882 3.710 20 5 HHBDHN C[C@@H]1C[C@@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)CN1Cc1ccccc1 ZINC000467232421 992554467 /nfs/dbraw/zinc/55/44/67/992554467.db2.gz XKABPWCHUOUKBO-RHSMWYFYSA-N 0 3 402.882 3.710 20 5 HHBDHN C[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Br)CN1Cc1ccccc1 ZINC000467696044 992952486 /nfs/dbraw/zinc/95/24/86/992952486.db2.gz SVWQCPCKDPDADS-DZGCQCFKSA-N 0 3 418.291 3.750 20 5 HHBDHN O=[N+]([O-])c1ccc2[nH]c(N3CCCN(Cc4cccc(OC(F)F)c4)CC3)nc2c1 ZINC000481186069 994017298 /nfs/dbraw/zinc/01/72/98/994017298.db2.gz DFLCPBRCYVHJBB-UHFFFAOYSA-N 0 3 417.416 3.785 20 5 HHBDHN Cc1c(CNC(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000481461274 994295831 /nfs/dbraw/zinc/29/58/31/994295831.db2.gz BCEDTQNVZCKWGC-FQEVSTJZSA-N 0 3 421.419 3.974 20 5 HHBDHN COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)cc1SC ZINC000483470788 996200933 /nfs/dbraw/zinc/20/09/33/996200933.db2.gz PFRJYCBRBLSAIE-GDBMZVCRSA-N 0 3 415.515 3.891 20 5 HHBDHN COc1cc(C[NH2+]CCc2cccc(OCC(F)(F)F)c2)c([N+](=O)[O-])cc1[O-] ZINC000475622875 996255838 /nfs/dbraw/zinc/25/58/38/996255838.db2.gz ZFMLDHVYBPMGRA-UHFFFAOYSA-N 0 3 400.353 3.582 20 5 HHBDHN Cc1nc(CN(C)[C@@H]2CCCN(Cc3ccc(C(C)C)c([N+](=O)[O-])c3)CC2)no1 ZINC000475628396 996260521 /nfs/dbraw/zinc/26/05/21/996260521.db2.gz VPSXHVOOBKRUPK-GOSISDBHSA-N 0 3 401.511 3.896 20 5 HHBDHN Cc1cccc(O[C@H]2CCCC[C@@H]2NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000484651488 996987625 /nfs/dbraw/zinc/98/76/25/996987625.db2.gz MEFKZFHWMKSLDK-SFTDATJTSA-N 0 3 418.515 3.657 20 5 HHBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)[C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000477043929 997679127 /nfs/dbraw/zinc/67/91/27/997679127.db2.gz OBIDUZJQBHVPHL-OHZJNBGDSA-N 0 3 403.504 3.662 20 5 HHBDHN Cc1c(Br)c(N(C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)ncc1[N+](=O)[O-] ZINC000486028679 998475700 /nfs/dbraw/zinc/47/57/00/998475700.db2.gz MFPAUEIZYQVQKN-YOEHRIQHSA-N 0 3 420.311 3.585 20 5 HHBDHN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CCCN(CCCc2ccccc2)CC1 ZINC000486064419 998511817 /nfs/dbraw/zinc/51/18/17/998511817.db2.gz BJJWIHPXMLLGPG-UHFFFAOYSA-N 0 3 417.456 3.583 20 5 HHBDHN CCN1CCN(c2ccc(NC(=O)c3cc(OC)c(C)c([N+](=O)[O-])c3)c(C)c2)CC1 ZINC000478401912 998938894 /nfs/dbraw/zinc/93/88/94/998938894.db2.gz YHDUXTJVJGGQKM-UHFFFAOYSA-N 0 3 412.490 3.614 20 5 HHBDHN Cc1ccc([C@@H](C)NC(=O)CCCN2CCN(c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000487980991 999335410 /nfs/dbraw/zinc/33/54/10/999335410.db2.gz MKWWGYVWZKDVRN-LJQANCHMSA-N 0 3 410.518 3.683 20 5 HHBDHN CN1CC[C@@H](NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000488011132 999347589 /nfs/dbraw/zinc/34/75/89/999347589.db2.gz XSWVJGCQTFSUJC-IEBWSBKVSA-N 0 3 402.882 3.535 20 5 HHBDHN CCc1n[n-]c(C(=O)N2CC[N@H+](Cc3ccccc3)C3(CCCCC3)C2)c1[N+](=O)[O-] ZINC000479860345 999627931 /nfs/dbraw/zinc/62/79/31/999627931.db2.gz DGOXDKZFIBXFDH-UHFFFAOYSA-N 0 3 411.506 3.541 20 5 HHBDHN CCc1n[n-]c(C(=O)N2CC[N@@H+](Cc3ccccc3)C3(CCCCC3)C2)c1[N+](=O)[O-] ZINC000479860345 999627934 /nfs/dbraw/zinc/62/79/34/999627934.db2.gz DGOXDKZFIBXFDH-UHFFFAOYSA-N 0 3 411.506 3.541 20 5 HHBDHN COc1cccc(C2=CCN(CCC(=O)Nc3cc([N+](=O)[O-])ccc3OC)CC2)c1 ZINC000479890903 999638210 /nfs/dbraw/zinc/63/82/10/999638210.db2.gz VULUGTZKDLTAGS-UHFFFAOYSA-N 0 3 411.458 3.730 20 5 HHBDHN C[C@@]1(CNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CCCN1Cc1ccccc1 ZINC000490519786 999971368 /nfs/dbraw/zinc/97/13/68/999971368.db2.gz IBFZTWSOXMJLRL-QHCPKHFHSA-N 0 3 419.485 3.565 20 5 HHBDHN C[C@@]1(CNC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CCCN1Cc1ccccc1 ZINC000490529555 999973071 /nfs/dbraw/zinc/97/30/71/999973071.db2.gz YBPGZVPHCIQDFI-QHCPKHFHSA-N 0 3 419.485 3.565 20 5 HHBDHN O=C(CCN(Cc1ccc([N+](=O)[O-])cc1)C1CC1)Nc1ccc(N2CCCC2=O)cc1 ZINC000490805714 1000009000 /nfs/dbraw/zinc/00/90/00/1000009000.db2.gz YXSQOIGKLZQTCH-UHFFFAOYSA-N 0 3 422.485 3.715 20 5 HHBDHN COc1cc(CN[C@H]2CCN(Cc3ccccc3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000491059167 1000040682 /nfs/dbraw/zinc/04/06/82/1000040682.db2.gz JSTIEHKKADECAB-KRWDZBQOSA-N 0 3 421.444 3.611 20 5 HHBDHN CN1CCN(c2ccc(CN[C@H](c3ccccc3)c3cccc([N+](=O)[O-])c3)cn2)CC1 ZINC000491302586 1000063083 /nfs/dbraw/zinc/06/30/83/1000063083.db2.gz CREXMXGPYMKWCG-XMMPIXPASA-N 0 3 417.513 3.621 20 5 HHBDHN CC[C@H](NC(=O)N1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000493133450 1000159166 /nfs/dbraw/zinc/15/91/66/1000159166.db2.gz PMDUXGRAHRAEGD-FIKGOQFSSA-N 0 3 418.538 3.577 20 5 HHBDHN C[C@H]1[C@@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000494046869 1000282333 /nfs/dbraw/zinc/28/23/33/1000282333.db2.gz HFDVBWCWQJPRIM-GUYCJALGSA-N 0 3 418.291 3.750 20 5 HHBDHN CN1CCC[C@]2(CCN(C(=O)c3cc(F)cc4c(=O)c5cc(F)ccc5[nH]c34)C2)C1 ZINC000505632988 1000945145 /nfs/dbraw/zinc/94/51/45/1000945145.db2.gz NWCDEKDFOPHNLW-QHCPKHFHSA-N 0 3 411.452 3.517 20 5 HHBDHN COC(=O)[C@H]1CCCN(Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000506310986 1001345514 /nfs/dbraw/zinc/34/55/14/1001345514.db2.gz URNUHWBXAOEMDI-SFHVURJKSA-N 0 3 420.469 3.833 20 5 HHBDHN CC[C@@H](N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)c1ccc(OC)c(OC)c1 ZINC000506601948 1001468371 /nfs/dbraw/zinc/46/83/71/1001468371.db2.gz NLEFZXMMZKWELL-GDBMZVCRSA-N 0 3 401.463 3.988 20 5 HHBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N(CCN(C)C)Cc2ccc(F)c(F)c2)c1 ZINC000497901631 1001557596 /nfs/dbraw/zinc/55/75/96/1001557596.db2.gz WCPBMBUSSUCERR-UHFFFAOYSA-N 0 3 409.458 3.799 20 5 HHBDHN CCOc1cc([N+](=O)[O-])c(C(=O)N(CCN(C)C)Cc2cccc(C)c2)cc1OC ZINC000498116874 1001647734 /nfs/dbraw/zinc/64/77/34/1001647734.db2.gz GXNYSXOWKHHLQN-UHFFFAOYSA-N 0 3 415.490 3.515 20 5 HHBDHN O=C(Nc1cccc(CN2CCC(CO)CC2)c1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000498642958 1002044486 /nfs/dbraw/zinc/04/44/86/1002044486.db2.gz HJUOPIAHNLRSMA-UHFFFAOYSA-N 0 3 420.469 3.600 20 5 HHBDHN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000507613578 1002219585 /nfs/dbraw/zinc/21/95/85/1002219585.db2.gz SFYALWSKZYHUJX-MRXNPFEDSA-N 0 3 407.474 3.877 20 5 HHBDHN CCN(C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000500002650 1003324364 /nfs/dbraw/zinc/32/43/64/1003324364.db2.gz IDMDDOFNOBQZND-CRAIPNDOSA-N 0 3 407.474 3.769 20 5 HHBDHN CCN(C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000500002651 1003325060 /nfs/dbraw/zinc/32/50/60/1003325060.db2.gz IDMDDOFNOBQZND-MAUKXSAKSA-N 0 3 407.474 3.769 20 5 HHBDHN CN(C)CCN(Cc1ccccn1)C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000500737668 1003928966 /nfs/dbraw/zinc/92/89/66/1003928966.db2.gz BXOSOFNGIGMYON-UHFFFAOYSA-N 0 3 419.485 3.937 20 5 HHBDHN CC(C)(C)N(CCC(=O)Nc1ccccc1[N+](=O)[O-])CC(=O)Nc1ccc(F)cc1 ZINC000501037023 1004140046 /nfs/dbraw/zinc/14/00/46/1004140046.db2.gz PQCCCVTZUNZZBS-UHFFFAOYSA-N 0 3 416.453 3.802 20 5 HHBDHN COc1ccc(-c2ccc(CN3CCC(N4CCO[C@@H](C)C4)CC3)o2)c([N+](=O)[O-])c1 ZINC000510561182 1004704430 /nfs/dbraw/zinc/70/44/30/1004704430.db2.gz UYEYLYNOGRUKHB-INIZCTEOSA-N 0 3 415.490 3.549 20 5 HHBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc(C[NH+]3CCCCC3)cc2)c(Cl)c1 ZINC000511048032 1004996358 /nfs/dbraw/zinc/99/63/58/1004996358.db2.gz PPEISHKQOOZCIT-UHFFFAOYSA-N 0 3 423.922 3.713 20 5 HHBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC([C@@H](F)c3ccccc3F)CC2)c1 ZINC000511087816 1005012750 /nfs/dbraw/zinc/01/27/50/1005012750.db2.gz BWAVLYNBHCKBEV-LAUBAEHRSA-N 0 3 406.429 3.896 20 5 HHBDHN CCCCN1CCCC[C@@H]1CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000502447847 1005079372 /nfs/dbraw/zinc/07/93/72/1005079372.db2.gz GZWYFQAYBKVDRI-LJQANCHMSA-N 0 3 405.542 3.926 20 5 HHBDHN Cn1ccnc1[C@@H](NC[C@H](c1ccccc1)N1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000513761135 1005114011 /nfs/dbraw/zinc/11/40/11/1005114011.db2.gz MHMQLGHDDABCSE-YADHBBJMSA-N 0 3 405.502 3.844 20 5 HHBDHN CC(C)N1CCN(c2cccc(NC(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)c2)CC1 ZINC000502866438 1005249890 /nfs/dbraw/zinc/24/98/90/1005249890.db2.gz BQLQUZAFOJEFKR-UHFFFAOYSA-N 0 3 421.501 3.788 20 5 HHBDHN O=[N+]([O-])c1cccc(-c2noc(CN3C[C@H](c4ccccc4)[C@@H]4COCC[C@H]43)n2)c1 ZINC000511760713 1005311619 /nfs/dbraw/zinc/31/16/19/1005311619.db2.gz HEGWTLHPXXAIPY-HSALFYBXSA-N 0 3 406.442 3.649 20 5 HHBDHN O=C(NC1CC1)c1ccc(NC[C@H](c2cccs2)N2CCCC2)c([N+](=O)[O-])c1 ZINC000514898559 1006199275 /nfs/dbraw/zinc/19/92/75/1006199275.db2.gz YWPKVEHEMMCEFX-GOSISDBHSA-N 0 3 400.504 3.798 20 5 HHBDHN CSCC[C@H](CO)NCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000531954107 1006542823 /nfs/dbraw/zinc/54/28/23/1006542823.db2.gz HMNBMIOBZQTACB-LLVKDONJSA-N 0 3 415.309 3.821 20 5 HHBDHN C[C@@H](CC[S@@](C)=O)NCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000532120900 1006652716 /nfs/dbraw/zinc/65/27/16/1006652716.db2.gz WZLHNCNZDULBFH-APXPCNQMSA-N 0 3 415.309 3.864 20 5 HHBDHN C[C@H](CCNCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)[S@](C)=O ZINC000532468280 1006907239 /nfs/dbraw/zinc/90/72/39/1006907239.db2.gz LUCXBAVDCQHMJC-JNDILOIQSA-N 0 3 415.309 3.864 20 5 HHBDHN COc1ccc(NC(=O)CCN2CCC(c3ccccc3F)CC2)c([N+](=O)[O-])c1 ZINC000532583178 1007017932 /nfs/dbraw/zinc/01/79/32/1007017932.db2.gz LDRJHFXLXONPTG-UHFFFAOYSA-N 0 3 401.438 3.951 20 5 HHBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN(Cc1cccs1)C[C@@H]1CCCO1 ZINC000533234067 1007555689 /nfs/dbraw/zinc/55/56/89/1007555689.db2.gz XMQOAFLSTKIKNG-INIZCTEOSA-N 0 3 417.487 3.636 20 5 HHBDHN O=C(CN[C@H](C[C@H]1CCOC1)c1ccccc1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000539328519 1007627992 /nfs/dbraw/zinc/62/79/92/1007627992.db2.gz UIMAFOIFGCNONF-RDTXWAMCSA-N 0 3 403.866 3.944 20 5 HHBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000533426347 1007735521 /nfs/dbraw/zinc/73/55/21/1007735521.db2.gz ACWCIMHNHOIFJJ-KRWDZBQOSA-N 0 3 413.449 3.966 20 5 HHBDHN COc1cc(CN2CCC[C@@H]([C@H]3CCOC3)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000539898212 1008171202 /nfs/dbraw/zinc/17/12/02/1008171202.db2.gz NGLZCXZDJVNZQE-KGLIPLIRSA-N 0 3 418.412 3.793 20 5 HHBDHN C[C@@H](NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000540176445 1008323600 /nfs/dbraw/zinc/32/36/00/1008323600.db2.gz RAFFNQCOPKOJPX-LLVKDONJSA-N 0 3 418.302 3.531 20 5 HHBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CNC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000540341383 1008388847 /nfs/dbraw/zinc/38/88/47/1008388847.db2.gz IGDGETMOQVTBFF-UHFFFAOYSA-N 0 3 411.458 3.672 20 5 HHBDHN Cc1ccc([C@H](CNCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)N2CCOCC2)o1 ZINC000518770888 1008417052 /nfs/dbraw/zinc/41/70/52/1008417052.db2.gz FLYOKQKJKKTEAJ-FQEVSTJZSA-N 0 3 411.458 3.919 20 5 HHBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000540408458 1008420707 /nfs/dbraw/zinc/42/07/07/1008420707.db2.gz CENPLQQDVQDDSW-MRXNPFEDSA-N 0 3 410.474 3.709 20 5 HHBDHN CCN(C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000545475848 1008582555 /nfs/dbraw/zinc/58/25/55/1008582555.db2.gz QECZDAISSSZWTE-HXUWFJFHSA-N 0 3 419.485 3.517 20 5 HHBDHN CC(C)N1CC[C@H](NCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(F)c(F)c1 ZINC000549118645 1008686349 /nfs/dbraw/zinc/68/63/49/1008686349.db2.gz WJMDGKOXPVITRV-RXVVDRJESA-N 0 3 418.444 3.625 20 5 HHBDHN COc1cc(CNCCc2ccc(F)c(F)c2F)c([N+](=O)[O-])cc1OCC(F)F ZINC000543411244 1009005638 /nfs/dbraw/zinc/00/56/38/1009005638.db2.gz KBZHCXAVYYYHLH-UHFFFAOYSA-N 0 3 420.334 3.997 20 5 HHBDHN COc1ccc(CNC(=O)NC[C@@H](c2ccc(C)cc2)N2CCCC2)cc1[N+](=O)[O-] ZINC000519934121 1009088923 /nfs/dbraw/zinc/08/89/23/1009088923.db2.gz PVVDFKZOFZPWAC-FQEVSTJZSA-N 0 3 412.490 3.548 20 5 HHBDHN C[C@H](NC(=O)N(CCN(C)C)Cc1ccc(F)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000520130147 1009283174 /nfs/dbraw/zinc/28/31/74/1009283174.db2.gz BGFUSCLKGQLCHS-AWEZNQCLSA-N 0 3 406.433 3.707 20 5 HHBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(CC(C)C)C1CCN(C)CC1 ZINC000550683825 1010099030 /nfs/dbraw/zinc/09/90/30/1010099030.db2.gz ZIFYZMWRDVDCTI-UHFFFAOYSA-N 0 3 412.328 3.858 20 5 HHBDHN COc1cc(CNC[C@H](C)c2ncc(C)s2)c([N+](=O)[O-])cc1OCC(F)F ZINC000544617006 1010241837 /nfs/dbraw/zinc/24/18/37/1010241837.db2.gz JWICSZQRKYHKGK-JTQLQIEISA-N 0 3 401.435 3.906 20 5 HHBDHN CC(C)(C(=O)Nc1cccc(CN2CCC(O)CC2)c1)c1ccc([N+](=O)[O-])cc1F ZINC000545149440 1010648737 /nfs/dbraw/zinc/64/87/37/1010648737.db2.gz YPXWOLKKQCHNPI-UHFFFAOYSA-N 0 3 415.465 3.607 20 5 HHBDHN COc1ccc(-c2ccc(CN3CCOC4(CCOCC4)CC3)o2)c([N+](=O)[O-])c1 ZINC000545303494 1010722187 /nfs/dbraw/zinc/72/21/87/1010722187.db2.gz FAHYGODPKLXYHN-UHFFFAOYSA-N 0 3 402.447 3.635 20 5 HHBDHN CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000522720840 1011176399 /nfs/dbraw/zinc/17/63/99/1011176399.db2.gz MABUHBHBINETJF-UHFFFAOYSA-N 0 3 411.836 3.659 20 5 HHBDHN CN(C)CCN(CCCc1ccccc1)C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000522746384 1011192025 /nfs/dbraw/zinc/19/20/25/1011192025.db2.gz WBCXJGRIWSAYMZ-UHFFFAOYSA-N 0 3 403.910 3.814 20 5 HHBDHN O=[N+]([O-])c1cccc(-c2nc(CNC[C@@H](CO)Cc3ccc(F)cc3)cs2)c1 ZINC000540570636 1011229480 /nfs/dbraw/zinc/22/94/80/1011229480.db2.gz GTYOXMHCUREDOV-HNNXBMFYSA-N 0 3 401.463 3.798 20 5 HHBDHN O=C1C[C@@H](CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CN1Cc1ccccc1 ZINC000536163099 1011292168 /nfs/dbraw/zinc/29/21/68/1011292168.db2.gz MHHHRIOQMDHINY-KRWDZBQOSA-N 0 3 422.510 3.857 20 5 HHBDHN CN(Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000541695427 1012542866 /nfs/dbraw/zinc/54/28/66/1012542866.db2.gz WIOFCMPEUJVXNH-AZUAARDMSA-N 0 3 402.422 3.953 20 5 HHBDHN O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000523870641 1012568190 /nfs/dbraw/zinc/56/81/90/1012568190.db2.gz DHXFNIRNAWDTLR-QGZVFWFLSA-N 0 3 423.448 3.975 20 5 HHBDHN Cc1ccc([C@@H](C)NCCC(=O)Nc2ccc(N3CCCC3=O)cc2)cc1[N+](=O)[O-] ZINC000537175540 1012582405 /nfs/dbraw/zinc/58/24/05/1012582405.db2.gz ORJFYHLVKRXIKK-MRXNPFEDSA-N 0 3 410.474 3.709 20 5 HHBDHN CCc1ccc([C@H](CNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])N(C)C)cc1 ZINC000523885442 1012587328 /nfs/dbraw/zinc/58/73/28/1012587328.db2.gz URYCEPHZNOVXKG-IBGZPJMESA-N 0 3 419.909 3.999 20 5 HHBDHN Cc1c(NC(=O)[C@H](C)N[C@H]2CCN(C)[C@@H]2c2ccc(F)c(F)c2)cccc1[N+](=O)[O-] ZINC000571811678 1072862013 /nfs/dbraw/zinc/86/20/13/1072862013.db2.gz YUFYJKKXCDZGMZ-YHJVDBJQSA-N 0 3 418.444 3.543 20 5 HHBDHN O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCC[C@H]1CN1CCCCC1 ZINC000589952683 1073396633 /nfs/dbraw/zinc/39/66/33/1073396633.db2.gz MHMSEFHBQRKSIE-IBGZPJMESA-N 0 3 403.526 3.632 20 5 HHBDHN CN1C[C@H]2CCN(C(=O)c3ccc(Oc4ccc(Cl)cc4[N+](=O)[O-])cc3)[C@H]2C1 ZINC000590442066 1073836128 /nfs/dbraw/zinc/83/61/28/1073836128.db2.gz GCQVZAZNXFEEHS-KDOFPFPSSA-N 0 3 401.850 3.817 20 5 HHBDHN CC[C@@H]1CN(C)CCCN1C(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000590536847 1073914051 /nfs/dbraw/zinc/91/40/51/1073914051.db2.gz BFWBJQHMYPEWAI-ZIFCJYIRSA-N 0 3 402.539 3.633 20 5 HHBDHN CCOc1cc(NC(=O)N(CCN(C)C)Cc2ccc(F)c(F)c2)ccc1[N+](=O)[O-] ZINC001626000385 1074072112 /nfs/dbraw/zinc/07/21/12/1074072112.db2.gz WVKHJBJTJHPNTP-UHFFFAOYSA-N 0 3 422.432 3.867 20 5 HHBDHN CC(C)CN(CCN(C)C)C(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000303175977 971543639 /nfs/dbraw/zinc/54/36/39/971543639.db2.gz CDVPNLVFXVHKJQ-HDICACEKSA-N 0 3 404.555 3.737 20 5 HHBDHN CC(C)N1CCCN(C(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)CC1 ZINC000524328268 1013149412 /nfs/dbraw/zinc/14/94/12/1013149412.db2.gz BLZZUWADLJYDON-QGZVFWFLSA-N 0 3 411.506 3.719 20 5 HHBDHN CC[C@](C)(COc1ncccc1Cl)NCC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000537679933 1013239889 /nfs/dbraw/zinc/23/98/89/1013239889.db2.gz XCGNZRBEAKECNT-LJQANCHMSA-N 0 3 406.870 3.727 20 5 HHBDHN CC[C@@](C)(COc1ncccc1Cl)NCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000537681707 1013242057 /nfs/dbraw/zinc/24/20/57/1013242057.db2.gz UFRLUHZNJVHOOK-IBGZPJMESA-N 0 3 406.870 3.727 20 5 HHBDHN CN(C)[C@@H](CNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000542336626 1013295104 /nfs/dbraw/zinc/29/51/04/1013295104.db2.gz XZRPGSYMMKFIIK-MRXNPFEDSA-N 0 3 407.923 3.629 20 5 HHBDHN O=[N+]([O-])c1ccc(N2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)c2nonc21 ZINC000011380585 962072658 /nfs/dbraw/zinc/07/26/58/962072658.db2.gz YFKISHKWSCYBSV-UHFFFAOYSA-N 0 3 421.379 3.862 20 5 HHBDHN CCc1ccc([C@@H](CNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)N(C)C)cc1 ZINC000011604016 962142137 /nfs/dbraw/zinc/14/21/37/962142137.db2.gz LWHGWJDUADFJNS-HSZRJFAPSA-N 0 3 424.545 3.793 20 5 HHBDHN CCC[C@H]1CN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CCN1Cc1ccccc1 ZINC000553518954 1013417814 /nfs/dbraw/zinc/41/78/14/1013417814.db2.gz QDJPHHIBLSRBMJ-SFHVURJKSA-N 0 3 407.474 3.735 20 5 HHBDHN CCC[C@@H]1CN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CCN1Cc1ccccc1 ZINC000553518953 1013417848 /nfs/dbraw/zinc/41/78/48/1013417848.db2.gz QDJPHHIBLSRBMJ-GOSISDBHSA-N 0 3 407.474 3.735 20 5 HHBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC(C(=O)c2ccccc2)CC1 ZINC000025056752 964156921 /nfs/dbraw/zinc/15/69/21/964156921.db2.gz JEORJTZEOJGVDJ-UHFFFAOYSA-N 0 3 411.458 3.527 20 5 HHBDHN CC(C)(CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1)N1CCc2ccccc2C1 ZINC000025898182 964386491 /nfs/dbraw/zinc/38/64/91/964386491.db2.gz IXEYSOGRHDMVPG-UHFFFAOYSA-N 0 3 410.518 3.740 20 5 HHBDHN COc1cc(CN(C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)ccc1OC(F)F ZINC000026225310 964492410 /nfs/dbraw/zinc/49/24/10/964492410.db2.gz WEFSDBPGHAECNO-UHFFFAOYSA-N 0 3 423.416 3.974 20 5 HHBDHN COc1cc(CN(C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)ccc1OC(F)F ZINC000026225315 964492729 /nfs/dbraw/zinc/49/27/29/964492729.db2.gz OLCAUVOQWPLHJU-UHFFFAOYSA-N 0 3 423.416 3.974 20 5 HHBDHN Cc1ccccc1CN1CCCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000027388116 964871536 /nfs/dbraw/zinc/87/15/36/964871536.db2.gz KOPZJRFXVMDQMI-UHFFFAOYSA-N 0 3 410.518 3.830 20 5 HHBDHN COc1cc(C(=O)NC[C@H](c2ccc(OC(C)C)cc2)N(C)C)cc([N+](=O)[O-])c1C ZINC000553668776 1013534345 /nfs/dbraw/zinc/53/43/45/1013534345.db2.gz YCOBXTJSYKLJLF-HXUWFJFHSA-N 0 3 415.490 3.732 20 5 HHBDHN O=C(CCCNc1ccc([N+](=O)[O-])cc1)NC[C@H](c1cccs1)N1CCCC1 ZINC000028483650 965114435 /nfs/dbraw/zinc/11/44/35/965114435.db2.gz PLIFFDINOSZLIU-GOSISDBHSA-N 0 3 402.520 3.802 20 5 HHBDHN C[C@@H](NCC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[C@@H]1COc2ccccc21 ZINC000542620309 1013556065 /nfs/dbraw/zinc/55/60/65/1013556065.db2.gz ROXPGCRRTAJKOM-DYVFJYSZSA-N 0 3 424.482 3.811 20 5 HHBDHN O=C(N[C@@H](CN1CCCC1)c1ccccc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000029177329 965298660 /nfs/dbraw/zinc/29/86/60/965298660.db2.gz CEIOVUKRYPQJPI-FQEVSTJZSA-N 0 3 408.502 3.762 20 5 HHBDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000054226456 965435392 /nfs/dbraw/zinc/43/53/92/965435392.db2.gz OMUCEIXHPBMBON-XLIONFOSSA-N 0 3 408.502 3.760 20 5 HHBDHN COc1ccc([C@H](C)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc12 ZINC000542683217 1013604124 /nfs/dbraw/zinc/60/41/24/1013604124.db2.gz JKNTZBDGDUBILW-HNNXBMFYSA-N 0 3 414.483 3.881 20 5 HHBDHN O=C(N[C@H]1CCCN(Cc2ccccc2)C1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000031566250 966054174 /nfs/dbraw/zinc/05/41/74/966054174.db2.gz MQJZXYHHDTYMQH-NRFANRHFSA-N 0 3 422.529 3.592 20 5 HHBDHN Cc1cccc(N2CCN(CCCCNC(=O)c3cccc([N+](=O)[O-])c3C)CC2)c1 ZINC000032067396 966188082 /nfs/dbraw/zinc/18/80/82/966188082.db2.gz HHAHOEUGMJMCOS-UHFFFAOYSA-N 0 3 410.518 3.544 20 5 HHBDHN O=C(Nc1ccc(CCN2CCSCC2)cc1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000061572081 966505576 /nfs/dbraw/zinc/50/55/76/966505576.db2.gz ATXBVIFVCOVUFB-UHFFFAOYSA-N 0 3 410.499 3.920 20 5 HHBDHN O=C(NC[C@H]1CCCCN1Cc1ccccc1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000062228421 966627392 /nfs/dbraw/zinc/62/73/92/966627392.db2.gz LCPOBKBHBGUGLW-HXUWFJFHSA-N 0 3 419.485 3.565 20 5 HHBDHN COc1cccc([C@@H](CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)N2CCCC2)c1 ZINC000041816293 966642121 /nfs/dbraw/zinc/64/21/21/966642121.db2.gz VIQAVAKQMWWXRD-OAQYLSRUSA-N 0 3 408.458 3.652 20 5 HHBDHN CCOc1ccc(NC(=O)CN[C@H](C)c2ccc(-n3ccnc3C)cc2)c([N+](=O)[O-])c1 ZINC000542881049 1013729558 /nfs/dbraw/zinc/72/95/58/1013729558.db2.gz LARBUHSDEXKXOX-OAHLLOKOSA-N 0 3 423.473 3.777 20 5 HHBDHN Cc1c(NC(=O)NCCCCN2CCN(c3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000047345898 968146983 /nfs/dbraw/zinc/14/69/83/968146983.db2.gz VMFSLVCVFWMXPD-UHFFFAOYSA-N 0 3 411.506 3.627 20 5 HHBDHN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000538271626 1013811205 /nfs/dbraw/zinc/81/12/05/1013811205.db2.gz JEMNEXWSLGANJK-HOTGVXAUSA-N 0 3 409.552 3.715 20 5 HHBDHN CN(C)CCN(Cc1ccc(Br)cc1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000065936160 968723703 /nfs/dbraw/zinc/72/37/03/968723703.db2.gz RCPHADOPGYXEHD-UHFFFAOYSA-N 0 3 406.280 3.561 20 5 HHBDHN CCOc1ccc(C(=O)N(CCN(C)C)Cc2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000065937268 968725989 /nfs/dbraw/zinc/72/59/89/968725989.db2.gz VGWTXNSBRQWGMP-UHFFFAOYSA-N 0 3 405.882 3.851 20 5 HHBDHN CN(C)CCN(CC1CCCCC1)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000072034694 968946894 /nfs/dbraw/zinc/94/68/94/968946894.db2.gz ONZZSTJMSSXFTB-UHFFFAOYSA-N 0 3 402.539 3.779 20 5 HHBDHN C[C@@H]([NH2+]C(C)(C)C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000111048542 969766717 /nfs/dbraw/zinc/76/67/17/969766717.db2.gz ZUCSIOSKCOMRNV-CYBMUJFWSA-N 0 3 411.911 3.656 20 5 HHBDHN CCN(CC)C(=O)c1ccc(CNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000236830307 970177389 /nfs/dbraw/zinc/17/73/89/970177389.db2.gz BEAOVQZPZXBHJF-UHFFFAOYSA-N 0 3 421.501 3.767 20 5 HHBDHN CN(C)C(=O)c1cccc(CCNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000237075623 970218325 /nfs/dbraw/zinc/21/83/25/970218325.db2.gz PUGDSRGFWTYYPT-UHFFFAOYSA-N 0 3 410.499 3.752 20 5 HHBDHN COc1cc(CNCCc2sc(C)nc2C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000237206550 970241628 /nfs/dbraw/zinc/24/16/28/970241628.db2.gz DLBMESVTBJGDOB-UHFFFAOYSA-N 0 3 419.425 3.950 20 5 HHBDHN CSC[C@H](CCO)NCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000237369826 970271868 /nfs/dbraw/zinc/27/18/68/970271868.db2.gz KAPXPBYUOVJDIW-NSHDSACASA-N 0 3 415.309 3.821 20 5 HHBDHN C[C@H]1CN([C@@H](CNCc2ccc([N+](=O)[O-])cc2)c2c(F)cccc2Cl)CCO1 ZINC000237648522 970328710 /nfs/dbraw/zinc/32/87/10/970328710.db2.gz FAOKDERBVXZNLF-LIRRHRJNSA-N 0 3 407.873 3.939 20 5 HHBDHN C[C@H]1CN([C@@H](CNCc2cccc([N+](=O)[O-])c2)c2c(F)cccc2Cl)CCO1 ZINC000237649211 970329819 /nfs/dbraw/zinc/32/98/19/970329819.db2.gz VFYLHJFZZVNSJG-LIRRHRJNSA-N 0 3 407.873 3.939 20 5 HHBDHN O=C(CCNCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)NCc1cccnc1 ZINC000237880105 970388138 /nfs/dbraw/zinc/38/81/38/970388138.db2.gz XVMYWYIQBNIVPF-UHFFFAOYSA-N 0 3 424.432 3.717 20 5 HHBDHN O=[N+]([O-])c1ccc(-c2ccc(CNCCSCCCO)o2)c(Br)c1 ZINC000238181967 970457134 /nfs/dbraw/zinc/45/71/34/970457134.db2.gz MIYXPQXEPAJFJR-UHFFFAOYSA-N 0 3 415.309 3.823 20 5 HHBDHN COc1ccccc1CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])C[C@H]1CCCO1 ZINC000409856239 973325547 /nfs/dbraw/zinc/32/55/47/973325547.db2.gz OWCHQOQOZDALNH-GOSISDBHSA-N 0 3 413.474 3.613 20 5 HHBDHN CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000410046111 973527079 /nfs/dbraw/zinc/52/70/79/973527079.db2.gz BHHBOQAZJIYZDZ-NRFANRHFSA-N 0 3 411.502 3.563 20 5 HHBDHN C[C@@H]1CN(CCC2CCN(C(=O)c3ccc(Cl)cc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000427299041 975035283 /nfs/dbraw/zinc/03/52/83/975035283.db2.gz IQISAVMPBMODON-GASCZTMLSA-N 0 3 409.914 3.600 20 5 HHBDHN O=C(CCCN1CCN(c2ccccc2)CC1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000427569015 975190196 /nfs/dbraw/zinc/19/01/96/975190196.db2.gz LYQDRNJXLFJOLS-UHFFFAOYSA-N 0 3 422.529 3.688 20 5 HHBDHN C[C@H](NC(=O)N1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000428809366 976087403 /nfs/dbraw/zinc/08/74/03/976087403.db2.gz VNQFOKPRXLSWLE-KURKYZTESA-N 0 3 418.538 3.577 20 5 HHBDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000429870594 977144980 /nfs/dbraw/zinc/14/49/80/977144980.db2.gz JBVJLVLHYKTHST-CJNGLKHVSA-N 0 3 418.291 3.923 20 5 HHBDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000429870595 977145315 /nfs/dbraw/zinc/14/53/15/977145315.db2.gz JBVJLVLHYKTHST-CZUORRHYSA-N 0 3 418.291 3.923 20 5 HHBDHN C[C@@H]1COCC[C@H]1N[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000432229634 978723332 /nfs/dbraw/zinc/72/33/32/978723332.db2.gz SMMSGJLFACLKJG-XVSDVWIESA-N 0 3 403.866 3.943 20 5 HHBDHN COC[C@@H](NCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)[C@H]1CCCO1 ZINC000433199340 979136692 /nfs/dbraw/zinc/13/66/92/979136692.db2.gz LBAUYXBTAMFWRR-FGZHOGPDSA-N 0 3 422.485 3.731 20 5 HHBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(N2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000434033159 979772346 /nfs/dbraw/zinc/77/23/46/979772346.db2.gz VIKJPMUBYHILHZ-XEYPJELSSA-N 0 3 414.550 3.776 20 5 HHBDHN Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000434332229 980096262 /nfs/dbraw/zinc/09/62/62/980096262.db2.gz HXBIXFBJOQPZST-SFHVURJKSA-N 0 3 405.458 3.799 20 5 HHBDHN Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2)n([C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000435275420 980753550 /nfs/dbraw/zinc/75/35/50/980753550.db2.gz RORQMZBCOMWENU-FQEVSTJZSA-N 0 3 405.458 3.799 20 5 HHBDHN C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000436125812 981210421 /nfs/dbraw/zinc/21/04/21/981210421.db2.gz DDAJPPFCSABVRB-OAGGEKHMSA-N 0 3 409.505 3.917 20 5 HHBDHN COc1cc(CNC[C@@H]2Cc3ccccc3N(C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000438345633 982735732 /nfs/dbraw/zinc/73/57/32/982735732.db2.gz IYJXXQVXGOGYJP-AWEZNQCLSA-N 0 3 421.444 3.646 20 5 HHBDHN CCCN1CCN(c2ccc(NC(=O)c3ccccc3[N+](=O)[O-])c(OCC)c2)CC1 ZINC000439288806 983346614 /nfs/dbraw/zinc/34/66/14/983346614.db2.gz ZBVRBNDGHOQVLI-UHFFFAOYSA-N 0 3 412.490 3.778 20 5 HHBDHN C[C@H](NCc1ccccc1CN(C)Cc1ccco1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000439596283 983465223 /nfs/dbraw/zinc/46/52/23/983465223.db2.gz NVGYRVBETGHVIR-KRWDZBQOSA-N 0 3 422.485 3.937 20 5 HHBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000439868351 983562047 /nfs/dbraw/zinc/56/20/47/983562047.db2.gz WZYKASJGPUIILQ-UHFFFAOYSA-N 0 3 404.442 3.728 20 5 HHBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC000439883848 983568693 /nfs/dbraw/zinc/56/86/93/983568693.db2.gz QNEZBZNBDPKUQD-UHFFFAOYSA-N 0 3 422.432 3.867 20 5 HHBDHN CO[C@H]1CCCC[C@@H]1N[C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000441246896 984136549 /nfs/dbraw/zinc/13/65/49/984136549.db2.gz IQSFECOUAJYKPP-NUTKFTJISA-N 0 3 404.492 3.593 20 5 HHBDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000462806202 985737448 /nfs/dbraw/zinc/73/74/48/985737448.db2.gz GDHNWEWWKBNVCZ-CJNGLKHVSA-N 0 3 407.392 3.864 20 5 HHBDHN CN(C)CCN(Cc1cccc(F)c1)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000443883023 986084530 /nfs/dbraw/zinc/08/45/30/986084530.db2.gz LZADBKOVSPZQKF-UHFFFAOYSA-N 0 3 413.371 3.957 20 5 HHBDHN CC(C)OC(=O)C[C@H]1CCCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000468471379 986164624 /nfs/dbraw/zinc/16/46/24/986164624.db2.gz VEPQYVJZZWMHOS-MRXNPFEDSA-N 0 3 400.479 3.549 20 5 HHBDHN COc1cc(CN[C@@H]2C[C@H](OC(C)C)C2(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000468484109 986181336 /nfs/dbraw/zinc/18/13/36/986181336.db2.gz PRODNYZMMXYZPO-SJORKVTESA-N 0 3 402.438 3.929 20 5 HHBDHN O=C(N[C@H]1CCN(C2CCCC2)C1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000444003489 986201326 /nfs/dbraw/zinc/20/13/26/986201326.db2.gz NYLPWSSXXWIGKQ-HNNXBMFYSA-N 0 3 411.452 3.706 20 5 HHBDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000463276437 986243268 /nfs/dbraw/zinc/24/32/68/986243268.db2.gz PDWVQXPJZPIYLV-UWJYYQICSA-N 0 3 408.502 3.789 20 5 HHBDHN C[C@H]1C[C@H](CCNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CN1Cc1ccccc1 ZINC000468715082 986429831 /nfs/dbraw/zinc/42/98/31/986429831.db2.gz NAIIKFCOHSTRLS-WMZOPIPTSA-N 0 3 417.531 3.711 20 5 HHBDHN O=C1[C@H](NC/C=C\c2ccccc2[N+](=O)[O-])CCCN1Cc1ccc(F)cc1F ZINC000468996018 986701249 /nfs/dbraw/zinc/70/12/49/986701249.db2.gz MAKBLCVYJPWUFO-WSGSOLELSA-N 0 3 401.413 3.667 20 5 HHBDHN O=C(Nc1cccc(CN2CCC(CO)CC2)c1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000444547899 986738743 /nfs/dbraw/zinc/73/87/43/986738743.db2.gz OAZJKUSXLOYRPR-UHFFFAOYSA-N 0 3 403.866 3.705 20 5 HHBDHN C[C@@H](N[C@@H]1CC(C)(C)OC1(C)C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000444644827 986829781 /nfs/dbraw/zinc/82/97/81/986829781.db2.gz YHCXLPMYFHAAST-MLGOLLRUSA-N 0 3 418.519 3.981 20 5 HHBDHN Cc1cccc2nc(C3CCN(C[C@@H](O)COc4ccccc4[N+](=O)[O-])CC3)oc21 ZINC000444781621 986937949 /nfs/dbraw/zinc/93/79/49/986937949.db2.gz IZKRHAHTLXVPQN-QGZVFWFLSA-N 0 3 411.458 3.664 20 5 HHBDHN CNC(=O)c1ccc(NC[C@@H](c2cccc(C(F)(F)F)c2)N(C)C)c([N+](=O)[O-])c1 ZINC000469552527 987223450 /nfs/dbraw/zinc/22/34/50/987223450.db2.gz SWBQYVKQWBZARM-KRWDZBQOSA-N 0 3 410.396 3.688 20 5 HHBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N(C)C1CCN(CCc2ccccn2)CC1 ZINC000463948192 988059252 /nfs/dbraw/zinc/05/92/52/988059252.db2.gz IUPIIVLUKMUKKH-UHFFFAOYSA-N 0 3 411.506 3.777 20 5 HHBDHN O=C(c1cccc(CN2CCCC2)c1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464633684 988809102 /nfs/dbraw/zinc/80/91/02/988809102.db2.gz BECBZWCZEMOKAH-UHFFFAOYSA-N 0 3 409.486 3.874 20 5 HHBDHN CCCN(CC(F)(F)F)C(=O)[C@H]1CCCN(Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000464727794 988947482 /nfs/dbraw/zinc/94/74/82/988947482.db2.gz DWNPCWBMCWTDSP-INIZCTEOSA-N 0 3 401.429 3.916 20 5 HHBDHN C[C@@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)[C@@H](c1ccccc1)N(C)C ZINC000471572288 989774011 /nfs/dbraw/zinc/77/40/11/989774011.db2.gz GMPAXTARRVCMFX-VGSWGCGISA-N 0 3 410.518 3.619 20 5 HHBDHN C[C@@H]1C[C@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CN1Cc1ccccc1 ZINC000467697118 992953190 /nfs/dbraw/zinc/95/31/90/992953190.db2.gz QIZJOILIEGEXGI-XLIONFOSSA-N 0 3 408.502 3.588 20 5 HHBDHN CC[C@@H]1CN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H](CC)CN1C(C)=O ZINC000472330166 993338831 /nfs/dbraw/zinc/33/88/31/993338831.db2.gz UBWVZQCMJIATMM-ZWKOTPCHSA-N 0 3 400.479 3.514 20 5 HHBDHN CCN1CCN(c2cccc(NC(=O)N[C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)c2)CC1 ZINC000473835407 994768931 /nfs/dbraw/zinc/76/89/31/994768931.db2.gz CLJPLAAQUDMOEU-KRWDZBQOSA-N 0 3 411.506 3.928 20 5 HHBDHN CC(C)[C@@H](CN(C)Cc1ccccc1)NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000482165012 995122748 /nfs/dbraw/zinc/12/27/48/995122748.db2.gz QCMVWVUFBVAVHP-HXUWFJFHSA-N 0 3 409.490 3.891 20 5 HHBDHN COc1cc([N+](=O)[O-])c(C(=O)N(Cc2ccco2)C2CCN(C)CC2)cc1SC ZINC000482603307 995602466 /nfs/dbraw/zinc/60/24/66/995602466.db2.gz KZLCRDOXEARUIX-UHFFFAOYSA-N 0 3 419.503 3.655 20 5 HHBDHN O=[N+]([O-])c1cccc(OCCN[C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)c1 ZINC000483235103 996052189 /nfs/dbraw/zinc/05/21/89/996052189.db2.gz LEBHCDNZDAXNGC-INIZCTEOSA-N 0 3 404.772 3.969 20 5 HHBDHN CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)C[C@@H]1N1CCCC1 ZINC000483407220 996158165 /nfs/dbraw/zinc/15/81/65/996158165.db2.gz RQQZYPSYGWJAOC-FUHWJXTLSA-N 0 3 409.577 3.747 20 5 HHBDHN COC(=O)c1cc(NC(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)c(C)c([N+](=O)[O-])c1 ZINC000483597140 996276286 /nfs/dbraw/zinc/27/62/86/996276286.db2.gz ZABDPKFGSJMDES-IFXJQAMLSA-N 0 3 414.462 3.503 20 5 HHBDHN COc1cc(CN2CCC[C@]2(CO)Cc2ccccc2)c([N+](=O)[O-])cc1OC(F)F ZINC000475663690 996285730 /nfs/dbraw/zinc/28/57/30/996285730.db2.gz DLCWWFSPMUASMI-OAQYLSRUSA-N 0 3 422.428 3.774 20 5 HHBDHN CO[C@@H]1CCCC[C@H]1N[C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000483709187 996341540 /nfs/dbraw/zinc/34/15/40/996341540.db2.gz IQSFECOUAJYKPP-XGWLTEMNSA-N 0 3 404.492 3.593 20 5 HHBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000484355197 996724626 /nfs/dbraw/zinc/72/46/26/996724626.db2.gz WWEAUCHDPHFGEF-HNNXBMFYSA-N 0 3 403.401 3.842 20 5 HHBDHN CN1CCN(CCC(C)(C)Nc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC1 ZINC000485399972 997830748 /nfs/dbraw/zinc/83/07/48/997830748.db2.gz DJIFFNXGARBTJF-UHFFFAOYSA-N 0 3 401.486 3.624 20 5 HHBDHN C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CN1Cc1ccccc1 ZINC000485580521 998029128 /nfs/dbraw/zinc/02/91/28/998029128.db2.gz PHUZPBBPWWIAJR-HIFRSBDPSA-N 0 3 405.401 3.589 20 5 HHBDHN Cc1cc([N+](=O)[O-])ccc1CN(C)[C@@H](C)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000485701191 998164881 /nfs/dbraw/zinc/16/48/81/998164881.db2.gz LXLIMUZMCBMNIO-INIZCTEOSA-N 0 3 403.504 3.636 20 5 HHBDHN COC(=O)c1cnc(NC[C@@H](c2cccs2)N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000478293947 998870355 /nfs/dbraw/zinc/87/03/55/998870355.db2.gz YIFQHDJHDBWNSV-INIZCTEOSA-N 0 3 404.492 3.723 20 5 HHBDHN CSc1cccc(C(=O)Nc2cccc(CN3CCC(CO)CC3)c2)c1[N+](=O)[O-] ZINC000486928818 999010036 /nfs/dbraw/zinc/01/00/36/999010036.db2.gz OOHPTZGMLSULGK-UHFFFAOYSA-N 0 3 415.515 3.773 20 5 HHBDHN O=[N+]([O-])c1cccc(-c2cnc(CCN3CCC[C@@H](Oc4ncccc4F)C3)o2)c1 ZINC000489006195 999669967 /nfs/dbraw/zinc/66/99/67/999669967.db2.gz FBOXNMNHIWLKBD-QGZVFWFLSA-N 0 3 412.421 3.870 20 5 HHBDHN CC(C)(C)[C@@H](COc1ccccc1F)N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000489140527 999710383 /nfs/dbraw/zinc/71/03/83/999710383.db2.gz PXJWJZZTIYABAQ-UYAOXDASSA-N 0 3 415.465 3.923 20 5 HHBDHN O=[N+]([O-])c1cnc(NC2CC(N3CCC(C(F)(F)F)CC3)C2)c(Br)c1 ZINC000480557101 999826100 /nfs/dbraw/zinc/82/61/00/999826100.db2.gz PPQSASCGJQCHEB-UHFFFAOYSA-N 0 3 423.233 3.970 20 5 HHBDHN CC(C)Oc1ccc([C@@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)N(C)C)cc1 ZINC000489963111 999869847 /nfs/dbraw/zinc/86/98/47/999869847.db2.gz PSLSVJKQPFZISB-HXUWFJFHSA-N 0 3 419.909 3.997 20 5 HHBDHN CC[NH+](CC)Cc1ccccc1C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000490167695 999903340 /nfs/dbraw/zinc/90/33/40/999903340.db2.gz MEXMGLFCARSWKM-UHFFFAOYSA-N 0 3 411.911 3.569 20 5 HHBDHN C[C@@]1(CNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CCCN1Cc1ccccc1 ZINC000490529097 999972899 /nfs/dbraw/zinc/97/28/99/999972899.db2.gz VUBQKURHLDFUBA-QHCPKHFHSA-N 0 3 419.485 3.565 20 5 HHBDHN O=C(CCCN1CCN(c2ccccc2)CC1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000490548485 999975863 /nfs/dbraw/zinc/97/58/63/999975863.db2.gz WFXOXWGRCVEJRJ-UHFFFAOYSA-N 0 3 422.529 3.688 20 5 HHBDHN C[C@@H]1[C@@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC000494013673 1000267168 /nfs/dbraw/zinc/26/71/68/1000267168.db2.gz AEJAWTNBXUQOPX-XLIONFOSSA-N 0 3 408.502 3.588 20 5 HHBDHN CCOc1ccc([C@H](C)N[C@@H]2CCN(C(=O)CCc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000504912280 1000443741 /nfs/dbraw/zinc/44/37/41/1000443741.db2.gz TWQPJSBPZMWQEE-FXAWDEMLSA-N 0 3 411.502 3.878 20 5 HHBDHN C[C@@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])[C@H](c1ccccc1)N(C)C ZINC000505582560 1000919975 /nfs/dbraw/zinc/91/99/75/1000919975.db2.gz VMEYNRZFMVZGAE-SJKOYZFVSA-N 0 3 406.280 3.779 20 5 HHBDHN CCOc1ccc(C(=O)N(Cc2ccncc2)C[C@@H]2CCCN2CC)cc1[N+](=O)[O-] ZINC000496242347 1001144873 /nfs/dbraw/zinc/14/48/73/1001144873.db2.gz FHZHNAITKOCZHM-IBGZPJMESA-N 0 3 412.490 3.515 20 5 HHBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccccc2C[NH+]2CCCCCC2)c(F)c1 ZINC000497354318 1001305498 /nfs/dbraw/zinc/30/54/98/1001305498.db2.gz FJHUKJYJAMIKAN-UHFFFAOYSA-N 0 3 421.494 3.588 20 5 HHBDHN Cn1cc(CN2CCC[C@H](C(=O)Nc3ccccc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000506282490 1001326997 /nfs/dbraw/zinc/32/69/97/1001326997.db2.gz SBTDYAQNVJJFTK-SFHVURJKSA-N 0 3 419.485 3.846 20 5 HHBDHN CCN1CCN(Cc2ccc(NC(=O)c3ccc([N+](=O)[O-])c4cccnc34)cc2)CC1 ZINC000497925076 1001567408 /nfs/dbraw/zinc/56/74/08/1001567408.db2.gz NQTSSAYFVMFVNJ-UHFFFAOYSA-N 0 3 419.485 3.533 20 5 HHBDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000507612763 1002218621 /nfs/dbraw/zinc/21/86/21/1002218621.db2.gz ILCHREQUGDMVRY-GHTZIAJQSA-N 0 3 422.529 3.763 20 5 HHBDHN C[C@@]1(CN[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CCOC1 ZINC000500290181 1003602741 /nfs/dbraw/zinc/60/27/41/1003602741.db2.gz MUUCRBAFGXZKNF-QUCCMNQESA-N 0 3 403.866 3.944 20 5 HHBDHN Cc1c(C(=O)N(CCN(C)C)Cc2ccc(Br)cc2)cccc1[N+](=O)[O-] ZINC000500957956 1004078034 /nfs/dbraw/zinc/07/80/34/1004078034.db2.gz BYQCSOGYPYVKMN-UHFFFAOYSA-N 0 3 420.307 3.870 20 5 HHBDHN O=C(CCN(Cc1cccc(F)c1)C[C@H]1CCCO1)Nc1ccccc1[N+](=O)[O-] ZINC000501163243 1004246352 /nfs/dbraw/zinc/24/63/52/1004246352.db2.gz LWWCBMAZAVVLNG-GOSISDBHSA-N 0 3 401.438 3.744 20 5 HHBDHN COc1ccc(OCCN[C@@H]2CCOc3c(Br)cccc32)c([N+](=O)[O-])c1 ZINC000501520697 1004486135 /nfs/dbraw/zinc/48/61/35/1004486135.db2.gz LMDASQUWCHOLSK-OAHLLOKOSA-N 0 3 423.263 3.858 20 5 HHBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3CCC[C@@H]3CN3CCOCC3)o2)c(Cl)c1 ZINC000510620295 1004759106 /nfs/dbraw/zinc/75/91/06/1004759106.db2.gz RRUCKFXGOJFCNZ-MRXNPFEDSA-N 0 3 405.882 3.805 20 5 HHBDHN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000513302481 1004903377 /nfs/dbraw/zinc/90/33/77/1004903377.db2.gz VXXHZHCWZNCCTB-QAPCUYQASA-N 0 3 417.893 3.796 20 5 HHBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC([C@@H](F)c3ccccc3F)CC2)c1 ZINC000511087815 1005012622 /nfs/dbraw/zinc/01/26/22/1005012622.db2.gz BWAVLYNBHCKBEV-DYESRHJHSA-N 0 3 406.429 3.896 20 5 HHBDHN CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC000534221295 1006217173 /nfs/dbraw/zinc/21/71/73/1006217173.db2.gz VASKFPNHCQVDCF-UHFFFAOYSA-N 0 3 402.401 3.558 20 5 HHBDHN CCC(=O)N1CC[C@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000531630493 1006317002 /nfs/dbraw/zinc/31/70/02/1006317002.db2.gz PKQRCTYESSSPAD-LBPRGKRZSA-N 0 3 422.279 3.718 20 5 HHBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N(Cc2ccccc2)C2CCN(C)CC2)c1 ZINC000538427740 1006693629 /nfs/dbraw/zinc/69/36/29/1006693629.db2.gz OUBUIRHZTGNFDD-UHFFFAOYSA-N 0 3 411.502 3.795 20 5 HHBDHN COc1ccc([C@@H](CNC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)N2CCCC2)cc1 ZINC000515841539 1006712136 /nfs/dbraw/zinc/71/21/36/1006712136.db2.gz AMCJBRVKARMVTK-HRAATJIYSA-N 0 3 412.490 3.801 20 5 HHBDHN CCN1CCN(Cc2ccc(NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)cc2)CC1 ZINC000532278009 1006764986 /nfs/dbraw/zinc/76/49/86/1006764986.db2.gz LUDMRRJWXYUCQM-UHFFFAOYSA-N 0 3 410.518 3.649 20 5 HHBDHN O=[N+]([O-])c1ccc(-c2ccc(CNCc3ccc4c(c3)CCS4(=O)=O)s2)cc1 ZINC000532321595 1006792945 /nfs/dbraw/zinc/79/29/45/1006792945.db2.gz CSMBWGWLBPLCOP-UHFFFAOYSA-N 0 3 414.508 3.943 20 5 HHBDHN COC(=O)[C@H]1CC12CCN(Cc1ccc(-c3ccc(OC)cc3[N+](=O)[O-])o1)CC2 ZINC000538727579 1007005901 /nfs/dbraw/zinc/00/59/01/1007005901.db2.gz CQARESQERGLPIT-QGZVFWFLSA-N 0 3 400.431 3.639 20 5 HHBDHN C[C@@H](NCC(=O)Nc1ccc2nc(C(F)(F)F)[nH]c2c1)c1cccc([N+](=O)[O-])c1 ZINC000539279998 1007576322 /nfs/dbraw/zinc/57/63/22/1007576322.db2.gz NMUCQIDYCGMZAR-SNVBAGLBSA-N 0 3 407.352 3.779 20 5 HHBDHN Cc1c(NC(=O)CCN2CCC[C@H](C(=O)c3ccc(F)cc3)C2)cccc1[N+](=O)[O-] ZINC000533288969 1007601195 /nfs/dbraw/zinc/60/11/95/1007601195.db2.gz LRCNEMNYXPSWEY-KRWDZBQOSA-N 0 3 413.449 3.966 20 5 HHBDHN O=C(CN[C@H](C[C@@H]1CCOC1)c1ccccc1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000539328516 1007628080 /nfs/dbraw/zinc/62/80/80/1007628080.db2.gz UIMAFOIFGCNONF-KBXCAEBGSA-N 0 3 403.866 3.944 20 5 HHBDHN Cc1ccc([C@@H](C)NC[C@H](O)COc2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000539382671 1007687727 /nfs/dbraw/zinc/68/77/27/1007687727.db2.gz QDOXGPYRDJWTEX-CJNGLKHVSA-N 0 3 409.280 3.756 20 5 HHBDHN O=[N+]([O-])c1ccc(-c2ccc(CNC[C@H]3CN(Cc4ccccc4)CCO3)o2)cc1 ZINC000517540003 1007755012 /nfs/dbraw/zinc/75/50/12/1007755012.db2.gz RXABCRQWCMOPII-QFIPXVFZSA-N 0 3 407.470 3.845 20 5 HHBDHN O=[N+]([O-])c1ccc(-c2ccc(CNC[C@@H]3CN(Cc4ccccc4)CCO3)o2)cc1 ZINC000517540001 1007755497 /nfs/dbraw/zinc/75/54/97/1007755497.db2.gz RXABCRQWCMOPII-JOCHJYFZSA-N 0 3 407.470 3.845 20 5 HHBDHN CCOc1cc(CN2C3CCC2CC3)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000535783024 1007790705 /nfs/dbraw/zinc/79/07/05/1007790705.db2.gz CVJBWDBMWDGSFG-UHFFFAOYSA-N 0 3 400.479 3.704 20 5 HHBDHN O=[N+]([O-])c1cc(CN2CCN(C[C@H]3CCOC3)CC2)ccc1Oc1ccc(F)cc1 ZINC000539823080 1008117203 /nfs/dbraw/zinc/11/72/03/1008117203.db2.gz PCKDIHLSNFLJON-GOSISDBHSA-N 0 3 415.465 3.680 20 5 HHBDHN COc1ccc([C@H](CN2CCCC2)NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)cc1 ZINC000536095490 1008118449 /nfs/dbraw/zinc/11/84/49/1008118449.db2.gz MWYOUVQEGBMERI-NRFANRHFSA-N 0 3 424.501 3.745 20 5 HHBDHN COc1cc(CN(C)C2CCC(OC)CC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000539833302 1008126899 /nfs/dbraw/zinc/12/68/99/1008126899.db2.gz QGIRPLIGFOAZGD-UHFFFAOYSA-N 0 3 406.401 3.934 20 5 HHBDHN COc1cc(CN2CCC[C@@H]([C@@H]3CCOC3)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000539898214 1008171388 /nfs/dbraw/zinc/17/13/88/1008171388.db2.gz NGLZCXZDJVNZQE-ZIAGYGMSSA-N 0 3 418.412 3.793 20 5 HHBDHN CN(c1ccccc1)c1ccc(CN2CCCC[C@H]2[C@@H]2CNC(=O)C2)cc1[N+](=O)[O-] ZINC000539923767 1008186455 /nfs/dbraw/zinc/18/64/55/1008186455.db2.gz CPZAUJWJXDRKCZ-ICSRJNTNSA-N 0 3 408.502 3.853 20 5 HHBDHN Cc1c(NC(=O)CCN2CC=C(c3ccc4c(c3)OCCO4)CC2)cccc1[N+](=O)[O-] ZINC000540045196 1008254557 /nfs/dbraw/zinc/25/45/57/1008254557.db2.gz IUCUDIYMWWATEV-UHFFFAOYSA-N 0 3 423.469 3.792 20 5 HHBDHN COc1ccc(NC(=O)[C@@H](C)N[C@H](C)c2cccc(N3CCCC3)c2)c([N+](=O)[O-])c1 ZINC000540478879 1008447866 /nfs/dbraw/zinc/44/78/66/1008447866.db2.gz QBSHNTFIOBTXHS-HZPDHXFCSA-N 0 3 412.490 3.881 20 5 HHBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C(C)C)N2CCc3ccccc3C2)c1 ZINC000549199014 1008772257 /nfs/dbraw/zinc/77/22/57/1008772257.db2.gz DTCYRKSWWZMOTH-JOCHJYFZSA-N 0 3 411.502 3.806 20 5 HHBDHN COc1ccc(CNC(=O)N(CCN(C)C)Cc2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000519506629 1008879324 /nfs/dbraw/zinc/87/93/24/1008879324.db2.gz WPNQAOSYNNSOMQ-UHFFFAOYSA-N 0 3 420.897 3.530 20 5 HHBDHN COc1cc(Br)ccc1CCCN1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000543479033 1009068315 /nfs/dbraw/zinc/06/83/15/1009068315.db2.gz NQECXAZKMLFIEU-UHFFFAOYSA-N 0 3 406.280 3.752 20 5 HHBDHN C[C@H](Cn1cccn1)NCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000520208440 1009343418 /nfs/dbraw/zinc/34/34/18/1009343418.db2.gz XRWZQNJFZAZLIT-GFCCVEGCSA-N 0 3 405.252 3.992 20 5 HHBDHN C[C@](O)(C1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1)C(F)(F)F ZINC000546638751 1009645537 /nfs/dbraw/zinc/64/55/37/1009645537.db2.gz KAMHRDOJYWBPRW-SFHVURJKSA-N 0 3 413.396 3.818 20 5 HHBDHN CN(c1ccccc1)c1ccc(CN[C@H](CO)C[C@@H](O)C(C)(C)C)cc1[N+](=O)[O-] ZINC000551230346 1010452843 /nfs/dbraw/zinc/45/28/43/1010452843.db2.gz XTUDACBEOWYXOQ-LAUBAEHRSA-N 0 3 401.507 3.610 20 5 HHBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000521569450 1010470029 /nfs/dbraw/zinc/47/00/29/1010470029.db2.gz OTUSETTYDLINDU-HNNXBMFYSA-N 0 3 405.495 3.805 20 5 HHBDHN O=C(c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)N1CC[C@@H](N2CCCCC2)C1 ZINC000521690097 1010554048 /nfs/dbraw/zinc/55/40/48/1010554048.db2.gz PPQWQGLQFWQVME-HXUWFJFHSA-N 0 3 408.502 3.907 20 5 HHBDHN C[C@@H](NC(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000521779993 1010613416 /nfs/dbraw/zinc/61/34/16/1010613416.db2.gz MVAIJJJLFIIHGQ-QGZVFWFLSA-N 0 3 418.538 3.769 20 5 HHBDHN CCO[C@@H]1C[C@@H](NCc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)[C@@]12CCCO2 ZINC000545353515 1010745910 /nfs/dbraw/zinc/74/59/10/1010745910.db2.gz NLSUVAXNTFZAAJ-NJYVYQBISA-N 0 3 402.447 3.680 20 5 HHBDHN COc1ccc(CN2CCC[C@H]([C@H](C)O)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000540961718 1011603165 /nfs/dbraw/zinc/60/31/65/1011603165.db2.gz GEJFMCZYSMEKLX-LPHOPBHVSA-N 0 3 400.475 3.775 20 5 HHBDHN COc1cc(CNc2cccc(N(C)C)n2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000541015024 1011649469 /nfs/dbraw/zinc/64/94/69/1011649469.db2.gz OACPBQVXYVTCDV-UHFFFAOYSA-N 0 3 400.357 3.618 20 5 HHBDHN O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CCN(c2ccnc3ccccc32)CC1 ZINC000552007820 1012046052 /nfs/dbraw/zinc/04/60/52/1012046052.db2.gz NEENDNKTVWJITE-UHFFFAOYSA-N 0 3 401.426 3.587 20 5 HHBDHN C[C@H](C(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1)c1ccc([N+](=O)[O-])cc1F ZINC000541623795 1012434404 /nfs/dbraw/zinc/43/44/04/1012434404.db2.gz XCYJJMHJCPBLIC-ZDUSSCGKSA-N 0 3 409.408 3.706 20 5 HHBDHN CN(c1ccccc1)c1ccc(CN2CCC[C@H](Cn3ccnn3)C2)cc1[N+](=O)[O-] ZINC000538799335 1072674773 /nfs/dbraw/zinc/67/47/73/1072674773.db2.gz ZMYXHSKOROVYFY-IBGZPJMESA-N 0 3 406.490 3.866 20 5 HHBDHN O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCC[C@@H]1CN1CCCCC1 ZINC000589952684 1073396651 /nfs/dbraw/zinc/39/66/51/1073396651.db2.gz MHMSEFHBQRKSIE-LJQANCHMSA-N 0 3 403.526 3.632 20 5 HHBDHN C[C@@H](NC[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(F)c(Br)c1 ZINC000590192912 1073639340 /nfs/dbraw/zinc/63/93/40/1073639340.db2.gz IWTOOMXDTHTYIW-BXUZGUMPSA-N 0 3 413.243 3.587 20 5 HHBDHN CN1C[C@H]2CCN(C(=O)c3ccc(NCc4ccccc4Cl)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000590445873 1073838750 /nfs/dbraw/zinc/83/87/50/1073838750.db2.gz SOEIKQVMCJUHDW-OXQOHEQNSA-N 0 3 414.893 3.636 20 5 HHBDHN COC(=O)c1c(Cl)c(NC[C@H](c2cccc(OC)c2)N(C)C)ccc1[N+](=O)[O-] ZINC000590570090 1073920383 /nfs/dbraw/zinc/92/03/83/1073920383.db2.gz USFFRHGLAFKHMT-MRXNPFEDSA-N 0 3 407.854 3.758 20 5 HHBDHN O=[N+]([O-])c1cc(I)cc(CNCCOCc2ccccc2)c1 ZINC000574322320 1075220401 /nfs/dbraw/zinc/22/04/01/1075220401.db2.gz MZMIBBGVYWLSQT-UHFFFAOYSA-N 0 3 412.227 3.506 20 5 HHBDHN C[C@@H](Nc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-])[C@H]1CCCN(C2CCC2)C1 ZINC000302039214 971158270 /nfs/dbraw/zinc/15/82/70/971158270.db2.gz HDNCUQHDYABLKV-OLZOCXBDSA-N 0 3 417.478 3.656 20 5 HHBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000303753041 972005535 /nfs/dbraw/zinc/00/55/35/972005535.db2.gz CHZJIRSJMIIAED-PKOBYXMFSA-N 0 3 417.531 3.577 20 5 HHBDHN Cc1ccc(S(=O)(=O)N(C)[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000303871810 972413195 /nfs/dbraw/zinc/41/31/95/972413195.db2.gz XQCOGDIWOKRMOP-MJGOQNOKSA-N 0 3 417.531 3.577 20 5 HHBDHN CC1CCN([C@H](CNC(=O)COc2ccc([N+](=O)[O-])cc2)c2cccs2)CC1 ZINC000022680740 963695270 /nfs/dbraw/zinc/69/52/70/963695270.db2.gz FLTXPEDJJNUDCL-GOSISDBHSA-N 0 3 403.504 3.625 20 5 HHBDHN COc1cc(CN(C)CCC(=O)Nc2ccccc2[N+](=O)[O-])ccc1OC(F)F ZINC000026225308 964492768 /nfs/dbraw/zinc/49/27/68/964492768.db2.gz FKSYAPPOOVFIGJ-UHFFFAOYSA-N 0 3 409.389 3.665 20 5 HHBDHN CC[C@H](N[C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[C@H]1CCCO1 ZINC000542562093 1013504519 /nfs/dbraw/zinc/50/45/19/1013504519.db2.gz GJVNULAJNCNONE-ISTRZQFTSA-N 0 3 404.492 3.593 20 5 HHBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC[C@@H](c3nc4ccccc4s3)C2)c1 ZINC000026713309 964654805 /nfs/dbraw/zinc/65/48/05/964654805.db2.gz MPWFHFILFLVCSK-WBVHZDCISA-N 0 3 413.499 3.824 20 5 HHBDHN COc1ccc2oc([C@@H](C)NC[C@H](O)COc3ccccc3[N+](=O)[O-])c(C)c2c1 ZINC000542582177 1013523288 /nfs/dbraw/zinc/52/32/88/1013523288.db2.gz FCXDHYQOHMVZOR-CABCVRRESA-N 0 3 400.431 3.749 20 5 HHBDHN CC1CCN([C@H](CNC(=O)COc2cccc([N+](=O)[O-])c2)c2cccs2)CC1 ZINC000028834201 965193778 /nfs/dbraw/zinc/19/37/78/965193778.db2.gz MHQAAIPERAXVOK-GOSISDBHSA-N 0 3 403.504 3.625 20 5 HHBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000060089826 966059656 /nfs/dbraw/zinc/05/96/56/966059656.db2.gz LUPZGCDCYJIYHG-LJQANCHMSA-N 0 3 411.458 3.840 20 5 HHBDHN O=C(Nc1ccc(CCN2CCSCC2)cc1)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000061572328 966504999 /nfs/dbraw/zinc/50/49/99/966504999.db2.gz CVYPBSNDKZDIQT-UHFFFAOYSA-N 0 3 410.499 3.920 20 5 HHBDHN COc1ccc([N+](=O)[O-])cc1NC(=S)NC1CCN(Cc2ccccc2)CC1 ZINC000063131061 966759838 /nfs/dbraw/zinc/75/98/38/966759838.db2.gz WRMNUNKKEPXDOO-UHFFFAOYSA-N 0 3 400.504 3.554 20 5 HHBDHN CN(C)[C@@H](CNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)Cc1ccccc1 ZINC000065087015 967370974 /nfs/dbraw/zinc/37/09/74/967370974.db2.gz GWGRUMIIYCRFCI-GOSISDBHSA-N 0 3 410.499 3.621 20 5 HHBDHN CCc1ccc([C@H](CNC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)N(C)C)cc1 ZINC000542869940 1013723223 /nfs/dbraw/zinc/72/32/23/1013723223.db2.gz UVZWKSHHIDEHAV-KRWDZBQOSA-N 0 3 407.417 3.791 20 5 HHBDHN CC(C)Oc1ccc([C@H](CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)N(C)C)cc1 ZINC000554015082 1013754228 /nfs/dbraw/zinc/75/42/28/1013754228.db2.gz JWRDVNXXMOAABM-QFIPXVFZSA-N 0 3 424.501 3.756 20 5 HHBDHN C[C@@H]1C[C@@H]1N1CCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H](C)C1 ZINC000554111862 1013802948 /nfs/dbraw/zinc/80/29/48/1013802948.db2.gz JAVHGMVVIKCMBR-IYOUNJFTSA-N 0 3 400.504 3.521 20 5 HHBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000538269203 1013809671 /nfs/dbraw/zinc/80/96/71/1013809671.db2.gz VPOMLQOEZVRNBT-CABCVRRESA-N 0 3 423.473 3.775 20 5 HHBDHN Cc1ccc([C@H](C)NC[C@H](O)COc2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000538278729 1013817191 /nfs/dbraw/zinc/81/71/91/1013817191.db2.gz BLDXIJPBXGYZTQ-BBRMVZONSA-N 0 3 409.280 3.756 20 5 HHBDHN CCN1CCN(Cc2ccc(NC(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)cc2)CC1 ZINC000071956401 968909025 /nfs/dbraw/zinc/90/90/25/968909025.db2.gz NSHCEQWRGSENDI-UHFFFAOYSA-N 0 3 423.517 3.559 20 5 HHBDHN CCOc1cc(CN2CC[C@H]2C(C)C)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000538304429 1013837790 /nfs/dbraw/zinc/83/77/90/1013837790.db2.gz GVTALXMGWWHZRQ-SFHVURJKSA-N 0 3 402.495 3.808 20 5 HHBDHN C[C@H]([NH2+]C(C)(C)C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000111048541 969766825 /nfs/dbraw/zinc/76/68/25/969766825.db2.gz ZUCSIOSKCOMRNV-ZDUSSCGKSA-N 0 3 411.911 3.656 20 5 HHBDHN COc1cc(CNCC2(O)CCCCCC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000237133442 970228714 /nfs/dbraw/zinc/22/87/14/970228714.db2.gz QYKOANFQFWKTAX-UHFFFAOYSA-N 0 3 406.401 3.719 20 5 HHBDHN COc1cc(CNCCc2ccc(F)c(Br)c2)c([N+](=O)[O-])cc1OC ZINC000237196746 970239843 /nfs/dbraw/zinc/23/98/43/970239843.db2.gz AVLMXFQHYIOWBK-UHFFFAOYSA-N 0 3 413.243 3.846 20 5 HHBDHN COc1cc(CN[C@H]2CCC[C@]2(C)CO)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000237244777 970247592 /nfs/dbraw/zinc/24/75/92/970247592.db2.gz YNHGUIFPGQFWFN-FCHUYYIVSA-N 0 3 400.475 3.823 20 5 HHBDHN COc1cc(CNCCCc2cn(-c3ccccc3)nc2C)c([N+](=O)[O-])cc1OC ZINC000237394096 970276473 /nfs/dbraw/zinc/27/64/73/970276473.db2.gz UIUJHGHTBWKOTF-UHFFFAOYSA-N 0 3 410.474 3.829 20 5 HHBDHN CN(C)CCN(Cc1ccccc1)C(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000310363909 972620674 /nfs/dbraw/zinc/62/06/74/972620674.db2.gz YMTCCFDQUUADJQ-UHFFFAOYSA-N 0 3 406.280 3.561 20 5 HHBDHN CN1CC[C@H](NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)[C@@H]1c1ccccc1 ZINC000425980866 974090564 /nfs/dbraw/zinc/09/05/64/974090564.db2.gz PGMXQKZNHHJAJE-ROUUACIJSA-N 0 3 422.407 3.858 20 5 HHBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC(CCN3C[C@@H](C)O[C@H](C)C3)CC2)c1 ZINC000427297943 975034710 /nfs/dbraw/zinc/03/47/10/975034710.db2.gz YABKMGLROYSUJQ-HZPDHXFCSA-N 0 3 421.563 3.668 20 5 HHBDHN CN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000432758966 978962281 /nfs/dbraw/zinc/96/22/81/978962281.db2.gz SEIIHXFQBHEXJP-QGZVFWFLSA-N 0 3 418.291 3.704 20 5 HHBDHN COC[C@@H](NCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCO1 ZINC000433199343 979136585 /nfs/dbraw/zinc/13/65/85/979136585.db2.gz LBAUYXBTAMFWRR-YADHBBJMSA-N 0 3 422.485 3.731 20 5 HHBDHN CCCN(C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-])[C@H]1CCCN(Cc2ccccc2)C1 ZINC000434190881 979956520 /nfs/dbraw/zinc/95/65/20/979956520.db2.gz KNFFUAZZHVYOLL-SFHVURJKSA-N 0 3 413.522 3.958 20 5 HHBDHN Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000434310719 980070678 /nfs/dbraw/zinc/07/06/78/980070678.db2.gz CKCZAHUWVPWRQX-QGZVFWFLSA-N 0 3 411.487 3.861 20 5 HHBDHN Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000434313957 980074990 /nfs/dbraw/zinc/07/49/90/980074990.db2.gz CFRQOHJVFUHCAW-OAQYLSRUSA-N 0 3 419.485 3.728 20 5 HHBDHN Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000434322675 980085923 /nfs/dbraw/zinc/08/59/23/980085923.db2.gz WXBOKPCHGUBXBV-FQEVSTJZSA-N 0 3 405.458 3.799 20 5 HHBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000434666827 980329441 /nfs/dbraw/zinc/32/94/41/980329441.db2.gz VDHFPPQVUKEJFZ-UHFFFAOYSA-N 0 3 413.449 3.966 20 5 HHBDHN Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)n([C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000435302174 980768083 /nfs/dbraw/zinc/76/80/83/980768083.db2.gz LITAYRVIIQSMOC-HXUWFJFHSA-N 0 3 405.458 3.799 20 5 HHBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1 ZINC000435366861 980815308 /nfs/dbraw/zinc/81/53/08/980815308.db2.gz OYMAZKKUJIXNAG-IBGZPJMESA-N 0 3 405.458 3.799 20 5 HHBDHN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccnn2[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000435371470 980820596 /nfs/dbraw/zinc/82/05/96/980820596.db2.gz VGDHAAPZDDLOAG-SFHVURJKSA-N 0 3 405.458 3.799 20 5 HHBDHN CN(C)Cc1ccccc1CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000435818387 981044422 /nfs/dbraw/zinc/04/44/22/981044422.db2.gz SDVGWXCMYMHMPB-UHFFFAOYSA-N 0 3 403.457 3.812 20 5 HHBDHN CN1CCC(N(Cc2ccccc2)C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000438710801 983019043 /nfs/dbraw/zinc/01/90/43/983019043.db2.gz DYSDRPUIYCOKCH-UHFFFAOYSA-N 0 3 419.485 3.517 20 5 HHBDHN O=[N+]([O-])c1ccc(OC2CCN(C[C@H](O)COc3ccccc3Cl)CC2)cc1 ZINC000438817871 983091835 /nfs/dbraw/zinc/09/18/35/983091835.db2.gz HEXRGZBFQDUYTJ-INIZCTEOSA-N 0 3 406.866 3.531 20 5 HHBDHN C[C@@H](c1ccncc1)N1CCC(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC1 ZINC000439732803 983518711 /nfs/dbraw/zinc/51/87/11/983518711.db2.gz BETYSMJBZSRQAP-HNNXBMFYSA-N 0 3 409.490 3.520 20 5 HHBDHN C[S@](=O)C1(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CC1 ZINC000441385394 984223506 /nfs/dbraw/zinc/22/35/06/984223506.db2.gz VKWDIFGFDGWXDS-DEOSSOPVSA-N 0 3 413.293 3.618 20 5 HHBDHN Cc1cc(N2CCN(c3ccc(CN(C)C)cn3)CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461967847 984954753 /nfs/dbraw/zinc/95/47/53/984954753.db2.gz RLQAGVRUQJDFNU-UHFFFAOYSA-N 0 3 423.439 3.705 20 5 HHBDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000462158040 985132592 /nfs/dbraw/zinc/13/25/92/985132592.db2.gz KCINCRDIJOEVDK-UGSOOPFHSA-N 0 3 418.291 3.608 20 5 HHBDHN C[C@@H](NC[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(Br)s1 ZINC000443329880 985499226 /nfs/dbraw/zinc/49/92/26/985499226.db2.gz MPKPYIBBPKZJMA-ZYHUDNBSSA-N 0 3 401.282 3.509 20 5 HHBDHN CCc1ccc(C(=O)NC2CCN(CCOc3ccc(F)cc3)CC2)cc1[N+](=O)[O-] ZINC000443351005 985515103 /nfs/dbraw/zinc/51/51/03/985515103.db2.gz KJRFCDYSJFNWJX-UHFFFAOYSA-N 0 3 415.465 3.570 20 5 HHBDHN COc1cc(CN[C@H]2C[C@H](OC(C)C)C2(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000468484108 986181591 /nfs/dbraw/zinc/18/15/91/986181591.db2.gz PRODNYZMMXYZPO-IRXDYDNUSA-N 0 3 402.438 3.929 20 5 HHBDHN O=C(c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)N1CCC[C@H](N2CCCC2)C1 ZINC000444007457 986203998 /nfs/dbraw/zinc/20/39/98/986203998.db2.gz DWKAHMPVWSDBKE-INIZCTEOSA-N 0 3 411.452 3.660 20 5 HHBDHN CC(C)C[C@@H](CNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)N(C)C ZINC000444007936 986204211 /nfs/dbraw/zinc/20/42/11/986204211.db2.gz DHXZAWQPUIENHC-AWEZNQCLSA-N 0 3 401.457 3.666 20 5 HHBDHN O=[N+]([O-])c1ccc(OC2CCN(CCCOc3ccc4c(c3)OCO4)CC2)cc1 ZINC000464780852 989007330 /nfs/dbraw/zinc/00/73/30/989007330.db2.gz XMRZIDHOPFZDIJ-UHFFFAOYSA-N 0 3 400.431 3.636 20 5 HHBDHN CCN1CCN(c2cccc(NC(=O)[C@@H](C)c3ccc([N+](=O)[O-])cc3F)c2)CC1 ZINC000471634613 989841708 /nfs/dbraw/zinc/84/17/08/989841708.db2.gz NFYXZRRMKUWHPQ-HNNXBMFYSA-N 0 3 400.454 3.618 20 5 HHBDHN CCN1CCN(c2cccc(NC(=O)[C@@H](C)Sc3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000471656951 989859701 /nfs/dbraw/zinc/85/97/01/989859701.db2.gz VHWVQQGOCRTDIL-MRXNPFEDSA-N 0 3 414.531 3.856 20 5 HHBDHN COCc1ccc([C@H]2CCCN2CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)o1 ZINC000467127605 992444763 /nfs/dbraw/zinc/44/47/63/992444763.db2.gz VTZMBMNRAWOLFM-QGZVFWFLSA-N 0 3 403.435 3.509 20 5 HHBDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000467215294 992539611 /nfs/dbraw/zinc/53/96/11/992539611.db2.gz GWPVDRSVQZGJRU-IFXJQAMLSA-N 0 3 402.882 3.568 20 5 HHBDHN C[C@@H](Cc1cccc(C(F)(F)F)c1)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000467351816 992670568 /nfs/dbraw/zinc/67/05/68/992670568.db2.gz CRSYTWDGBCJCDW-ZDUSSCGKSA-N 0 3 416.421 3.608 20 5 HHBDHN CCOC(=O)[C@@]1(COC)CCCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000467539416 992818799 /nfs/dbraw/zinc/81/87/99/992818799.db2.gz HHWFRUNWAZHKJJ-NRFANRHFSA-N 0 3 402.447 3.647 20 5 HHBDHN C[C@@H]1C[C@@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])CN1Cc1ccccc1 ZINC000467687992 992944658 /nfs/dbraw/zinc/94/46/58/992944658.db2.gz KEAIPDJNDWIVRO-CZUORRHYSA-N 0 3 418.291 3.750 20 5 HHBDHN C[C@@H]1C[C@@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CN1Cc1ccccc1 ZINC000467697120 992953221 /nfs/dbraw/zinc/95/32/21/992953221.db2.gz QIZJOILIEGEXGI-YLJYHZDGSA-N 0 3 408.502 3.588 20 5 HHBDHN Cc1c([C@@H](C)NCCNC(=O)c2ccc(Br)cc2)cccc1[N+](=O)[O-] ZINC000480913233 993768556 /nfs/dbraw/zinc/76/85/56/993768556.db2.gz WBNHCOCOMQBLEU-CYBMUJFWSA-N 0 3 406.280 3.746 20 5 HHBDHN Cc1ccc([C@@H](C)NCCNC(=O)c2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000480916371 993771450 /nfs/dbraw/zinc/77/14/50/993771450.db2.gz ZFWAHRYVYQSJMG-CYBMUJFWSA-N 0 3 406.280 3.746 20 5 HHBDHN COc1ccc(-c2ccc(CN3CCSC4(CCOCC4)C3)o2)c([N+](=O)[O-])c1 ZINC000473068974 993989743 /nfs/dbraw/zinc/98/97/43/993989743.db2.gz CBQCPHYKUDJBBH-UHFFFAOYSA-N 0 3 404.488 3.961 20 5 HHBDHN O=[N+]([O-])c1ccc2[nH]c(N3CCCN(Cc4cc(-c5ccccc5)no4)CC3)nc2c1 ZINC000481176418 994007167 /nfs/dbraw/zinc/00/71/67/994007167.db2.gz OKXPBISTXAVMCL-UHFFFAOYSA-N 0 3 418.457 3.838 20 5 HHBDHN Cc1c(CNC(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000481461276 994295949 /nfs/dbraw/zinc/29/59/49/994295949.db2.gz BCEDTQNVZCKWGC-HXUWFJFHSA-N 0 3 421.419 3.974 20 5 HHBDHN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000473518090 994371414 /nfs/dbraw/zinc/37/14/14/994371414.db2.gz JLGJMMOXRJVBBR-UHFFFAOYSA-N 0 3 419.831 3.712 20 5 HHBDHN O=C(NC1CC(N2CCC(C(F)(F)F)CC2)C1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000473517931 994372042 /nfs/dbraw/zinc/37/20/42/994372042.db2.gz BZKGBHUBTLKONF-UHFFFAOYSA-N 0 3 405.804 3.783 20 5 HHBDHN COc1cc(CN[C@@H]2CCCO[C@H]2CC(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000481759539 994612439 /nfs/dbraw/zinc/61/24/39/994612439.db2.gz GWXLBZGTCLBGDX-ZBFHGGJFSA-N 0 3 402.438 3.931 20 5 HHBDHN CCOC(=O)C[C@H]1C[C@@H](OC)CN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000482501777 995511779 /nfs/dbraw/zinc/51/17/79/995511779.db2.gz CTIRLHPBZKMFNA-IAGOWNOFSA-N 0 3 404.488 3.866 20 5 HHBDHN CN(C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)[C@H]1CCN(Cc2ccccc2)C1 ZINC000474744030 995677831 /nfs/dbraw/zinc/67/78/31/995677831.db2.gz DQPVCIIFAPCRGC-INIZCTEOSA-N 0 3 420.416 3.934 20 5 HHBDHN COc1cc([N+](=O)[O-])c(C(=O)NCCCN2CCc3ccccc3C2)cc1SC ZINC000482707730 995695672 /nfs/dbraw/zinc/69/56/72/995695672.db2.gz RWMNZCQDAOVIKW-UHFFFAOYSA-N 0 3 415.515 3.504 20 5 HHBDHN CSc1ccc(C(=O)NCC2(N3CCSCC3)CCCCC2)cc1[N+](=O)[O-] ZINC000482748080 995722721 /nfs/dbraw/zinc/72/27/21/995722721.db2.gz GDBLUWVMKRBZAZ-UHFFFAOYSA-N 0 3 409.577 3.798 20 5 HHBDHN CCNc1ccc(C(=O)NCC2(N3CCSCC3)CCCCC2)cc1[N+](=O)[O-] ZINC000482800338 995757492 /nfs/dbraw/zinc/75/74/92/995757492.db2.gz FYEOZPLMGVLEMN-UHFFFAOYSA-N 0 3 406.552 3.508 20 5 HHBDHN COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCN([C@@H](C)c3ccccc3)C2)cc1SC ZINC000483470790 996201202 /nfs/dbraw/zinc/20/12/02/996201202.db2.gz PFRJYCBRBLSAIE-HOCLYGCPSA-N 0 3 415.515 3.891 20 5 HHBDHN CC[C@H](C)N[C@@H](CNC(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1C)c1ccco1 ZINC000483548325 996244288 /nfs/dbraw/zinc/24/42/88/996244288.db2.gz KQRGEDAOWVNYHW-LRDDRELGSA-N 0 3 418.450 3.534 20 5 HHBDHN Cc1ccccc1O[C@@H]1CCCC[C@@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000484634923 996969867 /nfs/dbraw/zinc/96/98/67/996969867.db2.gz HQCBDPTVMQYXHJ-PZJWPPBQSA-N 0 3 418.515 3.657 20 5 HHBDHN COc1ccc(NC(=O)CN[C@@H]2CCCC[C@@H]2Oc2ccccc2C)c([N+](=O)[O-])c1 ZINC000484653806 996990788 /nfs/dbraw/zinc/99/07/88/996990788.db2.gz PFKRDXDUDNDGPF-NQIIRXRSSA-N 0 3 413.474 3.830 20 5 HHBDHN O=C(Nc1cccc(CN2CCC(CO)CC2)c1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000477740641 998478509 /nfs/dbraw/zinc/47/85/09/998478509.db2.gz FJPCZDCJXIQEPS-UHFFFAOYSA-N 0 3 409.442 3.798 20 5 HHBDHN COc1cccc(CN(CCN(C)C)C(=O)c2cccc(SC)c2[N+](=O)[O-])c1 ZINC000486134496 998582788 /nfs/dbraw/zinc/58/27/88/998582788.db2.gz GJCFCUKVDSAZGR-UHFFFAOYSA-N 0 3 403.504 3.529 20 5 HHBDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000486300803 998702560 /nfs/dbraw/zinc/70/25/60/998702560.db2.gz VAALPIALYZLJJM-KXBFYZLASA-N 0 3 416.909 3.925 20 5 HHBDHN COc1ccc(CN2C[C@H]3CCC[C@@]3(c3nc(-c4cccnc4)no3)C2)cc1[N+](=O)[O-] ZINC000486438206 998768491 /nfs/dbraw/zinc/76/84/91/998768491.db2.gz YOYRCOFNHVLBHT-VGOFRKELSA-N 0 3 421.457 3.602 20 5 HHBDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000487713658 999262223 /nfs/dbraw/zinc/26/22/23/999262223.db2.gz CNPJEBGWWBGTMU-ZFWWWQNUSA-N 0 3 405.401 3.762 20 5 HHBDHN COc1cc(CNC[C@@H]2CCN(c3ccccc3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000491061537 1000041009 /nfs/dbraw/zinc/04/10/09/1000041009.db2.gz RLALUEMGZZSVHT-HNNXBMFYSA-N 0 3 421.444 3.863 20 5 HHBDHN COc1cc(CNC[C@H]2CCN(c3ccccc3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000491061539 1000041052 /nfs/dbraw/zinc/04/10/52/1000041052.db2.gz RLALUEMGZZSVHT-OAHLLOKOSA-N 0 3 421.444 3.863 20 5 HHBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000491521819 1000080924 /nfs/dbraw/zinc/08/09/24/1000080924.db2.gz OUHHSSXGVSDOPI-IBGZPJMESA-N 0 3 423.391 3.997 20 5 HHBDHN CN(C)[C@@H](CNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)Cc1ccccc1 ZINC000494211883 1000365743 /nfs/dbraw/zinc/36/57/43/1000365743.db2.gz JBZNAJJWTRNIJS-GOSISDBHSA-N 0 3 424.423 3.586 20 5 HHBDHN CN(CCNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)Cc1ccccc1 ZINC000494352870 1000449152 /nfs/dbraw/zinc/44/91/52/1000449152.db2.gz SMPNCVMOGHGETI-UHFFFAOYSA-N 0 3 410.396 3.545 20 5 HHBDHN CCO[C@H]1C[C@H](NCc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C12CCC2 ZINC000494680249 1000600683 /nfs/dbraw/zinc/60/06/83/1000600683.db2.gz MRLKULAXOCLJOP-IRXDYDNUSA-N 0 3 400.422 3.685 20 5 HHBDHN O=[N+]([O-])c1cccc([C@H](NC[C@@H]2C[C@H](O)CN2Cc2ccccc2)c2ccccc2)c1 ZINC000494969374 1000757238 /nfs/dbraw/zinc/75/72/38/1000757238.db2.gz MBPCARREFBOVJL-CCDWMCETSA-N 0 3 417.509 3.909 20 5 HHBDHN C[C@@H]1C[C@H](NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)CN1Cc1ccccc1 ZINC000495007853 1000775793 /nfs/dbraw/zinc/77/57/93/1000775793.db2.gz PUAPSEFMBYKQDK-XLIONFOSSA-N 0 3 408.502 3.932 20 5 HHBDHN CN1CCC(N(Cc2ccccc2)C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC1 ZINC000495383533 1000992397 /nfs/dbraw/zinc/99/23/97/1000992397.db2.gz HYSSSSXWLGIQPM-UHFFFAOYSA-N 0 3 419.485 3.517 20 5 HHBDHN COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C)cc(CN(C)C)c1 ZINC000496787005 1001228358 /nfs/dbraw/zinc/22/83/58/1001228358.db2.gz XJKGOVOGWOXYFC-UHFFFAOYSA-N 0 3 403.504 3.956 20 5 HHBDHN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC(C)(C)N1CCC(OC)CC1 ZINC000506364443 1001379009 /nfs/dbraw/zinc/37/90/09/1001379009.db2.gz RVFWUIRXRVHZEO-UHFFFAOYSA-N 0 3 409.552 3.716 20 5 HHBDHN CC[C@@H](N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)c1ccc(OC)c(OC)c1 ZINC000506601949 1001468386 /nfs/dbraw/zinc/46/83/86/1001468386.db2.gz NLEFZXMMZKWELL-GOEBONIOSA-N 0 3 401.463 3.988 20 5 HHBDHN CCN1CCN(c2ccc(Nc3cc4c(cc3[N+](=O)[O-])CCC(=O)N4)c(C)c2)CC1 ZINC000506802332 1001537740 /nfs/dbraw/zinc/53/77/40/1001537740.db2.gz BAHSBJNRHFWPRW-UHFFFAOYSA-N 0 3 409.490 3.673 20 5 HHBDHN CCNc1ccc(C(=O)N(CCN(C)C)Cc2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000497902630 1001558072 /nfs/dbraw/zinc/55/80/72/1001558072.db2.gz YUQNYITVFIWXEN-UHFFFAOYSA-N 0 3 404.898 3.884 20 5 HHBDHN C[C@@H](CN1CCCCC1)NC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000506896712 1001585267 /nfs/dbraw/zinc/58/52/67/1001585267.db2.gz UZGLCUGIPQBSAA-IRXDYDNUSA-N 0 3 411.506 3.767 20 5 HHBDHN COc1cc(C(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000499147520 1002531132 /nfs/dbraw/zinc/53/11/32/1002531132.db2.gz FGFNSLCDYPYHCI-INIZCTEOSA-N 0 3 423.416 3.546 20 5 HHBDHN O=C(N1CCc2ccc([N+](=O)[O-])cc21)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000508797137 1003225701 /nfs/dbraw/zinc/22/57/01/1003225701.db2.gz TWLVGCMLNQIVTA-HXUWFJFHSA-N 0 3 419.403 3.939 20 5 HHBDHN C[C@]1(CN[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CCOC1 ZINC000500290183 1003602549 /nfs/dbraw/zinc/60/25/49/1003602549.db2.gz MUUCRBAFGXZKNF-UYAOXDASSA-N 0 3 403.866 3.944 20 5 HHBDHN COc1ccc([C@@H](CN2CCCC2)NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)cc1 ZINC000500424890 1003708344 /nfs/dbraw/zinc/70/83/44/1003708344.db2.gz MZPGGZJILKMYPZ-OAQYLSRUSA-N 0 3 422.485 3.511 20 5 HHBDHN CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000501075448 1004180234 /nfs/dbraw/zinc/18/02/34/1004180234.db2.gz IKAUXPJXVMJSQA-HKUYNNGSSA-N 0 3 424.284 3.820 20 5 HHBDHN O=[N+]([O-])c1cccc(-c2nc(CN3CCC(CCN4CCOCC4)CC3)cs2)c1 ZINC000512427937 1004293701 /nfs/dbraw/zinc/29/37/01/1004293701.db2.gz OMEUAXHZGYMEAI-UHFFFAOYSA-N 0 3 416.547 3.653 20 5 HHBDHN CCCNC(=O)[C@H]1CCCN(Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C1 ZINC000512527399 1004362265 /nfs/dbraw/zinc/36/22/65/1004362265.db2.gz RNJACSOCJOVNLZ-HNNXBMFYSA-N 0 3 401.463 3.602 20 5 HHBDHN COc1ccccc1[C@@H]1CC[C@@H](C)CN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000510193358 1004387981 /nfs/dbraw/zinc/38/79/81/1004387981.db2.gz QECWNQWECBMNFV-LMMKCTJWSA-N 0 3 400.475 3.816 20 5 HHBDHN Cc1c(Br)cc(C(=O)N2C[C@@H](N(C)C)Cc3ccccc32)cc1[N+](=O)[O-] ZINC000510533956 1004665973 /nfs/dbraw/zinc/66/59/73/1004665973.db2.gz PMXSXSKDXUMKAL-HNNXBMFYSA-N 0 3 418.291 3.799 20 5 HHBDHN CC(C)[C@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc2c(c1)OCCO2 ZINC000510683742 1004797404 /nfs/dbraw/zinc/79/74/04/1004797404.db2.gz RKLCBFKIYYOVAE-FQEVSTJZSA-N 0 3 419.865 3.945 20 5 HHBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCCN(c2ccccc2F)CC1 ZINC000513401999 1004946011 /nfs/dbraw/zinc/94/60/11/1004946011.db2.gz RFTDKBDHDVXMOI-UHFFFAOYSA-N 0 3 400.454 3.583 20 5 HHBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCCN(c2ccccc2F)CC1 ZINC000513402394 1004946026 /nfs/dbraw/zinc/94/60/26/1004946026.db2.gz VUJQMSQTCRWBKB-UHFFFAOYSA-N 0 3 400.454 3.583 20 5 HHBDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000513698739 1005086991 /nfs/dbraw/zinc/08/69/91/1005086991.db2.gz FDBBXYDCWOQOKW-CZUORRHYSA-N 0 3 405.401 3.762 20 5 HHBDHN CCN(Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)Cc1ccc(C(=O)N(C)C)cc1 ZINC000513745905 1005106680 /nfs/dbraw/zinc/10/66/80/1005106680.db2.gz JUPANSMQMYUEET-UHFFFAOYSA-N 0 3 421.501 3.719 20 5 HHBDHN Cc1nccn1CCCCN1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000502708719 1005186878 /nfs/dbraw/zinc/18/68/78/1005186878.db2.gz YALSGBIOCVXLQB-UHFFFAOYSA-N 0 3 411.428 3.721 20 5 HHBDHN COc1cccc([C@@H](CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)N2CCCC2)c1 ZINC000534648131 1006626954 /nfs/dbraw/zinc/62/69/54/1006626954.db2.gz GVMQCFPGYICBKE-JOCHJYFZSA-N 0 3 422.485 3.581 20 5 HHBDHN O=[N+]([O-])c1cc(CN2CCN(C3CCOCC3)CC2)ccc1Oc1ccc(F)cc1 ZINC000538716961 1006989733 /nfs/dbraw/zinc/98/97/33/1006989733.db2.gz RRFYZSGIZSVQLR-UHFFFAOYSA-N 0 3 415.465 3.823 20 5 HHBDHN CCC[C@H]1CN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCN1CCOC ZINC000538810061 1007089256 /nfs/dbraw/zinc/08/92/56/1007089256.db2.gz UCSSEFNSEBYJKT-IBGZPJMESA-N 0 3 404.536 3.651 20 5 HHBDHN COc1ccc([C@H](CNc2ccc([N+](=O)[O-])c(OC(F)F)c2)N(C)C)cc1OC ZINC000538891837 1007169977 /nfs/dbraw/zinc/16/99/77/1007169977.db2.gz RMNRNOFPMSWVRQ-HNNXBMFYSA-N 0 3 411.405 3.928 20 5 HHBDHN Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2CNCCn2cc([N+](=O)[O-])cn2)cc1 ZINC000532866677 1007254404 /nfs/dbraw/zinc/25/44/04/1007254404.db2.gz ZQCFDTVCUWBDRN-UHFFFAOYSA-N 0 3 420.448 3.881 20 5 HHBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000533401228 1007711868 /nfs/dbraw/zinc/71/18/68/1007711868.db2.gz XVERNEHDSQFIRZ-LJQANCHMSA-N 0 3 411.458 3.840 20 5 HHBDHN CCOc1ccc([C@H](C)N[C@@H](CN2CCN(C)CC2)c2ccccc2)cc1[N+](=O)[O-] ZINC000535777534 1007787378 /nfs/dbraw/zinc/78/73/78/1007787378.db2.gz GLUPBZKJSATFCN-RXVVDRJESA-N 0 3 412.534 3.633 20 5 HHBDHN CN(C)CCN(Cc1cccs1)C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000539488580 1007799162 /nfs/dbraw/zinc/79/91/62/1007799162.db2.gz MIJZZPPTFOMDHD-UHFFFAOYSA-N 0 3 410.499 3.922 20 5 HHBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N(CCN(C)C)Cc2ccc(F)c(F)c2)c1 ZINC000539515439 1007826105 /nfs/dbraw/zinc/82/61/05/1007826105.db2.gz LPYXRORROPPROF-UHFFFAOYSA-N 0 3 421.444 3.541 20 5 HHBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[C@@H](C)N(Cc3ccccc3)CC2)c1 ZINC000539527466 1007836164 /nfs/dbraw/zinc/83/61/64/1007836164.db2.gz MHAYDCANJHASFZ-LJQANCHMSA-N 0 3 411.502 3.795 20 5 HHBDHN COc1cccc(C2=CCN(CCCn3c4cc([N+](=O)[O-])ccc4oc3=O)CC2)c1 ZINC000533534099 1007857043 /nfs/dbraw/zinc/85/70/43/1007857043.db2.gz CMUIDQJAPNRHPI-UHFFFAOYSA-N 0 3 409.442 3.691 20 5 HHBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000540408457 1008420492 /nfs/dbraw/zinc/42/04/92/1008420492.db2.gz CENPLQQDVQDDSW-INIZCTEOSA-N 0 3 410.474 3.709 20 5 HHBDHN CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000518845806 1008443007 /nfs/dbraw/zinc/44/30/07/1008443007.db2.gz VXNYUAWHVYITFZ-KRWDZBQOSA-N 0 3 402.882 3.770 20 5 HHBDHN CC(C)N1CC[C@@H](NCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]1c1ccc(F)c(F)c1 ZINC000549118778 1008686292 /nfs/dbraw/zinc/68/62/92/1008686292.db2.gz WJMDGKOXPVITRV-WIYYLYMNSA-N 0 3 418.444 3.625 20 5 HHBDHN CSc1ccc([C@@H](CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)N(C)C)cc1 ZINC000549284959 1008855981 /nfs/dbraw/zinc/85/59/81/1008855981.db2.gz CDSBWQFXFLSIMI-LJQANCHMSA-N 0 3 400.504 3.916 20 5 HHBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)c1 ZINC000549421033 1009009412 /nfs/dbraw/zinc/00/94/12/1009009412.db2.gz MMJQLODBPKNPFJ-HNNXBMFYSA-N 0 3 403.504 3.697 20 5 HHBDHN CN(C)C[C@H](NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000549615785 1009243615 /nfs/dbraw/zinc/24/36/15/1009243615.db2.gz GNGNCSQPQKCDTR-AWEZNQCLSA-N 0 3 413.808 3.882 20 5 HHBDHN CN(C)CCN(Cc1ccc(F)cc1F)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000520106571 1009263288 /nfs/dbraw/zinc/26/32/88/1009263288.db2.gz ICTARRQWJYCUQS-UHFFFAOYSA-N 0 3 403.385 3.823 20 5 HHBDHN CN(c1ccccc1)c1ccc(CNC[C@@H](O)COc2ccccc2)cc1[N+](=O)[O-] ZINC000520208836 1009343320 /nfs/dbraw/zinc/34/33/20/1009343320.db2.gz QCOCWEOBVKCPMY-HXUWFJFHSA-N 0 3 407.470 3.892 20 5 HHBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)N(CCCc1ccccc1)CCN(C)C ZINC000521432525 1010373827 /nfs/dbraw/zinc/37/38/27/1010373827.db2.gz KKNKZCWYMNOHHK-UHFFFAOYSA-N 0 3 400.479 3.632 20 5 HHBDHN CN(c1ccccc1)c1ccc(CN[C@H](CO)C[C@H](O)C(C)(C)C)cc1[N+](=O)[O-] ZINC000551230348 1010452679 /nfs/dbraw/zinc/45/26/79/1010452679.db2.gz XTUDACBEOWYXOQ-UWJYYQICSA-N 0 3 401.507 3.610 20 5 HHBDHN COc1cc([N+](=O)[O-])c(C(=O)NC[C@@H](C)N(C)Cc2ccccc2)cc1SC ZINC000521957474 1010735446 /nfs/dbraw/zinc/73/54/46/1010735446.db2.gz KDDSTYUNTAPBEG-CQSZACIVSA-N 0 3 403.504 3.576 20 5 HHBDHN O=C(NCc1cccc([N+](=O)[O-])c1)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000522243810 1010885083 /nfs/dbraw/zinc/88/50/83/1010885083.db2.gz LEPRUWZJKFKRPU-LJQANCHMSA-N 0 3 407.392 3.666 20 5 HHBDHN COc1ccc(CNC(C)(C)COc2ncccc2Br)cc1[N+](=O)[O-] ZINC000540626837 1011276150 /nfs/dbraw/zinc/27/61/50/1011276150.db2.gz QDKHLLLHSCLXCS-UHFFFAOYSA-N 0 3 410.268 3.708 20 5 HHBDHN COc1ccc(NC(=O)[C@H](C)N[C@H](C)c2ccc(-n3ccnc3C)cc2)c([N+](=O)[O-])c1 ZINC000541023606 1011658264 /nfs/dbraw/zinc/65/82/64/1011658264.db2.gz DARCMBLABUOFQS-CABCVRRESA-N 0 3 423.473 3.775 20 5 HHBDHN COC(=O)C[C@H]1CCCN1Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000536659825 1011807584 /nfs/dbraw/zinc/80/75/84/1011807584.db2.gz IBIYJZLSFHTBLD-LJQANCHMSA-N 0 3 414.458 3.710 20 5 HHBDHN CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@@H](C)NCc1ccccc1[N+](=O)[O-] ZINC000541212628 1011883704 /nfs/dbraw/zinc/88/37/04/1011883704.db2.gz UXRKKJBAXLUDST-GFCCVEGCSA-N 0 3 419.503 3.957 20 5 HHBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000541352218 1012066415 /nfs/dbraw/zinc/06/64/15/1012066415.db2.gz NXVODRYFUHBCSW-CVEARBPZSA-N 0 3 413.499 3.824 20 5 HHBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000541352221 1012066791 /nfs/dbraw/zinc/06/67/91/1012066791.db2.gz NXVODRYFUHBCSW-JKSUJKDBSA-N 0 3 413.499 3.824 20 5 HHBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000541352219 1012066884 /nfs/dbraw/zinc/06/68/84/1012066884.db2.gz NXVODRYFUHBCSW-HOTGVXAUSA-N 0 3 413.499 3.824 20 5 HHBDHN CC1CCN([C@@H](CNC(=O)NCc2ccc([N+](=O)[O-])cc2)c2cccs2)CC1 ZINC000523565173 1012102913 /nfs/dbraw/zinc/10/29/13/1012102913.db2.gz MZEHMWLAOWFWAW-SFHVURJKSA-N 0 3 402.520 3.929 20 5 HHBDHN C[C@@H]1C[C@H]1[C@H](NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc(Cl)cc1 ZINC000537222376 1012649064 /nfs/dbraw/zinc/64/90/64/1012649064.db2.gz XQUUXYSFZHHDMX-QRVQBPJGSA-N 0 3 417.849 3.902 20 5 HHBDHN COc1ccc([C@@H](CN(C)C)NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000552816435 1012823772 /nfs/dbraw/zinc/82/37/72/1012823772.db2.gz QCHJKRAONNZSBJ-AUUYWEPGSA-N 0 3 403.504 3.503 20 5 HHBDHN CC(C)[C@@H](CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)N1CCc2ccccc2C1 ZINC000575948293 1071769630 /nfs/dbraw/zinc/76/96/30/1071769630.db2.gz HIDTZTKAXTYXCA-OAQYLSRUSA-N 0 3 417.456 3.615 20 5 HHBDHN C[C@@H](CN1C[C@H](C)C[C@H](C)C1)Nc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl ZINC000301228345 970820737 /nfs/dbraw/zinc/82/07/37/970820737.db2.gz HXTPQACVQUSWSG-ZNMIVQPWSA-N 0 3 419.913 3.572 20 5 HHBDHN Cc1cc(NC2CCN(CC(=O)Nc3ccccc3)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302211954 971208654 /nfs/dbraw/zinc/20/86/54/971208654.db2.gz YWCGHGKERWXWLX-UHFFFAOYSA-N 0 3 419.485 3.966 20 5 HHBDHN COc1ccc([C@H](CNc2nc3sccn3c2[N+](=O)[O-])N2CCCCC2)cc1 ZINC000302810793 971329968 /nfs/dbraw/zinc/32/99/68/971329968.db2.gz WDRYGWCOFIZWMF-INIZCTEOSA-N 0 3 401.492 3.952 20 5 HHBDHN C[C@@H]1CN(Cc2ccccc2)CCN1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000303878369 972419335 /nfs/dbraw/zinc/41/93/35/972419335.db2.gz QSEVDXNTFASRTG-GOSISDBHSA-N 0 3 406.486 3.999 20 5 HHBDHN Cc1cc(N2CCN(C)CC2)ccc1NCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000537722034 1013284390 /nfs/dbraw/zinc/28/43/90/1013284390.db2.gz WHCRLIJVBTXFIM-UHFFFAOYSA-N 0 3 420.517 3.668 20 5 HHBDHN CC1CCN([C@H](CNC(=O)COc2ccccc2[N+](=O)[O-])c2cccs2)CC1 ZINC000010448138 961823876 /nfs/dbraw/zinc/82/38/76/961823876.db2.gz ZUCDDMNECDDHBX-QGZVFWFLSA-N 0 3 403.504 3.625 20 5 HHBDHN CC(C)[C@H](CNC(=O)CSc1ccc([N+](=O)[O-])cc1)N1CCc2ccccc2C1 ZINC000025917410 964390364 /nfs/dbraw/zinc/39/03/64/964390364.db2.gz RORFHQLYCSPZOK-NRFANRHFSA-N 0 3 413.543 3.886 20 5 HHBDHN C[C@H](C(=O)NCC1(N2CCSCC2)CCCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000542554103 1013496660 /nfs/dbraw/zinc/49/66/60/1013496660.db2.gz RRQJXECRTDZZNX-HNNXBMFYSA-N 0 3 409.527 3.705 20 5 HHBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC(c3nc4ccccc4s3)CC2)c1 ZINC000026712543 964654671 /nfs/dbraw/zinc/65/46/71/964654671.db2.gz PBCMTGANZNAZIU-KRWDZBQOSA-N 0 3 413.499 3.824 20 5 HHBDHN CCNc1ccc(C(=O)Nc2ccc(N3CCN(CC)CC3)cc2C)cc1[N+](=O)[O-] ZINC000026908808 964719953 /nfs/dbraw/zinc/71/99/53/964719953.db2.gz AJBGMHFCFUIVGC-UHFFFAOYSA-N 0 3 411.506 3.729 20 5 HHBDHN C[C@H](Nc1ccc(C(=O)NCCN2CCC[C@H](C)C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000057171734 965324097 /nfs/dbraw/zinc/32/40/97/965324097.db2.gz CLFISMLUDSTYCB-IRXDYDNUSA-N 0 3 411.506 3.625 20 5 HHBDHN Cc1cccc(N2CCN(Cc3ccc(Nc4c([N+](=O)[O-])ncn4C)cc3)CC2)c1 ZINC000029620931 965433523 /nfs/dbraw/zinc/43/35/23/965433523.db2.gz VMOZNLPMCCFKOG-UHFFFAOYSA-N 0 3 406.490 3.703 20 5 HHBDHN Cc1ccccc1CN1CCCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000030154300 965621740 /nfs/dbraw/zinc/62/17/40/965621740.db2.gz JWKUDVNYBHJOHL-UHFFFAOYSA-N 0 3 407.474 3.661 20 5 HHBDHN CN(C)CCN(CCCc1ccccc1)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000063485953 966874265 /nfs/dbraw/zinc/87/42/65/966874265.db2.gz LOSSUILZHQFGIQ-UHFFFAOYSA-N 0 3 424.545 3.832 20 5 HHBDHN O=C(NCCCN1CCc2ccccc2C1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000064908151 967325424 /nfs/dbraw/zinc/32/54/24/967325424.db2.gz MKZNRWFAZCGHGL-UHFFFAOYSA-N 0 3 422.510 3.897 20 5 HHBDHN CCc1ccc([C@@H](CNC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)N(C)C)cc1 ZINC000542869941 1013723104 /nfs/dbraw/zinc/72/31/04/1013723104.db2.gz UVZWKSHHIDEHAV-QGZVFWFLSA-N 0 3 407.417 3.791 20 5 HHBDHN CCN1CC[C@@H](NCc2ccc(OC)c([N+](=O)[O-])c2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000542923515 1013759517 /nfs/dbraw/zinc/75/95/17/1013759517.db2.gz LENBLUWPUNSWSH-UZLBHIALSA-N 0 3 409.408 3.946 20 5 HHBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000047323355 968139037 /nfs/dbraw/zinc/13/90/37/968139037.db2.gz HFEWUPBXAKBLCN-UHFFFAOYSA-N 0 3 411.506 3.627 20 5 HHBDHN CCN1CCN(c2ccc(NC(=O)N[C@@H](C)c3cccc([N+](=O)[O-])c3)c(C)c2)CC1 ZINC000047373434 968163002 /nfs/dbraw/zinc/16/30/02/968163002.db2.gz POLBOQVUROLFPL-KRWDZBQOSA-N 0 3 411.506 3.928 20 5 HHBDHN CCC[C@H](N[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1)c1cccc([N+](=O)[O-])c1 ZINC000554091104 1013794246 /nfs/dbraw/zinc/79/42/46/1013794246.db2.gz BFLXHJDFGRORGQ-AEFFLSMTSA-N 0 3 423.560 3.940 20 5 HHBDHN CCN1CCN(c2ccc(NC(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)c(C)c2)CC1 ZINC000065717148 968611368 /nfs/dbraw/zinc/61/13/68/968611368.db2.gz ZTAVDHDJDOSEAA-UHFFFAOYSA-N 0 3 421.501 3.639 20 5 HHBDHN COC1CCN(C(C)(C)CNC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)CC1 ZINC000538273325 1013812664 /nfs/dbraw/zinc/81/26/64/1013812664.db2.gz GHHDTEVMWCJQID-UHFFFAOYSA-N 0 3 409.552 3.715 20 5 HHBDHN CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000065938425 968727977 /nfs/dbraw/zinc/72/79/77/968727977.db2.gz WGMMEICVZKZQCG-UHFFFAOYSA-N 0 3 402.401 3.558 20 5 HHBDHN CCOc1cc(CN2CC[C@@H]2C(C)C)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000538304427 1013837691 /nfs/dbraw/zinc/83/76/91/1013837691.db2.gz GVTALXMGWWHZRQ-GOSISDBHSA-N 0 3 402.495 3.808 20 5 HHBDHN CN(C)C[C@H](NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc(F)cc1 ZINC000554408645 1013937076 /nfs/dbraw/zinc/93/70/76/1013937076.db2.gz GPMUPNKRCJAQFQ-HNNXBMFYSA-N 0 3 412.368 3.760 20 5 HHBDHN CCO[C@H]1C[C@@H](NCc2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])C12CCC2 ZINC000236974745 970197931 /nfs/dbraw/zinc/19/79/31/970197931.db2.gz IHXJUHMJLFGRHD-SJORKVTESA-N 0 3 418.412 3.982 20 5 HHBDHN COc1cc(CN[C@@H]2C[C@@](C)(OC)C2(C)C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000237199377 970240408 /nfs/dbraw/zinc/24/04/08/970240408.db2.gz KXBXDEUTHFKUKH-NVXWUHKLSA-N 0 3 406.401 3.838 20 5 HHBDHN COc1cc(CNCCc2ccccc2OC(F)(F)F)c([N+](=O)[O-])cc1OC ZINC000237202616 970240557 /nfs/dbraw/zinc/24/05/57/970240557.db2.gz PXJYSUNXCXTAKQ-UHFFFAOYSA-N 0 3 400.353 3.843 20 5 HHBDHN C[C@H]1[C@@H](NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC000554642292 1013997843 /nfs/dbraw/zinc/99/78/43/1013997843.db2.gz ZRFNLKLZBQGJCZ-BBRMVZONSA-N 0 3 405.401 3.589 20 5 HHBDHN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCN([C@H](C)c3ccccc3)C2)cc1OC ZINC000250382194 970534802 /nfs/dbraw/zinc/53/48/02/970534802.db2.gz IJHALIPRQWCACJ-WBVHZDCISA-N 0 3 413.474 3.567 20 5 HHBDHN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000554729045 1014033189 /nfs/dbraw/zinc/03/31/89/1014033189.db2.gz BVXABFPUMPALQC-HNNXBMFYSA-N 0 3 403.429 3.539 20 5 HHBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])NCc1cc(C)nc(N2CCCC2)n1 ZINC000426320733 974395117 /nfs/dbraw/zinc/39/51/17/974395117.db2.gz YZGGNKQEXXLOBU-INIZCTEOSA-N 0 3 401.536 3.954 20 5 HHBDHN C[C@@H]1CN(CCC2CCN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)CC2)C[C@H](C)O1 ZINC000427290242 975028252 /nfs/dbraw/zinc/02/82/52/975028252.db2.gz YXMMIJAVHCERRF-GASCZTMLSA-N 0 3 409.914 3.600 20 5 HHBDHN O=[N+]([O-])c1ccc(NC[C@@H]2CN(Cc3ccccc3)CCCO2)c(OC(F)F)c1 ZINC000428668166 975963866 /nfs/dbraw/zinc/96/38/66/975963866.db2.gz YNFSQFDMJJSPDZ-QGZVFWFLSA-N 0 3 407.417 3.899 20 5 HHBDHN C[C@@H](N[C@H]1Cc2cccc(O)c2C1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000429311205 976582832 /nfs/dbraw/zinc/58/28/32/976582832.db2.gz YJJGTPGTWABZSE-DOMZBBRYSA-N 0 3 424.482 3.508 20 5 HHBDHN CN1CCC(N(Cc2ccco2)C(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000429936101 977211083 /nfs/dbraw/zinc/21/10/83/977211083.db2.gz LCJNFGDPFVTEKI-UHFFFAOYSA-N 0 3 422.279 3.687 20 5 HHBDHN CN(C)CCN(Cc1ccccc1F)C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000430944191 977905075 /nfs/dbraw/zinc/90/50/75/977905075.db2.gz KYFDYRSQFUJDQZ-UHFFFAOYSA-N 0 3 424.270 3.700 20 5 HHBDHN O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000431173201 978073196 /nfs/dbraw/zinc/07/31/96/978073196.db2.gz OWTDEFKIKZCJIF-SFHVURJKSA-N 0 3 418.291 3.924 20 5 HHBDHN O=C(NCCCN1CCc2ccccc2C1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431509708 978338996 /nfs/dbraw/zinc/33/89/96/978338996.db2.gz WKNMJBYXSXECSK-UHFFFAOYSA-N 0 3 418.291 3.536 20 5 HHBDHN C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000436125809 981210586 /nfs/dbraw/zinc/21/05/86/981210586.db2.gz DDAJPPFCSABVRB-BZUAXINKSA-N 0 3 409.505 3.917 20 5 HHBDHN C[C@H](O)CN(CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)C1CCCCC1 ZINC000436227827 981259471 /nfs/dbraw/zinc/25/94/71/981259471.db2.gz NHPQVQKQAVXPIW-AWEZNQCLSA-N 0 3 418.519 3.672 20 5 HHBDHN Cc1ncsc1CN(C)C[C@H]1CCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000436346004 981314932 /nfs/dbraw/zinc/31/49/32/981314932.db2.gz ROCRTGQTGHIANM-GFCCVEGCSA-N 0 3 415.441 3.732 20 5 HHBDHN C[C@H]1CN(CCC2CCN(c3cc(C(F)(F)F)ncc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000436403568 981350363 /nfs/dbraw/zinc/35/03/63/981350363.db2.gz JAYBDKSFBFAPNH-KBPBESRZSA-N 0 3 416.444 3.724 20 5 HHBDHN CN(C)CCN(Cc1cccs1)C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437034251 981704943 /nfs/dbraw/zinc/70/49/43/981704943.db2.gz UMPPSNJSELVEIA-UHFFFAOYSA-N 0 3 401.410 3.879 20 5 HHBDHN CO[C@H](C)c1nc(CN2CCCN(CCc3ccc([N+](=O)[O-])cc3)CC2)cs1 ZINC000437533215 982160548 /nfs/dbraw/zinc/16/05/48/982160548.db2.gz BRMAIVWRAFPWDV-MRXNPFEDSA-N 0 3 404.536 3.509 20 5 HHBDHN O=C(NCCc1ccccc1[N+](=O)[O-])[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000460511785 982300024 /nfs/dbraw/zinc/30/00/24/982300024.db2.gz YHNLTZZHAAMJGO-HXUWFJFHSA-N 0 3 421.419 3.708 20 5 HHBDHN O=C(NC[C@@H]1CCCN1Cc1ccccc1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437949701 982481492 /nfs/dbraw/zinc/48/14/92/982481492.db2.gz DIZOMIKQRFGDQO-NRFANRHFSA-N 0 3 408.502 3.933 20 5 HHBDHN COc1cc(CNC[C@H]2Cc3ccccc3N(C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000438345634 982735780 /nfs/dbraw/zinc/73/57/80/982735780.db2.gz IYJXXQVXGOGYJP-CQSZACIVSA-N 0 3 421.444 3.646 20 5 HHBDHN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(CCN(C)C)Cc1cccs1 ZINC000438539937 982877571 /nfs/dbraw/zinc/87/75/71/982877571.db2.gz YYFDBZHWTKEDCY-ZDUSSCGKSA-N 0 3 411.911 3.667 20 5 HHBDHN CC(C)C1CCC(N2CCN([C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)CC2)CC1 ZINC000438555977 982897589 /nfs/dbraw/zinc/89/75/89/982897589.db2.gz ULQIUQFCKBFFMU-AJTFCVKESA-N 0 3 414.550 3.533 20 5 HHBDHN CC(C)C1CCC(N2CCN([C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000438560123 982901961 /nfs/dbraw/zinc/90/19/61/982901961.db2.gz DLHBHBXNKGCANP-VIQWUECVSA-N 0 3 402.539 3.754 20 5 HHBDHN CCN(C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000438654451 982971550 /nfs/dbraw/zinc/97/15/50/982971550.db2.gz GJCDTXCYLZVKHE-MJGOQNOKSA-N 0 3 424.501 3.526 20 5 HHBDHN C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCCN2Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000439012181 983209804 /nfs/dbraw/zinc/20/98/04/983209804.db2.gz SZQSVPSWDQYAQC-AXUOBQJMSA-N 0 3 400.479 3.796 20 5 HHBDHN Cc1csc(Sc2ccc(C(=O)N[C@@H]3C[C@H](C)N(C4CC4)C3)cc2[N+](=O)[O-])n1 ZINC000440912689 983968893 /nfs/dbraw/zinc/96/88/93/983968893.db2.gz JIHWBBCGEKBDCU-GXTWGEPZSA-N 0 3 418.544 3.866 20 5 HHBDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000462175462 985154537 /nfs/dbraw/zinc/15/45/37/985154537.db2.gz JWKGGXHFPQGHOR-DYVFJYSZSA-N 0 3 407.392 3.864 20 5 HHBDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000463271678 986238445 /nfs/dbraw/zinc/23/84/45/986238445.db2.gz HIXKGIAEKKQCSE-VGOFRKELSA-N 0 3 408.502 3.789 20 5 HHBDHN C[C@H]1C[C@@H](CCNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CN1Cc1ccccc1 ZINC000468715078 986429758 /nfs/dbraw/zinc/42/97/58/986429758.db2.gz NAIIKFCOHSTRLS-FUHWJXTLSA-N 0 3 417.531 3.711 20 5 HHBDHN CC1(C)C[C@H](NCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C(C)(C)O1 ZINC000444637387 986823359 /nfs/dbraw/zinc/82/33/59/986823359.db2.gz PKZGXXIPYHSXMT-HNNXBMFYSA-N 0 3 404.492 3.593 20 5 HHBDHN C[C@H](NC[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccc(Br)s1 ZINC000444767940 986928229 /nfs/dbraw/zinc/92/82/29/986928229.db2.gz SAFUHLKDBXWANQ-QWRGUYRKSA-N 0 3 401.282 3.509 20 5 HHBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000444901730 987050729 /nfs/dbraw/zinc/05/07/29/987050729.db2.gz KTAVIMXCELMSNN-UHFFFAOYSA-N 0 3 412.490 3.776 20 5 HHBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@H](c2c(F)cccc2F)C1 ZINC000469455220 987141272 /nfs/dbraw/zinc/14/12/72/987141272.db2.gz SKDXZCZIJXKCKK-ZDUSSCGKSA-N 0 3 405.401 3.700 20 5 HHBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000469562120 987231961 /nfs/dbraw/zinc/23/19/61/987231961.db2.gz MNLCACLBQFHTDJ-QGZVFWFLSA-N 0 3 410.396 3.688 20 5 HHBDHN CC(C)c1ccc(C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)cc1[N+](=O)[O-] ZINC000469838748 987474175 /nfs/dbraw/zinc/47/41/75/987474175.db2.gz PIENPRBFQUEPKJ-FQEVSTJZSA-N 0 3 411.502 3.739 20 5 HHBDHN C[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br)N(C)Cc1ccccc1 ZINC000445778479 987841186 /nfs/dbraw/zinc/84/11/86/987841186.db2.gz YFAJHRDYIBVJTP-CQSZACIVSA-N 0 3 420.307 3.537 20 5 HHBDHN COC(=O)[C@H]1CCN(Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000470154004 988064349 /nfs/dbraw/zinc/06/43/49/988064349.db2.gz BTIMOAVTHLDDIY-KKSFZXQISA-N 0 3 420.469 3.831 20 5 HHBDHN CN(C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000470657319 988674159 /nfs/dbraw/zinc/67/41/59/988674159.db2.gz RPGIITPKQAFQGL-NRFANRHFSA-N 0 3 422.529 3.932 20 5 HHBDHN Cc1ccc(C)c(OC[C@@H](O)CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1C ZINC000464783558 989011894 /nfs/dbraw/zinc/01/18/94/989011894.db2.gz MFSFRVBSAQABDV-FQEVSTJZSA-N 0 3 414.502 3.803 20 5 HHBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000470990518 989054390 /nfs/dbraw/zinc/05/43/90/989054390.db2.gz DOUPZOIBRUJTOX-LIRRHRJNSA-N 0 3 403.504 3.868 20 5 HHBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000471125191 989232119 /nfs/dbraw/zinc/23/21/19/989232119.db2.gz QLVIUWDKYCMREB-UHFFFAOYSA-N 0 3 400.401 3.830 20 5 HHBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCCC[C@H]1CNC(=O)c1ccccc1 ZINC000472285134 993302629 /nfs/dbraw/zinc/30/26/29/993302629.db2.gz WTJHOAQVVCRAEH-FQEVSTJZSA-N 0 3 424.501 3.516 20 5 HHBDHN CN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000472478629 993481040 /nfs/dbraw/zinc/48/10/40/993481040.db2.gz UEDUUFIVWJBWBD-FQEVSTJZSA-N 0 3 407.474 3.741 20 5 HHBDHN C[C@@H](C(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000473530286 994387737 /nfs/dbraw/zinc/38/77/37/994387737.db2.gz YWVRIZJCHBRFSC-NUYPLMSZSA-N 0 3 417.403 3.759 20 5 HHBDHN O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC000473560911 994425492 /nfs/dbraw/zinc/42/54/92/994425492.db2.gz GCJBEZAYWSRJLB-OYRHEFFESA-N 0 3 423.516 3.885 20 5 HHBDHN COc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(C)cc(N3CCN(C(C)C)CC3)c2)c1 ZINC000481644574 994509674 /nfs/dbraw/zinc/50/96/74/994509674.db2.gz UIVGJDQGUSNLDQ-UHFFFAOYSA-N 0 3 412.490 3.695 20 5 HHBDHN COc1cc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CCCN3Cc3ccccc32)cc1SC ZINC000483041403 995936184 /nfs/dbraw/zinc/93/61/84/995936184.db2.gz OLOMCWVDKALFIZ-HNNXBMFYSA-N 0 3 413.499 3.950 20 5 HHBDHN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](SC)[C@@H](N2CCCC2)C1 ZINC000483398137 996150901 /nfs/dbraw/zinc/15/09/01/996150901.db2.gz TXBBITXINSBXHD-WMZOPIPTSA-N 0 3 409.577 3.749 20 5 HHBDHN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H](C)c1ccc(Br)cn1 ZINC000475511625 996191740 /nfs/dbraw/zinc/19/17/40/996191740.db2.gz VOIGZMXXTQDMEB-RYUDHWBXSA-N 0 3 407.268 3.820 20 5 HHBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000484355199 996724598 /nfs/dbraw/zinc/72/45/98/996724598.db2.gz WWEAUCHDPHFGEF-OAHLLOKOSA-N 0 3 403.401 3.842 20 5 HHBDHN Cc1csc(Sc2ccc(C(=O)N(CCN(C)C)C3CC3)cc2[N+](=O)[O-])n1 ZINC000476821925 997380623 /nfs/dbraw/zinc/38/06/23/997380623.db2.gz MDGJCTHBSJVBEM-UHFFFAOYSA-N 0 3 406.533 3.677 20 5 HHBDHN COCCN1CCC(NC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)CC1 ZINC000487209105 999097244 /nfs/dbraw/zinc/09/72/44/999097244.db2.gz JNBWSRVHDKCARG-UHFFFAOYSA-N 0 3 415.515 3.587 20 5 HHBDHN COc1cccc(CN(CCN(C)C)C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)c1 ZINC000478987270 999234972 /nfs/dbraw/zinc/23/49/72/999234972.db2.gz IOBDRJIAQPYKJO-UHFFFAOYSA-N 0 3 400.479 3.816 20 5 HHBDHN CC[C@H](NC(=O)N(CCN(C)C)Cc1cccc(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000479686828 999537224 /nfs/dbraw/zinc/53/72/24/999537224.db2.gz MCRGOWNIQNRBCV-NRFANRHFSA-N 0 3 414.506 3.828 20 5 HHBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000489952179 999868502 /nfs/dbraw/zinc/86/85/02/999868502.db2.gz HLPXXRGMXPALTN-IBGZPJMESA-N 0 3 415.490 3.813 20 5 HHBDHN CC(C)Oc1ccc([C@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)N(C)C)cc1 ZINC000489963109 999869787 /nfs/dbraw/zinc/86/97/87/999869787.db2.gz PSLSVJKQPFZISB-FQEVSTJZSA-N 0 3 419.909 3.997 20 5 HHBDHN CN1CCN(c2ccc(CN[C@@H](c3ccccc3)c3cccc([N+](=O)[O-])c3)cn2)CC1 ZINC000491302585 1000063124 /nfs/dbraw/zinc/06/31/24/1000063124.db2.gz CREXMXGPYMKWCG-DEOSSOPVSA-N 0 3 417.513 3.621 20 5 HHBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC(OCCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000492912922 1000149461 /nfs/dbraw/zinc/14/94/61/1000149461.db2.gz RCXCHHMSCGTOHH-CEXWTWQISA-N 0 3 405.539 3.554 20 5 HHBDHN Cc1ccc([C@H](C)NC(=O)N(CCN(C)C)Cc2ccccc2F)cc1[N+](=O)[O-] ZINC000493128993 1000158885 /nfs/dbraw/zinc/15/88/85/1000158885.db2.gz DUYGVJYPMGMNPU-INIZCTEOSA-N 0 3 402.470 3.877 20 5 HHBDHN Cc1ccc([C@@H](C)NC(=O)N(CCN(C)C)Cc2cccc(F)c2)cc1[N+](=O)[O-] ZINC000493236013 1000164275 /nfs/dbraw/zinc/16/42/75/1000164275.db2.gz ITRHYWTXPSZDGV-MRXNPFEDSA-N 0 3 402.470 3.877 20 5 HHBDHN C[C@H]1C[C@H](NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)CN1Cc1ccccc1 ZINC000495007852 1000775960 /nfs/dbraw/zinc/77/59/60/1000775960.db2.gz PUAPSEFMBYKQDK-PXNSSMCTSA-N 0 3 408.502 3.932 20 5 HHBDHN C[C@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1)[C@H](c1ccccc1)N(C)C ZINC000505573371 1000914421 /nfs/dbraw/zinc/91/44/21/1000914421.db2.gz AZYDATLKKNOWIG-YVEFUNNKSA-N 0 3 406.280 3.779 20 5 HHBDHN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)[C@H](c1ccccc1)N(C)C ZINC000505604007 1000929680 /nfs/dbraw/zinc/92/96/80/1000929680.db2.gz DQKRZKKRWAFSCO-YVEFUNNKSA-N 0 3 406.280 3.779 20 5 HHBDHN O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCCN(CCCc2ccccc2)CC1 ZINC000507113622 1001817360 /nfs/dbraw/zinc/81/73/60/1001817360.db2.gz RQBRVDHKKKVWHU-UHFFFAOYSA-N 0 3 422.529 3.950 20 5 HHBDHN COc1cc(NC2CCN(CCOc3ccc(F)cc3)CC2)c(F)cc1[N+](=O)[O-] ZINC000508282185 1002792511 /nfs/dbraw/zinc/79/25/11/1002792511.db2.gz ZJLFQHWMVVGWJP-UHFFFAOYSA-N 0 3 407.417 3.837 20 5 HHBDHN O=C(N1CCc2ccc([N+](=O)[O-])cc21)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000508797136 1003225860 /nfs/dbraw/zinc/22/58/60/1003225860.db2.gz TWLVGCMLNQIVTA-FQEVSTJZSA-N 0 3 419.403 3.939 20 5 HHBDHN COc1ccc(-c2ccc(CN3CCC(C(=O)N(C)C(C)C)CC3)o2)c([N+](=O)[O-])c1 ZINC000509525416 1003923276 /nfs/dbraw/zinc/92/32/76/1003923276.db2.gz KRGTWKZMWPNYIG-UHFFFAOYSA-N 0 3 415.490 3.942 20 5 HHBDHN C[C@H]1CN([C@H](CNCc2ccccc2[N+](=O)[O-])c2c(F)cccc2Cl)CCO1 ZINC000509610602 1003977704 /nfs/dbraw/zinc/97/77/04/1003977704.db2.gz WLDXDZQKSWQFEM-IFXJQAMLSA-N 0 3 407.873 3.939 20 5 HHBDHN CCN(CC)C(=O)C1CCN(Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)CC1 ZINC000512243251 1004146020 /nfs/dbraw/zinc/14/60/20/1004146020.db2.gz JTZMONWLUGZAFJ-UHFFFAOYSA-N 0 3 415.490 3.944 20 5 HHBDHN CCC[C@@H](C)NC(=O)[C@@H]1CCCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000512522494 1004358548 /nfs/dbraw/zinc/35/85/48/1004358548.db2.gz VFBUTXAWCSWYMU-SJLPKXTDSA-N 0 3 413.522 3.512 20 5 HHBDHN Cc1c(Br)cc(C(=O)N2C[C@H](N(C)C)Cc3ccccc32)cc1[N+](=O)[O-] ZINC000510533959 1004665851 /nfs/dbraw/zinc/66/58/51/1004665851.db2.gz PMXSXSKDXUMKAL-OAHLLOKOSA-N 0 3 418.291 3.799 20 5 HHBDHN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000513302482 1004903288 /nfs/dbraw/zinc/90/32/88/1004903288.db2.gz VXXHZHCWZNCCTB-YJBOKZPZSA-N 0 3 417.893 3.796 20 5 HHBDHN COc1ccccc1O[C@@H]1CCCN(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000513360350 1004925714 /nfs/dbraw/zinc/92/57/14/1004925714.db2.gz AEKSALQNFXZMRP-QGZVFWFLSA-N 0 3 413.474 3.784 20 5 HHBDHN Cc1csc(Sc2ccc(C(=O)N[C@H](C)C3=CCN(C)CC3)cc2[N+](=O)[O-])n1 ZINC000511343160 1005131644 /nfs/dbraw/zinc/13/16/44/1005131644.db2.gz KDNVSFGYMAZUCX-CYBMUJFWSA-N 0 3 418.544 3.891 20 5 HHBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000513954962 1005201048 /nfs/dbraw/zinc/20/10/48/1005201048.db2.gz QSSSYJZYBDYKDL-UHFFFAOYSA-N 0 3 412.490 3.776 20 5 HHBDHN CCN(CC)[C@@H](CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1cccc(OC)c1 ZINC000514511589 1006014522 /nfs/dbraw/zinc/01/45/22/1006014522.db2.gz INHAOQXTKOEHPG-IBGZPJMESA-N 0 3 416.478 3.817 20 5 HHBDHN Cc1c(NC(=O)[C@H](C)N[C@H]2CCN(C)[C@H]2c2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000515021057 1006255121 /nfs/dbraw/zinc/25/51/21/1006255121.db2.gz VNOOFLVRBQHQCJ-DCPHZVHLSA-N 0 3 416.909 3.919 20 5 HHBDHN O=C(NCC(F)(F)F)C1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000534342228 1006308730 /nfs/dbraw/zinc/30/87/30/1006308730.db2.gz YIWPAMDTKXWUKV-UHFFFAOYSA-N 0 3 411.380 3.745 20 5 HHBDHN CCNC(=O)N1CC[C@@H](NCc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000531863119 1006483784 /nfs/dbraw/zinc/48/37/84/1006483784.db2.gz BXCPKPPBRLCBGL-OAHLLOKOSA-N 0 3 418.881 3.934 20 5 HHBDHN Cc1ccc([C@H](CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)N2CCCC2)cc1 ZINC000534626746 1006608462 /nfs/dbraw/zinc/60/84/62/1006608462.db2.gz JEODSUKUSXUZGF-QFIPXVFZSA-N 0 3 406.486 3.880 20 5 HHBDHN CCN1CCCN([C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CC1 ZINC000532521134 1006958994 /nfs/dbraw/zinc/95/89/94/1006958994.db2.gz MXSJCTIMGAVEHV-HXUWFJFHSA-N 0 3 416.909 3.956 20 5 HHBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000535377474 1007441317 /nfs/dbraw/zinc/44/13/17/1007441317.db2.gz LNBNLCYYDJALQO-KRWDZBQOSA-N 0 3 417.849 3.700 20 5 HHBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000535377475 1007441442 /nfs/dbraw/zinc/44/14/42/1007441442.db2.gz LNBNLCYYDJALQO-QGZVFWFLSA-N 0 3 417.849 3.700 20 5 HHBDHN O=C1[C@@H](NCc2ccc(-c3ccccc3[N+](=O)[O-])s2)CCCN1CC(F)(F)F ZINC000533307449 1007624330 /nfs/dbraw/zinc/62/43/30/1007624330.db2.gz DVSMOTHBCIAVKC-AWEZNQCLSA-N 0 3 413.421 3.966 20 5 HHBDHN O=C1[C@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CCCN1CC(F)(F)F ZINC000533444309 1007760033 /nfs/dbraw/zinc/76/00/33/1007760033.db2.gz IXWZRGXOLPJHQC-OAHLLOKOSA-N 0 3 413.421 3.966 20 5 HHBDHN C[C@H]1COCCN1CCNCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000517547680 1007763463 /nfs/dbraw/zinc/76/34/63/1007763463.db2.gz IZDWBIIQOWGUNY-HNNXBMFYSA-N 0 3 405.882 3.851 20 5 HHBDHN CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000517599479 1007801744 /nfs/dbraw/zinc/80/17/44/1007801744.db2.gz BQAWYMHEHWORKZ-KRWDZBQOSA-N 0 3 402.882 3.770 20 5 HHBDHN CCN(CC)CCNC(=O)c1ccccc1C(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000517980095 1008084715 /nfs/dbraw/zinc/08/47/15/1008084715.db2.gz COIHPMCTGOKZOV-UHFFFAOYSA-N 0 3 415.515 3.619 20 5 HHBDHN CCN1CCN(Cc2ccc(NC(=O)c3c(C)cc(C)c([N+](=O)[O-])c3C)cc2)CC1 ZINC000539853858 1008141901 /nfs/dbraw/zinc/14/19/01/1008141901.db2.gz RWHNHRWGKUODQV-UHFFFAOYSA-N 0 3 410.518 3.910 20 5 HHBDHN CC[C@@H](NC[C@@H](O)COc1ccccc1Br)c1cccc([N+](=O)[O-])c1 ZINC000540160123 1008315777 /nfs/dbraw/zinc/31/57/77/1008315777.db2.gz JJXRUCFBLBBGPQ-NVXWUHKLSA-N 0 3 409.280 3.838 20 5 HHBDHN CC1CCN(c2ccc(C(=O)N3CC[C@H](N4CCCCC4)C3)cc2[N+](=O)[O-])CC1 ZINC000518616378 1008366783 /nfs/dbraw/zinc/36/67/83/1008366783.db2.gz RWXLUBQWIVVBFZ-IBGZPJMESA-N 0 3 400.523 3.532 20 5 HHBDHN C[C@@H]1CCCN(c2ccc(C(=O)N3CC[C@@H](N4CCCCC4)C3)cc2[N+](=O)[O-])C1 ZINC000518620656 1008368426 /nfs/dbraw/zinc/36/84/26/1008368426.db2.gz VVCSOWKXGWFGDC-IEBWSBKVSA-N 0 3 400.523 3.532 20 5 HHBDHN CS(=O)(=O)Nc1cccc(CNCc2ccc(-c3ccccc3[N+](=O)[O-])s2)c1 ZINC000518770892 1008416981 /nfs/dbraw/zinc/41/69/81/1008416981.db2.gz FQBABIALFFLAAF-UHFFFAOYSA-N 0 3 417.512 3.985 20 5 HHBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCNC1(c2ccc(F)cc2F)CCC1 ZINC000540459632 1008440529 /nfs/dbraw/zinc/44/05/29/1008440529.db2.gz VJLGLGSRKFCXTP-UHFFFAOYSA-N 0 3 403.385 3.840 20 5 HHBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(CCN3CCSCC3)cc2)c1 ZINC000549009546 1008582275 /nfs/dbraw/zinc/58/22/75/1008582275.db2.gz GZXGGOYQBILDEJ-UHFFFAOYSA-N 0 3 415.515 3.837 20 5 HHBDHN Cn1cc(CNCc2ccccc2Cn2ccnc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000549179594 1008752041 /nfs/dbraw/zinc/75/20/41/1008752041.db2.gz TZMRLHWKDQRBTO-UHFFFAOYSA-N 0 3 402.458 3.530 20 5 HHBDHN O=[N+]([O-])c1cccc(-c2noc(CN3CCN(c4ccnc5ccccc54)CC3)n2)c1 ZINC000519722763 1008977964 /nfs/dbraw/zinc/97/79/64/1008977964.db2.gz LGGINRQTBKUGFD-UHFFFAOYSA-N 0 3 416.441 3.515 20 5 HHBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN(CCCN1CCOCC1)Cc1ccncc1 ZINC000519725360 1008979065 /nfs/dbraw/zinc/97/90/65/1008979065.db2.gz PKYLFTRRKZJPSE-SILNSSARSA-N 0 3 410.518 3.618 20 5 HHBDHN COc1ccc(-c2ccc(CN3CCC(OC[C@H]4CCOC4)CC3)o2)c([N+](=O)[O-])c1 ZINC000543414471 1009006232 /nfs/dbraw/zinc/00/62/32/1009006232.db2.gz CXLHJEJINVZHGK-INIZCTEOSA-N 0 3 416.474 3.881 20 5 HHBDHN COc1cc(CNC[C@@H](C)c2nccs2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000543643655 1009247733 /nfs/dbraw/zinc/24/77/33/1009247733.db2.gz LZNUHYFAPDQFAZ-SNVBAGLBSA-N 0 3 405.398 3.894 20 5 HHBDHN CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000520105246 1009262357 /nfs/dbraw/zinc/26/23/57/1009262357.db2.gz NLJJLRXXHJFULA-UHFFFAOYSA-N 0 3 409.408 3.747 20 5 HHBDHN C[C@@H](Cn1cccn1)NCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000520208441 1009343816 /nfs/dbraw/zinc/34/38/16/1009343816.db2.gz XRWZQNJFZAZLIT-LBPRGKRZSA-N 0 3 405.252 3.992 20 5 HHBDHN COc1cc(CNC[C@@]2(O)CCCC2(C)C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000549861650 1009480865 /nfs/dbraw/zinc/48/08/65/1009480865.db2.gz XPGJCQZTODAPNF-KRWDZBQOSA-N 0 3 406.401 3.575 20 5 HHBDHN CC(C)[C@H](NCCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)c1nnc2ccccn21 ZINC000544433470 1010057652 /nfs/dbraw/zinc/05/76/52/1010057652.db2.gz KBERNCNWCKOCNH-FQEVSTJZSA-N 0 3 406.446 3.822 20 5 HHBDHN C[C@@H](c1ccncc1)N1CCC(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000547257173 1010204435 /nfs/dbraw/zinc/20/44/35/1010204435.db2.gz ODADLOGQGBYZRI-HNNXBMFYSA-N 0 3 414.481 3.748 20 5 HHBDHN CC(C)N1CCN(c2cccc(NC(=O)Nc3ccc([N+](=O)[O-])cc3F)c2)CC1 ZINC000544622013 1010246441 /nfs/dbraw/zinc/24/64/41/1010246441.db2.gz PUDINEHDRGRAME-UHFFFAOYSA-N 0 3 401.442 3.908 20 5 HHBDHN CCN(C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000544850427 1010435319 /nfs/dbraw/zinc/43/53/19/1010435319.db2.gz AYNAPEJHBJUHQP-NRFANRHFSA-N 0 3 419.485 3.517 20 5 HHBDHN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000521574961 1010474413 /nfs/dbraw/zinc/47/44/13/1010474413.db2.gz HZGKIXRLEPYAJQ-CQSZACIVSA-N 0 3 423.872 3.745 20 5 HHBDHN Cc1noc(C)c1CO[C@@H]1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000545170506 1010667287 /nfs/dbraw/zinc/66/72/87/1010667287.db2.gz JMKPPRRPYGLXRZ-GOSISDBHSA-N 0 3 412.446 3.688 20 5 HHBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](COc1ccccc1F)C(C)(C)C ZINC000540589230 1011244803 /nfs/dbraw/zinc/24/48/03/1011244803.db2.gz RIVRUXHOOGYTNN-LJQANCHMSA-N 0 3 419.453 3.764 20 5 HHBDHN CN1CC[C@@H](NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000536261302 1011426124 /nfs/dbraw/zinc/42/61/24/1011426124.db2.gz BHBRQCSZVWTBPQ-UZLBHIALSA-N 0 3 403.866 3.579 20 5 HHBDHN COc1ccc2c(c1)C[C@@H](C)N(CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)[C@H]2C ZINC000541059688 1011699823 /nfs/dbraw/zinc/69/98/23/1011699823.db2.gz NLJRPGNHELHLLH-CABCVRRESA-N 0 3 413.474 3.948 20 5 HHBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@H]1CCC[C@H]1Oc1cc(F)cc(F)c1 ZINC000552058189 1012075479 /nfs/dbraw/zinc/07/54/79/1012075479.db2.gz ZDWYJLFGCLYIHI-FUHWJXTLSA-N 0 3 405.401 3.710 20 5 HHBDHN O=C([C@H]1CN(Cc2ccccc2)CCC1(F)F)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000552325921 1012335552 /nfs/dbraw/zinc/33/55/52/1012335552.db2.gz DFVTVDPRXUDNAX-HXUWFJFHSA-N 0 3 415.440 3.637 20 5 HHBDHN O=C(CN[C@H](C[C@H]1CCOC1)c1ccccc1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000537132698 1012517919 /nfs/dbraw/zinc/51/79/19/1012517919.db2.gz MSYCMTSHEDJJGS-AUUYWEPGSA-N 0 3 403.866 3.944 20 5 HHBDHN C[C@@H]1C[C@@H]1[C@@H](NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc(Cl)cc1 ZINC000537222374 1012649886 /nfs/dbraw/zinc/64/98/86/1012649886.db2.gz XQUUXYSFZHHDMX-FYYVMTAXSA-N 0 3 417.849 3.902 20 5 HHBDHN Cc1ccc(CN(CCN(C)C)C(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])o1 ZINC000537246868 1012691323 /nfs/dbraw/zinc/69/13/23/1012691323.db2.gz SCYINSLYYCDQSG-UHFFFAOYSA-N 0 3 408.458 3.762 20 5 HHBDHN NC(=O)[C@@H](CNCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1ccccc1Cl ZINC000537432809 1012921132 /nfs/dbraw/zinc/92/11/32/1012921132.db2.gz CKGXJTMCNCZONY-MRXNPFEDSA-N 0 3 413.861 3.942 20 5 HHBDHN CN1C[C@H]2[C@@H](CCN2C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 ZINC000590442069 1073836231 /nfs/dbraw/zinc/83/62/31/1073836231.db2.gz GCQVZAZNXFEEHS-KSSFIOAISA-N 0 3 401.850 3.817 20 5 HHBDHN O=[N+]([O-])c1ccc2[nH]cc(CCNCc3cn(-c4ccc(F)c(Cl)c4)nn3)c2c1 ZINC000573358671 1074354955 /nfs/dbraw/zinc/35/49/55/1074354955.db2.gz NJMNOGCQBGOKIO-UHFFFAOYSA-N 0 3 414.828 3.782 20 5 HHBDHN CN1CC[C@@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1c1ccc(Cl)cc1 ZINC000573409545 1074401110 /nfs/dbraw/zinc/40/11/10/1074401110.db2.gz WAYWTTVSXZOYSO-MJGOQNOKSA-N 0 3 423.300 3.875 20 5 HHBDHN CN1CC[C@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1c1ccc(Cl)cc1 ZINC000573409538 1074401122 /nfs/dbraw/zinc/40/11/22/1074401122.db2.gz WAYWTTVSXZOYSO-HKUYNNGSSA-N 0 3 423.300 3.875 20 5 HHBDHN CC1CCN([C@@H](CNc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)c2cccs2)CC1 ZINC000301690276 971029787 /nfs/dbraw/zinc/02/97/87/971029787.db2.gz NJKLKWCRJLEOEN-KRWDZBQOSA-N 0 3 416.503 3.872 20 5 HHBDHN CC(C)CN(CCN(C)C)C(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000303175978 971543564 /nfs/dbraw/zinc/54/35/64/971543564.db2.gz CDVPNLVFXVHKJQ-QZTJIDSGSA-N 0 3 404.555 3.737 20 5 HHBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000303753038 972005478 /nfs/dbraw/zinc/00/54/78/972005478.db2.gz CHZJIRSJMIIAED-HKUYNNGSSA-N 0 3 417.531 3.577 20 5 HHBDHN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000303797636 972035125 /nfs/dbraw/zinc/03/51/25/972035125.db2.gz GFDOWDAHQXARLT-IBGZPJMESA-N 0 3 410.518 3.910 20 5 HHBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000303827745 972363683 /nfs/dbraw/zinc/36/36/83/972363683.db2.gz QHFBLGPEPNPXFS-IEBWSBKVSA-N 0 3 417.531 3.577 20 5 HHBDHN COc1ccc([C@H](CNC(=S)Nc2ccc([N+](=O)[O-])cc2)N2CCCC2)cc1 ZINC000016315668 963010986 /nfs/dbraw/zinc/01/09/86/963010986.db2.gz LIQLFIHUONOWDY-IBGZPJMESA-N 0 3 400.504 3.727 20 5 HHBDHN COc1cccc([C@H]2[C@H](Nc3ncnc4sc([N+](=O)[O-])cc43)CCN2C2CC2)c1 ZINC000553518849 1013417644 /nfs/dbraw/zinc/41/76/44/1013417644.db2.gz NQFZBYRXWUWDME-AEFFLSMTSA-N 0 3 411.487 3.998 20 5 HHBDHN CCc1ccc([C@@H](NC[C@H](C(C)C)N2CCN(C)CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000542481716 1013429837 /nfs/dbraw/zinc/42/98/37/1013429837.db2.gz APVWJVRRXQSELL-GGAORHGYSA-N 0 3 414.550 3.701 20 5 HHBDHN CCOc1cc(C(=O)NC[C@H](c2ccccc2)N2CCCC2)c([N+](=O)[O-])cc1OC ZINC000023740050 963883029 /nfs/dbraw/zinc/88/30/29/963883029.db2.gz CRCARHKRTIDSPH-LJQANCHMSA-N 0 3 413.474 3.569 20 5 HHBDHN COc1cc(CN(C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)ccc1OC(F)F ZINC000026225312 964492662 /nfs/dbraw/zinc/49/26/62/964492662.db2.gz NXDGYBWWLARJET-UHFFFAOYSA-N 0 3 409.389 3.665 20 5 HHBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(Cc1cccs1)C[C@@H]1CCCO1 ZINC000026260513 964508433 /nfs/dbraw/zinc/50/84/33/964508433.db2.gz JDHQJIGHUSTUNE-INIZCTEOSA-N 0 3 419.503 3.675 20 5 HHBDHN CCOc1cccc2cc([C@H](C)NC[C@@H](O)COc3cccc([N+](=O)[O-])c3)oc21 ZINC000542587905 1013528520 /nfs/dbraw/zinc/52/85/20/1013528520.db2.gz ZCGIQLOOCXTZAS-WMLDXEAASA-N 0 3 400.431 3.830 20 5 HHBDHN Cc1c([C@H](C)NCCNC(=O)c2cccc(Br)c2)cccc1[N+](=O)[O-] ZINC000537978776 1013554897 /nfs/dbraw/zinc/55/48/97/1013554897.db2.gz GSEVDOYPZJEZHC-ZDUSSCGKSA-N 0 3 406.280 3.746 20 5 HHBDHN COc1ccc(CN[C@@H](C)CC(=O)N(C)Cc2ccccc2Cl)cc1[N+](=O)[O-] ZINC000537991872 1013566987 /nfs/dbraw/zinc/56/69/87/1013566987.db2.gz TXXPSFREYPWHFG-AWEZNQCLSA-N 0 3 405.882 3.784 20 5 HHBDHN CN1CCN(CCCNc2ccc([N+](=O)[O-])c3cccnc23)[C@@H](c2ccccc2)C1 ZINC000029585703 965422408 /nfs/dbraw/zinc/42/24/08/965422408.db2.gz XULLZEPPRPEDIP-JOCHJYFZSA-N 0 3 405.502 3.934 20 5 HHBDHN CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)cc1OC ZINC000032217675 966202554 /nfs/dbraw/zinc/20/25/54/966202554.db2.gz KYUJRXHPIZVQJM-IBGZPJMESA-N 0 3 413.474 3.569 20 5 HHBDHN CCc1ccc([C@H](CNC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])N(C)C)cc1 ZINC000064418890 967179105 /nfs/dbraw/zinc/17/91/05/967179105.db2.gz PQVKEFIIHURGIW-LIRRHRJNSA-N 0 3 419.909 3.997 20 5 HHBDHN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000064721581 967275738 /nfs/dbraw/zinc/27/57/38/967275738.db2.gz AWQZVOSSTBGPGW-DNVCBOLYSA-N 0 3 417.893 3.969 20 5 HHBDHN CC1CCN(c2ccc(C(=O)NCCN(C)Cc3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000065418462 967459289 /nfs/dbraw/zinc/45/92/89/967459289.db2.gz WHBHSILTZGRMOH-UHFFFAOYSA-N 0 3 410.518 3.693 20 5 HHBDHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000065931809 968722911 /nfs/dbraw/zinc/72/29/11/968722911.db2.gz HGYKMAGXHOHOMY-UHFFFAOYSA-N 0 3 414.481 3.538 20 5 HHBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000065940156 968731749 /nfs/dbraw/zinc/73/17/49/968731749.db2.gz WMSVSLKJRVRGEZ-HNNXBMFYSA-N 0 3 405.495 3.805 20 5 HHBDHN CC1CCN([C@@H](CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)c2ccccc2)CC1 ZINC000072006979 968929859 /nfs/dbraw/zinc/92/98/59/968929859.db2.gz DQFPSGQGIXZUSG-FQEVSTJZSA-N 0 3 407.474 3.674 20 5 HHBDHN CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC/C=C\c2ccccc2[N+](=O)[O-])cc1 ZINC000538313939 1013844334 /nfs/dbraw/zinc/84/43/34/1013844334.db2.gz WHTJJKMETODPHO-SECOEOQKSA-N 0 3 417.531 3.989 20 5 HHBDHN Cc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)N(C)C)cc1 ZINC000109290318 969491698 /nfs/dbraw/zinc/49/16/98/969491698.db2.gz SLJRJEABJNOLOD-JOCHJYFZSA-N 0 3 410.518 3.926 20 5 HHBDHN Cc1ccc([C@@H](CNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)N2CCCC2)cc1 ZINC000109504098 969526265 /nfs/dbraw/zinc/52/62/65/969526265.db2.gz HCCSMPDPNWVGTI-JOCHJYFZSA-N 0 3 419.485 3.656 20 5 HHBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H](c1ccc(OC)cc1)N1CCCCC1 ZINC000195684235 969954390 /nfs/dbraw/zinc/95/43/90/969954390.db2.gz QVZRQAKQXSXECC-OAQYLSRUSA-N 0 3 412.490 3.602 20 5 HHBDHN CSc1ccc(C(=O)N(CCN(C)C)Cc2ccc(F)cc2F)cc1[N+](=O)[O-] ZINC000195724800 969983673 /nfs/dbraw/zinc/98/36/73/969983673.db2.gz VJXRLGQOYQJOKE-UHFFFAOYSA-N 0 3 409.458 3.799 20 5 HHBDHN COc1cc(CN[C@H]2C[C@@](C)(OC)C2(C)C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000237248378 970248796 /nfs/dbraw/zinc/24/87/96/970248796.db2.gz KXBXDEUTHFKUKH-DOTOQJQBSA-N 0 3 406.401 3.838 20 5 HHBDHN Cn1cc(CNCc2cc(Cl)c3c(c2)OCCO3)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237774341 970363764 /nfs/dbraw/zinc/36/37/64/970363764.db2.gz AATGLYQXAPPHBX-UHFFFAOYSA-N 0 3 414.849 3.710 20 5 HHBDHN Cn1cc(CNCc2cccc(Cn3cccn3)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237780083 970365102 /nfs/dbraw/zinc/36/51/02/970365102.db2.gz RDOZRYCUHMNHHN-UHFFFAOYSA-N 0 3 402.458 3.530 20 5 HHBDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000426209670 974314208 /nfs/dbraw/zinc/31/42/08/974314208.db2.gz UPLYCYKLNXLKRD-CQSZACIVSA-N 0 3 424.423 3.933 20 5 HHBDHN CN1CCCN(c2ccc(-c3noc(C(C)(C)c4ccccc4[N+](=O)[O-])n3)cn2)CC1 ZINC000426418400 974439613 /nfs/dbraw/zinc/43/96/13/974439613.db2.gz GSRDLCGETCMGMQ-UHFFFAOYSA-N 0 3 422.489 3.508 20 5 HHBDHN C[C@H](c1cccc(N2CCCS2(=O)=O)c1)N(C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000428475153 975773261 /nfs/dbraw/zinc/77/32/61/975773261.db2.gz BMFYASWTLJUVSO-XBMZPMPPSA-N 0 3 415.515 3.841 20 5 HHBDHN CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(CN2CC[C@@H](O)C2)c1 ZINC000428536564 975834981 /nfs/dbraw/zinc/83/49/81/975834981.db2.gz JQQVQFZPUHUTHM-GOSISDBHSA-N 0 3 415.515 3.916 20 5 HHBDHN COc1cc(CNC[C@]2(Cc3ccc(F)cc3)CCC[C@@H]2O)c([N+](=O)[O-])cc1OC ZINC000428568086 975879128 /nfs/dbraw/zinc/87/91/28/975879128.db2.gz CQJMXMRJFAELPD-FCHUYYIVSA-N 0 3 418.465 3.615 20 5 HHBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000429332410 976597435 /nfs/dbraw/zinc/59/74/35/976597435.db2.gz MDGSZKNPEFHKAE-SFHVURJKSA-N 0 3 417.893 3.578 20 5 HHBDHN Cc1noc(C[C@@H](N[C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)c2ccccc2)n1 ZINC000429472501 976738330 /nfs/dbraw/zinc/73/83/30/976738330.db2.gz PMIYNMDVWWGPPT-AUUYWEPGSA-N 0 3 409.446 3.577 20 5 HHBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000429605979 976888573 /nfs/dbraw/zinc/88/85/73/976888573.db2.gz AHQRWIOKMGNBSZ-LJQANCHMSA-N 0 3 412.490 3.624 20 5 HHBDHN CNC(=O)[C@@]1(C)CCN(Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000430766170 977742588 /nfs/dbraw/zinc/74/25/88/977742588.db2.gz UIJOOZCLDCXRCU-FQEVSTJZSA-N 0 3 403.866 3.999 20 5 HHBDHN C[C@@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])N(C)Cc1ccccc1 ZINC000430924582 977890853 /nfs/dbraw/zinc/89/08/53/977890853.db2.gz JLEPYZPPUWPYLL-ZDUSSCGKSA-N 0 3 406.280 3.608 20 5 HHBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000434033157 979772433 /nfs/dbraw/zinc/77/24/33/979772433.db2.gz VIKJPMUBYHILHZ-LFGUQSLTSA-N 0 3 414.550 3.776 20 5 HHBDHN CCCN(C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-])[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000434190880 979956435 /nfs/dbraw/zinc/95/64/35/979956435.db2.gz KNFFUAZZHVYOLL-GOSISDBHSA-N 0 3 413.522 3.958 20 5 HHBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCC(OCC2CCCC2)CC1 ZINC000434910262 980487065 /nfs/dbraw/zinc/48/70/65/980487065.db2.gz UNCGRGRVYAOUKK-UHFFFAOYSA-N 0 3 403.479 3.564 20 5 HHBDHN Cc1cc(NC(=O)c2csc([N+](=O)[O-])c2)n([C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000435290835 980762317 /nfs/dbraw/zinc/76/23/17/980762317.db2.gz LUMCQZDUVDKVOQ-KRWDZBQOSA-N 0 3 411.487 3.861 20 5 HHBDHN Cc1cc(NC(=O)c2csc([N+](=O)[O-])c2)n([C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000435290836 980762342 /nfs/dbraw/zinc/76/23/42/980762342.db2.gz LUMCQZDUVDKVOQ-QGZVFWFLSA-N 0 3 411.487 3.861 20 5 HHBDHN O=C(Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000435370076 980819778 /nfs/dbraw/zinc/81/97/78/980819778.db2.gz HOQRWVHRAXAWLZ-GOSISDBHSA-N 0 3 409.421 3.630 20 5 HHBDHN COc1cccc(C(=O)N(CCN2CCCC2)Cc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000435875520 981073031 /nfs/dbraw/zinc/07/30/31/981073031.db2.gz SFFNILVBUFRKOY-UHFFFAOYSA-N 0 3 417.893 3.995 20 5 HHBDHN CN(C)C[C@@H]1CCc2ccccc2N1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000436727315 981533882 /nfs/dbraw/zinc/53/38/82/981533882.db2.gz YRMLPLIRMQCRCT-IBGZPJMESA-N 0 3 408.502 3.718 20 5 HHBDHN Cc1ccc([C@H](CNC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)N2CCCC2)cc1 ZINC000460152189 981924873 /nfs/dbraw/zinc/92/48/73/981924873.db2.gz SHTXNEWLKTVPBL-NRFANRHFSA-N 0 3 424.501 3.644 20 5 HHBDHN C[C@H]1CCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC000437461466 982093651 /nfs/dbraw/zinc/09/36/51/982093651.db2.gz VAAMJLGNXGIINW-IBGZPJMESA-N 0 3 422.529 3.932 20 5 HHBDHN C[C@H]1CCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CCN1Cc1ccccc1 ZINC000437483131 982110536 /nfs/dbraw/zinc/11/05/36/982110536.db2.gz LDPCMXJHELLHMT-SFHVURJKSA-N 0 3 419.485 3.517 20 5 HHBDHN C[C@@H]1C[C@@H](NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CN1Cc1ccccc1 ZINC000437976351 982501958 /nfs/dbraw/zinc/50/19/58/982501958.db2.gz HSPYVUJOUNFONS-YLJYHZDGSA-N 0 3 408.502 3.932 20 5 HHBDHN CN(C)CCN(Cc1cccs1)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000438462264 982814645 /nfs/dbraw/zinc/81/46/45/982814645.db2.gz SOCLKRYOTOJJII-UHFFFAOYSA-N 0 3 416.528 3.984 20 5 HHBDHN CCN(C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000438657182 982975373 /nfs/dbraw/zinc/97/53/73/982975373.db2.gz UBDRPSAQHLGQQG-XLIONFOSSA-N 0 3 424.501 3.526 20 5 HHBDHN C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCCN2Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000439012184 983209533 /nfs/dbraw/zinc/20/95/33/983209533.db2.gz SZQSVPSWDQYAQC-OAOYMFHYSA-N 0 3 400.479 3.796 20 5 HHBDHN C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCCN2Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000439014667 983210934 /nfs/dbraw/zinc/21/09/34/983210934.db2.gz ITNVLQZZHAQONU-OAOYMFHYSA-N 0 3 400.479 3.796 20 5 HHBDHN C[C@H](NCc1ccccc1CN(C)Cc1ccco1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000439590103 983463320 /nfs/dbraw/zinc/46/33/20/983463320.db2.gz AASOBIUVPGIORP-KRWDZBQOSA-N 0 3 422.485 3.937 20 5 HHBDHN C[S@@](=O)C1(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CC1 ZINC000441385397 984223621 /nfs/dbraw/zinc/22/36/21/984223621.db2.gz VKWDIFGFDGWXDS-XMMPIXPASA-N 0 3 413.293 3.618 20 5 HHBDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000462182234 985162101 /nfs/dbraw/zinc/16/21/01/985162101.db2.gz SWWMLNADFINOFC-CXAGYDPISA-N 0 3 418.291 3.608 20 5 HHBDHN O=[N+]([O-])c1ccccc1CCS(=O)(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000444032870 986228790 /nfs/dbraw/zinc/22/87/90/986228790.db2.gz LEVAJBYXDYVSOO-UHFFFAOYSA-N 0 3 403.504 3.565 20 5 HHBDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000463271677 986238543 /nfs/dbraw/zinc/23/85/43/986238543.db2.gz HIXKGIAEKKQCSE-JTSKRJEESA-N 0 3 408.502 3.789 20 5 HHBDHN CN(CC[C@H]1CCCCN1C)C(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000444096450 986295050 /nfs/dbraw/zinc/29/50/50/986295050.db2.gz PAIWACATZVYGAF-MRXNPFEDSA-N 0 3 413.468 3.906 20 5 HHBDHN Cc1cccc2nc(C3CCN(C[C@@H](O)COc4cccc([N+](=O)[O-])c4)CC3)oc21 ZINC000444767738 986928114 /nfs/dbraw/zinc/92/81/14/986928114.db2.gz UKCIRXVMCGBJCX-GOSISDBHSA-N 0 3 411.458 3.664 20 5 HHBDHN COC(=O)[C@@H]1CCN(Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)[C@H]1C ZINC000470153350 988063330 /nfs/dbraw/zinc/06/33/30/988063330.db2.gz SDLYARNDJKSPGT-HNAYVOBHSA-N 0 3 414.458 3.566 20 5 HHBDHN CC(C)(C)OC(=O)[C@H]1CCCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000464587012 988766544 /nfs/dbraw/zinc/76/65/44/988766544.db2.gz LUSGWFMLKVPBHZ-INIZCTEOSA-N 0 3 401.463 3.846 20 5 HHBDHN O=[N+]([O-])c1ccc(OC2CCN(C[C@@H](O)COc3ccc(Cl)cc3)CC2)cc1 ZINC000464776186 989002135 /nfs/dbraw/zinc/00/21/35/989002135.db2.gz KQXIPCYMJOJUGN-QGZVFWFLSA-N 0 3 406.866 3.531 20 5 HHBDHN C[C@@H](NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])[C@@H](c1ccccc1)N(C)C ZINC000471528206 989728115 /nfs/dbraw/zinc/72/81/15/989728115.db2.gz LKONCYOPBGQQMU-VLIAUNLRSA-N 0 3 405.882 3.825 20 5 HHBDHN C[C@@H](NC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000471653122 989856582 /nfs/dbraw/zinc/85/65/82/989856582.db2.gz MPRJCRWCCPZXIG-OLJMKKDRSA-N 0 3 414.428 3.760 20 5 HHBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000472446247 993449447 /nfs/dbraw/zinc/44/94/47/993449447.db2.gz JAXZTZKRZXGOHY-UHFFFAOYSA-N 0 3 414.428 3.542 20 5 HHBDHN CSc1ccc([N+](=O)[O-])c(C(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)c1 ZINC000473514833 994367878 /nfs/dbraw/zinc/36/78/78/994367878.db2.gz UGTFNCVYPKEGJN-UHFFFAOYSA-N 0 3 417.453 3.852 20 5 HHBDHN CCN1CCN(c2cccc(NC(=O)N(Cc3ccccc3[N+](=O)[O-])C3CC3)c2)CC1 ZINC000473837614 994771577 /nfs/dbraw/zinc/77/15/77/994771577.db2.gz RHOOQZVJXXYJAT-UHFFFAOYSA-N 0 3 423.517 3.933 20 5 HHBDHN COC(=O)COc1ccc(CNCc2ccc3cc(OC)ccc3c2)cc1[N+](=O)[O-] ZINC000474366471 995346540 /nfs/dbraw/zinc/34/65/40/995346540.db2.gz FHJMPXPKLWVIFD-UHFFFAOYSA-N 0 3 410.426 3.598 20 5 HHBDHN CCOC(=O)C[C@H]1C[C@H](OC)CN1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000482495123 995505520 /nfs/dbraw/zinc/50/55/20/995505520.db2.gz HRVJTABNKIOTNY-CABCVRRESA-N 0 3 404.488 3.866 20 5 HHBDHN COc1ccc(CSCC(=O)Nc2cc(CN(C)C)ccc2C)cc1[N+](=O)[O-] ZINC000482585675 995588296 /nfs/dbraw/zinc/58/82/96/995588296.db2.gz KURITMVEUMUOSY-UHFFFAOYSA-N 0 3 403.504 3.845 20 5 HHBDHN CN(C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475113553 995930630 /nfs/dbraw/zinc/93/06/30/995930630.db2.gz UXMOBXPHLUQBJX-JOCHJYFZSA-N 0 3 410.518 3.833 20 5 HHBDHN CC(C)OCCN1CCC(NC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000475233023 996013987 /nfs/dbraw/zinc/01/39/87/996013987.db2.gz KWDWUYUETBCIMG-UHFFFAOYSA-N 0 3 418.416 3.625 20 5 HHBDHN O=[N+]([O-])c1cccc(OCCN[C@H](CO)c2ccc(Cl)cc2C(F)(F)F)c1 ZINC000483235105 996051968 /nfs/dbraw/zinc/05/19/68/996051968.db2.gz LEBHCDNZDAXNGC-MRXNPFEDSA-N 0 3 404.772 3.969 20 5 HHBDHN CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)C[C@@H]1N1CCCC1 ZINC000483407222 996158266 /nfs/dbraw/zinc/15/82/66/996158266.db2.gz RQQZYPSYGWJAOC-WMZOPIPTSA-N 0 3 409.577 3.747 20 5 HHBDHN O=[N+]([O-])c1ccc(-c2ccc(CNCCN3CC=CCC3)o2)c(Br)c1 ZINC000475516489 996195353 /nfs/dbraw/zinc/19/53/53/996195353.db2.gz LJCXTHJJNOMRNR-UHFFFAOYSA-N 0 3 406.280 3.969 20 5 HHBDHN COCCN1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000484920378 997295742 /nfs/dbraw/zinc/29/57/42/997295742.db2.gz XHEYCBPTDUCPEH-KRWDZBQOSA-N 0 3 415.515 3.587 20 5 HHBDHN O=C(CSc1ccccc1[N+](=O)[O-])NCC1(N2CCSCC2)CCCCC1 ZINC000484935757 997311433 /nfs/dbraw/zinc/31/14/33/997311433.db2.gz KZSHXQNFGMDHJU-UHFFFAOYSA-N 0 3 409.577 3.555 20 5 HHBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000477043923 997679161 /nfs/dbraw/zinc/67/91/61/997679161.db2.gz OBIDUZJQBHVPHL-HBIPHATFSA-N 0 3 403.504 3.662 20 5 HHBDHN O=C(NCCCN1CCc2ccccc2C1)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000485398869 997829027 /nfs/dbraw/zinc/82/90/27/997829027.db2.gz DKGUXWBKUKRGRA-UHFFFAOYSA-N 0 3 416.909 3.538 20 5 HHBDHN Cc1cc(N(C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000486003612 998447904 /nfs/dbraw/zinc/44/79/04/998447904.db2.gz KFMYYRLBUWTZRV-UGKGYDQZSA-N 0 3 418.501 3.884 20 5 HHBDHN O=[N+]([O-])c1ccc(CNC[C@H](CO)Cc2ccc(OC(F)(F)F)cc2)c(F)c1 ZINC000478272857 998856928 /nfs/dbraw/zinc/85/69/28/998856928.db2.gz LREWDOOWWSWXRF-CYBMUJFWSA-N 0 3 402.344 3.573 20 5 HHBDHN Cc1c(CN[C@H](C)CC(=O)Nc2ccc(NC(=O)C3CC3)cc2)cccc1[N+](=O)[O-] ZINC000478501260 998996749 /nfs/dbraw/zinc/99/67/49/998996749.db2.gz QAYUAKUECSOPJQ-CQSZACIVSA-N 0 3 410.474 3.759 20 5 HHBDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000487713654 999262101 /nfs/dbraw/zinc/26/21/01/999262101.db2.gz CNPJEBGWWBGTMU-HIFRSBDPSA-N 0 3 405.401 3.762 20 5 HHBDHN Cc1cccc(N2CCN(CCC(=O)N[C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)CC2)c1 ZINC000488110125 999379115 /nfs/dbraw/zinc/37/91/15/999379115.db2.gz POVJYZAHCTUSOJ-IBGZPJMESA-N 0 3 410.518 3.601 20 5 HHBDHN CC(C)(C)[C@@H](COc1ccccc1F)N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000489140520 999710364 /nfs/dbraw/zinc/71/03/64/999710364.db2.gz PXJWJZZTIYABAQ-AZUAARDMSA-N 0 3 415.465 3.923 20 5 HHBDHN Cc1ccc([C@@H](CNC(=O)N(C)CCc2ccccc2[N+](=O)[O-])N2CCCC2)cc1 ZINC000489206736 999722469 /nfs/dbraw/zinc/72/24/69/999722469.db2.gz PMZDUJGOXBRMJH-JOCHJYFZSA-N 0 3 410.518 3.924 20 5 HHBDHN O=C1CCc2cc([N+](=O)[O-])c(NC3CC(N4CCC(C(F)(F)F)CC4)C3)cc2N1 ZINC000480557058 999826093 /nfs/dbraw/zinc/82/60/93/999826093.db2.gz SCKAOVQOGBVFIG-UHFFFAOYSA-N 0 3 412.412 3.697 20 5 HHBDHN CCOC(=O)c1ccc(N2CCCN([C@@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)nc1 ZINC000489977072 999872032 /nfs/dbraw/zinc/87/20/32/999872032.db2.gz JDIRWAVXJKAGEV-KRWDZBQOSA-N 0 3 412.490 3.748 20 5 HHBDHN CN(C)[C@H](CNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccccc1 ZINC000492078477 1000108551 /nfs/dbraw/zinc/10/85/51/1000108551.db2.gz GGKKVWNRAOWTSS-QGZVFWFLSA-N 0 3 410.396 3.716 20 5 HHBDHN COc1cc(CNCCc2nc(C)c(C)s2)c([N+](=O)[O-])cc1OCC(F)F ZINC000493695281 1000185804 /nfs/dbraw/zinc/18/58/04/1000185804.db2.gz ZODSPIBGEOLNMQ-UHFFFAOYSA-N 0 3 401.435 3.653 20 5 HHBDHN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000494176134 1000343478 /nfs/dbraw/zinc/34/34/78/1000343478.db2.gz NLBVIEWOZQRHJF-QGZVFWFLSA-N 0 3 422.407 3.687 20 5 HHBDHN COc1cc([N+](=O)[O-])c(C(=O)N(CCN(C)C)Cc2cccc(F)c2)cc1SC ZINC000497879147 1001547518 /nfs/dbraw/zinc/54/75/18/1001547518.db2.gz AJKRELMOXDKGGO-UHFFFAOYSA-N 0 3 421.494 3.668 20 5 HHBDHN O=C(Nc1ccc(CCN2CCSCC2)cc1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000498187762 1001679789 /nfs/dbraw/zinc/67/97/89/1001679789.db2.gz LHKIDJOEYDJXSF-UHFFFAOYSA-N 0 3 422.510 3.987 20 5 HHBDHN COc1ccc(-c2ccc(CN3CCC[C@H](C(=O)NCC4CC4)C3)o2)c([N+](=O)[O-])c1 ZINC000507104435 1001811590 /nfs/dbraw/zinc/81/15/90/1001811590.db2.gz QWRVJIMGNIDGEZ-INIZCTEOSA-N 0 3 413.474 3.602 20 5 HHBDHN CN(C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCN(Cc2ccccc2)C1 ZINC000498466999 1001895455 /nfs/dbraw/zinc/89/54/55/1001895455.db2.gz QETHPUZEBBMBOJ-LJQANCHMSA-N 0 3 416.909 3.707 20 5 HHBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCc1cc(Cl)c2c(c1)OCCCO2 ZINC000508337283 1002840834 /nfs/dbraw/zinc/84/08/34/1002840834.db2.gz DUGHMDMBGKNBRT-CYBMUJFWSA-N 0 3 419.865 3.916 20 5 HHBDHN COc1c(C)cnc(CN2CCC(N(C)Cc3csc([N+](=O)[O-])c3)CC2)c1C ZINC000509037598 1003507506 /nfs/dbraw/zinc/50/75/06/1003507506.db2.gz JMRMJGHFRORNHF-UHFFFAOYSA-N 0 3 404.536 3.773 20 5 HHBDHN O=C(COc1ccccc1)N1CC[C@H](NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000509426034 1003852289 /nfs/dbraw/zinc/85/22/89/1003852289.db2.gz PBUKLRKFVISBGB-SFHVURJKSA-N 0 3 421.453 3.624 20 5 HHBDHN CC[C@H](C)N[C@@H](CNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ccco1 ZINC000501215435 1004285810 /nfs/dbraw/zinc/28/58/10/1004285810.db2.gz YZLMHLUJRIPBPX-BBRMVZONSA-N 0 3 408.886 3.812 20 5 HHBDHN COc1cc(CN2CCCCC[C@@H]2C[C@H](C)O)c([N+](=O)[O-])cc1OCC(F)F ZINC000512485874 1004336872 /nfs/dbraw/zinc/33/68/72/1004336872.db2.gz JGNSPPAZUMQLFB-DZGCQCFKSA-N 0 3 402.438 3.763 20 5 HHBDHN COc1ccc(-c2ccc(CN[C@@H]3CCC(=O)N[C@H]3C(C)(C)C)o2)c([N+](=O)[O-])c1 ZINC000513065588 1004787576 /nfs/dbraw/zinc/78/75/76/1004787576.db2.gz WUTDSOCFIXLVKP-OXQOHEQNSA-N 0 3 401.463 3.646 20 5 HHBDHN CC1(C)C[C@@H](N[C@@H]2CCN(C(=O)COc3ccccc3)C2)c2cc([N+](=O)[O-])ccc21 ZINC000511055105 1004999158 /nfs/dbraw/zinc/99/91/58/1004999158.db2.gz VHPUAYOIMHQQFC-IIBYNOLFSA-N 0 3 409.486 3.587 20 5 HHBDHN CC1(C)C[C@H](N[C@@H]2CCN(C(=O)COc3ccccc3)C2)c2cc([N+](=O)[O-])ccc21 ZINC000511055104 1004999312 /nfs/dbraw/zinc/99/93/12/1004999312.db2.gz VHPUAYOIMHQQFC-IERDGZPVSA-N 0 3 409.486 3.587 20 5 HHBDHN O=C(NC[C@@H]1CCCN1Cc1ccccc1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000514186917 1005303271 /nfs/dbraw/zinc/30/32/71/1005303271.db2.gz UCKKQEDPAMALHE-INIZCTEOSA-N 0 3 405.401 3.591 20 5 HHBDHN CC(C)N1CCN(c2cccc(NC(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)c2)CC1 ZINC000504198914 1005571926 /nfs/dbraw/zinc/57/19/26/1005571926.db2.gz GAETUCFHBGBYGI-UHFFFAOYSA-N 0 3 407.474 3.859 20 5 HHBDHN CC(C)N1CCN(c2cccc(NC(=O)Cc3ccc([N+](=O)[O-])cc3Cl)c2)CC1 ZINC000504206892 1005573073 /nfs/dbraw/zinc/57/30/73/1005573073.db2.gz BVEHUCBSKXMYFM-UHFFFAOYSA-N 0 3 416.909 3.960 20 5 HHBDHN O=C(NCC(F)(F)F)C1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000534337492 1006306511 /nfs/dbraw/zinc/30/65/11/1006306511.db2.gz WWJYCAMSBCQGJF-UHFFFAOYSA-N 0 3 411.380 3.745 20 5 HHBDHN C[C@H](CC[S@@](C)=O)NCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000532120903 1006652840 /nfs/dbraw/zinc/65/28/40/1006652840.db2.gz WZLHNCNZDULBFH-YDGUKXNOSA-N 0 3 415.309 3.864 20 5 HHBDHN O=C(C1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1)N(Cc1ccccc1)C1CC1 ZINC000532731404 1007141543 /nfs/dbraw/zinc/14/15/43/1007141543.db2.gz QIZVXJGOSYETOI-UHFFFAOYSA-N 0 3 423.513 3.877 20 5 HHBDHN CCN(CC)[C@@H](CNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)c1ccsc1 ZINC000535251995 1007303408 /nfs/dbraw/zinc/30/34/08/1007303408.db2.gz MMLCVDKIZJUXTE-IBGZPJMESA-N 0 3 402.520 3.807 20 5 HHBDHN CN1CC[C@@H](NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)[C@@H]1c1ccccc1 ZINC000535394603 1007460746 /nfs/dbraw/zinc/46/07/46/1007460746.db2.gz JOYPZNIFWANMLY-YADHBBJMSA-N 0 3 424.501 3.593 20 5 HHBDHN COc1ccc(C[C@@H](C)CN(C)[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000535628378 1007630799 /nfs/dbraw/zinc/63/07/99/1007630799.db2.gz PGFJSKHFHVBYMN-CVEARBPZSA-N 0 3 415.490 3.750 20 5 HHBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3ccc(OCc4ccccn4)cc3)C2)nc1 ZINC000533378723 1007690846 /nfs/dbraw/zinc/69/08/46/1007690846.db2.gz OZXRGLZFJYDZNC-SFHVURJKSA-N 0 3 405.458 3.650 20 5 HHBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000533426348 1007735714 /nfs/dbraw/zinc/73/57/14/1007735714.db2.gz ACWCIMHNHOIFJJ-QGZVFWFLSA-N 0 3 413.449 3.966 20 5 HHBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000539448857 1007760795 /nfs/dbraw/zinc/76/07/95/1007760795.db2.gz IWTLXYZFSQSEAW-HNNXBMFYSA-N 0 3 403.504 3.697 20 5 HHBDHN Cc1cc(N2CCN(CCCOCC(F)(F)F)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000539549525 1007861646 /nfs/dbraw/zinc/86/16/46/1007861646.db2.gz BVWWGWWRIXLYKD-UHFFFAOYSA-N 0 3 412.412 3.542 20 5 HHBDHN COc1ccc([C@@H](CN2CCCC2)NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000536093904 1008116189 /nfs/dbraw/zinc/11/61/89/1008116189.db2.gz CSIXSNIPCCINGH-LJQANCHMSA-N 0 3 403.866 3.824 20 5 HHBDHN CN(C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000533926533 1008210125 /nfs/dbraw/zinc/21/01/25/1008210125.db2.gz JLPMFCNQIAQDGY-HXUWFJFHSA-N 0 3 406.486 3.742 20 5 HHBDHN CCc1ccc([C@@H](CNC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])N(C)C)cc1 ZINC000519054633 1008512814 /nfs/dbraw/zinc/51/28/14/1008512814.db2.gz PQVKEFIIHURGIW-IFXJQAMLSA-N 0 3 419.909 3.997 20 5 HHBDHN CCN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000545517700 1008619381 /nfs/dbraw/zinc/61/93/81/1008619381.db2.gz ZKJHXQQADUVNFJ-HXUWFJFHSA-N 0 3 407.474 3.741 20 5 HHBDHN CC(C)N1CC[C@H](NCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]1c1ccc(F)c(F)c1 ZINC000549118639 1008686115 /nfs/dbraw/zinc/68/61/15/1008686115.db2.gz WJMDGKOXPVITRV-GHTZIAJQSA-N 0 3 418.444 3.625 20 5 HHBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCN(C)[C@@H]2c2cccs2)c1 ZINC000549301209 1008875939 /nfs/dbraw/zinc/87/59/39/1008875939.db2.gz UDBVFJQVHJZBMX-KUHUBIRLSA-N 0 3 403.504 3.868 20 5 HHBDHN CC(=O)NCCN(Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C1CCSCC1 ZINC000549452511 1009042906 /nfs/dbraw/zinc/04/29/06/1009042906.db2.gz SKHSVSOMGRLIBC-UHFFFAOYSA-N 0 3 403.504 3.689 20 5 HHBDHN COC(=O)C[C@H](N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CCCCC1 ZINC000543460555 1009047453 /nfs/dbraw/zinc/04/74/53/1009047453.db2.gz OLELTNOQALACGS-PXAZEXFGSA-N 0 3 411.886 3.677 20 5 HHBDHN Cc1cc(NC(=O)NCCCCN2CCN(c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000546036635 1009060532 /nfs/dbraw/zinc/06/05/32/1009060532.db2.gz UIZAWAZXWGSUMD-UHFFFAOYSA-N 0 3 411.506 3.627 20 5 HHBDHN COc1cccc([C@@H]2[C@@H](NCc3cc(OC)c(F)cc3[N+](=O)[O-])CCN2C2CC2)c1 ZINC000549471428 1009066824 /nfs/dbraw/zinc/06/68/24/1009066824.db2.gz JDOJNEYHTHOEPB-SIKLNZKXSA-N 0 3 415.465 3.819 20 5 HHBDHN COc1ccc(CNC(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)cc1[N+](=O)[O-] ZINC000519934122 1009088796 /nfs/dbraw/zinc/08/87/96/1009088796.db2.gz PVVDFKZOFZPWAC-HXUWFJFHSA-N 0 3 412.490 3.548 20 5 HHBDHN C[C@@H](NCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1nc(C(C)(C)C)cs1 ZINC000543513774 1009103257 /nfs/dbraw/zinc/10/32/57/1009103257.db2.gz GTZCVKZJIXFRGY-GFCCVEGCSA-N 0 3 404.492 3.998 20 5 HHBDHN CN(C)CCN(Cc1ccc(Br)cc1)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000520105734 1009262306 /nfs/dbraw/zinc/26/23/06/1009262306.db2.gz BVZILTQCIZJMCS-UHFFFAOYSA-N 0 3 424.270 3.700 20 5 HHBDHN CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000520233782 1009355364 /nfs/dbraw/zinc/35/53/64/1009355364.db2.gz NHJHQMAXJREYLL-UHFFFAOYSA-N 0 3 413.371 3.957 20 5 HHBDHN CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000520267973 1009385292 /nfs/dbraw/zinc/38/52/92/1009385292.db2.gz NKLXVCFEODOUOD-IBGZPJMESA-N 0 3 408.458 3.863 20 5 HHBDHN CN1CCCN(c2ccc(-c3noc(C(C)(C)c4ccc([N+](=O)[O-])cc4)n3)cn2)CC1 ZINC000547072881 1010027047 /nfs/dbraw/zinc/02/70/47/1010027047.db2.gz TVLUFNSMEGGDQX-UHFFFAOYSA-N 0 3 422.489 3.508 20 5 HHBDHN Cc1c(Cl)cccc1N1CCCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000551443420 1010589388 /nfs/dbraw/zinc/58/93/88/1010589388.db2.gz ABADJZLKAOVVNR-QGZVFWFLSA-N 0 3 419.909 3.509 20 5 HHBDHN COc1cc(CNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c2ccccc2n1 ZINC000540616710 1011269434 /nfs/dbraw/zinc/26/94/34/1011269434.db2.gz OIUKAJRMQJXCKC-UHFFFAOYSA-N 0 3 403.442 3.842 20 5 HHBDHN CN1CC[C@H](NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000536261295 1011426300 /nfs/dbraw/zinc/42/63/00/1011426300.db2.gz BHBRQCSZVWTBPQ-OXJNMPFZSA-N 0 3 403.866 3.579 20 5 HHBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3ccccc3)C[C@H]2CO)nc1-c1ccccc1 ZINC000536389429 1011597118 /nfs/dbraw/zinc/59/71/18/1011597118.db2.gz ABGDGOCTQOXWHL-LEWJYISDSA-N 0 3 418.497 3.952 20 5 HHBDHN COc1cc(CN[C@@H]2CCO[C@H](C(C)C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000536756401 1011947175 /nfs/dbraw/zinc/94/71/75/1011947175.db2.gz PKCWCJMXKUDLJH-HIFRSBDPSA-N 0 3 406.401 3.838 20 5 HHBDHN C[C@@H](N[C@@H]1CCN(c2cnn(C)c2)C1=O)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000536859973 1012094406 /nfs/dbraw/zinc/09/44/06/1012094406.db2.gz XTCQATCNOLPBCC-CZUORRHYSA-N 0 3 411.487 3.513 20 5 HHBDHN COc1ccc(OCCN[C@H](C)c2c(C)nn(CC(F)(F)F)c2C)c([N+](=O)[O-])c1 ZINC000541603791 1012402282 /nfs/dbraw/zinc/40/22/82/1012402282.db2.gz ZMIPIYAXAFGDSX-LLVKDONJSA-N 0 3 416.400 3.709 20 5 HHBDHN Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2NCCOc2ccc([N+](=O)[O-])cc2)cc1 ZINC000541743464 1012600378 /nfs/dbraw/zinc/60/03/78/1012600378.db2.gz JAVZMHNFNYPAEN-LEWJYISDSA-N 0 3 418.515 3.657 20 5 HHBDHN Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@H]2NCCOc2ccc([N+](=O)[O-])cc2)cc1 ZINC000541743470 1012600435 /nfs/dbraw/zinc/60/04/35/1012600435.db2.gz JAVZMHNFNYPAEN-RTWAWAEBSA-N 0 3 418.515 3.657 20 5 HHBDHN Cc1cc([N+](=O)[O-])ccc1CNCCC(=O)N(C)Cc1ccccc1Br ZINC000541755308 1012615778 /nfs/dbraw/zinc/61/57/78/1012615778.db2.gz MVMUVJVMCDLJMQ-UHFFFAOYSA-N 0 3 420.307 3.804 20 5 HHBDHN C[C@@H](C(=O)N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000541798030 1012674918 /nfs/dbraw/zinc/67/49/18/1012674918.db2.gz XPQMDOUHCVEODZ-IXDOHACOSA-N 0 3 421.513 3.575 20 5 HHBDHN COc1ccc([C@H](CNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)N2CCCCC2)cc1 ZINC000913088478 1072326953 /nfs/dbraw/zinc/32/69/53/1072326953.db2.gz UDXJOGDRPMRVAO-ZSXWFXDASA-N 0 3 409.486 3.960 20 5 HHBDHN CSc1ccc([C@H](CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)N(C)C)cc1 ZINC000567423276 1072888591 /nfs/dbraw/zinc/88/85/91/1072888591.db2.gz INWAJIMENBSTIE-FQEVSTJZSA-N 0 3 414.531 3.924 20 5 HHBDHN CSc1ccc([C@@H](CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)N(C)C)cc1 ZINC000567423277 1072889342 /nfs/dbraw/zinc/88/93/42/1072889342.db2.gz INWAJIMENBSTIE-HXUWFJFHSA-N 0 3 414.531 3.924 20 5 HHBDHN CN(C)C(=O)C[C@H](NCCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)c1ccccc1 ZINC000571987956 1072963996 /nfs/dbraw/zinc/96/39/96/1072963996.db2.gz VLTRJOFGCOVHTA-IBGZPJMESA-N 0 3 408.458 3.602 20 5 HHBDHN CN1C[C@H]2[C@@H](CCN2C(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000590445870 1073838677 /nfs/dbraw/zinc/83/86/77/1073838677.db2.gz SOEIKQVMCJUHDW-JXFKEZNVSA-N 0 3 414.893 3.636 20 5 HHBDHN Cc1ccc(-c2ccc(N3CC[C@@H]4[C@H]3CCN4Cc3cccnc3)nn2)cc1[N+](=O)[O-] ZINC001164735932 720415982 /nfs/dbraw/zinc/41/59/82/720415982.db2.gz ZPGMQCQVMMYJGF-NHCUHLMSSA-N 0 3 416.485 3.608 20 5 HHBDHN Cc1c(CO)cc([N+](=O)[O-])c(NC[C@@H]2CCCN(C)[C@H]2c2cccs2)c1[N+](=O)[O-] ZINC000301402444 970910440 /nfs/dbraw/zinc/91/04/40/970910440.db2.gz CYBCJLWKMGDZDS-ORAYPTAESA-N 0 3 420.491 3.860 20 5 HHBDHN CCCN(C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000303167103 971539162 /nfs/dbraw/zinc/53/91/62/971539162.db2.gz WEABHSUPMWGFKY-IBGZPJMESA-N 0 3 421.501 3.988 20 5 HHBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1 ZINC000303175518 971542943 /nfs/dbraw/zinc/54/29/43/971542943.db2.gz SJCDXHOLSLLJNE-UHFFFAOYSA-N 0 3 410.396 3.521 20 5 HHBDHN C[C@@H]1CN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CCN(C2CCC2)C1 ZINC000553526217 1013425349 /nfs/dbraw/zinc/42/53/49/1013425349.db2.gz UXXPCZXUNSWVNR-AWEZNQCLSA-N 0 3 400.504 3.665 20 5 HHBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN(Cc2cccc(Br)c2)C2CC2)c1 ZINC000026446956 964565618 /nfs/dbraw/zinc/56/56/18/964565618.db2.gz WKNSZVCPQJZXQZ-GOSISDBHSA-N 0 3 421.291 3.762 20 5 HHBDHN CC(C)CN(C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CCN(C)CC1 ZINC000051469442 964582787 /nfs/dbraw/zinc/58/27/87/964582787.db2.gz OGISKRJIRBSOHK-UHFFFAOYSA-N 0 3 402.520 3.911 20 5 HHBDHN CCN(CC)[C@H](CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)c1ccsc1 ZINC000031419973 966011225 /nfs/dbraw/zinc/01/12/25/966011225.db2.gz JTPFQHUAAPMSOT-LJQANCHMSA-N 0 3 413.503 3.655 20 5 HHBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CNC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000538140346 1013701127 /nfs/dbraw/zinc/70/11/27/1013701127.db2.gz IEXOPUPGFWNQMT-UHFFFAOYSA-N 0 3 411.458 3.672 20 5 HHBDHN CC[C@H](CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)N1CCc2ccccc2C1 ZINC000065726000 968614726 /nfs/dbraw/zinc/61/47/26/968614726.db2.gz XZSGNYMIDPMRER-HXUWFJFHSA-N 0 3 406.486 3.503 20 5 HHBDHN Cc1cc(C(=O)N(CCN(C)C)Cc2ccc(Br)cc2)ccc1[N+](=O)[O-] ZINC000065936152 968723689 /nfs/dbraw/zinc/72/36/89/968723689.db2.gz MABYGEBEBKCMSQ-UHFFFAOYSA-N 0 3 420.307 3.870 20 5 HHBDHN CN1CCC(N(Cc2ccco2)C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 ZINC000071838578 968868973 /nfs/dbraw/zinc/86/89/73/968868973.db2.gz UICFCDSTZMJYTI-UHFFFAOYSA-N 0 3 412.490 3.525 20 5 HHBDHN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCCN(Cc2ccccc2)CC1 ZINC000105542674 969245650 /nfs/dbraw/zinc/24/56/50/969245650.db2.gz WQQCQFABCXKYBC-QGZVFWFLSA-N 0 3 407.474 3.914 20 5 HHBDHN CCN1CCN(Cc2ccc(NC(=O)c3ccc(SC)c([N+](=O)[O-])c3)cc2)CC1 ZINC000195672814 969946336 /nfs/dbraw/zinc/94/63/36/969946336.db2.gz BZJVDAWNANRZJT-UHFFFAOYSA-N 0 3 414.531 3.707 20 5 HHBDHN CC(C)NC(=O)CCNCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000236635152 970149801 /nfs/dbraw/zinc/14/98/01/970149801.db2.gz DIYOTGKLGDKEOY-UHFFFAOYSA-N 0 3 410.268 3.622 20 5 HHBDHN COc1cc(CN[C@@H]2C[C@](C)(OC)C2(C)C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000237200148 970240473 /nfs/dbraw/zinc/24/04/73/970240473.db2.gz KXBXDEUTHFKUKH-WBVHZDCISA-N 0 3 406.401 3.838 20 5 HHBDHN O=C(NCCCNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1cccc(F)c1 ZINC000237729623 970348385 /nfs/dbraw/zinc/34/83/85/970348385.db2.gz ODBGIRHHINDSJO-UHFFFAOYSA-N 0 3 414.462 3.767 20 5 HHBDHN O=C(CCCNCc1cc([N+](=O)[O-])ccc1OC(F)F)N1CCc2ccccc21 ZINC000237818763 970374767 /nfs/dbraw/zinc/37/47/67/970374767.db2.gz HMQXSERCPVPGDL-UHFFFAOYSA-N 0 3 405.401 3.655 20 5 HHBDHN CCN1CCN(c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)c(C)c2)CC1 ZINC000247995286 970496532 /nfs/dbraw/zinc/49/65/32/970496532.db2.gz PJTHUJKKICJFHY-UHFFFAOYSA-N 0 3 402.882 3.951 20 5 HHBDHN O=C(NC1CCN(Cc2ccccc2)CC1)c1cccc([N+](=O)[O-])c1Br ZINC000311265283 972626844 /nfs/dbraw/zinc/62/68/44/972626844.db2.gz OJQSYYGFYBDKGQ-UHFFFAOYSA-N 0 3 418.291 3.752 20 5 HHBDHN COc1ccc(C(=O)N[C@H](CN2CCc3ccccc3C2)C(C)(C)C)cc1[N+](=O)[O-] ZINC000410049630 973532727 /nfs/dbraw/zinc/53/27/27/973532727.db2.gz OVSZCXSCJLEYIW-OAQYLSRUSA-N 0 3 411.502 3.806 20 5 HHBDHN COC(=O)c1ccc(-c2ccc(CN3CCC(n4ccc([N+](=O)[O-])n4)CC3)o2)cc1 ZINC000425969621 974073615 /nfs/dbraw/zinc/07/36/15/974073615.db2.gz ZHCAJAGPQROGNG-UHFFFAOYSA-N 0 3 410.430 3.675 20 5 HHBDHN C[C@@H]1CN(CCC2CCN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3)CC2)C[C@H](C)O1 ZINC000427327199 975054455 /nfs/dbraw/zinc/05/44/55/975054455.db2.gz CHBQNXNPUMJMND-GASCZTMLSA-N 0 3 409.914 3.600 20 5 HHBDHN C[C@@H](N[C@@H]1Cc2cccc(O)c2C1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000429311207 976582427 /nfs/dbraw/zinc/58/24/27/976582427.db2.gz YJJGTPGTWABZSE-IUODEOHRSA-N 0 3 424.482 3.508 20 5 HHBDHN Cc1noc(C[C@H](N[C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)c2ccccc2)n1 ZINC000429472508 976738170 /nfs/dbraw/zinc/73/81/70/976738170.db2.gz PMIYNMDVWWGPPT-KUHUBIRLSA-N 0 3 409.446 3.577 20 5 HHBDHN COC(=O)[C@@H]1CCO[C@H]1C1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000430088640 977314566 /nfs/dbraw/zinc/31/45/66/977314566.db2.gz XHENWLOJFIXNON-NQIIRXRSSA-N 0 3 414.458 3.645 20 5 HHBDHN CN(C)[C@H]1CCOc2c(Nc3ccc(C(=O)c4nccn4C)cc3[N+](=O)[O-])cccc21 ZINC000432943599 979018286 /nfs/dbraw/zinc/01/82/86/979018286.db2.gz IPEPKPHHCLJSFR-SFHVURJKSA-N 0 3 421.457 3.688 20 5 HHBDHN COc1ccccc1-c1noc(C2CCN(CCOc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000433176224 979120082 /nfs/dbraw/zinc/12/00/82/979120082.db2.gz PZMREXXHQFBIOF-UHFFFAOYSA-N 0 3 424.457 3.912 20 5 HHBDHN COc1cc(CNCC2(CO)CC3(CCC3)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000433203481 979139068 /nfs/dbraw/zinc/13/90/68/979139068.db2.gz BRQWRVQRFUWFAS-UHFFFAOYSA-N 0 3 418.412 3.577 20 5 HHBDHN CC(C)c1n[n-]c(C(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000433826249 979605402 /nfs/dbraw/zinc/60/54/02/979605402.db2.gz MTJDSHJVFRJUBK-HNNXBMFYSA-N 0 3 405.886 3.662 20 5 HHBDHN Cc1cc(CN2CCSCC2)ccc1NC(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000434181238 979946531 /nfs/dbraw/zinc/94/65/31/979946531.db2.gz GKNYNEISSNDGQZ-UHFFFAOYSA-N 0 3 403.508 3.551 20 5 HHBDHN Cc1cc(NC(=O)c2cc([N+](=O)[O-])cnc2C)n([C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000435267668 980750486 /nfs/dbraw/zinc/75/04/86/980750486.db2.gz NDKMLHSRIXGNDL-GOSISDBHSA-N 0 3 420.473 3.502 20 5 HHBDHN Cc1cc(NC(=O)Cc2cccc([N+](=O)[O-])c2)n([C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000435288489 980761392 /nfs/dbraw/zinc/76/13/92/980761392.db2.gz KKDCMRCGNPGOGZ-NRFANRHFSA-N 0 3 419.485 3.728 20 5 HHBDHN Cc1cc(NC(=O)c2ccc([N+](=O)[O-])s2)n([C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000435289339 980761735 /nfs/dbraw/zinc/76/17/35/980761735.db2.gz NOPWXPOGJONSSK-MRXNPFEDSA-N 0 3 411.487 3.861 20 5 HHBDHN Cc1cc(C(=O)Nc2ccnn2[C@@H]2CCN(Cc3ccccc3)C2)cc([N+](=O)[O-])c1 ZINC000435367758 980816060 /nfs/dbraw/zinc/81/60/60/980816060.db2.gz ZWHGLDMXPFEVFF-LJQANCHMSA-N 0 3 405.458 3.799 20 5 HHBDHN C[C@@H]1CN(CCC2CCN(c3cc(C(F)(F)F)ncc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000436403569 981350541 /nfs/dbraw/zinc/35/05/41/981350541.db2.gz JAYBDKSFBFAPNH-OKILXGFUSA-N 0 3 416.444 3.724 20 5 HHBDHN O=C(c1ccccc1[O-])N1CCC([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000436824677 981577703 /nfs/dbraw/zinc/57/77/03/981577703.db2.gz AHMAYMOJDHMUQH-FQEVSTJZSA-N 0 3 409.486 3.516 20 5 HHBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN2CCN(CC[C@H]3CCOC3)CC2)s1 ZINC000437592075 982216514 /nfs/dbraw/zinc/21/65/14/982216514.db2.gz QBDGFERXJJBZOY-KRWDZBQOSA-N 0 3 401.532 3.868 20 5 HHBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1ccc(OC2CCN(C)CC2)nc1 ZINC000438951264 983174165 /nfs/dbraw/zinc/17/41/65/983174165.db2.gz JCNUFDLSSJOLSD-UHFFFAOYSA-N 0 3 404.854 3.677 20 5 HHBDHN C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCCN2Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000439013906 983210351 /nfs/dbraw/zinc/21/03/51/983210351.db2.gz YTSIZZXJGSAGKA-FDPIWHGQSA-N 0 3 400.479 3.796 20 5 HHBDHN CC(C)C1CCC(N2CCN(Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)CC1 ZINC000440331306 983725305 /nfs/dbraw/zinc/72/53/05/983725305.db2.gz NKODPMLJSRSTLE-UHFFFAOYSA-N 0 3 413.522 3.977 20 5 HHBDHN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)cc1 ZINC000440910967 983967787 /nfs/dbraw/zinc/96/77/87/983967787.db2.gz FOTZJDLDQDXAFX-CABCVRRESA-N 0 3 411.458 3.751 20 5 HHBDHN C[C@H](Nc1ccc(C(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000440912832 983968751 /nfs/dbraw/zinc/96/87/51/983968751.db2.gz OWEAKGHTQXCCCK-VYDXJSESSA-N 0 3 409.490 3.518 20 5 HHBDHN CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000469502811 987180158 /nfs/dbraw/zinc/18/01/58/987180158.db2.gz DGHPJDRIATXDTG-QFIPXVFZSA-N 0 3 408.502 3.891 20 5 HHBDHN CC(C)NC(=O)c1ccc(N(C)[C@H]2CCCN(Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000470872651 988941084 /nfs/dbraw/zinc/94/10/84/988941084.db2.gz KMTYZWVDLLTLFK-FQEVSTJZSA-N 0 3 410.518 3.834 20 5 HHBDHN CCc1ccc(C(=O)Nc2ccc(C(=O)N(C)[C@@H]3CCCN(C)C3)cc2)cc1[N+](=O)[O-] ZINC000471421948 989599858 /nfs/dbraw/zinc/59/98/58/989599858.db2.gz LGCOHEPMVMPZKE-HXUWFJFHSA-N 0 3 424.501 3.576 20 5 HHBDHN CCN1CCN(c2cccc(NC(=O)[C@H](C)c3ccc([N+](=O)[O-])cc3F)c2)CC1 ZINC000471634614 989841852 /nfs/dbraw/zinc/84/18/52/989841852.db2.gz NFYXZRRMKUWHPQ-OAHLLOKOSA-N 0 3 400.454 3.618 20 5 HHBDHN Cc1c(CNC(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)cccc1[N+](=O)[O-] ZINC000472169668 993216254 /nfs/dbraw/zinc/21/62/54/993216254.db2.gz HGXRIOLPHGZQFB-UHFFFAOYSA-N 0 3 414.428 3.508 20 5 HHBDHN CSc1ccc(C(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)cc1[N+](=O)[O-] ZINC000473524633 994380473 /nfs/dbraw/zinc/38/04/73/994380473.db2.gz VFEUTEHPGBSUJZ-UHFFFAOYSA-N 0 3 417.453 3.852 20 5 HHBDHN CCC[C@H](NCc1ccccc1N1CCN(C(C)=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000482016707 994926753 /nfs/dbraw/zinc/92/67/53/994926753.db2.gz MLFKONCWBFCAKP-QFIPXVFZSA-N 0 3 410.518 3.894 20 5 HHBDHN COC(=O)COc1ccc(CN2CC[C@H](c3ccc(Cl)cc3)C2)cc1[N+](=O)[O-] ZINC000475690735 996303140 /nfs/dbraw/zinc/30/31/40/996303140.db2.gz FPDXSUTXDLRSGL-INIZCTEOSA-N 0 3 404.850 3.790 20 5 HHBDHN CC[C@H](N[C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1)C(=O)N1CCOCC1 ZINC000484291846 996683269 /nfs/dbraw/zinc/68/32/69/996683269.db2.gz NPGYNKVZMWUAFC-ZBFHGGJFSA-N 0 3 403.504 3.611 20 5 HHBDHN COc1ccccc1-c1nc(C2CCN(CCOc3ccc([N+](=O)[O-])cc3)CC2)no1 ZINC000484323593 996703239 /nfs/dbraw/zinc/70/32/39/996703239.db2.gz LIFIDLPNDJVXML-UHFFFAOYSA-N 0 3 424.457 3.912 20 5 HHBDHN Cc1ccccc1O[C@@H]1CCCC[C@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000484634924 996970032 /nfs/dbraw/zinc/97/00/32/996970032.db2.gz HQCBDPTVMQYXHJ-TZIWHRDSSA-N 0 3 418.515 3.657 20 5 HHBDHN COc1ccc(NC(=O)CN[C@H]2CCCC[C@H]2Oc2cccc(C)c2)c([N+](=O)[O-])c1 ZINC000484651837 996988761 /nfs/dbraw/zinc/98/87/61/996988761.db2.gz NUIBFGRXNIOCOO-PZJWPPBQSA-N 0 3 413.474 3.830 20 5 HHBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H]1CCCC[C@H]1Oc1ccccc1C ZINC000484660307 996998626 /nfs/dbraw/zinc/99/86/26/996998626.db2.gz ZNGZFSJSNHDCNB-FXAWDEMLSA-N 0 3 413.474 3.830 20 5 HHBDHN CC(C)Oc1ccc([C@H](CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)N(C)C)cc1 ZINC000484716857 997057186 /nfs/dbraw/zinc/05/71/86/997057186.db2.gz WLPJSHUGWRYNCZ-NRFANRHFSA-N 0 3 414.506 3.527 20 5 HHBDHN CCc1ccc([C@@H](CNC(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])N(C)C)cc1 ZINC000484946525 997324414 /nfs/dbraw/zinc/32/44/14/997324414.db2.gz QJIIPGWPGIUIGK-GOSISDBHSA-N 0 3 417.531 3.920 20 5 HHBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000477043926 997679494 /nfs/dbraw/zinc/67/94/94/997679494.db2.gz OBIDUZJQBHVPHL-JMGYQRAPSA-N 0 3 403.504 3.662 20 5 HHBDHN COc1ccc([N+](=O)[O-])cc1CN1C[C@H]2CCC[C@@]2(c2nc(-c3cccnc3)no2)C1 ZINC000486846596 998970370 /nfs/dbraw/zinc/97/03/70/998970370.db2.gz OVGDKCJMDBICGG-VGOFRKELSA-N 0 3 421.457 3.602 20 5 HHBDHN COCCN1CCC[C@H]1CNC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000487587676 999220070 /nfs/dbraw/zinc/22/00/70/999220070.db2.gz HAHSEQKINXEGHA-SFHVURJKSA-N 0 3 415.515 3.587 20 5 HHBDHN CN1CCC(N(Cc2ccccc2)C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000488678228 999568675 /nfs/dbraw/zinc/56/86/75/999568675.db2.gz URDCCEKJWUFULG-UHFFFAOYSA-N 0 3 419.485 3.517 20 5 HHBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[C@H](c3nc4c(s3)CCCC4)C2)c1 ZINC000489103505 999700380 /nfs/dbraw/zinc/70/03/80/999700380.db2.gz PAZCXIBOPNLLEG-DOTOQJQBSA-N 0 3 417.531 3.549 20 5 HHBDHN CCN(CC1CCN(c2ccccn2)CC1)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000489284531 999736855 /nfs/dbraw/zinc/73/68/55/999736855.db2.gz BIESTRSHFUUTFY-QGZVFWFLSA-N 0 3 411.506 3.555 20 5 HHBDHN CCN(CC1CCN(c2ccccn2)CC1)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000489284530 999736884 /nfs/dbraw/zinc/73/68/84/999736884.db2.gz BIESTRSHFUUTFY-KRWDZBQOSA-N 0 3 411.506 3.555 20 5 HHBDHN Cc1ccc([C@H](CNC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)N2CCCC2)cc1 ZINC000489716279 999823486 /nfs/dbraw/zinc/82/34/86/999823486.db2.gz OJJSRNQKXJLUJQ-QFIPXVFZSA-N 0 3 419.485 3.656 20 5 HHBDHN CS(=O)(=O)c1cccc([C@H](NCCc2ccc([N+](=O)[O-])cc2)c2ccccc2)c1 ZINC000491028256 1000036110 /nfs/dbraw/zinc/03/61/10/1000036110.db2.gz DFTAZSLJJXUXSX-JOCHJYFZSA-N 0 3 410.495 3.920 20 5 HHBDHN C[C@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])[C@H](c1ccccc1)N(C)C ZINC000505582561 1000919721 /nfs/dbraw/zinc/91/97/21/1000919721.db2.gz VMEYNRZFMVZGAE-YVEFUNNKSA-N 0 3 406.280 3.779 20 5 HHBDHN COc1cc(CN[C@](C)(CO)C2CCCCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000505611471 1000933851 /nfs/dbraw/zinc/93/38/51/1000933851.db2.gz UUNDIIPDVLIWEP-LJQANCHMSA-N 0 3 402.438 3.668 20 5 HHBDHN CCN(Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C[C@@H]1COc2ccccc2O1 ZINC000506806525 1001540260 /nfs/dbraw/zinc/54/02/60/1001540260.db2.gz QQZDGLUNCAELFR-LJQANCHMSA-N 0 3 408.458 3.657 20 5 HHBDHN CC[C@H](CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)N1CCc2ccccc2C1 ZINC000497893697 1001553773 /nfs/dbraw/zinc/55/37/73/1001553773.db2.gz FRBWJLQHCDPNFC-GOSISDBHSA-N 0 3 404.470 3.710 20 5 HHBDHN Cc1cccc(CN(CCN(C)C)C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)c1 ZINC000498180820 1001677269 /nfs/dbraw/zinc/67/72/69/1001677269.db2.gz DIRFJAYDDXOLAJ-UHFFFAOYSA-N 0 3 407.417 3.709 20 5 HHBDHN CCOc1ccc(C(=O)N2CCCN(CCCc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000507117568 1001819194 /nfs/dbraw/zinc/81/91/94/1001819194.db2.gz JNOSGDYPLBPESD-UHFFFAOYSA-N 0 3 411.502 3.774 20 5 HHBDHN CCOCCCNC(=O)C1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000507172029 1001858675 /nfs/dbraw/zinc/85/86/75/1001858675.db2.gz YZGILZIUUVNVMH-UHFFFAOYSA-N 0 3 415.490 3.610 20 5 HHBDHN COc1ccc([C@@H](CN(C)C)NC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000499110238 1002500222 /nfs/dbraw/zinc/50/02/22/1002500222.db2.gz JAMMHMAIHKEUOI-DNVCBOLYSA-N 0 3 400.479 3.575 20 5 HHBDHN CC(C)(O)CN1CCc2c(cccc2NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000499206235 1002591959 /nfs/dbraw/zinc/59/19/59/1002591959.db2.gz GMIABRWSXXMELC-UHFFFAOYSA-N 0 3 411.502 3.640 20 5 HHBDHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCc1cc(Cl)c2c(c1)OCCCO2 ZINC000508337285 1002841351 /nfs/dbraw/zinc/84/13/51/1002841351.db2.gz DUGHMDMBGKNBRT-ZDUSSCGKSA-N 0 3 419.865 3.916 20 5 HHBDHN COc1ccc([C@@H](CN2CCCC2)NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)cc1 ZINC000500394289 1003689852 /nfs/dbraw/zinc/68/98/52/1003689852.db2.gz DSLXDARYTHCGDS-LJQANCHMSA-N 0 3 408.458 3.652 20 5 HHBDHN Cc1cccc(N2CCN(CCCCNC(=O)c3c(C)cccc3[N+](=O)[O-])CC2)c1 ZINC000512387767 1004263179 /nfs/dbraw/zinc/26/31/79/1004263179.db2.gz PVUACSHLPOOTKJ-UHFFFAOYSA-N 0 3 410.518 3.544 20 5 HHBDHN C[C@@H](NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@H](c1ccccc1)N(C)C ZINC000501247161 1004311300 /nfs/dbraw/zinc/31/13/00/1004311300.db2.gz INKLXLDVXRMHIS-AUUYWEPGSA-N 0 3 404.898 3.781 20 5 HHBDHN COc1ccc(-c2ccc(CN3CCC[C@@H](CNC(=O)C(C)C)C3)o2)c([N+](=O)[O-])c1 ZINC000512464360 1004323172 /nfs/dbraw/zinc/32/31/72/1004323172.db2.gz WUMMVGIRUWLSRU-INIZCTEOSA-N 0 3 415.490 3.848 20 5 HHBDHN O=[N+]([O-])c1ccc(-c2ccc(CNC[C@@H](N3CCOCC3)C(F)(F)F)s2)cc1 ZINC000512977337 1004741060 /nfs/dbraw/zinc/74/10/60/1004741060.db2.gz KDRDORVMZATKRQ-QGZVFWFLSA-N 0 3 415.437 3.676 20 5 HHBDHN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000510836441 1004883041 /nfs/dbraw/zinc/88/30/41/1004883041.db2.gz XJQYVZOIXJVLJZ-HNNXBMFYSA-N 0 3 420.416 3.982 20 5 HHBDHN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000513302480 1004902982 /nfs/dbraw/zinc/90/29/82/1004902982.db2.gz VXXHZHCWZNCCTB-MAUKXSAKSA-N 0 3 417.893 3.796 20 5 HHBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC([C@H](F)c3ccccc3F)CC2)c1 ZINC000511087817 1005012530 /nfs/dbraw/zinc/01/25/30/1005012530.db2.gz BWAVLYNBHCKBEV-UTKZUKDTSA-N 0 3 406.429 3.896 20 5 HHBDHN CN(CCc1ccccc1[N+](=O)[O-])CCc1nc2sc3c(c2c(N)n1)CCCC3 ZINC000511122768 1005030552 /nfs/dbraw/zinc/03/05/52/1005030552.db2.gz IPPHOFUTZNRJJZ-UHFFFAOYSA-N 0 3 411.531 3.778 20 5 HHBDHN CC(=O)Nc1ccc(OC[C@H](O)CN(Cc2ccc(C)c([N+](=O)[O-])c2)C(C)C)cc1 ZINC000513689203 1005083138 /nfs/dbraw/zinc/08/31/38/1005083138.db2.gz AEPZJZDFAXELCV-HXUWFJFHSA-N 0 3 415.490 3.512 20 5 HHBDHN CN1CCC(Oc2ccc(NC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)cn2)CC1 ZINC000513863089 1005163725 /nfs/dbraw/zinc/16/37/25/1005163725.db2.gz DGPZHBRILTXQIT-UHFFFAOYSA-N 0 3 405.842 3.760 20 5 HHBDHN Nc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000513934922 1005194138 /nfs/dbraw/zinc/19/41/38/1005194138.db2.gz ARDZUFRDBRIFRN-PZJWPPBQSA-N 0 3 416.481 3.575 20 5 HHBDHN COc1ccc(C[C@@H](C)CN(C)[C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC000534172915 1006156774 /nfs/dbraw/zinc/15/67/74/1006156774.db2.gz HOKVSWHGKGOQRU-HZPDHXFCSA-N 0 3 415.490 3.750 20 5 HHBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1ccc(CS(=O)(=O)NC(C)C)cc1 ZINC000531951866 1006541110 /nfs/dbraw/zinc/54/11/10/1006541110.db2.gz YLSXTMYBCRAWLX-INIZCTEOSA-N 0 3 405.520 3.582 20 5 HHBDHN CSCC[C@@H](CO)NCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000531954108 1006543341 /nfs/dbraw/zinc/54/33/41/1006543341.db2.gz HMNBMIOBZQTACB-NSHDSACASA-N 0 3 415.309 3.821 20 5 HHBDHN COc1ccc([C@H](CNC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)N2CCCC2)cc1 ZINC000515841542 1006712580 /nfs/dbraw/zinc/71/25/80/1006712580.db2.gz AMCJBRVKARMVTK-KKSFZXQISA-N 0 3 412.490 3.801 20 5 HHBDHN C[C@H](CCNCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)[S@@](C)=O ZINC000532468283 1006906999 /nfs/dbraw/zinc/90/69/99/1006906999.db2.gz LUCXBAVDCQHMJC-YDGUKXNOSA-N 0 3 415.309 3.864 20 5 HHBDHN CN1CC[C@@H](NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)[C@H]1c1ccccc1 ZINC000535394601 1007460918 /nfs/dbraw/zinc/46/09/18/1007460918.db2.gz JOYPZNIFWANMLY-FGZHOGPDSA-N 0 3 424.501 3.593 20 5 HHBDHN C[C@H]1CN(Cc2ccccc2)CCCN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000533293666 1007608617 /nfs/dbraw/zinc/60/86/17/1007608617.db2.gz ZANNZMQJLJXCQX-KRWDZBQOSA-N 0 3 407.474 3.741 20 5 HHBDHN CCOc1ccc([C@@H](C)N[C@H](CN2CCN(C)CC2)c2ccccc2)cc1[N+](=O)[O-] ZINC000535777535 1007787733 /nfs/dbraw/zinc/78/77/33/1007787733.db2.gz GLUPBZKJSATFCN-WIYYLYMNSA-N 0 3 412.534 3.633 20 5 HHBDHN CN(c1ccccc1)c1ccc(CN2CCCC[C@H]2[C@H]2CNC(=O)C2)cc1[N+](=O)[O-] ZINC000539923768 1008186571 /nfs/dbraw/zinc/18/65/71/1008186571.db2.gz CPZAUJWJXDRKCZ-QUCCMNQESA-N 0 3 408.502 3.853 20 5 HHBDHN CCN1CCN(c2ccc(F)cc2[C@@H](C)NCc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000540408377 1008420507 /nfs/dbraw/zinc/42/05/07/1008420507.db2.gz HXKCGIAWVVJLGR-OAHLLOKOSA-N 0 3 404.461 3.866 20 5 HHBDHN CCOC(=O)C1CCC(N(CC)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000548944662 1008530662 /nfs/dbraw/zinc/53/06/62/1008530662.db2.gz FQPUAYJGWHHWRW-UHFFFAOYSA-N 0 3 411.886 3.631 20 5 HHBDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000519665787 1008949777 /nfs/dbraw/zinc/94/97/77/1008949777.db2.gz KZTGFIPSRRQHNI-OAHLLOKOSA-N 0 3 405.882 3.654 20 5 HHBDHN CN1CCN(c2ncccc2CNCc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000520962912 1010008493 /nfs/dbraw/zinc/00/84/93/1010008493.db2.gz ZJCDYSYQMZFJFM-UHFFFAOYSA-N 0 3 423.542 3.760 20 5 HHBDHN COc1ccc([C@H](CN2CCCC2)NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000544538930 1010168144 /nfs/dbraw/zinc/16/81/44/1010168144.db2.gz ZVJMYTOTLZWDME-VFNWGFHPSA-N 0 3 415.465 3.799 20 5 HHBDHN Cc1csc(C2(NCCCn3c(=O)oc4ccc([N+](=O)[O-])cc43)CCCC2)n1 ZINC000548626941 1010688339 /nfs/dbraw/zinc/68/83/39/1010688339.db2.gz BPGLTXHGXDCBLA-UHFFFAOYSA-N 0 3 402.476 3.717 20 5 HHBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](COc1ccccc1F)C(C)(C)C ZINC000540589229 1011244706 /nfs/dbraw/zinc/24/47/06/1011244706.db2.gz RIVRUXHOOGYTNN-IBGZPJMESA-N 0 3 419.453 3.764 20 5 HHBDHN Cc1cc(C(=O)NC2CCN(CCOc3ccc(Cl)cc3)CC2)cc([N+](=O)[O-])c1 ZINC000522916385 1011363540 /nfs/dbraw/zinc/36/35/40/1011363540.db2.gz YGSQVACPQOIEON-UHFFFAOYSA-N 0 3 417.893 3.830 20 5 HHBDHN O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCCN(C2CCCC2)CC1 ZINC000523392644 1011870081 /nfs/dbraw/zinc/87/00/81/1011870081.db2.gz XWWKLEITRPGULO-UHFFFAOYSA-N 0 3 403.526 3.632 20 5 HHBDHN C[C@H](c1ccncc1)N1CCC(N[C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000552061781 1012080195 /nfs/dbraw/zinc/08/01/95/1012080195.db2.gz ZZNJRTLMUBTSCS-VGOFRKELSA-N 0 3 420.517 3.628 20 5 HHBDHN COc1ccc(CN[C@H](C)CC(=O)N(C)Cc2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000536883135 1012131447 /nfs/dbraw/zinc/13/14/47/1012131447.db2.gz OXSDHGYVWQCRIM-CQSZACIVSA-N 0 3 405.882 3.784 20 5 HHBDHN Cc1c(Cl)cc(S(=O)(=O)N2CCC[C@H](N3[C@H](C)CC[C@H]3C)C2)cc1[N+](=O)[O-] ZINC000552116123 1012134318 /nfs/dbraw/zinc/13/43/18/1012134318.db2.gz AMODAEVSWMQTHZ-NFAWXSAZSA-N 0 3 415.943 3.583 20 5 HHBDHN O=C(Nc1cccc(CN2CC[C@H](O)C2)c1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000552199042 1012211293 /nfs/dbraw/zinc/21/12/93/1012211293.db2.gz LPPGENJFBYJHCF-SFHVURJKSA-N 0 3 424.482 3.537 20 5 HHBDHN O=C(CN[C@@H](C[C@H]1CCOC1)c1ccccc1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000537132700 1012517439 /nfs/dbraw/zinc/51/74/39/1012517439.db2.gz MSYCMTSHEDJJGS-KUHUBIRLSA-N 0 3 403.866 3.944 20 5 HHBDHN COc1ccc([C@H](CN(C)C)NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000552816437 1012824394 /nfs/dbraw/zinc/82/43/94/1012824394.db2.gz QCHJKRAONNZSBJ-KUHUBIRLSA-N 0 3 403.504 3.503 20 5 HHBDHN CC(C)Oc1ccc([C@H](CNCc2cc3c(cc2[N+](=O)[O-])OCCO3)N(C)C)cc1 ZINC000588929716 1073347679 /nfs/dbraw/zinc/34/76/79/1073347679.db2.gz AZOFQSOUWUDXGB-FQEVSTJZSA-N 0 3 415.490 3.546 20 5 HHBDHN CCN1CCC(Nc2ccc(C(=O)c3ccccc3C(=O)OC)cc2[N+](=O)[O-])CC1 ZINC000600082751 1073494078 /nfs/dbraw/zinc/49/40/78/1073494078.db2.gz IIQBCQYVTMKNKA-UHFFFAOYSA-N 0 3 411.458 3.509 20 5 HHBDHN COc1ccc(NC(=O)[C@H](C)N[C@H](C[C@H]2CCOC2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000572946533 1073880540 /nfs/dbraw/zinc/88/05/40/1073880540.db2.gz OFSNWEZCZSGHMU-RZQQEMMASA-N 0 3 413.474 3.688 20 5 HHBDHN COc1ccc(CNC[C@H](O)Cn2c3ccccc3c3ccccc32)cc1[N+](=O)[O-] ZINC000555912007 1073953311 /nfs/dbraw/zinc/95/33/11/1073953311.db2.gz PFWNLFMJYQDWPS-KRWDZBQOSA-N 0 3 405.454 3.862 20 5 HHBDHN O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC001164627211 719068156 /nfs/dbraw/zinc/06/81/56/719068156.db2.gz PWKRWBLEKOVMLE-KGLIPLIRSA-N 0 3 408.289 3.792 20 5 HHBDHN O=[N+]([O-])c1cc2ccccc2nc1N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164908815 721544212 /nfs/dbraw/zinc/54/42/12/721544212.db2.gz QRFHYXMMNYWDEF-MJGOQNOKSA-N 0 3 408.433 3.624 20 5 HHBDHN CNC(=O)c1ccc(NCC2CCN(Cc3ccccc3Cl)CC2)c([N+](=O)[O-])c1 ZINC000301207549 970808100 /nfs/dbraw/zinc/80/81/00/970808100.db2.gz UIHUVFDRYFIODX-UHFFFAOYSA-N 0 3 416.909 3.932 20 5 HHBDHN CNC(=O)c1ccc(N[C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)c([N+](=O)[O-])c1 ZINC000301300284 970856191 /nfs/dbraw/zinc/85/61/91/970856191.db2.gz UQLCDACQABPJJM-INIZCTEOSA-N 0 3 422.407 3.660 20 5 HHBDHN C[C@@H](Nc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-])[C@@H]1CCCN(C2CCC2)C1 ZINC000302039213 971158245 /nfs/dbraw/zinc/15/82/45/971158245.db2.gz HDNCUQHDYABLKV-CHWSQXEVSA-N 0 3 417.478 3.656 20 5 HHBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000303753040 972005397 /nfs/dbraw/zinc/00/53/97/972005397.db2.gz CHZJIRSJMIIAED-MJGOQNOKSA-N 0 3 417.531 3.577 20 5 HHBDHN C[C@H]1C[C@H](N2CCCC2)CN1C(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000553176230 1013137676 /nfs/dbraw/zinc/13/76/76/1013137676.db2.gz VGCFIEVNGQXHNW-BBRMVZONSA-N 0 3 411.452 3.658 20 5 HHBDHN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](NCC[C@H]1CCOC1)c1ccccc1 ZINC000542211835 1013158561 /nfs/dbraw/zinc/15/85/61/1013158561.db2.gz SGTVEVCQUODPSA-IFXJQAMLSA-N 0 3 403.866 3.944 20 5 HHBDHN Cc1ccc2c(c1)[nH]cc2C1=CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000542212530 1013158773 /nfs/dbraw/zinc/15/87/73/1013158773.db2.gz OVUSOMPANQXONR-GOSISDBHSA-N 0 3 407.470 3.914 20 5 HHBDHN CCN(CC)[C@@H](CNC(=O)NCc1cc([N+](=O)[O-])ccc1OC)c1ccsc1 ZINC000542245081 1013203872 /nfs/dbraw/zinc/20/38/72/1013203872.db2.gz WQSAJQKBHDDFAS-KRWDZBQOSA-N 0 3 406.508 3.547 20 5 HHBDHN O=C(CN[C@@H](Cc1ccccc1)c1ccccc1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000026923638 964724295 /nfs/dbraw/zinc/72/42/95/964724295.db2.gz CDIFGQXWIUTLCC-SFHVURJKSA-N 0 3 419.437 3.836 20 5 HHBDHN CCOc1cccc2cc([C@@H](C)NC[C@@H](O)COc3cccc([N+](=O)[O-])c3)oc21 ZINC000542587904 1013528305 /nfs/dbraw/zinc/52/83/05/1013528305.db2.gz ZCGIQLOOCXTZAS-RHSMWYFYSA-N 0 3 400.431 3.830 20 5 HHBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000537946391 1013529335 /nfs/dbraw/zinc/52/93/35/1013529335.db2.gz CWOUTJMEWXWSPO-SJKOYZFVSA-N 0 3 411.380 3.654 20 5 HHBDHN COc1ccc(Cl)cc1NC(=O)C[C@H](C)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000537973300 1013550211 /nfs/dbraw/zinc/55/02/11/1013550211.db2.gz DTBIAFKGNBTMSC-LBPRGKRZSA-N 0 3 407.854 3.772 20 5 HHBDHN O=C(N[C@H](CN1CCCC1)c1ccccc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000029177330 965298579 /nfs/dbraw/zinc/29/85/79/965298579.db2.gz CEIOVUKRYPQJPI-HXUWFJFHSA-N 0 3 408.502 3.762 20 5 HHBDHN CCOc1cc(C(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)c([N+](=O)[O-])cc1OC ZINC000054225075 965435191 /nfs/dbraw/zinc/43/51/91/965435191.db2.gz TUUDPZACNUHJLR-DOTOQJQBSA-N 0 3 413.474 3.567 20 5 HHBDHN CC[C@@H](CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1)N1CCc2ccccc2C1 ZINC000032446667 966257464 /nfs/dbraw/zinc/25/74/64/966257464.db2.gz SOAMKRNBCWSAGI-NRFANRHFSA-N 0 3 410.518 3.740 20 5 HHBDHN CCN(CC)[C@H](CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)c1ccsc1 ZINC000032666788 966306309 /nfs/dbraw/zinc/30/63/09/966306309.db2.gz IFZXPHADQJBZMQ-LJQANCHMSA-N 0 3 413.503 3.655 20 5 HHBDHN CC1CCN([C@H](CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)c2cccs2)CC1 ZINC000065511678 967500072 /nfs/dbraw/zinc/50/00/72/967500072.db2.gz ASJUKBLWPCZAKR-LJQANCHMSA-N 0 3 416.547 3.971 20 5 HHBDHN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000065901452 968706941 /nfs/dbraw/zinc/70/69/41/968706941.db2.gz UZOYZUJAVQUUHQ-OAQYLSRUSA-N 0 3 406.486 3.720 20 5 HHBDHN CN(C)CCN(Cc1cccc(Cl)c1)C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000065936632 968724983 /nfs/dbraw/zinc/72/49/83/968724983.db2.gz SQTPLYODKIMFRK-UHFFFAOYSA-N 0 3 405.882 3.608 20 5 HHBDHN COc1cc([N+](=O)[O-])c(C(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)cc1SC ZINC000097548858 969157977 /nfs/dbraw/zinc/15/79/77/969157977.db2.gz WWAHMCPFZMYVAA-KRWDZBQOSA-N 0 3 403.504 3.666 20 5 HHBDHN O=[N+]([O-])c1c(N2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)nc2ccccn21 ZINC000139593860 970037820 /nfs/dbraw/zinc/03/78/20/970037820.db2.gz XOQDVRCEDLITKG-UHFFFAOYSA-N 0 3 419.407 3.974 20 5 HHBDHN CC(C)(C)C(=O)NCCNCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000236795838 970173257 /nfs/dbraw/zinc/17/32/57/970173257.db2.gz GFQCQVDZPUEALE-UHFFFAOYSA-N 0 3 421.501 3.699 20 5 HHBDHN CN1CCN(c2cc(CNCc3ccc(-c4ccccc4[N+](=O)[O-])s3)ccn2)CC1 ZINC000237106011 970223105 /nfs/dbraw/zinc/22/31/05/970223105.db2.gz NOYSSKVTYSTUNV-UHFFFAOYSA-N 0 3 423.542 3.760 20 5 HHBDHN COc1cc(CNCCc2c(C)nn(C)c2C)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000237191060 970238870 /nfs/dbraw/zinc/23/88/70/970238870.db2.gz DUWRLAMSJZCKPP-UHFFFAOYSA-N 0 3 424.501 3.865 20 5 HHBDHN COc1ccc(CNCCC(=O)Nc2ccc(Br)cc2C)cc1[N+](=O)[O-] ZINC000237340695 970266203 /nfs/dbraw/zinc/26/62/03/970266203.db2.gz BBDAVKVGQGYRIP-UHFFFAOYSA-N 0 3 422.279 3.793 20 5 HHBDHN Cn1cc(CNCc2cccc(Cn3ccnc3)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237780140 970364791 /nfs/dbraw/zinc/36/47/91/970364791.db2.gz TWWXJEZAJRCPII-UHFFFAOYSA-N 0 3 402.458 3.530 20 5 HHBDHN O=C(c1ccncc1)N1CCC(NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000237916078 970393843 /nfs/dbraw/zinc/39/38/43/970393843.db2.gz BDWXDEJOOPOOPZ-UHFFFAOYSA-N 0 3 423.498 3.508 20 5 HHBDHN CN(C)CCN(Cc1ccccc1)C(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000310364428 972620887 /nfs/dbraw/zinc/62/08/87/972620887.db2.gz RIJFOMLVBQPVLW-UHFFFAOYSA-N 0 3 406.280 3.561 20 5 HHBDHN O=C(NCC1(N2CCSCC2)CCCC1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000426031296 974152463 /nfs/dbraw/zinc/15/24/63/974152463.db2.gz XGGBCTBGPTXIGC-UHFFFAOYSA-N 0 3 418.563 3.630 20 5 HHBDHN C[C@H]1CN(CCC2CCN(c3ccc([N+](=O)[O-])c(OC(F)F)c3)CC2)C[C@H](C)O1 ZINC000426390924 974428258 /nfs/dbraw/zinc/42/82/58/974428258.db2.gz NCLSDNAIXJMZLP-GJZGRUSLSA-N 0 3 413.465 3.912 20 5 HHBDHN O=C(NC[C@@H]1CCCN1Cc1ccccc1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000426469969 974469381 /nfs/dbraw/zinc/46/93/81/974469381.db2.gz ROOGCMXEXKFWRN-QFIPXVFZSA-N 0 3 408.502 3.933 20 5 HHBDHN COc1ccc(-c2ccc(CN3CCN(C4CCOCC4)C[C@@H]3C)o2)c([N+](=O)[O-])c1 ZINC000426543485 974518293 /nfs/dbraw/zinc/51/82/93/974518293.db2.gz JEEOSNCXWYOESE-INIZCTEOSA-N 0 3 415.490 3.549 20 5 HHBDHN O=C(NC[C@@H]1CCCCN1C1CC1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000427443826 975121216 /nfs/dbraw/zinc/12/12/16/975121216.db2.gz WYKSRSMBWNBDKS-IBGZPJMESA-N 0 3 409.486 3.921 20 5 HHBDHN O=[N+]([O-])c1ccc(CNC[C@H](CO)Cc2ccccc2Br)c(Cl)c1 ZINC000428531864 975827105 /nfs/dbraw/zinc/82/71/05/975827105.db2.gz AVKQPTJSZVDHEJ-GFCCVEGCSA-N 0 3 413.699 3.952 20 5 HHBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(CN2CC[C@H](O)C2)c1 ZINC000428551529 975861733 /nfs/dbraw/zinc/86/17/33/975861733.db2.gz SNPDCPHUEVGVNW-KRWDZBQOSA-N 0 3 401.488 3.526 20 5 HHBDHN COc1cc(CNC[C@]2(Cc3ccc(F)cc3)CCC[C@H]2O)c([N+](=O)[O-])cc1OC ZINC000428568087 975879370 /nfs/dbraw/zinc/87/93/70/975879370.db2.gz CQJMXMRJFAELPD-FGZHOGPDSA-N 0 3 418.465 3.615 20 5 HHBDHN C[C@H](NC(=O)N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000428809365 976087636 /nfs/dbraw/zinc/08/76/36/976087636.db2.gz VNQFOKPRXLSWLE-KSZLIROESA-N 0 3 418.538 3.577 20 5 HHBDHN CCN1CCN(Cc2ccc(NC(=O)C(C)(C)c3ccccc3[N+](=O)[O-])cc2)CC1 ZINC000429863136 977134902 /nfs/dbraw/zinc/13/49/02/977134902.db2.gz WMMMRUMHIYJCTK-UHFFFAOYSA-N 0 3 410.518 3.649 20 5 HHBDHN COC(=O)[C@@H]1CCO[C@H]1C1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000430106614 977321494 /nfs/dbraw/zinc/32/14/94/977321494.db2.gz RVILFAQUCVGXCE-CTNGQTDRSA-N 0 3 414.458 3.645 20 5 HHBDHN CCN1CCN(c2ccc(F)cc2[C@H](C)NCc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000430197657 977386294 /nfs/dbraw/zinc/38/62/94/977386294.db2.gz VWHLMUVXGSRXTI-INIZCTEOSA-N 0 3 416.497 3.735 20 5 HHBDHN C[C@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])N(C)Cc1ccccc1 ZINC000430924581 977891123 /nfs/dbraw/zinc/89/11/23/977891123.db2.gz JLEPYZPPUWPYLL-CYBMUJFWSA-N 0 3 406.280 3.608 20 5 HHBDHN COc1cc(CN2CC[C@@H](Nc3ccnc4c3cccc4[N+](=O)[O-])C2)cc(OC)c1 ZINC000432337526 978766843 /nfs/dbraw/zinc/76/68/43/978766843.db2.gz RORXJEXJEWTAAJ-MRXNPFEDSA-N 0 3 408.458 3.847 20 5 HHBDHN CN(C)[C@@H]1CCOc2c(Nc3ccc(C(=O)c4nccn4C)cc3[N+](=O)[O-])cccc21 ZINC000432943598 979018349 /nfs/dbraw/zinc/01/83/49/979018349.db2.gz IPEPKPHHCLJSFR-GOSISDBHSA-N 0 3 421.457 3.688 20 5 HHBDHN CC1(C)C[C@@H](NCCCS(=O)(=O)Cc2ccccc2)c2cc([N+](=O)[O-])ccc21 ZINC000433175279 979118855 /nfs/dbraw/zinc/11/88/55/979118855.db2.gz LJVVUPXOFLWFSS-HXUWFJFHSA-N 0 3 402.516 3.912 20 5 HHBDHN CC(C)c1n[n-]c(C(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000433826250 979605322 /nfs/dbraw/zinc/60/53/22/979605322.db2.gz MTJDSHJVFRJUBK-OAHLLOKOSA-N 0 3 405.886 3.662 20 5 HHBDHN CC(C)c1n[nH]c(C(=O)N[C@H](CN2CCc3ccccc3C2)C(C)(C)C)c1[N+](=O)[O-] ZINC000434224688 979995496 /nfs/dbraw/zinc/99/54/96/979995496.db2.gz CNZMGKAFSTZSCY-QGZVFWFLSA-N 0 3 413.522 3.644 20 5 HHBDHN Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000434321017 980084648 /nfs/dbraw/zinc/08/46/48/980084648.db2.gz IYGNBKKXHIRLCP-GOSISDBHSA-N 0 3 423.448 3.938 20 5 HHBDHN Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000434330309 980094922 /nfs/dbraw/zinc/09/49/22/980094922.db2.gz LJNVUTDNWWGMAL-OAQYLSRUSA-N 0 3 419.485 3.728 20 5 HHBDHN Cc1c(NC(=O)N(CCN(C)C)CC(C)C)cc(Br)cc1[N+](=O)[O-] ZINC000435328290 980786614 /nfs/dbraw/zinc/78/66/14/980786614.db2.gz KNMZDBMAKVHVFN-UHFFFAOYSA-N 0 3 401.305 3.717 20 5 HHBDHN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccnn2[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000435371469 980820603 /nfs/dbraw/zinc/82/06/03/980820603.db2.gz VGDHAAPZDDLOAG-GOSISDBHSA-N 0 3 405.458 3.799 20 5 HHBDHN CN(C)Cc1ccccc1CNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000435817860 981043822 /nfs/dbraw/zinc/04/38/22/981043822.db2.gz MRJMQZYJHZCQTQ-UHFFFAOYSA-N 0 3 421.447 3.951 20 5 HHBDHN C[C@@H](O)CN(CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)C1CCCCC1 ZINC000436227828 981259287 /nfs/dbraw/zinc/25/92/87/981259287.db2.gz NHPQVQKQAVXPIW-CQSZACIVSA-N 0 3 418.519 3.672 20 5 HHBDHN CCN(C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000438654449 982971882 /nfs/dbraw/zinc/97/18/82/982971882.db2.gz GJCDTXCYLZVKHE-HKUYNNGSSA-N 0 3 424.501 3.526 20 5 HHBDHN CCN(C(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000438662299 982979925 /nfs/dbraw/zinc/97/99/25/982979925.db2.gz WSJXMMXRHHQUIC-FXAWDEMLSA-N 0 3 424.501 3.526 20 5 HHBDHN Cc1csc(Sc2ccc(C(=O)N[C@H]3C[C@H](C)N(C4CC4)C3)cc2[N+](=O)[O-])n1 ZINC000440912690 983968933 /nfs/dbraw/zinc/96/89/33/983968933.db2.gz JIHWBBCGEKBDCU-JSGCOSHPSA-N 0 3 418.544 3.866 20 5 HHBDHN COc1ccc(CC2CCN(CCOc3ccc(OC)cc3[N+](=O)[O-])CC2)cc1 ZINC000441530651 984306450 /nfs/dbraw/zinc/30/64/50/984306450.db2.gz GJHCQBPDDYGEDC-UHFFFAOYSA-N 0 3 400.475 3.946 20 5 HHBDHN COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)cc1SC ZINC000462156974 985130607 /nfs/dbraw/zinc/13/06/07/985130607.db2.gz FHCOTBPCXFYRQO-YOEHRIQHSA-N 0 3 415.515 3.576 20 5 HHBDHN C[C@@H](NC[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccc(Br)s1 ZINC000443344830 985509841 /nfs/dbraw/zinc/50/98/41/985509841.db2.gz SAFUHLKDBXWANQ-GHMZBOCLSA-N 0 3 401.282 3.509 20 5 HHBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(OC2CCN(C)CC2)nc1 ZINC000462647547 985587614 /nfs/dbraw/zinc/58/76/14/985587614.db2.gz ZDETUMLWEHODNL-QGZVFWFLSA-N 0 3 412.490 3.670 20 5 HHBDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000463291335 986258127 /nfs/dbraw/zinc/25/81/27/986258127.db2.gz WZECOYJGUXCFME-VGSWGCGISA-N 0 3 408.502 3.789 20 5 HHBDHN CCS[C@H]1CCCC[C@@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000469788110 987433194 /nfs/dbraw/zinc/43/31/94/987433194.db2.gz AAIBPZWFFVKREX-GJZGRUSLSA-N 0 3 416.341 3.950 20 5 HHBDHN CCN(CC)[C@H](CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)c1ccsc1 ZINC000445489486 987549573 /nfs/dbraw/zinc/54/95/73/987549573.db2.gz JRNHHMZVEHJLSC-LJQANCHMSA-N 0 3 402.520 3.807 20 5 HHBDHN COC(=O)[C@H]1CCN(Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)[C@@H]1C ZINC000470156128 988066675 /nfs/dbraw/zinc/06/66/75/988066675.db2.gz JKYHWYNIXGUOBC-BEFAXECRSA-N 0 3 414.458 3.566 20 5 HHBDHN CCOC(=O)c1ccc(N2CCCN(C/C(C)=C\c3cccc([N+](=O)[O-])c3)CC2)nc1 ZINC000470175728 988091770 /nfs/dbraw/zinc/09/17/70/988091770.db2.gz FLLUDFKVJIIMPE-JXAWBTAJSA-N 0 3 424.501 3.782 20 5 HHBDHN CN(c1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000470870896 988940093 /nfs/dbraw/zinc/94/00/93/988940093.db2.gz GEGKMPUHROWIDT-HXUWFJFHSA-N 0 3 408.502 3.588 20 5 HHBDHN O=[N+]([O-])c1ccc(OC2CCN(C[C@H](O)COc3ccc(Cl)cc3)CC2)cc1 ZINC000464776185 989002032 /nfs/dbraw/zinc/00/20/32/989002032.db2.gz KQXIPCYMJOJUGN-KRWDZBQOSA-N 0 3 406.866 3.531 20 5 HHBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000464785742 989015232 /nfs/dbraw/zinc/01/52/32/989015232.db2.gz RWOSBFFPBMQVMZ-IBGZPJMESA-N 0 3 403.454 3.880 20 5 HHBDHN C[C@H]1CCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CCN1Cc1ccccc1 ZINC000464842630 989090337 /nfs/dbraw/zinc/09/03/37/989090337.db2.gz JQNWTVSLOWVNON-KRWDZBQOSA-N 0 3 407.474 3.741 20 5 HHBDHN Cc1ccccc1CN1CCCN(C(=O)COc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000471288558 989446531 /nfs/dbraw/zinc/44/65/31/989446531.db2.gz SMSBANQNKYTJBA-UHFFFAOYSA-N 0 3 417.893 3.670 20 5 HHBDHN O=[N+]([O-])c1cccc(-c2nc(CNC3CCN(c4nccs4)CC3)cs2)c1 ZINC000466420734 991712132 /nfs/dbraw/zinc/71/21/32/991712132.db2.gz FVTSJIYJWLYYIG-UHFFFAOYSA-N 0 3 401.517 3.933 20 5 HHBDHN COc1cc(CN[C@H]2CCCO[C@@H]2CC(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000481759535 994612156 /nfs/dbraw/zinc/61/21/56/994612156.db2.gz GWXLBZGTCLBGDX-GOEBONIOSA-N 0 3 402.438 3.931 20 5 HHBDHN CC(C)C[C@@H]1OCCC[C@H]1NCC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000481762341 994615577 /nfs/dbraw/zinc/61/55/77/994615577.db2.gz SGNQUVLTMPKBAM-AEFFLSMTSA-N 0 3 418.519 3.840 20 5 HHBDHN COC(=O)COc1ccc(CN[C@H](c2ccc(F)cc2)C2CCC2)cc1[N+](=O)[O-] ZINC000474351837 995331141 /nfs/dbraw/zinc/33/11/41/995331141.db2.gz CPPWZPPYFVWHOR-NRFANRHFSA-N 0 3 402.422 3.917 20 5 HHBDHN COc1ccc(-c2ccc(CN3CCC([C@H](C)NC(C)=O)CC3)o2)c([N+](=O)[O-])c1 ZINC000482522173 995531659 /nfs/dbraw/zinc/53/16/59/995531659.db2.gz HJUYEZQEVXOJMB-AWEZNQCLSA-N 0 3 401.463 3.600 20 5 HHBDHN CC(C)c1ccc(CN(C)C[C@@H]2C[C@H](F)CN2Cc2ncccn2)cc1[N+](=O)[O-] ZINC000475081066 995909414 /nfs/dbraw/zinc/90/94/14/995909414.db2.gz BSMKWRXEHCPOMO-ROUUACIJSA-N 0 3 401.486 3.553 20 5 HHBDHN CN(C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475113556 995930516 /nfs/dbraw/zinc/93/05/16/995930516.db2.gz UXMOBXPHLUQBJX-QFIPXVFZSA-N 0 3 410.518 3.833 20 5 HHBDHN CC(C)[C@@H](CCO)N[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000475129356 995941102 /nfs/dbraw/zinc/94/11/02/995941102.db2.gz JRZBCDFAPUEFLO-MJGOQNOKSA-N 0 3 405.882 3.925 20 5 HHBDHN COC(=O)COc1ccc(CN2C[C@@H](c3ccc(F)cc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000475717988 996321081 /nfs/dbraw/zinc/32/10/81/996321081.db2.gz XFBKBSCVHKPWSY-YOEHRIQHSA-N 0 3 402.422 3.664 20 5 HHBDHN O=C(NC1CCN(Cc2ccccc2)CC1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000485074803 997443874 /nfs/dbraw/zinc/44/38/74/997443874.db2.gz DVOIBZCCYMIGFH-UHFFFAOYSA-N 0 3 405.401 3.591 20 5 HHBDHN COc1cc(CNc2nc3ccc(F)cc3[nH]2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000485969053 998410511 /nfs/dbraw/zinc/41/05/11/998410511.db2.gz VDUQDFSLOXXZSQ-UHFFFAOYSA-N 0 3 414.315 3.594 20 5 HHBDHN O=C(Nc1cccc(CN2CCC(CO)CC2)c1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000477753603 998499624 /nfs/dbraw/zinc/49/96/24/998499624.db2.gz GGWHSYVJTJSLRG-UHFFFAOYSA-N 0 3 403.866 3.705 20 5 HHBDHN COc1cccc(CN(CCN(C)C)C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])c1 ZINC000486113135 998560542 /nfs/dbraw/zinc/56/05/42/998560542.db2.gz BHYDCHGZXSYJRD-UHFFFAOYSA-N 0 3 405.882 3.769 20 5 HHBDHN Cc1ccc([C@H](C)NC(=O)N(CCN(C)C)Cc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000493034458 1000154854 /nfs/dbraw/zinc/15/48/54/1000154854.db2.gz RAHNTOVLYPAZSN-INIZCTEOSA-N 0 3 402.470 3.877 20 5 HHBDHN CCOc1ccc([C@@H](C)NC[C@@H](c2ccc(C)o2)N2CCOCC2)cc1[N+](=O)[O-] ZINC000504921899 1000449731 /nfs/dbraw/zinc/44/97/31/1000449731.db2.gz VYZKVQOTZRYGDR-APWZRJJASA-N 0 3 403.479 3.619 20 5 HHBDHN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000505487616 1000813456 /nfs/dbraw/zinc/81/34/56/1000813456.db2.gz JINSHMRRZNQAOA-SFHVURJKSA-N 0 3 401.532 4.000 20 5 HHBDHN Cc1ccc([C@H](CNc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)N2CCCC2)o1 ZINC000506796386 1001534763 /nfs/dbraw/zinc/53/47/63/1001534763.db2.gz INVVYKLHWMRRGY-FQEVSTJZSA-N 0 3 412.490 3.981 20 5 HHBDHN Cc1ccc([C@@H](CNc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)N2CCCC2)o1 ZINC000506796387 1001534923 /nfs/dbraw/zinc/53/49/23/1001534923.db2.gz INVVYKLHWMRRGY-HXUWFJFHSA-N 0 3 412.490 3.981 20 5 HHBDHN COc1ccc([C@H](CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)N2CCCC2)cc1 ZINC000497972423 1001585484 /nfs/dbraw/zinc/58/54/84/1001585484.db2.gz SVNLHZYFUZSTCW-QFIPXVFZSA-N 0 3 422.485 3.511 20 5 HHBDHN CCN(CC)[C@H](CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)c1ccsc1 ZINC000498353220 1001790854 /nfs/dbraw/zinc/79/08/54/1001790854.db2.gz LVQBHQZRWQOCRB-LJQANCHMSA-N 0 3 400.504 3.810 20 5 HHBDHN CNC(=O)[C@H]1CCC[C@H]1NCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000498376494 1001806781 /nfs/dbraw/zinc/80/67/81/1001806781.db2.gz ZHVXYCRKEUTMRG-GOEBONIOSA-N 0 3 422.279 3.622 20 5 HHBDHN CCCN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@H](C)C(=O)Nc1ccccc1 ZINC000507372743 1002030686 /nfs/dbraw/zinc/03/06/86/1002030686.db2.gz UKHNYKSFYAUBHD-QGZVFWFLSA-N 0 3 412.490 3.971 20 5 HHBDHN CCCN1CCN(c2ccc(NC(=O)c3csc([N+](=O)[O-])c3)c(OCC)c2)CC1 ZINC000507621521 1002225802 /nfs/dbraw/zinc/22/58/02/1002225802.db2.gz OSSOLMXADNYWFK-UHFFFAOYSA-N 0 3 418.519 3.839 20 5 HHBDHN C[C@H](NC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000507683459 1002276349 /nfs/dbraw/zinc/27/63/49/1002276349.db2.gz KHMXMPBNCHNLCG-KXBFYZLASA-N 0 3 403.429 3.929 20 5 HHBDHN COc1ccc([C@H](CN(C)C)NC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000499110237 1002500321 /nfs/dbraw/zinc/50/03/21/1002500321.db2.gz JAMMHMAIHKEUOI-BEFAXECRSA-N 0 3 400.479 3.575 20 5 HHBDHN COc1cc(C(=O)NC[C@H](c2ccc(C)cc2)N(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000499147521 1002531321 /nfs/dbraw/zinc/53/13/21/1002531321.db2.gz FGFNSLCDYPYHCI-MRXNPFEDSA-N 0 3 423.416 3.546 20 5 HHBDHN CN(C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)C1CCN(Cc2ccccc2)CC1 ZINC000499530975 1002917545 /nfs/dbraw/zinc/91/75/45/1002917545.db2.gz OKCJKIRONFYFRM-UHFFFAOYSA-N 0 3 419.485 3.517 20 5 HHBDHN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000509005953 1003478011 /nfs/dbraw/zinc/47/80/11/1003478011.db2.gz VYOBOWQJEPBTNK-HZPDHXFCSA-N 0 3 409.552 3.716 20 5 HHBDHN C[C@H](NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@@H](c1ccccc1)N(C)C ZINC000501247164 1004311158 /nfs/dbraw/zinc/31/11/58/1004311158.db2.gz INKLXLDVXRMHIS-LIRRHRJNSA-N 0 3 404.898 3.781 20 5 HHBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3CCC[C@H]3CN3CCOCC3)o2)c(Cl)c1 ZINC000510620294 1004758943 /nfs/dbraw/zinc/75/89/43/1004758943.db2.gz RRUCKFXGOJFCNZ-INIZCTEOSA-N 0 3 405.882 3.805 20 5 HHBDHN CCOc1ccc(NC(=O)CN[C@@H](c2ccc(OC)cc2)C(C)C)c([N+](=O)[O-])c1 ZINC000510750287 1004831593 /nfs/dbraw/zinc/83/15/93/1004831593.db2.gz TUZGGULSYLQKMP-OAQYLSRUSA-N 0 3 401.463 3.928 20 5 HHBDHN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000510836442 1004883102 /nfs/dbraw/zinc/88/31/02/1004883102.db2.gz XJQYVZOIXJVLJZ-OAHLLOKOSA-N 0 3 420.416 3.982 20 5 HHBDHN O=C(NC[C@H]1CCCN1Cc1ccccc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000513302240 1004902871 /nfs/dbraw/zinc/90/28/71/1004902871.db2.gz SZBLPHFHWVHWBR-HXUWFJFHSA-N 0 3 408.502 3.589 20 5 HHBDHN CC[C@@H](CNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1)N1CCc2ccccc2C1 ZINC000510899339 1004920070 /nfs/dbraw/zinc/92/00/70/1004920070.db2.gz UAWPXHGZAFJWAJ-NRFANRHFSA-N 0 3 410.518 3.616 20 5 HHBDHN COc1ccccc1O[C@@H]1CCCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000513364906 1004927075 /nfs/dbraw/zinc/92/70/75/1004927075.db2.gz BSKLCRCKGMYBPL-GOSISDBHSA-N 0 3 413.474 3.784 20 5 HHBDHN O=C(Nc1nncs1)C1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000514693246 1006083418 /nfs/dbraw/zinc/08/34/18/1006083418.db2.gz MGQMTIZFOMAJKA-UHFFFAOYSA-N 0 3 413.459 3.557 20 5 HHBDHN CC[NH+](CC)Cc1cccc(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000515516980 1006508942 /nfs/dbraw/zinc/50/89/42/1006508942.db2.gz MIVBNVRKRSHYIR-UHFFFAOYSA-N 0 3 411.911 3.569 20 5 HHBDHN C[C@@H]1CN([C@H](CNCc2ccc([N+](=O)[O-])cc2)c2c(F)cccc2Cl)CCO1 ZINC000538332245 1006598626 /nfs/dbraw/zinc/59/86/26/1006598626.db2.gz FAOKDERBVXZNLF-AUUYWEPGSA-N 0 3 407.873 3.939 20 5 HHBDHN CC(C)N1CCN([C@@H]2CCN(C(=O)c3cc4ccccc4c4cccnc34)C2)CC1 ZINC000532093505 1006628011 /nfs/dbraw/zinc/62/80/11/1006628011.db2.gz OJKTUKSFMAPSMX-HXUWFJFHSA-N 0 3 402.542 3.629 20 5 HHBDHN C[C@H]1CCCC[N@@H+]1Cc1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000515733503 1006628875 /nfs/dbraw/zinc/62/88/75/1006628875.db2.gz WRVKLKRTIIMGAS-HNNXBMFYSA-N 0 3 421.494 3.587 20 5 HHBDHN C[C@H]1CCCC[N@H+]1Cc1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000515733503 1006628880 /nfs/dbraw/zinc/62/88/80/1006628880.db2.gz WRVKLKRTIIMGAS-HNNXBMFYSA-N 0 3 421.494 3.587 20 5 HHBDHN O=C(Nc1cccc(N2CCN(CCc3ccccc3)CC2)c1)c1cc([N+](=O)[O-])c[nH]1 ZINC000538935877 1007219679 /nfs/dbraw/zinc/21/96/79/1007219679.db2.gz JVSWVOVJLJJVRP-UHFFFAOYSA-N 0 3 419.485 3.540 20 5 HHBDHN COc1ccc(CN(C)C)cc1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000532896854 1007274483 /nfs/dbraw/zinc/27/44/83/1007274483.db2.gz HMJMTTTUHHCUPI-UHFFFAOYSA-N 0 3 408.252 3.680 20 5 HHBDHN Cc1ccc(OC2CCN(CCCn3c4cc([N+](=O)[O-])ccc4oc3=O)CC2)cc1 ZINC000532975034 1007344696 /nfs/dbraw/zinc/34/46/96/1007344696.db2.gz HZHALCWUESPDBN-UHFFFAOYSA-N 0 3 411.458 3.745 20 5 HHBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000535312851 1007364116 /nfs/dbraw/zinc/36/41/16/1007364116.db2.gz IIDFLTHBUBOIHK-LJQANCHMSA-N 0 3 420.473 3.854 20 5 HHBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H]1c1nnc(-c2ccccc2)[n-]1 ZINC000535312851 1007364131 /nfs/dbraw/zinc/36/41/31/1007364131.db2.gz IIDFLTHBUBOIHK-LJQANCHMSA-N 0 3 420.473 3.854 20 5 HHBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H]1c1nnc(-c2ccccc2)[n-]1 ZINC000535312851 1007364147 /nfs/dbraw/zinc/36/41/47/1007364147.db2.gz IIDFLTHBUBOIHK-LJQANCHMSA-N 0 3 420.473 3.854 20 5 HHBDHN CN(C)CCN(Cc1cccc(O)c1)C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000535641074 1007646474 /nfs/dbraw/zinc/64/64/74/1007646474.db2.gz YJRIIEMPJYMLEV-UHFFFAOYSA-N 0 3 411.380 3.523 20 5 HHBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC(Oc2ccc(F)cc2)CC1 ZINC000533435982 1007749588 /nfs/dbraw/zinc/74/95/88/1007749588.db2.gz GITAIZLQNKBZET-UHFFFAOYSA-N 0 3 417.437 3.615 20 5 HHBDHN CN(C)CCN(CCCc1ccccc1)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000536095060 1008117311 /nfs/dbraw/zinc/11/73/11/1008117311.db2.gz JECRVYQGXWEYKG-UHFFFAOYSA-N 0 3 408.502 3.642 20 5 HHBDHN CC(=O)N1CC[C@@H](CN(C)Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000539898070 1008171439 /nfs/dbraw/zinc/17/14/39/1008171439.db2.gz JXBDPOKGWSXOOZ-KRWDZBQOSA-N 0 3 401.438 3.826 20 5 HHBDHN C[C@@H]1CCCN(c2ccc(C(=O)N3CC[C@H](N4CCCCC4)C3)cc2[N+](=O)[O-])C1 ZINC000518620657 1008368339 /nfs/dbraw/zinc/36/83/39/1008368339.db2.gz VVCSOWKXGWFGDC-MJGOQNOKSA-N 0 3 400.523 3.532 20 5 HHBDHN COc1ccc(NC(=O)[C@@H](C)N[C@@H](C)c2cccc(N3CCCC3)c2)c([N+](=O)[O-])c1 ZINC000540478882 1008447819 /nfs/dbraw/zinc/44/78/19/1008447819.db2.gz QBSHNTFIOBTXHS-JKSUJKDBSA-N 0 3 412.490 3.881 20 5 HHBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)c1 ZINC000549086543 1008651377 /nfs/dbraw/zinc/65/13/77/1008651377.db2.gz UBLOALBLORMNEH-UHFFFAOYSA-N 0 3 415.412 3.529 20 5 HHBDHN COc1cc(CN[C@@H](C)[C@@H]2COc3ccccc32)c([N+](=O)[O-])cc1OCC(F)F ZINC000543553726 1009157385 /nfs/dbraw/zinc/15/73/85/1009157385.db2.gz VEXVPBFZENYMID-WFASDCNBSA-N 0 3 408.401 3.902 20 5 HHBDHN C[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H](C)c1nc2ccccc2s1 ZINC000543599152 1009203863 /nfs/dbraw/zinc/20/38/63/1009203863.db2.gz QIYOJSUCOVQGLS-UONOGXRCSA-N 0 3 419.528 3.760 20 5 HHBDHN CN(C)C[C@H](NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)c1ccc(Cl)cc1 ZINC000549616431 1009244258 /nfs/dbraw/zinc/24/42/58/1009244258.db2.gz BUNPYDVHCQTLSW-SFHVURJKSA-N 0 3 400.866 3.622 20 5 HHBDHN CN(C)C[C@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000549618744 1009247496 /nfs/dbraw/zinc/24/74/96/1009247496.db2.gz XBJSYVHZOBIOBO-SFHVURJKSA-N 0 3 416.909 3.881 20 5 HHBDHN C[C@H](Cc1c(Cl)cccc1Cl)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000544568760 1010198235 /nfs/dbraw/zinc/19/82/35/1010198235.db2.gz DBDXRTLZQDPQDD-GFCCVEGCSA-N 0 3 417.314 3.896 20 5 HHBDHN Cc1cc([N+](=O)[O-])ccc1CNCc1cc(C(F)(F)F)ccc1N1CCN(C)CC1 ZINC000544591446 1010217135 /nfs/dbraw/zinc/21/71/35/1010217135.db2.gz BOYMIKTVEPTXRZ-UHFFFAOYSA-N 0 3 422.451 3.964 20 5 HHBDHN CS[C@@H]1CN(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)C[C@H]1N(C)C ZINC000544790412 1010385979 /nfs/dbraw/zinc/38/59/79/1010385979.db2.gz IZBSFWFODZNNAX-RTBURBONSA-N 0 3 416.503 3.896 20 5 HHBDHN CCN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000544894358 1010471215 /nfs/dbraw/zinc/47/12/15/1010471215.db2.gz PZINXFJWCBKPIE-HXUWFJFHSA-N 0 3 407.474 3.741 20 5 HHBDHN O=C(Nc1cccc(CN2CCC(O)CC2)c1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000551454267 1010594805 /nfs/dbraw/zinc/59/48/05/1010594805.db2.gz ABYBTSZUKYLBAC-UHFFFAOYSA-N 0 3 423.391 3.823 20 5 HHBDHN C[C@H](CNC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])N(C)Cc1ccccc1 ZINC000521957152 1010735848 /nfs/dbraw/zinc/73/58/48/1010735848.db2.gz UIUCPLWEXUCGTR-CABCVRRESA-N 0 3 405.882 3.652 20 5 HHBDHN CC1CCC(N2CCN(C(=O)Nc3cc([N+](=O)[O-])ccc3OC(F)F)CC2)CC1 ZINC000522433275 1011008447 /nfs/dbraw/zinc/00/84/47/1011008447.db2.gz QMZAMGYARKJMQG-UHFFFAOYSA-N 0 3 412.437 3.924 20 5 HHBDHN COCCN1CCC[C@H]1CNC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000522784254 1011218259 /nfs/dbraw/zinc/21/82/59/1011218259.db2.gz XAVVVWHAWFQOAL-SFHVURJKSA-N 0 3 414.462 3.619 20 5 HHBDHN O=C(NC1CCN(CCOc2ccc(Cl)cc2)CC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000522911647 1011357229 /nfs/dbraw/zinc/35/72/29/1011357229.db2.gz DLSGWGFJGLYRFV-UHFFFAOYSA-N 0 3 421.856 3.661 20 5 HHBDHN COc1ccc(NC(=O)[C@@H](C)N[C@H](C)c2ccc(-n3ccnc3C)cc2)c([N+](=O)[O-])c1 ZINC000541023608 1011658072 /nfs/dbraw/zinc/65/80/72/1011658072.db2.gz DARCMBLABUOFQS-HUUCEWRRSA-N 0 3 423.473 3.775 20 5 HHBDHN COC(=O)C[C@@H]1CCCN1Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000536659824 1011808138 /nfs/dbraw/zinc/80/81/38/1011808138.db2.gz IBIYJZLSFHTBLD-IBGZPJMESA-N 0 3 414.458 3.710 20 5 HHBDHN COC(=O)[C@@]1(C)CCN(Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000536664910 1011816139 /nfs/dbraw/zinc/81/61/39/1011816139.db2.gz WELDLPUJWNQYJE-QFIPXVFZSA-N 0 3 414.458 3.567 20 5 HHBDHN COc1cc(CN[C@H]2CCO[C@H](C(C)C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000536756404 1011947778 /nfs/dbraw/zinc/94/77/78/1011947778.db2.gz PKCWCJMXKUDLJH-ZFWWWQNUSA-N 0 3 406.401 3.838 20 5 HHBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000541280970 1011973897 /nfs/dbraw/zinc/97/38/97/1011973897.db2.gz ANHHCPBLRJNCFF-SJORKVTESA-N 0 3 420.893 3.779 20 5 HHBDHN C[C@H](N[C@H]1CCN(c2cnn(C)c2)C1=O)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000536859959 1012094788 /nfs/dbraw/zinc/09/47/88/1012094788.db2.gz XTCQATCNOLPBCC-BBRMVZONSA-N 0 3 411.487 3.513 20 5 HHBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCN(c3ccnc4ccccc43)CC2)c1 ZINC000552147524 1012167592 /nfs/dbraw/zinc/16/75/92/1012167592.db2.gz KLPLFEQKYFUZTI-UHFFFAOYSA-N 0 3 408.483 3.827 20 5 HHBDHN O=[N+]([O-])c1ccc(-c2ccc(CN[C@H](C3CC3)[C@]3(CO)CCCO3)o2)c(Cl)c1 ZINC000552146939 1012168450 /nfs/dbraw/zinc/16/84/50/1012168450.db2.gz DZZGQJDYEBKRMK-WOJBJXKFSA-N 0 3 406.866 3.918 20 5 HHBDHN O=C(CN[C@@H](c1cccc(F)c1)C1CCCC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000537130772 1012514760 /nfs/dbraw/zinc/51/47/60/1012514760.db2.gz YVMWQYSMTBBCMV-OAQYLSRUSA-N 0 3 415.421 3.922 20 5 HHBDHN C[C@H](C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000541719810 1012571245 /nfs/dbraw/zinc/57/12/45/1012571245.db2.gz JXMSHVNOKLXEQR-GJZGRUSLSA-N 0 3 400.454 3.574 20 5 HHBDHN Cc1c(NC(=O)[C@@H](C)N[C@@H](c2ccc3c(c2)OCCO3)C2CC2)cccc1[N+](=O)[O-] ZINC000537290486 1012749757 /nfs/dbraw/zinc/74/97/57/1012749757.db2.gz JYGLPKWDLVSJQM-SPLOXXLWSA-N 0 3 411.458 3.742 20 5 HHBDHN CC[C@H]1CN(C)CCCN1C(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000590345059 1073750008 /nfs/dbraw/zinc/75/00/08/1073750008.db2.gz KLHLLWYIWZDTLD-WMZOPIPTSA-N 0 3 411.506 3.719 20 5 HHBDHN O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1NC1CCN(CC2CCCC2)CC1 ZINC000301250774 970832533 /nfs/dbraw/zinc/83/25/33/970832533.db2.gz PQFSGRZRVSWBPF-UHFFFAOYSA-N 0 3 417.478 3.658 20 5 HHBDHN COc1ccc([C@@H](CNc2nc3sccn3c2[N+](=O)[O-])N2CCCCC2)cc1 ZINC000302810794 971330717 /nfs/dbraw/zinc/33/07/17/971330717.db2.gz WDRYGWCOFIZWMF-MRXNPFEDSA-N 0 3 401.492 3.952 20 5 HHBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000303027542 971464108 /nfs/dbraw/zinc/46/41/08/971464108.db2.gz WHMZWHRTDQTYHP-AWEZNQCLSA-N 0 3 423.485 3.944 20 5 HHBDHN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H](c2cccs2)N2CCC(C)CC2)n1 ZINC000553251892 1013218486 /nfs/dbraw/zinc/21/84/86/1013218486.db2.gz OFWRXDWYDRJDPW-INIZCTEOSA-N 0 3 404.492 3.723 20 5 HHBDHN C[C@H]1CN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CCN(C2CCC2)C1 ZINC000553526218 1013425852 /nfs/dbraw/zinc/42/58/52/1013425852.db2.gz UXXPCZXUNSWVNR-CQSZACIVSA-N 0 3 400.504 3.665 20 5 HHBDHN Cc1csc(Sc2ccc(C(=O)NC[C@@H](C)N3CCCC3)cc2[N+](=O)[O-])n1 ZINC000050171392 964280595 /nfs/dbraw/zinc/28/05/95/964280595.db2.gz AGWQDYUIZDIKEW-CYBMUJFWSA-N 0 3 406.533 3.725 20 5 HHBDHN CN(C)CCN(Cc1ccccc1)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000050628491 964366971 /nfs/dbraw/zinc/36/69/71/964366971.db2.gz ALRPXQADLTXEOF-UHFFFAOYSA-N 0 3 410.499 3.922 20 5 HHBDHN CC(C)[C@@H](CNC(=O)CSc1ccc([N+](=O)[O-])cc1)N1CCc2ccccc2C1 ZINC000025917405 964390734 /nfs/dbraw/zinc/39/07/34/964390734.db2.gz RORFHQLYCSPZOK-OAQYLSRUSA-N 0 3 413.543 3.886 20 5 HHBDHN C[C@H](C(=O)N(CCN(C)C)Cc1ccc(F)cc1F)c1ccc([N+](=O)[O-])cc1F ZINC000542551596 1013494942 /nfs/dbraw/zinc/49/49/42/1013494942.db2.gz SGAWAWGMSTVTHX-ZDUSSCGKSA-N 0 3 409.408 3.706 20 5 HHBDHN CCOc1cccc2cc([C@@H](C)NC[C@@H](O)COc3ccccc3[N+](=O)[O-])oc21 ZINC000542586789 1013526838 /nfs/dbraw/zinc/52/68/38/1013526838.db2.gz HNNKEPWASFVDBC-GDBMZVCRSA-N 0 3 400.431 3.830 20 5 HHBDHN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@@H](C)CN2CCCCC2)cc1 ZINC000027766768 964966652 /nfs/dbraw/zinc/96/66/52/964966652.db2.gz JYCBCCOEWZFTEW-INIZCTEOSA-N 0 3 413.474 4.000 20 5 HHBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CC=C(c3c[nH]c4cc(F)ccc43)CC2)c1 ZINC000052823784 964993431 /nfs/dbraw/zinc/99/34/31/964993431.db2.gz DBCBDYVADFQONC-SFHVURJKSA-N 0 3 411.433 3.744 20 5 HHBDHN Cn1cc(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000052960124 965031658 /nfs/dbraw/zinc/03/16/58/965031658.db2.gz NJQNHVPDTQCYSW-NRFANRHFSA-N 0 3 419.485 3.562 20 5 HHBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCCNC(=O)c1cccc(Br)c1 ZINC000537978613 1013554647 /nfs/dbraw/zinc/55/46/47/1013554647.db2.gz AOSSSPQJOALYNX-CYBMUJFWSA-N 0 3 406.280 3.746 20 5 HHBDHN Cc1c([C@@H](C)NCCNC(=O)c2cccc(Br)c2)cccc1[N+](=O)[O-] ZINC000537978775 1013554697 /nfs/dbraw/zinc/55/46/97/1013554697.db2.gz GSEVDOYPZJEZHC-CYBMUJFWSA-N 0 3 406.280 3.746 20 5 HHBDHN CN(C)CCN(Cc1ccc(Br)cc1)C(=O)c1csc([N+](=O)[O-])c1 ZINC000056997043 965244222 /nfs/dbraw/zinc/24/42/22/965244222.db2.gz HQDDAFCIIQUUMY-UHFFFAOYSA-N 0 3 412.309 3.623 20 5 HHBDHN Cc1csc(Sc2ccc(C(=O)NCCN3CCCCC3)cc2[N+](=O)[O-])n1 ZINC000060665929 966250418 /nfs/dbraw/zinc/25/04/18/966250418.db2.gz OIHLTHJPFHROMZ-UHFFFAOYSA-N 0 3 406.533 3.727 20 5 HHBDHN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](NC[C@@H]1CCCOC1)c1ccccc1 ZINC000056205929 966258023 /nfs/dbraw/zinc/25/80/23/966258023.db2.gz QASWZAXYXJVVDT-IFXJQAMLSA-N 0 3 403.866 3.944 20 5 HHBDHN CSc1ccc(C(=O)c2ccccc2C(=O)NCC(C)(C)N(C)C)cc1[N+](=O)[O-] ZINC000042158991 966734139 /nfs/dbraw/zinc/73/41/39/966734139.db2.gz XNYCIUQQSYZQIO-UHFFFAOYSA-N 0 3 415.515 3.618 20 5 HHBDHN O=C(NCCCN1CCc2ccccc2C1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000538125814 1013688194 /nfs/dbraw/zinc/68/81/94/1013688194.db2.gz ZTFBSVMKZNRUGC-UHFFFAOYSA-N 0 3 416.481 3.835 20 5 HHBDHN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000064421351 967181802 /nfs/dbraw/zinc/18/18/02/967181802.db2.gz DUZUFMZKBQUJFK-MPGHIAIKSA-N 0 3 417.893 3.967 20 5 HHBDHN COc1ccc([C@@H](CNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])N2CCCC2)cc1 ZINC000071817778 968864623 /nfs/dbraw/zinc/86/46/23/968864623.db2.gz RTZLASGJKZGYFZ-JOCHJYFZSA-N 0 3 424.501 3.745 20 5 HHBDHN CN(C)CCN(Cc1ccc(Br)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000072025408 968939940 /nfs/dbraw/zinc/93/99/40/968939940.db2.gz ZHDMLXNYYCCBNB-UHFFFAOYSA-N 0 3 421.295 3.953 20 5 HHBDHN O=C(NCc1ccc([N+](=O)[O-])cc1)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000110118911 969626120 /nfs/dbraw/zinc/62/61/20/969626120.db2.gz GRIYUELUIFZQAZ-LJQANCHMSA-N 0 3 407.392 3.666 20 5 HHBDHN CN(C)[C@H](CNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)c1cccc(F)c1 ZINC000111221549 969809203 /nfs/dbraw/zinc/80/92/03/969809203.db2.gz DYZJVFUZWPYTFA-HXUWFJFHSA-N 0 3 400.454 3.685 20 5 HHBDHN COCCN1CCC(NC(=O)c2ccc(SCCC(C)C)c([N+](=O)[O-])c2)CC1 ZINC000138544582 970001574 /nfs/dbraw/zinc/00/15/74/970001574.db2.gz UZUTUAMJCGRWEV-UHFFFAOYSA-N 0 3 409.552 3.574 20 5 HHBDHN CCC(CC)[C@H](CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCOCC1 ZINC000236699347 970157577 /nfs/dbraw/zinc/15/75/77/970157577.db2.gz SZHHKASFEFPFRC-FQEVSTJZSA-N 0 3 418.563 3.945 20 5 HHBDHN COc1cc(CNCc2ccc(C(N)=O)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237309249 970259912 /nfs/dbraw/zinc/25/99/12/970259912.db2.gz KICIKDQDFMKBLW-UHFFFAOYSA-N 0 3 421.453 3.571 20 5 HHBDHN O=[N+]([O-])c1cccc(-c2nc(CNC[C@@H]3CCN(CC(F)(F)F)C3)cs2)c1 ZINC000237862681 970384896 /nfs/dbraw/zinc/38/48/96/970384896.db2.gz PXGUUXIRECOZFA-LBPRGKRZSA-N 0 3 400.426 3.692 20 5 HHBDHN O=[N+]([O-])c1cccc(-c2nc(CNC3CCN(Cc4ccccn4)CC3)cs2)c1 ZINC000238005616 970416737 /nfs/dbraw/zinc/41/67/37/970416737.db2.gz QHAPGZCAERRFDI-UHFFFAOYSA-N 0 3 409.515 3.868 20 5 HHBDHN O=C1COc2ccccc2N1CCCNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000238102225 970439860 /nfs/dbraw/zinc/43/98/60/970439860.db2.gz GAGGQTUPWGBCKL-UHFFFAOYSA-N 0 3 424.482 3.624 20 5 HHBDHN C[C@]1(NC(=O)c2cc([N+](=O)[O-])ccc2Br)CCN(Cc2ccccc2)C1 ZINC000406053245 972888644 /nfs/dbraw/zinc/88/86/44/972888644.db2.gz ITHWCHZRIYZNIF-IBGZPJMESA-N 0 3 418.291 3.752 20 5 HHBDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000409454286 972898519 /nfs/dbraw/zinc/89/85/19/972898519.db2.gz CNIIQKDRINMRTB-QFBILLFUSA-N 0 3 419.485 3.561 20 5 HHBDHN CN1CC[C@@H](NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)[C@@H]1c1ccccc1 ZINC000425980864 974091262 /nfs/dbraw/zinc/09/12/62/974091262.db2.gz PGMXQKZNHHJAJE-MSOLQXFVSA-N 0 3 422.407 3.858 20 5 HHBDHN C[C@@H]1CN(CCC2CCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4o3)CC2)C[C@@H](C)O1 ZINC000427319349 975049446 /nfs/dbraw/zinc/04/94/46/975049446.db2.gz FXEUKYVKNGSQCN-HZPDHXFCSA-N 0 3 415.490 3.693 20 5 HHBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000429220283 976514216 /nfs/dbraw/zinc/51/42/16/976514216.db2.gz NGDIAXYFEBEXOZ-IAGOWNOFSA-N 0 3 404.511 3.646 20 5 HHBDHN CC(C)(C(=O)NCCCCN1CCN(c2ccccc2)CC1)c1ccccc1[N+](=O)[O-] ZINC000429902442 977177984 /nfs/dbraw/zinc/17/79/84/977177984.db2.gz MKNSTHCGEJCRDF-UHFFFAOYSA-N 0 3 424.545 3.591 20 5 HHBDHN CCOc1cc(CN2CC(C)=C[C@@H](C)C2)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000430869130 977832337 /nfs/dbraw/zinc/83/23/37/977832337.db2.gz PMCZBLSHXMKGPM-MRXNPFEDSA-N 0 3 414.506 3.975 20 5 HHBDHN O=C(NC[C@H](c1ccccc1)N1CCCC1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000431173200 978073334 /nfs/dbraw/zinc/07/33/34/978073334.db2.gz OWTDEFKIKZCJIF-GOSISDBHSA-N 0 3 418.291 3.924 20 5 HHBDHN O=[N+]([O-])c1cccc(Cl)c1N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000432341850 978768104 /nfs/dbraw/zinc/76/81/04/978768104.db2.gz ZUMDMCBATSDFBD-KRWDZBQOSA-N 0 3 415.925 3.682 20 5 HHBDHN COc1ccc(NC(=O)[C@H](C)SCCN(C)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000433049556 979051923 /nfs/dbraw/zinc/05/19/23/979051923.db2.gz VURFULBCFIZTNE-HNNXBMFYSA-N 0 3 403.504 3.796 20 5 HHBDHN O=C(N[C@@H]1CCN(C2CCCC2)C1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000436417932 981357997 /nfs/dbraw/zinc/35/79/97/981357997.db2.gz GOOONCOKICLQNS-CQSZACIVSA-N 0 3 411.452 3.706 20 5 HHBDHN CN(C)CCN(Cc1cccc(F)c1)C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437195649 981852981 /nfs/dbraw/zinc/85/29/81/981852981.db2.gz ASTPTGVGUQVWKP-UHFFFAOYSA-N 0 3 413.371 3.957 20 5 HHBDHN CC(C)N1CCN(c2ccc(C(=O)N(Cc3ccccc3[N+](=O)[O-])C3CC3)cc2)CC1 ZINC000437484511 982112132 /nfs/dbraw/zinc/11/21/32/982112132.db2.gz VOANTWCZDSGFPH-UHFFFAOYSA-N 0 3 422.529 3.930 20 5 HHBDHN O=C(NCCCN1CCc2ccccc2C1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437921091 982463975 /nfs/dbraw/zinc/46/39/75/982463975.db2.gz SSCJBIRKBVSESG-UHFFFAOYSA-N 0 3 408.502 3.717 20 5 HHBDHN CCC[C@@H](NCc1ccc(N2CCCS2(=O)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000461082625 982778682 /nfs/dbraw/zinc/77/86/82/982778682.db2.gz ITHGXAWNPRAUCD-HXUWFJFHSA-N 0 3 403.504 3.766 20 5 HHBDHN Cc1csc(Sc2ccc(C(=O)N(CCN(C)C)C(C)C)cc2[N+](=O)[O-])n1 ZINC000439631724 983477848 /nfs/dbraw/zinc/47/78/48/983477848.db2.gz BTTBCLYYULNMHZ-UHFFFAOYSA-N 0 3 408.549 3.923 20 5 HHBDHN Cc1csc(Sc2ccc(C(=O)N[C@@H]3C[C@@H](C)N(C4CC4)C3)cc2[N+](=O)[O-])n1 ZINC000440912692 983968819 /nfs/dbraw/zinc/96/88/19/983968819.db2.gz JIHWBBCGEKBDCU-TZMCWYRMSA-N 0 3 418.544 3.866 20 5 HHBDHN C[C@@H](O)CN(Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000441269266 984149584 /nfs/dbraw/zinc/14/95/84/984149584.db2.gz LYOUHOFWCUSDEH-LSDHHAIUSA-N 0 3 420.893 3.929 20 5 HHBDHN COCCN1CCC[C@H]1CNC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000442739414 985196311 /nfs/dbraw/zinc/19/63/11/985196311.db2.gz JWZMVFKHRMNWCV-INIZCTEOSA-N 0 3 415.515 3.587 20 5 HHBDHN CCOC(=O)c1ccnc(NC[C@H]2CCCN(C)[C@@H]2c2cccs2)c1[N+](=O)[O-] ZINC000462869882 985794873 /nfs/dbraw/zinc/79/48/73/985794873.db2.gz IUNMTIDYEGZPIH-CJNGLKHVSA-N 0 3 404.492 3.723 20 5 HHBDHN CC1CC[NH+](C2CCC([N-]S(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])CC2)CC1 ZINC000443747944 985963026 /nfs/dbraw/zinc/96/30/26/985963026.db2.gz OCVLTGRYSFASHM-UHFFFAOYSA-N 0 3 415.943 3.570 20 5 HHBDHN CN1CCC(N(Cc2ccco2)C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000443813221 986009311 /nfs/dbraw/zinc/00/93/11/986009311.db2.gz RVMPXMJXJICOPG-UHFFFAOYSA-N 0 3 411.380 3.943 20 5 HHBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000443952360 986159735 /nfs/dbraw/zinc/15/97/35/986159735.db2.gz WOJBRVQKOWPWAM-IRXDYDNUSA-N 0 3 418.538 3.955 20 5 HHBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(CN2CCSCC2)c1C ZINC000444038297 986236303 /nfs/dbraw/zinc/23/63/03/986236303.db2.gz XZDKKQSWECGRPB-UHFFFAOYSA-N 0 3 421.544 3.561 20 5 HHBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCc1cccc(C(=O)NC[C@@H]2CCCO2)c1 ZINC000468642490 986357431 /nfs/dbraw/zinc/35/74/31/986357431.db2.gz RVYMRBSHXMFXKY-AAKHDSTQSA-N 0 3 409.486 3.697 20 5 HHBDHN C[C@H](N[C@@H]1CC(C)(C)OC1(C)C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000444644824 986829613 /nfs/dbraw/zinc/82/96/13/986829613.db2.gz YHCXLPMYFHAAST-BLLLJJGKSA-N 0 3 418.519 3.981 20 5 HHBDHN COC(=O)[C@H]1CCN(Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)[C@H]1C ZINC000470156131 988066771 /nfs/dbraw/zinc/06/67/71/988066771.db2.gz JKYHWYNIXGUOBC-KXBFYZLASA-N 0 3 414.458 3.566 20 5 HHBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000463963380 988076027 /nfs/dbraw/zinc/07/60/27/988076027.db2.gz GZPSBNIOZHQQOG-HDICACEKSA-N 0 3 418.538 3.955 20 5 HHBDHN CN(C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000470666174 988687177 /nfs/dbraw/zinc/68/71/77/988687177.db2.gz FHIFHBIINVYWIF-QFIPXVFZSA-N 0 3 419.485 3.517 20 5 HHBDHN C[C@@H]1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CCN1Cc1ccccc1 ZINC000464836560 989079365 /nfs/dbraw/zinc/07/93/65/989079365.db2.gz KMKJEHGJPOJCPM-QGZVFWFLSA-N 0 3 407.474 3.741 20 5 HHBDHN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000465233565 989583555 /nfs/dbraw/zinc/58/35/55/989583555.db2.gz JTGCFHIEXNYIHD-WBVHZDCISA-N 0 3 411.458 3.704 20 5 HHBDHN COc1ccc(CSCC(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)cc1[N+](=O)[O-] ZINC000471554810 989755059 /nfs/dbraw/zinc/75/50/59/989755059.db2.gz JJHPYHVJHOHJOS-VFNWGFHPSA-N 0 3 417.531 3.644 20 5 HHBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(N2CCN(CC)CC2)c1 ZINC000471633991 989841233 /nfs/dbraw/zinc/84/12/33/989841233.db2.gz LZMRMAPCXZVXHG-LJQANCHMSA-N 0 3 410.518 3.944 20 5 HHBDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000467215296 992539919 /nfs/dbraw/zinc/53/99/19/992539919.db2.gz GWPVDRSVQZGJRU-KUHUBIRLSA-N 0 3 402.882 3.568 20 5 HHBDHN CCN(CC)CCN(Cc1cccs1)S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000467258656 992581237 /nfs/dbraw/zinc/58/12/37/992581237.db2.gz JZTPBAJSQGDUHP-UHFFFAOYSA-N 0 3 417.578 3.559 20 5 HHBDHN C[C@H]1C[C@H](NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CN1Cc1ccccc1 ZINC000467691104 992946529 /nfs/dbraw/zinc/94/65/29/992946529.db2.gz LXGKCMPGTWJEAG-RXVVDRJESA-N 0 3 422.529 3.590 20 5 HHBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCCC[C@@H]1CNC(=O)c1ccccc1 ZINC000472285135 993302334 /nfs/dbraw/zinc/30/23/34/993302334.db2.gz WTJHOAQVVCRAEH-HXUWFJFHSA-N 0 3 424.501 3.516 20 5 HHBDHN CC[C@@H]1CN(C(C)=O)[C@H](CC)CN1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000472330164 993339314 /nfs/dbraw/zinc/33/93/14/993339314.db2.gz UBWVZQCMJIATMM-QZTJIDSGSA-N 0 3 400.479 3.514 20 5 HHBDHN CCC[C@H](NCc1ccc(N2CCCS2(=O)=O)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000480714298 993584094 /nfs/dbraw/zinc/58/40/94/993584094.db2.gz YIVTXRSAHUKZQE-IBGZPJMESA-N 0 3 421.494 3.905 20 5 HHBDHN COc1ccc(C(=O)Nc2cc(C)cc(N3CCN(C(C)C)CC3)c2)cc1[N+](=O)[O-] ZINC000481625506 994489402 /nfs/dbraw/zinc/48/94/02/994489402.db2.gz DIODUUVVMOOWON-UHFFFAOYSA-N 0 3 412.490 3.695 20 5 HHBDHN COC(=O)COc1ccc(CN[C@@H](C)c2cccc(N3CCCC3)c2)cc1[N+](=O)[O-] ZINC000474363624 995344048 /nfs/dbraw/zinc/34/40/48/995344048.db2.gz VYGGVWQRYALBTB-INIZCTEOSA-N 0 3 413.474 3.598 20 5 HHBDHN COc1cc(CNC[C@](C)(O)C2CCCCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000483428770 996173123 /nfs/dbraw/zinc/17/31/23/996173123.db2.gz OMZXYFMCYJMYFB-IBGZPJMESA-N 0 3 402.438 3.668 20 5 HHBDHN CC[C@@H](C)N[C@@H](CNC(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1C)c1ccco1 ZINC000483548327 996244064 /nfs/dbraw/zinc/24/40/64/996244064.db2.gz KQRGEDAOWVNYHW-WBMJQRKESA-N 0 3 418.450 3.534 20 5 HHBDHN COc1cc(CN[C@@H]2CCc3cnn(C(C)C)c3C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000483623236 996292222 /nfs/dbraw/zinc/29/22/22/996292222.db2.gz JWXMAXZJFTVLIZ-OAHLLOKOSA-N 0 3 424.448 3.672 20 5 HHBDHN Cc1c(CNC(=O)Nc2ccc(CCN3CCSCC3)cc2)cccc1[N+](=O)[O-] ZINC000483728064 996353272 /nfs/dbraw/zinc/35/32/72/996353272.db2.gz HIHHWFOUMMXYFO-UHFFFAOYSA-N 0 3 414.531 3.816 20 5 HHBDHN CC1(C)CN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CC[C@@H]1C(F)(F)F ZINC000484362783 996730636 /nfs/dbraw/zinc/73/06/36/996730636.db2.gz UGPWLESJQVRFCG-HNNXBMFYSA-N 0 3 401.385 3.803 20 5 HHBDHN Cc1ccccc1O[C@H]1CCCC[C@@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000484634922 996970380 /nfs/dbraw/zinc/97/03/80/996970380.db2.gz HQCBDPTVMQYXHJ-FPOVZHCZSA-N 0 3 418.515 3.657 20 5 HHBDHN CC(C)c1n[n-]c(C(=O)NC[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1[N+](=O)[O-] ZINC000476977560 997598137 /nfs/dbraw/zinc/59/81/37/997598137.db2.gz AGJGDRWJMNBMQB-PXAZEXFGSA-N 0 3 423.876 3.657 20 5 HHBDHN CC(C)c1n[n-]c(C(=O)NC[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1[N+](=O)[O-] ZINC000476977560 997598141 /nfs/dbraw/zinc/59/81/41/997598141.db2.gz AGJGDRWJMNBMQB-PXAZEXFGSA-N 0 3 423.876 3.657 20 5 HHBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000485843233 998307971 /nfs/dbraw/zinc/30/79/71/998307971.db2.gz JRXMIUPAAXULNM-IYBDPMFKSA-N 0 3 421.563 3.668 20 5 HHBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000477933635 998666400 /nfs/dbraw/zinc/66/64/00/998666400.db2.gz TWFGBWTXLIEUSR-ZWKOTPCHSA-N 0 3 417.506 3.995 20 5 HHBDHN O=C(NC1CC(N2CCCCC2)C1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000477961091 998683200 /nfs/dbraw/zinc/68/32/00/998683200.db2.gz DXEVMJUBYJGYPE-UHFFFAOYSA-N 0 3 411.452 3.706 20 5 HHBDHN COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000486423654 998760179 /nfs/dbraw/zinc/76/01/79/998760179.db2.gz SHBGTGJZZWGVBC-IBGZPJMESA-N 0 3 417.531 3.674 20 5 HHBDHN CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C[C@H]1N(C)C ZINC000478448011 998964423 /nfs/dbraw/zinc/96/44/23/998964423.db2.gz IPCOGNYGDZUCPB-MJGOQNOKSA-N 0 3 401.488 3.505 20 5 HHBDHN CN(CCN(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])n1C)Cc1ccccc1 ZINC000487479524 999192702 /nfs/dbraw/zinc/19/27/02/999192702.db2.gz OEXXNFIOUWJJNN-UHFFFAOYSA-N 0 3 406.486 3.708 20 5 HHBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000487956497 999327795 /nfs/dbraw/zinc/32/77/95/999327795.db2.gz NEBPUZBQZSQUOJ-VOBQZIQPSA-N 0 3 413.474 3.766 20 5 HHBDHN COc1cc(C(=O)N2CCCN(CCCc3ccccc3)CC2)cc([N+](=O)[O-])c1C ZINC000480046514 999700052 /nfs/dbraw/zinc/70/00/52/999700052.db2.gz FYKIAOXPVJBLGL-UHFFFAOYSA-N 0 3 411.502 3.693 20 5 HHBDHN Cc1ccc([C@H](C)NC(=O)NCC2(N3CCSCC3)CCCC2)cc1[N+](=O)[O-] ZINC000489292960 999738811 /nfs/dbraw/zinc/73/88/11/999738811.db2.gz FLYYLQOVWPYGQP-INIZCTEOSA-N 0 3 406.552 3.625 20 5 HHBDHN O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000489733844 999827547 /nfs/dbraw/zinc/82/75/47/999827547.db2.gz AEGXWPHFQHAWJD-HXUWFJFHSA-N 0 3 408.502 3.933 20 5 HHBDHN CC[C@@H](NC(=O)N(CCN(C)C)Cc1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC000489968924 999870777 /nfs/dbraw/zinc/87/07/77/999870777.db2.gz UZAXWIJHFMSZBU-HXUWFJFHSA-N 0 3 402.470 3.958 20 5 HHBDHN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NC1CCN(CCOC(C)C)CC1 ZINC000491110532 1000046368 /nfs/dbraw/zinc/04/63/68/1000046368.db2.gz QSORIRLHYXDKOK-UHFFFAOYSA-N 0 3 423.579 3.962 20 5 HHBDHN O=C(NCCN1CCCC1)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000493439312 1000173660 /nfs/dbraw/zinc/17/36/60/1000173660.db2.gz FIDYPOHFIUZDOC-UHFFFAOYSA-N 0 3 402.882 3.686 20 5 HHBDHN COc1cc(CNCC[C@@H]2COc3ccccc3O2)c([N+](=O)[O-])cc1OCC(F)F ZINC000493762306 1000190679 /nfs/dbraw/zinc/19/06/79/1000190679.db2.gz GKZFXZSTIGDRBU-CQSZACIVSA-N 0 3 424.400 3.567 20 5 HHBDHN C[C@H]1[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Br)CCN1Cc1ccccc1 ZINC000494020226 1000272013 /nfs/dbraw/zinc/27/20/13/1000272013.db2.gz XUCMEQSPMUBVHG-SCLBCKFNSA-N 0 3 418.291 3.750 20 5 HHBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])N[C@H](Cc1ccccc1)C(=O)N(C)C ZINC000504920696 1000449687 /nfs/dbraw/zinc/44/96/87/1000449687.db2.gz PNXSCUSZRCBPDO-ZWKOTPCHSA-N 0 3 401.532 3.755 20 5 HHBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC(c2noc(C(C)C)n2)CC1 ZINC000505196267 1000611568 /nfs/dbraw/zinc/61/15/68/1000611568.db2.gz HWQUMQLMYIWNEU-UHFFFAOYSA-N 0 3 401.467 3.618 20 5 HHBDHN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000505487615 1000813562 /nfs/dbraw/zinc/81/35/62/1000813562.db2.gz JINSHMRRZNQAOA-GOSISDBHSA-N 0 3 401.532 4.000 20 5 HHBDHN C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)[C@H](c1ccccc1)N(C)C ZINC000505581221 1000919388 /nfs/dbraw/zinc/91/93/88/1000919388.db2.gz LOXBBSGIACEYPC-BFUOFWGJSA-N 0 3 420.307 3.707 20 5 HHBDHN CCOc1ccc(C(=O)N(Cc2ccncc2)C[C@H]2CCCN2CC)cc1[N+](=O)[O-] ZINC000496242348 1001144462 /nfs/dbraw/zinc/14/44/62/1001144462.db2.gz FHZHNAITKOCZHM-LJQANCHMSA-N 0 3 412.490 3.515 20 5 HHBDHN COc1cc([N+](=O)[O-])c(C(=O)N(CCN(C)C)Cc2ccccc2)cc1SC ZINC000497571956 1001441063 /nfs/dbraw/zinc/44/10/63/1001441063.db2.gz VGZTWLLAFFWVDJ-UHFFFAOYSA-N 0 3 403.504 3.529 20 5 HHBDHN CC[C@@H](CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)N1CCc2ccccc2C1 ZINC000498039795 1001618172 /nfs/dbraw/zinc/61/81/72/1001618172.db2.gz XZSGNYMIDPMRER-FQEVSTJZSA-N 0 3 406.486 3.503 20 5 HHBDHN CC(=O)N1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC12CCCCC2 ZINC000498939420 1002339367 /nfs/dbraw/zinc/33/93/67/1002339367.db2.gz NGSDOUPCCVVMLL-UHFFFAOYSA-N 0 3 412.490 3.659 20 5 HHBDHN CCN(CC)[C@H](CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)c1cccc(OC)c1 ZINC000512076146 1004003662 /nfs/dbraw/zinc/00/36/62/1004003662.db2.gz LGUXKIJDPRZXPE-HXUWFJFHSA-N 0 3 410.474 3.898 20 5 HHBDHN CCCC(=O)NC[C@@H]1CCCN(Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C1 ZINC000512415125 1004282522 /nfs/dbraw/zinc/28/25/22/1004282522.db2.gz JNVXJJJZYFKGKH-INIZCTEOSA-N 0 3 415.490 3.992 20 5 HHBDHN O=[N+]([O-])c1ccccc1-c1ccc(CNC[C@H](N2CCOCC2)C(F)(F)F)s1 ZINC000512977812 1004741598 /nfs/dbraw/zinc/74/15/98/1004741598.db2.gz SICOASKKBWXUFW-KRWDZBQOSA-N 0 3 415.437 3.676 20 5 HHBDHN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](NCC1CCOCC1)c1ccccc1 ZINC000501969421 1004837636 /nfs/dbraw/zinc/83/76/36/1004837636.db2.gz OBGDWPAWUIGSRW-IBGZPJMESA-N 0 3 403.866 3.944 20 5 HHBDHN C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(C[N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])cc2)C1 ZINC000511047686 1004996223 /nfs/dbraw/zinc/99/62/23/1004996223.db2.gz PMWQRAKCGHRGBU-IAGOWNOFSA-N 0 3 417.531 3.551 20 5 HHBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC([C@H](F)c2ccccc2F)CC1 ZINC000511127610 1005033233 /nfs/dbraw/zinc/03/32/33/1005033233.db2.gz WITVHGQMRFVPTD-KKSFZXQISA-N 0 3 406.429 3.896 20 5 HHBDHN COc1ccc(CN2CCN(CC3CC3)CC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000513633007 1005058407 /nfs/dbraw/zinc/05/84/07/1005058407.db2.gz VJWFCZKQGNZDLE-UHFFFAOYSA-N 0 3 411.502 3.710 20 5 HHBDHN CC(=O)Nc1ccc(OC[C@@H](O)CN(Cc2ccc(C)c([N+](=O)[O-])c2)C(C)C)cc1 ZINC000513689202 1005082999 /nfs/dbraw/zinc/08/29/99/1005082999.db2.gz AEPZJZDFAXELCV-FQEVSTJZSA-N 0 3 415.490 3.512 20 5 HHBDHN CC(C)N1CCN(c2cccc(NC(=O)CSc3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000502904491 1005268459 /nfs/dbraw/zinc/26/84/59/1005268459.db2.gz IVXWIVOCMDQYSD-UHFFFAOYSA-N 0 3 414.531 3.856 20 5 HHBDHN CN1CCC(N(Cc2ccco2)C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CC1 ZINC000514165920 1005295830 /nfs/dbraw/zinc/29/58/30/1005295830.db2.gz XOGZWAJDBGZCLL-UHFFFAOYSA-N 0 3 409.389 3.526 20 5 HHBDHN CN(C)CCN(Cc1cccc(F)c1)C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000514195157 1005307035 /nfs/dbraw/zinc/30/70/35/1005307035.db2.gz OOFQFYRCOALSEA-UHFFFAOYSA-N 0 3 411.380 3.539 20 5 HHBDHN CN(CCN(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000532397334 1006843932 /nfs/dbraw/zinc/84/39/32/1006843932.db2.gz QTTCLZZIWXMQQR-UHFFFAOYSA-N 0 3 404.470 3.764 20 5 HHBDHN C[C@H]1C[C@H](CCNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CN1Cc1ccccc1 ZINC000538764635 1007049918 /nfs/dbraw/zinc/04/99/18/1007049918.db2.gz RAJXZSLKTDHFSJ-HOCLYGCPSA-N 0 3 423.560 3.772 20 5 HHBDHN O=C(CCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)Nc1cc(Cl)ccc1Cl ZINC000532704989 1007119154 /nfs/dbraw/zinc/11/91/54/1007119154.db2.gz ZLTYVYICAATWKC-CYBMUJFWSA-N 0 3 424.288 3.812 20 5 HHBDHN O=C(NC[C@@H](c1cccs1)N1CCCC1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000535278074 1007329320 /nfs/dbraw/zinc/32/93/20/1007329320.db2.gz PCHIGBOXXRAVIA-SFHVURJKSA-N 0 3 400.504 3.561 20 5 HHBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC[C@H](c3nc4ccccc4s3)C2)c1 ZINC000533012218 1007375495 /nfs/dbraw/zinc/37/54/95/1007375495.db2.gz MPWFHFILFLVCSK-RDJZCZTQSA-N 0 3 413.499 3.824 20 5 HHBDHN CN(CCCc1cc(-c2ccccc2)n[nH]1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000533266436 1007582145 /nfs/dbraw/zinc/58/21/45/1007582145.db2.gz GQMVAZFLYQXPOP-JOCHJYFZSA-N 0 3 419.485 3.655 20 5 HHBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000533344478 1007651738 /nfs/dbraw/zinc/65/17/38/1007651738.db2.gz XNPRJMPEKOWFKU-UHFFFAOYSA-N 0 3 419.441 3.558 20 5 HHBDHN CC1CCN([C@@H](CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)c2ccccc2)CC1 ZINC000517464127 1007688584 /nfs/dbraw/zinc/68/85/84/1007688584.db2.gz JOCIMRPDYARICT-IBGZPJMESA-N 0 3 411.458 3.527 20 5 HHBDHN O=C(CN[C@@H](c1ccc(F)cc1)C1CCC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000533513846 1007833632 /nfs/dbraw/zinc/83/36/32/1007833632.db2.gz XAZITMFTNVEHCE-HXUWFJFHSA-N 0 3 401.394 3.532 20 5 HHBDHN Cc1ccc([C@@H](CNCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)N2CCOCC2)o1 ZINC000518770891 1008417058 /nfs/dbraw/zinc/41/70/58/1008417058.db2.gz FLYOKQKJKKTEAJ-HXUWFJFHSA-N 0 3 411.458 3.919 20 5 HHBDHN Cc1ccccc1CN1CCCN(C(=O)CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000540475151 1008446143 /nfs/dbraw/zinc/44/61/43/1008446143.db2.gz FSQKSZVQYPIHKC-FQEVSTJZSA-N 0 3 424.545 3.597 20 5 HHBDHN CCN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000545517699 1008619668 /nfs/dbraw/zinc/61/96/68/1008619668.db2.gz ZKJHXQQADUVNFJ-FQEVSTJZSA-N 0 3 407.474 3.741 20 5 HHBDHN Cc1ccc([C@H](CNC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)N2CCCC2)cc1 ZINC000549556373 1009174045 /nfs/dbraw/zinc/17/40/45/1009174045.db2.gz ZUEZDTPSUWWCKH-QFIPXVFZSA-N 0 3 410.518 3.924 20 5 HHBDHN COc1cc(CN2CCC[C@H]([C@H](C)O)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000543748894 1009327738 /nfs/dbraw/zinc/32/77/38/1009327738.db2.gz HUZMSNOJVYHRCY-LPHOPBHVSA-N 0 3 400.475 3.775 20 5 HHBDHN COc1cc(CN2CCC[C@@H]([C@@H](C)O)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000543748896 1009328167 /nfs/dbraw/zinc/32/81/67/1009328167.db2.gz HUZMSNOJVYHRCY-VQIMIIECSA-N 0 3 400.475 3.775 20 5 HHBDHN CCN(CC)[C@@H](CNC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1)c1cccc(OC)c1 ZINC000543891947 1009471191 /nfs/dbraw/zinc/47/11/91/1009471191.db2.gz CFRBHPSRMMNKJF-IBGZPJMESA-N 0 3 416.478 3.817 20 5 HHBDHN CN(C)CCN(Cc1cccs1)C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000544093749 1009702061 /nfs/dbraw/zinc/70/20/61/1009702061.db2.gz MNGRUJBQLSTYOW-UHFFFAOYSA-N 0 3 413.952 3.992 20 5 HHBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000550264970 1009816101 /nfs/dbraw/zinc/81/61/01/1009816101.db2.gz UPZNMFYCLNMHRL-INIZCTEOSA-N 0 3 420.307 3.568 20 5 HHBDHN CCN(C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000546889800 1009851232 /nfs/dbraw/zinc/85/12/32/1009851232.db2.gz RGFUJIVGGLIYOF-HXUWFJFHSA-N 0 3 406.486 3.742 20 5 HHBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@@H]1CCCc2cn(CCOC)nc21 ZINC000546934927 1009894577 /nfs/dbraw/zinc/89/45/77/1009894577.db2.gz FELUNFOFLUQEDI-IAGOWNOFSA-N 0 3 404.536 3.976 20 5 HHBDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000521501751 1010416652 /nfs/dbraw/zinc/41/66/52/1010416652.db2.gz ZOIPSUQJLLTJIF-CQSZACIVSA-N 0 3 420.307 3.537 20 5 HHBDHN CCN(C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000544847800 1010432600 /nfs/dbraw/zinc/43/26/00/1010432600.db2.gz CDJJSBQVDSLSRL-NRFANRHFSA-N 0 3 419.485 3.517 20 5 HHBDHN CC(C)(C)[C@@H](O)C[C@H](CO)NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000551616369 1010699498 /nfs/dbraw/zinc/69/94/98/1010699498.db2.gz YWPSGRUIWUNOJJ-UZLBHIALSA-N 0 3 406.454 3.774 20 5 HHBDHN CSc1ccc(C(=O)c2ccccc2C(=O)NCCN(C)C(C)C)cc1[N+](=O)[O-] ZINC000522188268 1010855624 /nfs/dbraw/zinc/85/56/24/1010855624.db2.gz YSZGMXOBSPQHDF-UHFFFAOYSA-N 0 3 415.515 3.618 20 5 HHBDHN COc1ccc(NC(=O)[C@@H](C)N[C@@H](C)c2ccc(-n3ccnc3C)cc2)c([N+](=O)[O-])c1 ZINC000541023609 1011657595 /nfs/dbraw/zinc/65/75/95/1011657595.db2.gz DARCMBLABUOFQS-LSDHHAIUSA-N 0 3 423.473 3.775 20 5 HHBDHN C[C@H](C(=O)N(CCCc1ccccc1)CCN(C)C)c1ccc([N+](=O)[O-])cc1F ZINC000541694390 1012541130 /nfs/dbraw/zinc/54/11/30/1012541130.db2.gz USEGAQCSWVMFFB-KRWDZBQOSA-N 0 3 401.482 3.860 20 5 HHBDHN CC(=O)Nc1ccc(OC[C@H](O)CN(Cc2ccc([N+](=O)[O-])cc2C)C(C)C)cc1 ZINC000541773931 1012641093 /nfs/dbraw/zinc/64/10/93/1012641093.db2.gz OLKYNENPBWLBKA-OAQYLSRUSA-N 0 3 415.490 3.512 20 5 HHBDHN Cc1c(NC(=O)CCN[C@H](CO)c2ccc(C(F)(F)F)cc2)cccc1[N+](=O)[O-] ZINC000541949675 1012811687 /nfs/dbraw/zinc/81/16/87/1012811687.db2.gz UCMMBCBZJRAPSN-MRXNPFEDSA-N 0 3 411.380 3.574 20 5 HHBDHN Cc1cc(S(=O)(=O)N(C)[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000524122232 1012900115 /nfs/dbraw/zinc/90/01/15/1012900115.db2.gz JPNUPPQPHZIYIT-PKOBYXMFSA-N 0 3 417.531 3.577 20 5 HHBDHN NC(=O)[C@H](CNCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1ccccc1Cl ZINC000537432807 1012920929 /nfs/dbraw/zinc/92/09/29/1012920929.db2.gz CKGXJTMCNCZONY-INIZCTEOSA-N 0 3 413.861 3.942 20 5 HHBDHN C[C@@H](NC[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(F)c(Br)c1 ZINC000590192915 1073639297 /nfs/dbraw/zinc/63/92/97/1073639297.db2.gz IWTOOMXDTHTYIW-RISCZKNCSA-N 0 3 413.243 3.587 20 5 HHBDHN O=[N+]([O-])c1cc2c(cc1CNCCc1cnc(SC3CCCC3)nc1)OCCO2 ZINC000590196097 1073644279 /nfs/dbraw/zinc/64/42/79/1073644279.db2.gz BAIDGBIGGFFIGJ-UHFFFAOYSA-N 0 3 416.503 3.523 20 5 HHBDHN Cc1ccc(-c2ccc(N3CC[C@@H]4[C@@H]3CCN4Cc3cccnc3)nn2)cc1[N+](=O)[O-] ZINC001164735933 720416617 /nfs/dbraw/zinc/41/66/17/720416617.db2.gz ZPGMQCQVMMYJGF-RTWAWAEBSA-N 0 3 416.485 3.608 20 5 HHBDHN O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1NC1CCN(C2CCCC2)CC1 ZINC000301521964 970965584 /nfs/dbraw/zinc/96/55/84/970965584.db2.gz HDDNGHIUPIGFOU-UHFFFAOYSA-N 0 3 421.441 3.707 20 5 HHBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000524276538 1013086812 /nfs/dbraw/zinc/08/68/12/1013086812.db2.gz WAPWBEBHWISSQE-UHFFFAOYSA-N 0 3 410.396 3.521 20 5 HHBDHN O=C(CCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)Nc1cccc2ccccc21 ZINC000303663800 971942676 /nfs/dbraw/zinc/94/26/76/971942676.db2.gz DVMYEIHWPDKSDM-QGZVFWFLSA-N 0 3 405.458 3.658 20 5 HHBDHN C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000553176232 1013137499 /nfs/dbraw/zinc/13/74/99/1013137499.db2.gz VGCFIEVNGQXHNW-CZUORRHYSA-N 0 3 411.452 3.658 20 5 HHBDHN CCN(CC)[C@H](CNC(=O)NCc1cc([N+](=O)[O-])ccc1OC)c1ccsc1 ZINC000542245082 1013203784 /nfs/dbraw/zinc/20/37/84/1013203784.db2.gz WQSAJQKBHDDFAS-QGZVFWFLSA-N 0 3 406.508 3.547 20 5 HHBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000542278506 1013238408 /nfs/dbraw/zinc/23/84/08/1013238408.db2.gz VEVWTOIWOFGXKF-JKSUJKDBSA-N 0 3 417.531 3.549 20 5 HHBDHN C[C@@H](C(=O)N(CCN(C)C)Cc1ccc(F)cc1F)c1ccc([N+](=O)[O-])cc1F ZINC000542551593 1013494706 /nfs/dbraw/zinc/49/47/06/1013494706.db2.gz SGAWAWGMSTVTHX-CYBMUJFWSA-N 0 3 409.408 3.706 20 5 HHBDHN CC1CCN([C@@H](CNC(=O)COc2cccc([N+](=O)[O-])c2)c2cccs2)CC1 ZINC000028834200 965194220 /nfs/dbraw/zinc/19/42/20/965194220.db2.gz MHQAAIPERAXVOK-SFHVURJKSA-N 0 3 403.504 3.625 20 5 HHBDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000054226454 965434307 /nfs/dbraw/zinc/43/43/07/965434307.db2.gz OMUCEIXHPBMBON-PXNSSMCTSA-N 0 3 408.502 3.760 20 5 HHBDHN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCCCN1CCc2ccccc2C1 ZINC000064420233 967180606 /nfs/dbraw/zinc/18/06/06/967180606.db2.gz LFDKJOZDQMGXIA-OAHLLOKOSA-N 0 3 417.893 3.580 20 5 HHBDHN C[C@@H]1C[C@H]1N1CCN(C(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)C[C@H](C)C1 ZINC000554129106 1013812492 /nfs/dbraw/zinc/81/24/92/1013812492.db2.gz YYWAKLWYBIAKTE-DBXWQHBBSA-N 0 3 414.550 3.633 20 5 HHBDHN CN(C)CCN(Cc1cccc(Cl)c1)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000065936963 968725699 /nfs/dbraw/zinc/72/56/99/968725699.db2.gz QLPUKIPALDTRAR-UHFFFAOYSA-N 0 3 400.866 3.934 20 5 HHBDHN CN(C)CCN(Cc1ccc(F)cc1F)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000065937287 968725801 /nfs/dbraw/zinc/72/58/01/968725801.db2.gz QFHGEXCSYRNZIK-UHFFFAOYSA-N 0 3 418.444 3.651 20 5 HHBDHN CN(C)CCN(Cc1cccc(F)c1)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000065939079 968730315 /nfs/dbraw/zinc/73/03/15/968730315.db2.gz LIWZPGCFWZTWDD-UHFFFAOYSA-N 0 3 400.454 3.512 20 5 HHBDHN O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1[n-]nc2ccc([N+](=O)[O-])cc21 ZINC000071892044 968882605 /nfs/dbraw/zinc/88/26/05/968882605.db2.gz UZYKDEJBVKLQEB-GOSISDBHSA-N 0 3 413.865 3.691 20 5 HHBDHN CC(C)NC(=O)[C@@H]1CCC[C@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000236681960 970154887 /nfs/dbraw/zinc/15/48/87/970154887.db2.gz BIGNJOPOKVHMTR-ZBFHGGJFSA-N 0 3 402.520 3.891 20 5 HHBDHN CC(C)NC(=O)[C@H]1CCC[C@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000236689999 970156220 /nfs/dbraw/zinc/15/62/20/970156220.db2.gz BIGNJOPOKVHMTR-HOCLYGCPSA-N 0 3 402.520 3.891 20 5 HHBDHN COc1cc(CNCCCc2nc(-c3ccncc3)cs2)c([N+](=O)[O-])cc1OC ZINC000237394444 970276324 /nfs/dbraw/zinc/27/63/24/970276324.db2.gz FAIDBRKMJSGEAV-UHFFFAOYSA-N 0 3 414.487 3.853 20 5 HHBDHN Cc1ccoc1C(=O)NCCCNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000237764965 970359631 /nfs/dbraw/zinc/35/96/31/970359631.db2.gz WLQPUUWNIDUJCM-UHFFFAOYSA-N 0 3 400.460 3.529 20 5 HHBDHN CC(C)Oc1ccc([C@@H](CNc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])N(C)C)cc1 ZINC000554686051 1014012429 /nfs/dbraw/zinc/01/24/29/1014012429.db2.gz VRGDEVVKCKZPHM-HXUWFJFHSA-N 0 3 411.462 3.746 20 5 HHBDHN COc1cccc(CN(Cc2ccc(OC)c([N+](=O)[O-])c2)C2CCC(O)CC2)c1 ZINC000261397482 970650593 /nfs/dbraw/zinc/65/05/93/970650593.db2.gz NYEWCANQAGSVNC-UHFFFAOYSA-N 0 3 400.475 3.918 20 5 HHBDHN COc1cccc(CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]2CCCO2)c1 ZINC000410034442 973512767 /nfs/dbraw/zinc/51/27/67/973512767.db2.gz PYFCHVREKQJTPG-LJQANCHMSA-N 0 3 413.474 3.613 20 5 HHBDHN CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000410056439 973540726 /nfs/dbraw/zinc/54/07/26/973540726.db2.gz YSRFDGHYHYYZSI-OAQYLSRUSA-N 0 3 411.502 3.563 20 5 HHBDHN CC1CCN([C@@H](CNC(=O)NCc2ccccc2[N+](=O)[O-])c2cccs2)CC1 ZINC000410158803 973649525 /nfs/dbraw/zinc/64/95/25/973649525.db2.gz SJHANYSDHWOHJC-SFHVURJKSA-N 0 3 402.520 3.929 20 5 HHBDHN CSc1ccc(C(=O)N2CCC(CCN3C[C@@H](C)O[C@H](C)C3)CC2)cc1[N+](=O)[O-] ZINC000427296270 975033000 /nfs/dbraw/zinc/03/30/00/975033000.db2.gz NLFAOPRNRQJDEP-HZPDHXFCSA-N 0 3 421.563 3.668 20 5 HHBDHN COc1cc(CNC[C@@]2(Cc3ccc(F)cc3)CCC[C@H]2O)c([N+](=O)[O-])cc1OC ZINC000428568089 975879317 /nfs/dbraw/zinc/87/93/17/975879317.db2.gz CQJMXMRJFAELPD-YADHBBJMSA-N 0 3 418.465 3.615 20 5 HHBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000429126721 976411453 /nfs/dbraw/zinc/41/14/53/976411453.db2.gz IGIQHVWHHKUNGL-RDJZCZTQSA-N 0 3 408.907 3.855 20 5 HHBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000429220284 976514075 /nfs/dbraw/zinc/51/40/75/976514075.db2.gz NGDIAXYFEBEXOZ-IRXDYDNUSA-N 0 3 404.511 3.646 20 5 HHBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000429348970 976612480 /nfs/dbraw/zinc/61/24/80/976612480.db2.gz LTILPGDXBWAEJX-FQEVSTJZSA-N 0 3 411.502 3.541 20 5 HHBDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000429870598 977145250 /nfs/dbraw/zinc/14/52/50/977145250.db2.gz JBVJLVLHYKTHST-XJKSGUPXSA-N 0 3 418.291 3.923 20 5 HHBDHN Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000434323601 980087374 /nfs/dbraw/zinc/08/73/74/980087374.db2.gz KOXSBMVBCDGCGY-HXUWFJFHSA-N 0 3 419.485 3.728 20 5 HHBDHN C[C@@H](Nc1ccc(C(=O)NC[C@@H]2CCCCN2C2CC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000434420644 980161087 /nfs/dbraw/zinc/16/10/87/980161087.db2.gz HLMWHSNCIOMTJX-APWZRJJASA-N 0 3 423.517 3.910 20 5 HHBDHN Cc1c(NC(=O)CCN2CCC(C(=O)c3ccc(F)cc3)CC2)cccc1[N+](=O)[O-] ZINC000434675948 980333372 /nfs/dbraw/zinc/33/33/72/980333372.db2.gz OFWFUDPTHKTHNX-UHFFFAOYSA-N 0 3 413.449 3.966 20 5 HHBDHN C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000436125817 981210544 /nfs/dbraw/zinc/21/05/44/981210544.db2.gz DDAJPPFCSABVRB-XHSDSOJGSA-N 0 3 409.505 3.917 20 5 HHBDHN C[C@@H]1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CCN1Cc1ccccc1 ZINC000437472902 982101767 /nfs/dbraw/zinc/10/17/67/982101767.db2.gz KPCZWWKOIWWBJL-LJQANCHMSA-N 0 3 410.518 3.910 20 5 HHBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCN(C2CCC(C(C)C)CC2)CC1 ZINC000438551361 982891951 /nfs/dbraw/zinc/89/19/51/982891951.db2.gz GFBIBGNTQXUIBB-UHFFFAOYSA-N 0 3 402.539 3.674 20 5 HHBDHN CN1CCC(N(Cc2ccccc2)C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000438711683 983020322 /nfs/dbraw/zinc/02/03/22/983020322.db2.gz NXOHDEJDYXJRBK-UHFFFAOYSA-N 0 3 401.894 3.914 20 5 HHBDHN O=[N+]([O-])c1ccc(OC2CCN(C[C@@H](O)COc3ccccc3Cl)CC2)cc1 ZINC000438817872 983091765 /nfs/dbraw/zinc/09/17/65/983091765.db2.gz HEXRGZBFQDUYTJ-MRXNPFEDSA-N 0 3 406.866 3.531 20 5 HHBDHN C[C@@H](c1ccncc1)N1CCC(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000439766796 983530291 /nfs/dbraw/zinc/53/02/91/983530291.db2.gz IDBDKANYQLUZKM-AWEZNQCLSA-N 0 3 402.882 3.528 20 5 HHBDHN C[C@H](c1ccncc1)N1CCC(NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)CC1 ZINC000439772106 983532380 /nfs/dbraw/zinc/53/23/80/983532380.db2.gz VTZJVWCLUSHKKG-CVEARBPZSA-N 0 3 414.531 3.812 20 5 HHBDHN O=C(CCN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)Nc1c(Cl)cccc1Cl ZINC000440496121 983776353 /nfs/dbraw/zinc/77/63/53/983776353.db2.gz QWUQQTMQGFNSSU-LBPRGKRZSA-N 0 3 424.288 3.812 20 5 HHBDHN O=C(NC[C@]1(O)CCN(Cc2ccccc2)C1)c1cc2ccccc2c2cccnc12 ZINC000440518026 983783064 /nfs/dbraw/zinc/78/30/64/983783064.db2.gz IZGQWXRVDOHPNH-AREMUKBSSA-N 0 3 411.505 3.755 20 5 HHBDHN C[C@@H](O)CN(Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H](C)Cc1ccc(Cl)cc1 ZINC000441269264 984149577 /nfs/dbraw/zinc/14/95/77/984149577.db2.gz LYOUHOFWCUSDEH-HUUCEWRRSA-N 0 3 420.893 3.929 20 5 HHBDHN COC(=O)c1ccccc1C(=O)c1ccc(N[C@H]2CCN(C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000462874199 985798642 /nfs/dbraw/zinc/79/86/42/985798642.db2.gz MIJOXVUYHSPKGI-HOCLYGCPSA-N 0 3 411.458 3.507 20 5 HHBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000443952359 986160038 /nfs/dbraw/zinc/16/00/38/986160038.db2.gz WOJBRVQKOWPWAM-IAGOWNOFSA-N 0 3 418.538 3.955 20 5 HHBDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000463276436 986242745 /nfs/dbraw/zinc/24/27/45/986242745.db2.gz PDWVQXPJZPIYLV-UTKZUKDTSA-N 0 3 408.502 3.789 20 5 HHBDHN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000469320928 987030953 /nfs/dbraw/zinc/03/09/53/987030953.db2.gz LEQAUDQEPUKBDR-INIZCTEOSA-N 0 3 405.857 3.916 20 5 HHBDHN CN(Cc1ccccc1)Cc1cccc(-c2nc(-c3c([N+](=O)[O-])ncn3C)no2)c1 ZINC000445580809 987646078 /nfs/dbraw/zinc/64/60/78/987646078.db2.gz ZMMIUVAIIMFCCN-UHFFFAOYSA-N 0 3 404.430 3.677 20 5 HHBDHN COC(=O)[C@@H]1CCN(Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)[C@@H]1C ZINC000470153349 988063374 /nfs/dbraw/zinc/06/33/74/988063374.db2.gz SDLYARNDJKSPGT-DNVCBOLYSA-N 0 3 414.458 3.566 20 5 HHBDHN COC(=O)[C@H]1CCN(Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000470154002 988063858 /nfs/dbraw/zinc/06/38/58/988063858.db2.gz BTIMOAVTHLDDIY-IERDGZPVSA-N 0 3 420.469 3.831 20 5 HHBDHN CC(C)N1CCC[C@@H](NC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)C1 ZINC000470677716 988702353 /nfs/dbraw/zinc/70/23/53/988702353.db2.gz KIVZPVGUHPWVAZ-FUHWJXTLSA-N 0 3 411.506 3.766 20 5 HHBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000470990516 989054462 /nfs/dbraw/zinc/05/44/62/989054462.db2.gz DOUPZOIBRUJTOX-IFXJQAMLSA-N 0 3 403.504 3.868 20 5 HHBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(N2CCN(CC)CC2)c1 ZINC000471633990 989841010 /nfs/dbraw/zinc/84/10/10/989841010.db2.gz LZMRMAPCXZVXHG-IBGZPJMESA-N 0 3 410.518 3.944 20 5 HHBDHN COCc1ccc([C@@H]2CCCN2CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000467026127 992333425 /nfs/dbraw/zinc/33/34/25/992333425.db2.gz XDDKTDAWBFIYBT-KRWDZBQOSA-N 0 3 403.435 3.509 20 5 HHBDHN O=C(Nc1cccc(CN2CCC(O)CC2)c1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000467237193 992558763 /nfs/dbraw/zinc/55/87/63/992558763.db2.gz UUMYXDFDPYHIMO-UHFFFAOYSA-N 0 3 404.854 3.849 20 5 HHBDHN CCOC(=O)[C@]1(COC)CCCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000467550224 992829326 /nfs/dbraw/zinc/82/93/26/992829326.db2.gz IDMSHMLLMPDGQZ-OAQYLSRUSA-N 0 3 402.447 3.647 20 5 HHBDHN Cc1c(NC(=O)CCN2CCCC[C@H]2CNC(=O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000472297434 993311318 /nfs/dbraw/zinc/31/13/18/993311318.db2.gz QXCVGUOCIFPXQO-IBGZPJMESA-N 0 3 424.501 3.516 20 5 HHBDHN CC(C)c1ccc(C(=O)N2CCC(CN3C[C@H](C)O[C@@H](C)C3)CC2)cc1[N+](=O)[O-] ZINC000473180064 994045319 /nfs/dbraw/zinc/04/53/19/994045319.db2.gz BYPTWUQIIUSOOL-IRXDYDNUSA-N 0 3 403.523 3.680 20 5 HHBDHN O=C(NC1CC(N2CCC(C(F)(F)F)CC2)C1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000473516635 994370781 /nfs/dbraw/zinc/37/07/81/994370781.db2.gz CUTAQMQNPQAYFU-UHFFFAOYSA-N 0 3 410.396 3.611 20 5 HHBDHN COC(=O)COc1ccc(CNC2CC(F)(c3cccc(Cl)c3)C2)cc1[N+](=O)[O-] ZINC000481815276 994664880 /nfs/dbraw/zinc/66/48/80/994664880.db2.gz MSYATWZRXMQYDY-UHFFFAOYSA-N 0 3 422.840 3.917 20 5 HHBDHN CC[C@H](Cc1ccccc1Br)N(C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000481850403 994706852 /nfs/dbraw/zinc/70/68/52/994706852.db2.gz XAVZEAWLZAHODP-MRXNPFEDSA-N 0 3 420.307 3.909 20 5 HHBDHN CC(C)[C@@H](CN(C)Cc1ccccc1)NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000482149931 995101792 /nfs/dbraw/zinc/10/17/92/995101792.db2.gz NZKDMEKLEDNBBF-HXUWFJFHSA-N 0 3 409.490 3.891 20 5 HHBDHN CN(C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000474744031 995677981 /nfs/dbraw/zinc/67/79/81/995677981.db2.gz DQPVCIIFAPCRGC-MRXNPFEDSA-N 0 3 420.416 3.934 20 5 HHBDHN Cc1cccc(CC2(O)CCN(Cc3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000475486681 996171457 /nfs/dbraw/zinc/17/14/57/996171457.db2.gz LVNIDHQYKDTTDF-UHFFFAOYSA-N 0 3 420.513 3.873 20 5 HHBDHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H](C)c1ccc(Br)cn1 ZINC000475511276 996191755 /nfs/dbraw/zinc/19/17/55/996191755.db2.gz SZCYTDVXBMIWSA-RYUDHWBXSA-N 0 3 407.268 3.820 20 5 HHBDHN COc1cc(CN2CCC[C@@]2(CO)Cc2ccccc2)c([N+](=O)[O-])cc1OC(F)F ZINC000475663689 996285688 /nfs/dbraw/zinc/28/56/88/996285688.db2.gz DLCWWFSPMUASMI-NRFANRHFSA-N 0 3 422.428 3.774 20 5 HHBDHN COc1cccc(CN(CCN(C)C)C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)c1 ZINC000484774509 997122031 /nfs/dbraw/zinc/12/20/31/997122031.db2.gz GCJHWCLAUMRQOH-UHFFFAOYSA-N 0 3 400.479 3.816 20 5 HHBDHN Cc1c(NC(=O)CCN(C)[C@@H](C)c2ccc([S@@](C)=O)cc2)cccc1[N+](=O)[O-] ZINC000477065689 997710945 /nfs/dbraw/zinc/71/09/45/997710945.db2.gz IKMXMUKYLGMHMH-OHZJNBGDSA-N 0 3 403.504 3.662 20 5 HHBDHN CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000486000142 998444593 /nfs/dbraw/zinc/44/45/93/998444593.db2.gz DODNEGQAOMNKMF-KSSFIOAISA-N 0 3 405.296 3.882 20 5 HHBDHN O=C(Nc1cccc(CN2CCC(CO)CC2)c1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000477731531 998465160 /nfs/dbraw/zinc/46/51/60/998465160.db2.gz OXFNRUZLRVHBOO-UHFFFAOYSA-N 0 3 408.458 3.533 20 5 HHBDHN CSc1ccc(C(=O)Nc2cccc(CN3CCC(CO)CC3)c2)cc1[N+](=O)[O-] ZINC000477731616 998465330 /nfs/dbraw/zinc/46/53/30/998465330.db2.gz LWTANBZFDTZVOC-UHFFFAOYSA-N 0 3 415.515 3.773 20 5 HHBDHN O=[N+]([O-])c1ccc(CNC[C@@H](CO)Cc2ccccc2OC(F)(F)F)c(F)c1 ZINC000478276842 998859504 /nfs/dbraw/zinc/85/95/04/998859504.db2.gz OZRAWHYYDAVFAE-LBPRGKRZSA-N 0 3 402.344 3.573 20 5 HHBDHN CCOc1ccc(C(=O)N2CCC(NCc3ccc([N+](=O)[O-])cc3F)CC2)cc1 ZINC000479945562 999658345 /nfs/dbraw/zinc/65/83/45/999658345.db2.gz BFUARJAEVVNTAH-UHFFFAOYSA-N 0 3 401.438 3.527 20 5 HHBDHN O=[N+]([O-])c1ccccc1C[C@@H](NCc1nnc2ccc(C(F)(F)F)cn21)C1CC1 ZINC000480456592 999803499 /nfs/dbraw/zinc/80/34/99/999803499.db2.gz YZAFACIKVDSUKV-OAHLLOKOSA-N 0 3 405.380 3.767 20 5 HHBDHN Cc1csc(Sc2ccc(C(=O)N3CC[C@@H]4CCN(C)C[C@@H]43)cc2[N+](=O)[O-])n1 ZINC000493343308 1000169661 /nfs/dbraw/zinc/16/96/61/1000169661.db2.gz FFHHTVNHOXHOEU-BBRMVZONSA-N 0 3 418.544 3.677 20 5 HHBDHN C[C@@H]1[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Br)CCN1Cc1ccccc1 ZINC000494020225 1000272135 /nfs/dbraw/zinc/27/21/35/1000272135.db2.gz XUCMEQSPMUBVHG-FZKQIMNGSA-N 0 3 418.291 3.750 20 5 HHBDHN COc1cc([N+](=O)[O-])c(C(=O)N(CCN(C)C)Cc2cccc(C)c2)cc1SC ZINC000498115286 1001647339 /nfs/dbraw/zinc/64/73/39/1001647339.db2.gz SXNDQZVVXJDZOH-UHFFFAOYSA-N 0 3 417.531 3.838 20 5 HHBDHN C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CCN1Cc1ccccc1 ZINC000498302802 1001767694 /nfs/dbraw/zinc/76/76/94/1001767694.db2.gz FXBLKQIXMYLUFJ-QGZVFWFLSA-N 0 3 404.470 3.880 20 5 HHBDHN C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CCN1Cc1ccccc1 ZINC000498302801 1001767738 /nfs/dbraw/zinc/76/77/38/1001767738.db2.gz FXBLKQIXMYLUFJ-KRWDZBQOSA-N 0 3 404.470 3.880 20 5 HHBDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000507612766 1002218768 /nfs/dbraw/zinc/21/87/68/1002218768.db2.gz ILCHREQUGDMVRY-WIYYLYMNSA-N 0 3 422.529 3.763 20 5 HHBDHN C[C@@H](NC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000507683457 1002276460 /nfs/dbraw/zinc/27/64/60/1002276460.db2.gz KHMXMPBNCHNLCG-DNVCBOLYSA-N 0 3 403.429 3.929 20 5 HHBDHN COc1cc(CNCCc2cc(F)c(F)c(F)c2)c([N+](=O)[O-])cc1OCC(F)F ZINC000507709249 1002300577 /nfs/dbraw/zinc/30/05/77/1002300577.db2.gz PBFLZYJTNSPODC-UHFFFAOYSA-N 0 3 420.334 3.997 20 5 HHBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CN2CCC(CCCN3CCOCC3)CC2)c1 ZINC000507721832 1002309630 /nfs/dbraw/zinc/30/96/30/1002309630.db2.gz RHSPQJJCSOHJMS-UHFFFAOYSA-N 0 3 413.465 3.521 20 5 HHBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@@H](c1ccc(Cl)cc1)N1CCOCC1 ZINC000507935294 1002469157 /nfs/dbraw/zinc/46/91/57/1002469157.db2.gz WTXKIXQMEHUGFL-FQEVSTJZSA-N 0 3 419.909 3.810 20 5 HHBDHN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000499847255 1003183285 /nfs/dbraw/zinc/18/32/85/1003183285.db2.gz QDWVUSZZBNFYGW-QGZVFWFLSA-N 0 3 404.470 3.880 20 5 HHBDHN CCN(C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000500002652 1003325281 /nfs/dbraw/zinc/32/52/81/1003325281.db2.gz IDMDDOFNOBQZND-QAPCUYQASA-N 0 3 407.474 3.769 20 5 HHBDHN CC[C@H](C)N[C@H](CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccco1 ZINC000509558480 1003944480 /nfs/dbraw/zinc/94/44/80/1003944480.db2.gz QXEVBFIJUCZERT-MAUKXSAKSA-N 0 3 400.479 3.991 20 5 HHBDHN CC[C@@H](C)N[C@@H](CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccco1 ZINC000509596936 1003969896 /nfs/dbraw/zinc/96/98/96/1003969896.db2.gz WEVOIYHQLADQSJ-BEFAXECRSA-N 0 3 400.479 3.991 20 5 HHBDHN CC[C@H](C)N[C@H](CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccco1 ZINC000509596938 1003970082 /nfs/dbraw/zinc/97/00/82/1003970082.db2.gz WEVOIYHQLADQSJ-HNAYVOBHSA-N 0 3 400.479 3.991 20 5 HHBDHN CCOc1cc(C(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)c([N+](=O)[O-])cc1OC ZINC000500847833 1004000206 /nfs/dbraw/zinc/00/02/06/1004000206.db2.gz TUUDPZACNUHJLR-NVXWUHKLSA-N 0 3 413.474 3.567 20 5 HHBDHN Cc1ccc(C(=O)N(CCN(C)C)Cc2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000500953437 1004074443 /nfs/dbraw/zinc/07/44/43/1004074443.db2.gz KRSOJCBPGIQKDN-UHFFFAOYSA-N 0 3 420.307 3.870 20 5 HHBDHN CC(C)CN(C(=O)Cn1c2ccccc2c(=O)c2ccccc21)C1CCN(C)CC1 ZINC000509936455 1004218425 /nfs/dbraw/zinc/21/84/25/1004218425.db2.gz BXICYGMQHYLCOL-UHFFFAOYSA-N 0 3 405.542 3.734 20 5 HHBDHN CCOC(=O)c1cnn(C2CCN([C@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)c1C ZINC000510611896 1004753259 /nfs/dbraw/zinc/75/32/59/1004753259.db2.gz BLPRXTJZLFSTOU-OAHLLOKOSA-N 0 3 400.479 3.983 20 5 HHBDHN COC1CCN(C2(CNC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)CCCC2)CC1 ZINC000502448141 1005079465 /nfs/dbraw/zinc/07/94/65/1005079465.db2.gz VDSOFZRTYKHRGL-UHFFFAOYSA-N 0 3 417.531 3.963 20 5 HHBDHN CC(C)(NCCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)NCC1CCCCC1 ZINC000502732824 1005194714 /nfs/dbraw/zinc/19/47/14/1005194714.db2.gz OFNVFCZUPAEAQN-UHFFFAOYSA-N 0 3 414.506 3.857 20 5 HHBDHN COc1ccc([C@H](CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)N2CCCC2)cc1 ZINC000503003525 1005311423 /nfs/dbraw/zinc/31/14/23/1005311423.db2.gz WLMGTBOJPCQXPS-NRFANRHFSA-N 0 3 408.458 3.652 20 5 HHBDHN CC(C)N1CCN(c2ccc(C(=O)N3c4ccc([N+](=O)[O-])cc4C[C@@H]3C)cc2)CC1 ZINC000504275406 1005587823 /nfs/dbraw/zinc/58/78/23/1005587823.db2.gz WHFXPIZEICKCMO-KRWDZBQOSA-N 0 3 408.502 3.717 20 5 HHBDHN CCN(CC)[C@H](CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1cccc(OC)c1 ZINC000514511590 1006014576 /nfs/dbraw/zinc/01/45/76/1006014576.db2.gz INHAOQXTKOEHPG-LJQANCHMSA-N 0 3 416.478 3.817 20 5 HHBDHN CC[C@@H](CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCc2ccccc2C1 ZINC000534064985 1006036897 /nfs/dbraw/zinc/03/68/97/1006036897.db2.gz LURPKTGMLGUHLA-IBGZPJMESA-N 0 3 406.486 3.572 20 5 HHBDHN COc1ccc(C[C@@H](C)CN(C)[C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC000534172913 1006157117 /nfs/dbraw/zinc/15/71/17/1006157117.db2.gz HOKVSWHGKGOQRU-CVEARBPZSA-N 0 3 415.490 3.750 20 5 HHBDHN C[C@H](CCS(C)(=O)=O)NCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000532139477 1006666883 /nfs/dbraw/zinc/66/68/83/1006666883.db2.gz ZRMICHBNPCGMGA-CYBMUJFWSA-N 0 3 412.895 3.953 20 5 HHBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCCNC(=O)c1ccc(Br)cc1 ZINC000532194808 1006712422 /nfs/dbraw/zinc/71/24/22/1006712422.db2.gz LLOJZXKELUEXNJ-CYBMUJFWSA-N 0 3 406.280 3.746 20 5 HHBDHN O=C(Nc1ccc(CCN2CCSCC2)cc1)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC000534961375 1007010336 /nfs/dbraw/zinc/01/03/36/1007010336.db2.gz QCACANUHCWZFHA-UHFFFAOYSA-N 0 3 410.499 3.920 20 5 HHBDHN Cc1ccc(C(C)C)c(Oc2ccc(CNCC3(CO)COC3)cc2[N+](=O)[O-])c1 ZINC000532617611 1007042100 /nfs/dbraw/zinc/04/21/00/1007042100.db2.gz ILVAWSONQNGCRA-UHFFFAOYSA-N 0 3 400.475 3.917 20 5 HHBDHN O=C(CCN1CCC(Oc2ccc(F)cc2F)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000533241072 1007561409 /nfs/dbraw/zinc/56/14/09/1007561409.db2.gz MMHCFLPONGAMTL-UHFFFAOYSA-N 0 3 405.401 3.745 20 5 HHBDHN CN(CCCc1cc(-c2ccccc2)n[nH]1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000533266437 1007582554 /nfs/dbraw/zinc/58/25/54/1007582554.db2.gz GQMVAZFLYQXPOP-QFIPXVFZSA-N 0 3 419.485 3.655 20 5 HHBDHN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCN(C2CCC(C)CC2)CC1 ZINC000533297816 1007612844 /nfs/dbraw/zinc/61/28/44/1007612844.db2.gz FUNGVXXWUDFVDJ-PCKAHOCUSA-N 0 3 408.930 3.772 20 5 HHBDHN Cc1cc(NC2CCN([C@@H](C)c3ccncc3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000535986249 1008025214 /nfs/dbraw/zinc/02/52/14/1008025214.db2.gz BNFACCYVMKIAPW-KRWDZBQOSA-N 0 3 418.501 3.815 20 5 HHBDHN CC(=O)N1CC[C@H](CN(C)Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000539898071 1008171303 /nfs/dbraw/zinc/17/13/03/1008171303.db2.gz JXBDPOKGWSXOOZ-QGZVFWFLSA-N 0 3 401.438 3.826 20 5 HHBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCC(C)(C)N[C@@H](C)c2ccccc2)cc1C ZINC000518318389 1008258576 /nfs/dbraw/zinc/25/85/76/1008258576.db2.gz UPHXAFRCZZABDE-INIZCTEOSA-N 0 3 405.520 3.619 20 5 HHBDHN CC[C@H](NC[C@H](O)COc1ccccc1Br)c1cccc([N+](=O)[O-])c1 ZINC000540160124 1008316446 /nfs/dbraw/zinc/31/64/46/1008316446.db2.gz JJXRUCFBLBBGPQ-RDJZCZTQSA-N 0 3 409.280 3.838 20 5 HHBDHN COc1ccc(NC(=O)CCN[C@@H](C)c2ccccc2OC(F)F)c([N+](=O)[O-])c1 ZINC000540348072 1008391519 /nfs/dbraw/zinc/39/15/19/1008391519.db2.gz PJVOQOCQIWUWII-LBPRGKRZSA-N 0 3 409.389 3.884 20 5 HHBDHN Cc1ccc([C@@H](CNC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])N(C)C)cc1 ZINC000540544751 1008475329 /nfs/dbraw/zinc/47/53/29/1008475329.db2.gz KLQMFONNHQLMNF-HXUWFJFHSA-N 0 3 404.470 3.998 20 5 HHBDHN CCN1CC[C@H](NCc2cc([N+](=O)[O-])ccc2OC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000549116257 1008683111 /nfs/dbraw/zinc/68/31/11/1008683111.db2.gz CRJRSEBZHMVLCB-PXNSSMCTSA-N 0 3 409.408 3.946 20 5 HHBDHN CC(C)(C)[C@H](COc1ccccc1F)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000543183309 1008757743 /nfs/dbraw/zinc/75/77/43/1008757743.db2.gz NZYVNVGVWMJRKB-IBGZPJMESA-N 0 3 424.494 3.591 20 5 HHBDHN C[C@@H]1[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CCN1Cc1ccccc1 ZINC000519563353 1008906738 /nfs/dbraw/zinc/90/67/38/1008906738.db2.gz SXEQIPRSGUYYJU-CXAGYDPISA-N 0 3 405.401 3.589 20 5 HHBDHN C[C@@H]1[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CCN1Cc1ccccc1 ZINC000519563408 1008907357 /nfs/dbraw/zinc/90/73/57/1008907357.db2.gz SXEQIPRSGUYYJU-DYVFJYSZSA-N 0 3 405.401 3.589 20 5 HHBDHN Cc1ccc([C@@H](CNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)N(C)C)cc1 ZINC000520065089 1009227161 /nfs/dbraw/zinc/22/71/61/1009227161.db2.gz ATHCNVKXJUVHBB-JOCHJYFZSA-N 0 3 410.518 3.539 20 5 HHBDHN C[C@H]1C[C@@H](NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CN1Cc1ccccc1 ZINC000543785377 1009355484 /nfs/dbraw/zinc/35/54/84/1009355484.db2.gz TVYRRFHXNOEPJN-XJKSGUPXSA-N 0 3 405.401 3.589 20 5 HHBDHN CC(C)Oc1ccc([C@@H](CNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)N(C)C)cc1 ZINC000520449759 1009562165 /nfs/dbraw/zinc/56/21/65/1009562165.db2.gz UPFGRQWDGGHZDX-HXUWFJFHSA-N 0 3 410.474 3.896 20 5 HHBDHN CCN(C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000546889705 1009849950 /nfs/dbraw/zinc/84/99/50/1009849950.db2.gz NEOUXWSRPOMCMD-FQEVSTJZSA-N 0 3 408.502 3.906 20 5 HHBDHN C[C@H](CCc1ccccc1[N+](=O)[O-])Nc1ccc2nc(CCN3CCOCC3)[nH]c2c1 ZINC000547363255 1010271338 /nfs/dbraw/zinc/27/13/38/1010271338.db2.gz QQUSJELPPHKWKM-QGZVFWFLSA-N 0 3 423.517 3.779 20 5 HHBDHN CC(C)(C)[C@@H](O)C[C@@H](CO)NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000551616366 1010699961 /nfs/dbraw/zinc/69/99/61/1010699961.db2.gz YWPSGRUIWUNOJJ-JXFKEZNVSA-N 0 3 406.454 3.774 20 5 HHBDHN CCO[C@@H]1C[C@H](NCc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)[C@@]12CCCO2 ZINC000545353513 1010745230 /nfs/dbraw/zinc/74/52/30/1010745230.db2.gz NLSUVAXNTFZAAJ-HBMCJLEFSA-N 0 3 402.447 3.680 20 5 HHBDHN CCO[C@@H]1C[C@H](NCc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)[C@]12CCCO2 ZINC000545353516 1010745777 /nfs/dbraw/zinc/74/57/77/1010745777.db2.gz NLSUVAXNTFZAAJ-PWRODBHTSA-N 0 3 402.447 3.680 20 5 HHBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@H](c2cccs2)N2CCCC2)c1 ZINC000540598163 1011253875 /nfs/dbraw/zinc/25/38/75/1011253875.db2.gz OYXHLXCZJPOCHN-QGZVFWFLSA-N 0 3 403.504 3.687 20 5 HHBDHN CN(c1ccccc1)c1ccc(CN2CCN(C3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000536658619 1011805804 /nfs/dbraw/zinc/80/58/04/1011805804.db2.gz MLBFTNCRBJFVJF-UHFFFAOYSA-N 0 3 410.518 3.659 20 5 HHBDHN COc1cc(CN[C@H]2CCO[C@@H](C(C)C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000536756394 1011947094 /nfs/dbraw/zinc/94/70/94/1011947094.db2.gz PKCWCJMXKUDLJH-DZGCQCFKSA-N 0 3 406.401 3.838 20 5 HHBDHN COc1cc(CN[C@@H]2CCO[C@@H](C(C)C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000536756403 1011947759 /nfs/dbraw/zinc/94/77/59/1011947759.db2.gz PKCWCJMXKUDLJH-UKRRQHHQSA-N 0 3 406.401 3.838 20 5 HHBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC[C@H](COc2ccccc2Cl)C1 ZINC000541280964 1011973950 /nfs/dbraw/zinc/97/39/50/1011973950.db2.gz ANHHCPBLRJNCFF-DLBZAZTESA-N 0 3 420.893 3.779 20 5 HHBDHN Cc1ccc([C@@H](C)NC[C@@H](O)COc2ccccc2Br)cc1[N+](=O)[O-] ZINC000536848782 1012078481 /nfs/dbraw/zinc/07/84/81/1012078481.db2.gz ZXCZDIFQOMWHEX-UKRRQHHQSA-N 0 3 409.280 3.756 20 5 HHBDHN Cc1c(Cl)cc(S(=O)(=O)N2CCC[C@H](N3[C@@H](C)CC[C@@H]3C)C2)cc1[N+](=O)[O-] ZINC000552116124 1012134509 /nfs/dbraw/zinc/13/45/09/1012134509.db2.gz AMODAEVSWMQTHZ-YDHLFZDLSA-N 0 3 415.943 3.583 20 5 HHBDHN Cc1csc(Sc2ccc(C(=O)N3[C@@H]4CC[C@H]3CCN(C)C4)cc2[N+](=O)[O-])n1 ZINC000552146164 1012166768 /nfs/dbraw/zinc/16/67/68/1012166768.db2.gz ZOOKXOFZFZNJAS-LSDHHAIUSA-N 0 3 418.544 3.820 20 5 HHBDHN CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000552269828 1012281855 /nfs/dbraw/zinc/28/18/55/1012281855.db2.gz UDPJNXDTXLQVLD-BRKWEVRTSA-N 0 3 409.486 3.641 20 5 HHBDHN CN(Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000541695432 1012542493 /nfs/dbraw/zinc/54/24/93/1012542493.db2.gz WIOFCMPEUJVXNH-UYAOXDASSA-N 0 3 402.422 3.953 20 5 HHBDHN O=[N+]([O-])c1ccccc1/C=C/CNCc1cc(Br)c2c(c1)OCCO2 ZINC000537288658 1012744864 /nfs/dbraw/zinc/74/48/64/1012744864.db2.gz MCDYFHLFZZZHCC-HWKANZROSA-N 0 3 405.248 3.932 20 5 HHBDHN CC(C)[C@H](CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)N1CCc2ccccc2C1 ZINC000575948292 1071769485 /nfs/dbraw/zinc/76/94/85/1071769485.db2.gz HIDTZTKAXTYXCA-NRFANRHFSA-N 0 3 417.456 3.615 20 5 HHBDHN COc1ccc([C@@H](CNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)N2CCCCC2)cc1 ZINC000913088476 1072326906 /nfs/dbraw/zinc/32/69/06/1072326906.db2.gz UDXJOGDRPMRVAO-RRMRZKMGSA-N 0 3 409.486 3.960 20 5 HHBDHN CCOC(=O)C1CCC(N(CC)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000554863559 1072922396 /nfs/dbraw/zinc/92/23/96/1072922396.db2.gz UDTAZRFASNCOKU-UHFFFAOYSA-N 0 3 402.451 3.589 20 5 HHBDHN COc1cc(CNCCc2ccc(Cl)nc2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000760700332 1073142234 /nfs/dbraw/zinc/14/22/34/1073142234.db2.gz GINVKWIOYVLVOM-UHFFFAOYSA-N 0 3 419.787 3.925 20 5 HHBDHN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCN(c2ccnc3ccccc32)CC1 ZINC000588841454 1073300726 /nfs/dbraw/zinc/30/07/26/1073300726.db2.gz OKXFACJZVZXQFX-UHFFFAOYSA-N 0 3 419.485 3.684 20 5 HHBDHN CC(C)Oc1ccc([C@@H](CNCc2cc3c(cc2[N+](=O)[O-])OCCO3)N(C)C)cc1 ZINC000588929718 1073347713 /nfs/dbraw/zinc/34/77/13/1073347713.db2.gz AZOFQSOUWUDXGB-HXUWFJFHSA-N 0 3 415.490 3.546 20 5 HHBDHN O=[N+]([O-])c1ccc(OCCCN[C@@H](CO)c2ccc(Br)c(F)c2)cc1 ZINC000590021375 1073474511 /nfs/dbraw/zinc/47/45/11/1073474511.db2.gz RCDOOGLSUIIKBT-KRWDZBQOSA-N 0 3 413.243 3.589 20 5 HHBDHN CN1C[C@H]2[C@@H](CCN2C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)C1 ZINC000590447038 1073839330 /nfs/dbraw/zinc/83/93/30/1073839330.db2.gz XYOJHXRSALDFDX-YWZLYKJASA-N 0 3 414.893 3.636 20 5 HHBDHN CN1C[C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3NCc3ccccc3Cl)[C@@H]2C1 ZINC000590447035 1073839388 /nfs/dbraw/zinc/83/93/88/1073839388.db2.gz XYOJHXRSALDFDX-MGPUTAFESA-N 0 3 414.893 3.636 20 5 HHBDHN CC[C@H]1CN(C)CCCN1C(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000590536845 1073913976 /nfs/dbraw/zinc/91/39/76/1073913976.db2.gz BFWBJQHMYPEWAI-SCTDSRPQSA-N 0 3 402.539 3.633 20 5 HHBDHN O=[N+]([O-])c1cc2ccccc2nc1N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164908811 721543748 /nfs/dbraw/zinc/54/37/48/721543748.db2.gz QRFHYXMMNYWDEF-HKUYNNGSSA-N 0 3 408.433 3.624 20 5 HHBDHN O=[N+]([O-])c1cc2ccccc2nc1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164908813 721544709 /nfs/dbraw/zinc/54/47/09/721544709.db2.gz QRFHYXMMNYWDEF-IEBWSBKVSA-N 0 3 408.433 3.624 20 5 HHBDHN CN(C)[C@H](CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000302215136 971209589 /nfs/dbraw/zinc/20/95/89/971209589.db2.gz HHGHWSBCJRONAS-QGZVFWFLSA-N 0 3 421.379 3.977 20 5 HHBDHN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H](c2cccc(C(F)(F)F)c2)N(C)C)n1 ZINC000553189757 1013149986 /nfs/dbraw/zinc/14/99/86/1013149986.db2.gz JOCSTZSLIVRSMV-HNNXBMFYSA-N 0 3 412.368 3.510 20 5 HHBDHN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](NCC[C@H]1CCOC1)c1ccccc1 ZINC000542211837 1013159000 /nfs/dbraw/zinc/15/90/00/1013159000.db2.gz SGTVEVCQUODPSA-LIRRHRJNSA-N 0 3 403.866 3.944 20 5 HHBDHN COc1cc(CN2CCN(C3CCC3)CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000537629915 1013182716 /nfs/dbraw/zinc/18/27/16/1013182716.db2.gz GVKKTCFCNMRHAS-UHFFFAOYSA-N 0 3 411.502 3.853 20 5 HHBDHN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000303849740 972389389 /nfs/dbraw/zinc/38/93/89/972389389.db2.gz OEDBVEAXAHOIEF-SFHVURJKSA-N 0 3 419.485 3.517 20 5 HHBDHN O=C(NC[C@@H](c1ccccc1)N1CCCC1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000011652482 962153585 /nfs/dbraw/zinc/15/35/85/962153585.db2.gz BICGIWSKHMTFIC-QHCPKHFHSA-N 0 3 422.529 3.765 20 5 HHBDHN Cc1ccc(CN(CCN(C)C)C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)o1 ZINC000051469371 964582764 /nfs/dbraw/zinc/58/27/64/964582764.db2.gz VDEIZCGLDTZVHC-UHFFFAOYSA-N 0 3 414.487 3.824 20 5 HHBDHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000537952804 1013533461 /nfs/dbraw/zinc/53/34/61/1013533461.db2.gz UBUPFXWBGDYLLJ-SJCJKPOMSA-N 0 3 411.380 3.654 20 5 HHBDHN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@H](C)CN2CCCCC2)cc1 ZINC000027766775 964966594 /nfs/dbraw/zinc/96/65/94/964966594.db2.gz JYCBCCOEWZFTEW-MRXNPFEDSA-N 0 3 413.474 4.000 20 5 HHBDHN O=[N+]([O-])c1ccccc1C[C@@H](NCCS(=O)(=O)c1ccc(Cl)cc1)C1CC1 ZINC000537965862 1013543184 /nfs/dbraw/zinc/54/31/84/1013543184.db2.gz IBXYZMVKSSRNFR-GOSISDBHSA-N 0 3 408.907 3.633 20 5 HHBDHN O=C(CCCNc1ccc([N+](=O)[O-])cc1)NC[C@@H](c1cccs1)N1CCCC1 ZINC000028483653 965114540 /nfs/dbraw/zinc/11/45/40/965114540.db2.gz PLIFFDINOSZLIU-SFHVURJKSA-N 0 3 402.520 3.802 20 5 HHBDHN C[C@H](Nc1ccc(C(=O)NCCN2CCC[C@@H](C)C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000057171733 965324006 /nfs/dbraw/zinc/32/40/06/965324006.db2.gz CLFISMLUDSTYCB-SJORKVTESA-N 0 3 411.506 3.625 20 5 HHBDHN Cc1c(Cl)cc(S(=O)(=O)NCc2ccccc2CN2CCCC2)cc1[N+](=O)[O-] ZINC000031075463 965885765 /nfs/dbraw/zinc/88/57/65/965885765.db2.gz VMRVIPQXKNNBAE-UHFFFAOYSA-N 0 3 423.922 3.631 20 5 HHBDHN CCN1CCN(C[C@@H](C)CNc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000060380221 966122305 /nfs/dbraw/zinc/12/23/05/966122305.db2.gz IVJPSYREFUANGV-SFHVURJKSA-N 0 3 410.518 3.511 20 5 HHBDHN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCN([C@@H](C)c3ccccc3)C2)cc1OC ZINC000056168452 966243700 /nfs/dbraw/zinc/24/37/00/966243700.db2.gz IJHALIPRQWCACJ-RDJZCZTQSA-N 0 3 413.474 3.567 20 5 HHBDHN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](NC[C@H]1CCCOC1)c1ccccc1 ZINC000056205931 966258147 /nfs/dbraw/zinc/25/81/47/966258147.db2.gz QASWZAXYXJVVDT-AUUYWEPGSA-N 0 3 403.866 3.944 20 5 HHBDHN O=C(NCc1ccccc1[N+](=O)[O-])Nc1ccc(CCN2CCSCC2)cc1 ZINC000061790799 966555584 /nfs/dbraw/zinc/55/55/84/966555584.db2.gz KBYUOYFOISAGCW-UHFFFAOYSA-N 0 3 400.504 3.508 20 5 HHBDHN CN(C)CCN(Cc1cccc(Cl)c1)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000062499657 966692561 /nfs/dbraw/zinc/69/25/61/966692561.db2.gz NDTRXEWRUDSMRG-UHFFFAOYSA-N 0 3 404.898 3.564 20 5 HHBDHN Cc1c(NC(=O)CCN[C@H](C)c2cccc(N3CCCC3=O)c2)cccc1[N+](=O)[O-] ZINC000538210990 1013764532 /nfs/dbraw/zinc/76/45/32/1013764532.db2.gz PGWPKFJTVSCCLB-MRXNPFEDSA-N 0 3 410.474 3.709 20 5 HHBDHN C[C@@H]1C[C@@H]1N1CCN(C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000554132838 1013814543 /nfs/dbraw/zinc/81/45/43/1013814543.db2.gz WGTMAHUCGKLALU-IXFSTUDKSA-N 0 3 423.513 3.976 20 5 HHBDHN CCN1CCC[C@H]1CNC(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 ZINC000068711838 968785145 /nfs/dbraw/zinc/78/51/45/968785145.db2.gz XGCWKNALKHHIDA-AWEZNQCLSA-N 0 3 406.533 3.725 20 5 HHBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC000072045771 968956804 /nfs/dbraw/zinc/95/68/04/968956804.db2.gz WPSJNRRMWAKCOC-CQSZACIVSA-N 0 3 423.485 3.944 20 5 HHBDHN Cn1cc(CNCc2ccccc2Cn2cccn2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237772372 970362577 /nfs/dbraw/zinc/36/25/77/970362577.db2.gz YIBKLHVNEHVGAF-UHFFFAOYSA-N 0 3 402.458 3.530 20 5 HHBDHN Cc1nc(COc2ccc(CN3CCC(n4ccc([N+](=O)[O-])n4)CC3)cc2)cs1 ZINC000425984625 974095328 /nfs/dbraw/zinc/09/53/28/974095328.db2.gz JVFVFJPUMKXMKL-UHFFFAOYSA-N 0 3 413.503 3.972 20 5 HHBDHN COc1cc(Br)ccc1CN[C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000427893125 975335679 /nfs/dbraw/zinc/33/56/79/975335679.db2.gz OEOAJWXWJZVNJL-GFCCVEGCSA-N 0 3 422.279 3.873 20 5 HHBDHN CCc1ccc([C@H](CNC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)N(C)C)cc1 ZINC000427920059 975350233 /nfs/dbraw/zinc/35/02/33/975350233.db2.gz COXZDCOSQSYGRD-FQEVSTJZSA-N 0 3 422.485 3.503 20 5 HHBDHN O=C(Nc1cccc(CN2CC[C@@H](O)C2)c1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000428531157 975824836 /nfs/dbraw/zinc/82/48/36/975824836.db2.gz ADFWDLJOWLDSJW-GOSISDBHSA-N 0 3 413.477 3.500 20 5 HHBDHN O=[N+]([O-])c1ccc(NC[C@H]2CN(Cc3ccccc3)CCCO2)c(OC(F)F)c1 ZINC000428668164 975963025 /nfs/dbraw/zinc/96/30/25/975963025.db2.gz YNFSQFDMJJSPDZ-KRWDZBQOSA-N 0 3 407.417 3.899 20 5 HHBDHN O=[N+]([O-])c1ccc(NC[C@H]2CN(Cc3ccccc3)CCCO2)cc1OC(F)F ZINC000428675130 975968420 /nfs/dbraw/zinc/96/84/20/975968420.db2.gz KSLRRWDQGLRKFA-KRWDZBQOSA-N 0 3 407.417 3.899 20 5 HHBDHN COc1ccccc1-c1noc(C2CCN(CCOc3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000433177083 979120006 /nfs/dbraw/zinc/12/00/06/979120006.db2.gz PWGQGZRWEZQVGZ-UHFFFAOYSA-N 0 3 424.457 3.912 20 5 HHBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC(c2ncc(C)s2)CC1 ZINC000433286996 979217147 /nfs/dbraw/zinc/21/71/47/979217147.db2.gz OSGLMSFNPKPYJZ-UHFFFAOYSA-N 0 3 404.492 3.577 20 5 HHBDHN Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000434318879 980081195 /nfs/dbraw/zinc/08/11/95/980081195.db2.gz VVKAEHOFIISSGP-FQEVSTJZSA-N 0 3 405.458 3.799 20 5 HHBDHN Cc1cc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)n([C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000435267358 980750534 /nfs/dbraw/zinc/75/05/34/980750534.db2.gz MLLKYUZXUGAHPD-IBGZPJMESA-N 0 3 423.448 3.938 20 5 HHBDHN Cc1cc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)n([C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000435267359 980750574 /nfs/dbraw/zinc/75/05/74/980750574.db2.gz MLLKYUZXUGAHPD-LJQANCHMSA-N 0 3 423.448 3.938 20 5 HHBDHN Cc1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)n([C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000435293921 980764061 /nfs/dbraw/zinc/76/40/61/980764061.db2.gz DUEJYSQEKAUZAX-OAQYLSRUSA-N 0 3 419.485 3.728 20 5 HHBDHN Cc1cc(C(=O)Nc2ccnn2[C@@H]2CCN(Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000435370497 980819743 /nfs/dbraw/zinc/81/97/43/980819743.db2.gz ISYSKOLRQNSSIN-LJQANCHMSA-N 0 3 405.458 3.799 20 5 HHBDHN Cc1sc(C(=O)Nc2ccnn2[C@@H]2CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000435371349 980820587 /nfs/dbraw/zinc/82/05/87/980820587.db2.gz MGTUYCKZHGUJMU-MRXNPFEDSA-N 0 3 411.487 3.861 20 5 HHBDHN C[C@H]1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC000437473190 982102351 /nfs/dbraw/zinc/10/23/51/982102351.db2.gz GHYZHPSOKKOFAH-KRWDZBQOSA-N 0 3 408.502 3.906 20 5 HHBDHN CCN1CCN(c2ccc(C(=O)N(Cc3ccccc3[N+](=O)[O-])C3CC3)cc2)CC1 ZINC000437501653 982128175 /nfs/dbraw/zinc/12/81/75/982128175.db2.gz ZZLUDQFNDQVVDO-UHFFFAOYSA-N 0 3 408.502 3.542 20 5 HHBDHN O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437991399 982510625 /nfs/dbraw/zinc/51/06/25/982510625.db2.gz XKMYYLUUXDFHOF-HXUWFJFHSA-N 0 3 408.502 3.933 20 5 HHBDHN CCN(C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000438654450 982971853 /nfs/dbraw/zinc/97/18/53/982971853.db2.gz GJCDTXCYLZVKHE-IEBWSBKVSA-N 0 3 424.501 3.526 20 5 HHBDHN CCN(C(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000438662301 982980166 /nfs/dbraw/zinc/98/01/66/982980166.db2.gz WSJXMMXRHHQUIC-XLIONFOSSA-N 0 3 424.501 3.526 20 5 HHBDHN C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCCN2Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000439012183 983209480 /nfs/dbraw/zinc/20/94/80/983209480.db2.gz SZQSVPSWDQYAQC-FDPIWHGQSA-N 0 3 400.479 3.796 20 5 HHBDHN CC(C)c1ccc(C(=O)Nc2cccc(CN3CCC(C(N)=O)CC3)c2)cc1[N+](=O)[O-] ZINC000439123095 983260997 /nfs/dbraw/zinc/26/09/97/983260997.db2.gz JRRDRDGIMXCJEA-UHFFFAOYSA-N 0 3 424.501 3.668 20 5 HHBDHN C[C@@H](NCc1ccccc1CN(C)Cc1ccco1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000439590108 983463459 /nfs/dbraw/zinc/46/34/59/983463459.db2.gz AASOBIUVPGIORP-QGZVFWFLSA-N 0 3 422.485 3.937 20 5 HHBDHN COc1ccc([C@H](CNc2ccc([N+](=O)[O-])cc2OC(F)F)N(C)C)cc1OC ZINC000443447938 985612838 /nfs/dbraw/zinc/61/28/38/985612838.db2.gz SQCRFIPTGNJHEQ-HNNXBMFYSA-N 0 3 411.405 3.928 20 5 HHBDHN CCOC(=O)c1ccnc(NC[C@@H]2CCCN(C)[C@H]2c2cccs2)c1[N+](=O)[O-] ZINC000462870243 985795033 /nfs/dbraw/zinc/79/50/33/985795033.db2.gz IUNMTIDYEGZPIH-XJKSGUPXSA-N 0 3 404.492 3.723 20 5 HHBDHN O=C1[C@@H](NC/C=C/c2ccccc2[N+](=O)[O-])CCCN1Cc1ccc(F)cc1F ZINC000468995569 986701427 /nfs/dbraw/zinc/70/14/27/986701427.db2.gz MAKBLCVYJPWUFO-NAASZUNDSA-N 0 3 401.413 3.667 20 5 HHBDHN CN(C)[C@@H](CNc1ncnc2cccc([N+](=O)[O-])c21)c1cccc(C(F)(F)F)c1 ZINC000469544420 987216723 /nfs/dbraw/zinc/21/67/23/987216723.db2.gz IQJNKWUDFQGOET-INIZCTEOSA-N 0 3 405.380 4.272 20 5 HHBDHN COC(=O)[C@@H]1CCN(Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)[C@H]1C ZINC000470156130 988065995 /nfs/dbraw/zinc/06/59/95/988065995.db2.gz JKYHWYNIXGUOBC-HNAYVOBHSA-N 0 3 414.458 3.566 20 5 HHBDHN COC(=O)[C@@H]1CCN(Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)[C@@H]1C ZINC000470156129 988066093 /nfs/dbraw/zinc/06/60/93/988066093.db2.gz JKYHWYNIXGUOBC-DNVCBOLYSA-N 0 3 414.458 3.566 20 5 HHBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000463963382 988075908 /nfs/dbraw/zinc/07/59/08/988075908.db2.gz GZPSBNIOZHQQOG-ROUUACIJSA-N 0 3 418.538 3.955 20 5 HHBDHN CN(C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000470675215 988699597 /nfs/dbraw/zinc/69/95/97/988699597.db2.gz YLMYBAMELMTAMM-HXUWFJFHSA-N 0 3 408.502 3.906 20 5 HHBDHN COc1ccc(NC(=O)CCN[C@@H](C)c2cn(C(C)(C)C)nc2C)c([N+](=O)[O-])c1 ZINC000464635912 988812106 /nfs/dbraw/zinc/81/21/06/988812106.db2.gz QEFHXUQLPJGKIX-ZDUSSCGKSA-N 0 3 403.483 3.543 20 5 HHBDHN C[C@H]1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CCN1Cc1ccccc1 ZINC000464837140 989080247 /nfs/dbraw/zinc/08/02/47/989080247.db2.gz SOTTZUSQWALUIJ-KRWDZBQOSA-N 0 3 407.474 3.741 20 5 HHBDHN Cc1c(NC(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)cccc1[N+](=O)[O-] ZINC000471116319 989220017 /nfs/dbraw/zinc/22/00/17/989220017.db2.gz MGESLWUCSNLPOK-UHFFFAOYSA-N 0 3 400.401 3.830 20 5 HHBDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000467215298 992539888 /nfs/dbraw/zinc/53/98/88/992539888.db2.gz GWPVDRSVQZGJRU-LIRRHRJNSA-N 0 3 402.882 3.568 20 5 HHBDHN C[C@H]1C[C@@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)CN1Cc1ccccc1 ZINC000467232423 992554140 /nfs/dbraw/zinc/55/41/40/992554140.db2.gz XKABPWCHUOUKBO-WMLDXEAASA-N 0 3 402.882 3.710 20 5 HHBDHN COCC[C@H]1CCCCN(Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C1 ZINC000467279899 992601931 /nfs/dbraw/zinc/60/19/31/992601931.db2.gz URWMBBSRTQMHEE-CQSZACIVSA-N 0 3 402.438 3.886 20 5 HHBDHN COC(=O)COc1ccc(CN[C@@H]2c3cccc(F)c3CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000474351630 995331287 /nfs/dbraw/zinc/33/12/87/995331287.db2.gz LVNKXFKQIBWNGL-ZSEKCTLFSA-N 0 3 402.422 3.699 20 5 HHBDHN CCOc1cc(NC(=O)N2CCN(C3CCCCC3)CC2)c([N+](=O)[O-])cc1OCC ZINC000482754844 995726995 /nfs/dbraw/zinc/72/69/95/995726995.db2.gz KXPBSMRIECMNPN-UHFFFAOYSA-N 0 3 420.510 3.874 20 5 HHBDHN O=C(CSc1ccc([N+](=O)[O-])cc1)NCC1(N2CCSCC2)CCCCC1 ZINC000482878797 995812079 /nfs/dbraw/zinc/81/20/79/995812079.db2.gz FZPFSMVQRNHTKY-UHFFFAOYSA-N 0 3 409.577 3.555 20 5 HHBDHN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000482913344 995842577 /nfs/dbraw/zinc/84/25/77/995842577.db2.gz YNXXIBAGWPKEJI-KRWDZBQOSA-N 0 3 419.884 3.958 20 5 HHBDHN CC(C)[C@H](CCO)N[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000475129354 995941130 /nfs/dbraw/zinc/94/11/30/995941130.db2.gz JRZBCDFAPUEFLO-HKUYNNGSSA-N 0 3 405.882 3.925 20 5 HHBDHN CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)C[C@H]1N1CCCC1 ZINC000483374462 996135647 /nfs/dbraw/zinc/13/56/47/996135647.db2.gz AKOVLPFCXQUQID-IEBWSBKVSA-N 0 3 423.604 3.995 20 5 HHBDHN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](N2CCCC2)[C@@H](SC)C1 ZINC000483398134 996150923 /nfs/dbraw/zinc/15/09/23/996150923.db2.gz TXBBITXINSBXHD-AEFFLSMTSA-N 0 3 409.577 3.749 20 5 HHBDHN COc1cc(CN[C@H]2CCCC[C@H]2n2cccn2)c([N+](=O)[O-])cc1OCC(F)F ZINC000484626105 996959170 /nfs/dbraw/zinc/95/91/70/996959170.db2.gz XZVRVXXPIXKEIV-LSDHHAIUSA-N 0 3 410.421 3.717 20 5 HHBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H]1CCCC[C@@H]1Oc1ccccc1C ZINC000484660308 996998800 /nfs/dbraw/zinc/99/88/00/996998800.db2.gz ZNGZFSJSNHDCNB-PXNSSMCTSA-N 0 3 413.474 3.830 20 5 HHBDHN CCN1CCN(Cc2ccc(NC(=O)c3c(C)cc(Cl)cc3[N+](=O)[O-])cc2)CC1 ZINC000477284126 997965094 /nfs/dbraw/zinc/96/50/94/997965094.db2.gz UEDAMYPMMHNYLT-UHFFFAOYSA-N 0 3 416.909 3.946 20 5 HHBDHN CSc1cccc(C(=O)Nc2cccc3c2CCN(CC(C)(C)O)C3)c1[N+](=O)[O-] ZINC000485520126 997976610 /nfs/dbraw/zinc/97/66/10/997976610.db2.gz PQPFTVBXCPFHBV-UHFFFAOYSA-N 0 3 415.515 3.698 20 5 HHBDHN Cc1ccc(CN(C)[C@H](C)c2ccc(N3CCCS3(=O)=O)cc2)cc1[N+](=O)[O-] ZINC000485707768 998173703 /nfs/dbraw/zinc/17/37/03/998173703.db2.gz YFYVFLRQQVHASH-MRXNPFEDSA-N 0 3 403.504 3.636 20 5 HHBDHN O=C(c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])N1CC[C@H](N2CCCCC2)C1 ZINC000485940866 998385437 /nfs/dbraw/zinc/38/54/37/998385437.db2.gz MZUHJAUVLMEJLT-IBGZPJMESA-N 0 3 409.486 3.874 20 5 HHBDHN COCCN1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)CC1 ZINC000485991455 998433498 /nfs/dbraw/zinc/43/34/98/998433498.db2.gz VIRHCCOXGNUUSF-UHFFFAOYSA-N 0 3 415.515 3.587 20 5 HHBDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000486300802 998702368 /nfs/dbraw/zinc/70/23/68/998702368.db2.gz VAALPIALYZLJJM-HNAYVOBHSA-N 0 3 416.909 3.925 20 5 HHBDHN COc1ccc(C(=O)N(CCN2CCCC2)Cc2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000477990727 998703135 /nfs/dbraw/zinc/70/31/35/998703135.db2.gz USTMAVVKOVJKLR-UHFFFAOYSA-N 0 3 417.893 3.995 20 5 HHBDHN C[C@@H]1CCN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CCN1Cc1ccccc1 ZINC000486549443 998820460 /nfs/dbraw/zinc/82/04/60/998820460.db2.gz NTSARVGTDDGARQ-OAHLLOKOSA-N 0 3 403.429 3.539 20 5 HHBDHN COc1ccc([C@@H](CNC(=O)NCc2cccc([N+](=O)[O-])c2C)N2CCCC2)cc1 ZINC000478444058 998961987 /nfs/dbraw/zinc/96/19/87/998961987.db2.gz LLZCSQJFHTWWLN-OAQYLSRUSA-N 0 3 412.490 3.548 20 5 HHBDHN Cc1c(CN[C@@H](C)CC(=O)Nc2ccc(NC(=O)C3CC3)cc2)cccc1[N+](=O)[O-] ZINC000478501259 998996868 /nfs/dbraw/zinc/99/68/68/998996868.db2.gz QAYUAKUECSOPJQ-AWEZNQCLSA-N 0 3 410.474 3.759 20 5 HHBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(CN2CCC(O)CC2)c1 ZINC000488689518 999574030 /nfs/dbraw/zinc/57/40/30/999574030.db2.gz LQJPUEKMPOTWGA-HNNXBMFYSA-N 0 3 415.515 3.671 20 5 HHBDHN COc1cc(C(=O)Nc2ccc(CCN3CCSCC3)cc2)cc([N+](=O)[O-])c1C ZINC000479941217 999656830 /nfs/dbraw/zinc/65/68/30/999656830.db2.gz QDMLTGUSXHQBHL-UHFFFAOYSA-N 0 3 415.515 3.755 20 5 HHBDHN O=[N+]([O-])c1cccc([C@H](NC[C@H]2C[C@@H](O)CN2Cc2ccccc2)c2ccccc2)c1 ZINC000494969377 1000757178 /nfs/dbraw/zinc/75/71/78/1000757178.db2.gz MBPCARREFBOVJL-UBFVSLLYSA-N 0 3 417.509 3.909 20 5 HHBDHN CN1CCC[C@@]2(CCN(C(=O)c3cc(F)cc4c(=O)c5cc(F)ccc5[nH]c34)C2)C1 ZINC000505632985 1000944753 /nfs/dbraw/zinc/94/47/53/1000944753.db2.gz NWCDEKDFOPHNLW-HSZRJFAPSA-N 0 3 411.452 3.517 20 5 HHBDHN C[C@@H]1C[C@H](CCNc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])CN1Cc1ccccc1 ZINC000497539231 1001426241 /nfs/dbraw/zinc/42/62/41/1001426241.db2.gz BGPQMYGYROAFSD-AEFFLSMTSA-N 0 3 417.531 3.711 20 5 HHBDHN CC[C@@H](NC(=O)N[C@@H](CN(C)C)c1ccc(OC)cc1)c1cccc([N+](=O)[O-])c1 ZINC000499099159 1002489712 /nfs/dbraw/zinc/48/97/12/1002489712.db2.gz IBYGMBOLJFSVCO-UXHICEINSA-N 0 3 400.479 3.657 20 5 HHBDHN O=C(NCc1ccccc1[N+](=O)[O-])[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000508569469 1003035011 /nfs/dbraw/zinc/03/50/11/1003035011.db2.gz NAAJLGQZHCCBPR-IBGZPJMESA-N 0 3 407.392 3.666 20 5 HHBDHN CN(C(=O)c1ccc([N+](=O)[O-])c2cccnc12)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000499829673 1003164654 /nfs/dbraw/zinc/16/46/54/1003164654.db2.gz UPIOYVSLSRWDIX-GOSISDBHSA-N 0 3 404.470 3.880 20 5 HHBDHN C[C@H](N[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)[C@@H]1CCOC1 ZINC000500214488 1003556773 /nfs/dbraw/zinc/55/67/73/1003556773.db2.gz AEHXWJXINRVNSX-OHNRDTAOSA-N 0 3 403.866 3.943 20 5 HHBDHN O=C(COc1ccccc1)N1CC[C@@H](NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000509963288 1004234764 /nfs/dbraw/zinc/23/47/64/1004234764.db2.gz KTUQXMQHFRGIKX-QGZVFWFLSA-N 0 3 421.453 3.624 20 5 HHBDHN CCCC(=O)NC[C@H]1CCCN(Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C1 ZINC000512415126 1004282382 /nfs/dbraw/zinc/28/23/82/1004282382.db2.gz JNVXJJJZYFKGKH-MRXNPFEDSA-N 0 3 415.490 3.992 20 5 HHBDHN CN(C)C[C@H](NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000501233657 1004301432 /nfs/dbraw/zinc/30/14/32/1004301432.db2.gz LPZDSONTXPXAPK-KRWDZBQOSA-N 0 3 408.861 3.532 20 5 HHBDHN COc1ccccc1[C@@H]1CC[C@H](C)CN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000510193359 1004388104 /nfs/dbraw/zinc/38/81/04/1004388104.db2.gz QECWNQWECBMNFV-LNLFQRSKSA-N 0 3 400.475 3.816 20 5 HHBDHN CCN(CC)[C@H](CNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1)c1ccsc1 ZINC000510862868 1004897908 /nfs/dbraw/zinc/89/79/08/1004897908.db2.gz XCLQVOSYPWGJEE-LJQANCHMSA-N 0 3 404.536 3.923 20 5 HHBDHN O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CCN(C2CCCC2)CC1 ZINC000502097456 1004902006 /nfs/dbraw/zinc/90/20/06/1004902006.db2.gz KQELAYWLESYRFK-UHFFFAOYSA-N 0 3 405.296 3.970 20 5 HHBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC([C@@H](F)c2ccccc2F)CC1 ZINC000511127606 1005033463 /nfs/dbraw/zinc/03/34/63/1005033463.db2.gz WITVHGQMRFVPTD-HRAATJIYSA-N 0 3 406.429 3.896 20 5 HHBDHN Cc1csc(Sc2ccc(C(=O)N[C@@H](C)C3=CCN(C)CC3)cc2[N+](=O)[O-])n1 ZINC000511343161 1005131763 /nfs/dbraw/zinc/13/17/63/1005131763.db2.gz KDNVSFGYMAZUCX-ZDUSSCGKSA-N 0 3 418.544 3.891 20 5 HHBDHN O=C(N[C@@H](CN1CCCC1)c1ccccc1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000514159967 1005293758 /nfs/dbraw/zinc/29/37/58/1005293758.db2.gz JFODYCYUDLRYKQ-INIZCTEOSA-N 0 3 405.401 3.763 20 5 HHBDHN O=C(N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000511745103 1005303847 /nfs/dbraw/zinc/30/38/47/1005303847.db2.gz RBPDHBBBMQLNPT-FCHUYYIVSA-N 0 3 401.466 3.993 20 5 HHBDHN CC[C@H](CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCc2ccccc2C1 ZINC000534064986 1006037022 /nfs/dbraw/zinc/03/70/22/1006037022.db2.gz LURPKTGMLGUHLA-LJQANCHMSA-N 0 3 406.486 3.572 20 5 HHBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000514576729 1006044582 /nfs/dbraw/zinc/04/45/82/1006044582.db2.gz KHTNNZSLYVWJSU-OAQYLSRUSA-N 0 3 411.502 3.806 20 5 HHBDHN COc1ccc(-c2ccc(CN[C@H]3CCN(c4ncccc4F)C3)o2)c([N+](=O)[O-])c1 ZINC000531783870 1006424562 /nfs/dbraw/zinc/42/45/62/1006424562.db2.gz BNACYNOSOAJFGB-AWEZNQCLSA-N 0 3 412.421 3.766 20 5 HHBDHN CCN1CCN(c2ccc(NC(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)c(C)c2)CC1 ZINC000534654102 1006632601 /nfs/dbraw/zinc/63/26/01/1006632601.db2.gz OZVHFMWZNLASCE-UHFFFAOYSA-N 0 3 421.501 3.708 20 5 HHBDHN C[C@H](CC[S@](C)=O)NCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000532120902 1006653066 /nfs/dbraw/zinc/65/30/66/1006653066.db2.gz WZLHNCNZDULBFH-JNDILOIQSA-N 0 3 415.309 3.864 20 5 HHBDHN COc1cc(CN[C@H](C)Cc2cc(C)n[nH]2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000532269698 1006759402 /nfs/dbraw/zinc/75/94/02/1006759402.db2.gz QBTACUHVTOATPH-OAHLLOKOSA-N 0 3 410.474 3.935 20 5 HHBDHN COc1cc(CN[C@H](C)Cc2cc(C)[nH]n2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000532269698 1006759414 /nfs/dbraw/zinc/75/94/14/1006759414.db2.gz QBTACUHVTOATPH-OAHLLOKOSA-N 0 3 410.474 3.935 20 5 HHBDHN COCCCOC1CCN(Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)CC1 ZINC000538719263 1006992431 /nfs/dbraw/zinc/99/24/31/1006992431.db2.gz XMCLPOGXOZRYRC-UHFFFAOYSA-N 0 3 404.463 3.881 20 5 HHBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3c(-c4ccccc4)nc4ccccn43)C2)nc1 ZINC000533058804 1007421648 /nfs/dbraw/zinc/42/16/48/1007421648.db2.gz OABUZFWLBZYJGR-GOSISDBHSA-N 0 3 414.469 3.991 20 5 HHBDHN O=C(NC[C@H]1CCCN(CCOc2ccccc2[N+](=O)[O-])C1)Nc1cccc(F)c1 ZINC000533371680 1007681979 /nfs/dbraw/zinc/68/19/79/1007681979.db2.gz BERXWKAEBWQLMC-MRXNPFEDSA-N 0 3 416.453 3.646 20 5 HHBDHN CC1CCN([C@H](CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)c2ccccc2)CC1 ZINC000517464129 1007688676 /nfs/dbraw/zinc/68/86/76/1007688676.db2.gz JOCIMRPDYARICT-LJQANCHMSA-N 0 3 411.458 3.527 20 5 HHBDHN CCOc1ccc([C@H](C)N[C@H](CN2CCN(C)CC2)c2ccccc2)cc1[N+](=O)[O-] ZINC000535777532 1007787765 /nfs/dbraw/zinc/78/77/65/1007787765.db2.gz GLUPBZKJSATFCN-GHTZIAJQSA-N 0 3 412.534 3.633 20 5 HHBDHN COc1ccc([C@H](CN2CCCC2)NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000536093889 1008116216 /nfs/dbraw/zinc/11/62/16/1008116216.db2.gz CSIXSNIPCCINGH-IBGZPJMESA-N 0 3 403.866 3.824 20 5 HHBDHN CN(c1ccccc1)c1ccc(CN2CCCC[C@@H]2[C@@H]2CNC(=O)C2)cc1[N+](=O)[O-] ZINC000539923766 1008186701 /nfs/dbraw/zinc/18/67/01/1008186701.db2.gz CPZAUJWJXDRKCZ-AZUAARDMSA-N 0 3 408.502 3.853 20 5 HHBDHN CC[C@H](NC[C@@H](O)COc1ccccc1Br)c1cccc([N+](=O)[O-])c1 ZINC000540160125 1008316294 /nfs/dbraw/zinc/31/62/94/1008316294.db2.gz JJXRUCFBLBBGPQ-WBVHZDCISA-N 0 3 409.280 3.838 20 5 HHBDHN COc1ccc(NC(=O)[C@H](C)N[C@@H](C)c2cccc(N3CCCC3)c2)c([N+](=O)[O-])c1 ZINC000540478876 1008447844 /nfs/dbraw/zinc/44/78/44/1008447844.db2.gz QBSHNTFIOBTXHS-HOTGVXAUSA-N 0 3 412.490 3.881 20 5 HHBDHN COc1ccc(-c2ccc(CN3CCC(OC[C@@H]4CCOC4)CC3)o2)c([N+](=O)[O-])c1 ZINC000543414473 1009006840 /nfs/dbraw/zinc/00/68/40/1009006840.db2.gz CXLHJEJINVZHGK-MRXNPFEDSA-N 0 3 416.474 3.881 20 5 HHBDHN CCN1CCN(c2ccc(NC(=O)[C@H](C)c3ccc([N+](=O)[O-])cc3F)c(C)c2)CC1 ZINC000543440776 1009027881 /nfs/dbraw/zinc/02/78/81/1009027881.db2.gz KZOYKXXLVXMTPM-MRXNPFEDSA-N 0 3 414.481 3.926 20 5 HHBDHN Cc1c([C@@H](C)NCCC(=O)Nc2ccc([N+](=O)[O-])cc2)cnn1-c1ccc(F)cc1 ZINC000543474999 1009065134 /nfs/dbraw/zinc/06/51/34/1009065134.db2.gz WJWFIZUZABYOLI-CQSZACIVSA-N 0 3 411.437 3.907 20 5 HHBDHN CN(C)C[C@@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000549618743 1009247746 /nfs/dbraw/zinc/24/77/46/1009247746.db2.gz XBJSYVHZOBIOBO-GOSISDBHSA-N 0 3 416.909 3.881 20 5 HHBDHN COc1ccc(CN[C@@H](C)CC(=O)Nc2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000543998538 1009599624 /nfs/dbraw/zinc/59/96/24/1009599624.db2.gz MSPMRDKRTCOLQE-LBPRGKRZSA-N 0 3 422.279 3.873 20 5 HHBDHN O=C1[C@@H](NCc2ccc(-c3ccccc3[N+](=O)[O-])s2)CCCN1Cc1ccccn1 ZINC000544182840 1009786329 /nfs/dbraw/zinc/78/63/29/1009786329.db2.gz CFMKZSYCZFYTRR-IBGZPJMESA-N 0 3 422.510 3.999 20 5 HHBDHN C[C@H](c1ccncc1)N1CCC(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000547257174 1010204403 /nfs/dbraw/zinc/20/44/03/1010204403.db2.gz ODADLOGQGBYZRI-OAHLLOKOSA-N 0 3 414.481 3.748 20 5 HHBDHN COc1cc(CNC[C@@H](C)c2nc(C)cs2)c([N+](=O)[O-])cc1OCC(F)F ZINC000544597302 1010223287 /nfs/dbraw/zinc/22/32/87/1010223287.db2.gz ZKPTVMXPMCPKGN-SNVBAGLBSA-N 0 3 401.435 3.906 20 5 HHBDHN CCN(C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000544850795 1010436357 /nfs/dbraw/zinc/43/63/57/1010436357.db2.gz FEQSUJDEUFZMLC-OAQYLSRUSA-N 0 3 422.529 3.932 20 5 HHBDHN CN(C)CCN(Cc1cccc(F)c1)C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000522641515 1011131079 /nfs/dbraw/zinc/13/10/79/1011131079.db2.gz MZYAOQPLJIWQSW-UHFFFAOYSA-N 0 3 423.872 3.747 20 5 HHBDHN CCN(CC)[C@H](CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccsc1 ZINC000536167478 1011297710 /nfs/dbraw/zinc/29/77/10/1011297710.db2.gz NWJMXQUCQRVPSS-LJQANCHMSA-N 0 3 400.504 3.879 20 5 HHBDHN COC(=O)c1ccc2c(c1)CN(CCc1ncc(-c3cccc([N+](=O)[O-])c3)o1)CC2 ZINC000536707598 1011877991 /nfs/dbraw/zinc/87/79/91/1011877991.db2.gz HZUMBELXQJQNMJ-UHFFFAOYSA-N 0 3 407.426 3.637 20 5 HHBDHN O=C([C@@H]1CN(Cc2ccccc2)CCC1(F)F)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000552122811 1012140695 /nfs/dbraw/zinc/14/06/95/1012140695.db2.gz OPQPDJGZDUSEHI-IBGZPJMESA-N 0 3 415.440 3.637 20 5 HHBDHN O=C(Nc1cccc(CN2CC[C@@H](O)C2)c1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000552199039 1012210701 /nfs/dbraw/zinc/21/07/01/1012210701.db2.gz LPPGENJFBYJHCF-GOSISDBHSA-N 0 3 424.482 3.537 20 5 HHBDHN CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000552269831 1012281888 /nfs/dbraw/zinc/28/18/88/1012281888.db2.gz UDPJNXDTXLQVLD-XYEHWOGUSA-N 0 3 409.486 3.641 20 5 HHBDHN O=C1CCCN1C[C@H](NCCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)c1ccccc1 ZINC000537016977 1012318315 /nfs/dbraw/zinc/31/83/15/1012318315.db2.gz CEZAILXMMMUKQF-FQEVSTJZSA-N 0 3 420.469 3.746 20 5 HHBDHN CC(=O)Nc1ccc(OC[C@@H](O)CN(Cc2ccc([N+](=O)[O-])cc2C)C(C)C)cc1 ZINC000541773930 1012641286 /nfs/dbraw/zinc/64/12/86/1012641286.db2.gz OLKYNENPBWLBKA-NRFANRHFSA-N 0 3 415.490 3.512 20 5 HHBDHN CN(C)CCN(Cc1ccccc1)C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000537242825 1012684425 /nfs/dbraw/zinc/68/44/25/1012684425.db2.gz UVRJIYQSMLXKFW-UHFFFAOYSA-N 0 3 404.470 3.861 20 5 HHBDHN COc1ccc([C@H](CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)N2CCCCC2)cc1 ZINC000913088475 1072326975 /nfs/dbraw/zinc/32/69/75/1072326975.db2.gz UDXJOGDRPMRVAO-MNTLFOFUSA-N 0 3 409.486 3.960 20 5 HHBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(Cc1cccs1)[C@@H]1C=C[C@H](CO)C1 ZINC000588208913 1072943351 /nfs/dbraw/zinc/94/33/51/1072943351.db2.gz UTNMUQHECDKRDT-DLBZAZTESA-N 0 3 415.515 3.733 20 5 HHBDHN O=C(Nc1ccc(CN2CCC(O)CC2)cc1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000590319111 1073747520 /nfs/dbraw/zinc/74/75/20/1073747520.db2.gz SWNVNPSGAGZLNS-UHFFFAOYSA-N 0 3 423.391 3.823 20 5 HHBDHN COC(=O)c1c(Cl)c(NC[C@@H](c2cccc(OC)c2)N(C)C)ccc1[N+](=O)[O-] ZINC000590570089 1073920365 /nfs/dbraw/zinc/92/03/65/1073920365.db2.gz USFFRHGLAFKHMT-INIZCTEOSA-N 0 3 407.854 3.758 20 5 HHBDHN O=C(CCNCc1cc(Cl)c2c(c1)OCCCO2)Nc1ccccc1[N+](=O)[O-] ZINC000573625707 1074593896 /nfs/dbraw/zinc/59/38/96/1074593896.db2.gz BSGDLGWKWOYNLM-UHFFFAOYSA-N 0 3 405.838 3.528 20 5 HHBDHN O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC001164627212 719068396 /nfs/dbraw/zinc/06/83/96/719068396.db2.gz PWKRWBLEKOVMLE-UONOGXRCSA-N 0 3 408.289 3.792 20 5 HHBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000301291295 970852417 /nfs/dbraw/zinc/85/24/17/970852417.db2.gz QILKISVJMOKCAQ-HNNXBMFYSA-N 0 3 422.407 3.660 20 5 HHBDHN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](NCC[C@@H]1CCOC1)c1ccccc1 ZINC000542211836 1013158746 /nfs/dbraw/zinc/15/87/46/1013158746.db2.gz SGTVEVCQUODPSA-KUHUBIRLSA-N 0 3 403.866 3.944 20 5 HHBDHN CCN1CCN(c2ccc(NC(=O)CSc3ccc([N+](=O)[O-])cc3)c(C)c2)CC1 ZINC000025185791 964203180 /nfs/dbraw/zinc/20/31/80/964203180.db2.gz CQIILZPEJJVFEM-UHFFFAOYSA-N 0 3 414.531 3.776 20 5 HHBDHN CCOc1ccc(C(=O)Nc2ccc(N3CCN(CC)CC3)cc2C)cc1[N+](=O)[O-] ZINC000026909323 964720149 /nfs/dbraw/zinc/72/01/49/964720149.db2.gz QXDUFNZHQGHQBP-UHFFFAOYSA-N 0 3 412.490 3.696 20 5 HHBDHN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000537946392 1013529561 /nfs/dbraw/zinc/52/95/61/1013529561.db2.gz CWOUTJMEWXWSPO-YVEFUNNKSA-N 0 3 411.380 3.654 20 5 HHBDHN CC[C@@H](NCCNC(=O)c1cccc(Br)c1)c1cccc([N+](=O)[O-])c1 ZINC000537984548 1013559569 /nfs/dbraw/zinc/55/95/69/1013559569.db2.gz ZMEJXXDCNLAUNJ-QGZVFWFLSA-N 0 3 406.280 3.828 20 5 HHBDHN O=[N+]([O-])c1cnccc1NCc1ccccc1CN1CCN(c2ccccc2)CC1 ZINC000060375305 966119679 /nfs/dbraw/zinc/11/96/79/966119679.db2.gz TUWMGZJPLDMDFY-UHFFFAOYSA-N 0 3 403.486 3.924 20 5 HHBDHN CCN1CCN(Cc2ccc(NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 ZINC000041617785 966605538 /nfs/dbraw/zinc/60/55/38/966605538.db2.gz BTLMXRAYODSHSU-UHFFFAOYSA-N 0 3 402.882 3.638 20 5 HHBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000064317038 967136709 /nfs/dbraw/zinc/13/67/09/967136709.db2.gz OUHHSSXGVSDOPI-LJQANCHMSA-N 0 3 423.391 3.997 20 5 HHBDHN CCN(CC)[C@@H](CNC(=O)N(C)Cc1ccccc1[N+](=O)[O-])c1cccc(OC)c1 ZINC000045304671 967413579 /nfs/dbraw/zinc/41/35/79/967413579.db2.gz JDGDBYVLQCNOIK-NRFANRHFSA-N 0 3 414.506 3.828 20 5 HHBDHN CCN1CC[C@H](NCc2ccc(OC)c([N+](=O)[O-])c2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000542923513 1013759403 /nfs/dbraw/zinc/75/94/03/1013759403.db2.gz LENBLUWPUNSWSH-OXJNMPFZSA-N 0 3 409.408 3.946 20 5 HHBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N[C@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000538269205 1013810042 /nfs/dbraw/zinc/81/00/42/1013810042.db2.gz VPOMLQOEZVRNBT-HUUCEWRRSA-N 0 3 423.473 3.775 20 5 HHBDHN CN(C)CCN(Cc1ccc(F)cc1F)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000065937916 968727070 /nfs/dbraw/zinc/72/70/70/968727070.db2.gz FOUGOKJKFPQHEF-UHFFFAOYSA-N 0 3 402.401 3.558 20 5 HHBDHN CN(C)CCN(Cc1ccc(F)cc1F)C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000065938242 968728632 /nfs/dbraw/zinc/72/86/32/968728632.db2.gz BHHQANXQVKKDFB-UHFFFAOYSA-N 0 3 409.458 3.556 20 5 HHBDHN CN(C)CCN(Cc1cccc(F)c1)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000065940402 968731899 /nfs/dbraw/zinc/73/18/99/968731899.db2.gz MLULVMNJISDGKX-UHFFFAOYSA-N 0 3 414.481 3.538 20 5 HHBDHN CCN1CCC[C@@H]1CNC(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 ZINC000068711832 968785123 /nfs/dbraw/zinc/78/51/23/968785123.db2.gz XGCWKNALKHHIDA-CQSZACIVSA-N 0 3 406.533 3.725 20 5 HHBDHN CCc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)N(C)C)cc1 ZINC000069233109 968822306 /nfs/dbraw/zinc/82/23/06/968822306.db2.gz IZIIXDXJQDRKQC-QFIPXVFZSA-N 0 3 410.518 3.790 20 5 HHBDHN CCc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)N(C)C)cc1 ZINC000069233107 968822681 /nfs/dbraw/zinc/82/26/81/968822681.db2.gz IZIIXDXJQDRKQC-JOCHJYFZSA-N 0 3 410.518 3.790 20 5 HHBDHN O=C(NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1[n-]nc2ccc([N+](=O)[O-])cc21 ZINC000071892045 968882950 /nfs/dbraw/zinc/88/29/50/968882950.db2.gz UZYKDEJBVKLQEB-SFHVURJKSA-N 0 3 413.865 3.691 20 5 HHBDHN Cc1nn(C)c(NCc2ccccc2CN2CCN(c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000071953412 968906554 /nfs/dbraw/zinc/90/65/54/968906554.db2.gz QFVAPEBBQGQUGU-UHFFFAOYSA-N 0 3 420.517 3.571 20 5 HHBDHN Cc1ccc([C@@H](CNC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)N2CCCC2)cc1 ZINC000109505019 969525886 /nfs/dbraw/zinc/52/58/86/969525886.db2.gz WVYIFHDAALMOLF-JOCHJYFZSA-N 0 3 419.485 3.656 20 5 HHBDHN CCCCNC(=O)c1ccc(CNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000236801910 970174822 /nfs/dbraw/zinc/17/48/22/970174822.db2.gz NJYHVMKHQWKQBT-UHFFFAOYSA-N 0 3 421.501 3.815 20 5 HHBDHN CCOc1ccc([N+](=O)[O-])cc1CNC1CCN(C(=O)NC2CCCCC2)CC1 ZINC000236838784 970178226 /nfs/dbraw/zinc/17/82/26/970178226.db2.gz XKNWBCFBGIXSRZ-UHFFFAOYSA-N 0 3 404.511 3.590 20 5 HHBDHN CCOc1ccc([N+](=O)[O-])cc1CNCc1ccccc1CN1C[C@@H](C)O[C@H](C)C1 ZINC000236854056 970180657 /nfs/dbraw/zinc/18/06/57/970180657.db2.gz VYBSOSNSTMBCPS-QZTJIDSGSA-N 0 3 413.518 3.893 20 5 HHBDHN CCO[C@@H]1C[C@H](NCc2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])C12CCC2 ZINC000236890467 970185083 /nfs/dbraw/zinc/18/50/83/970185083.db2.gz IHXJUHMJLFGRHD-DLBZAZTESA-N 0 3 418.412 3.982 20 5 HHBDHN COc1ccc(CNC(=O)CNCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000237312866 970260707 /nfs/dbraw/zinc/26/07/07/970260707.db2.gz IBMNZCNGKCEHLI-UHFFFAOYSA-N 0 3 411.483 3.738 20 5 HHBDHN O=C(c1ccco1)N1CCC(NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000237916036 970394355 /nfs/dbraw/zinc/39/43/55/970394355.db2.gz CXYSCVCMFMSYHC-UHFFFAOYSA-N 0 3 412.471 3.706 20 5 HHBDHN Cc1ccc(NC(=O)NCCCCN2CCN(c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000409678401 973140624 /nfs/dbraw/zinc/14/06/24/973140624.db2.gz LUELHEFOSVXFJM-UHFFFAOYSA-N 0 3 411.506 3.627 20 5 HHBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])NCc1cc(C)nc(N2CCCC2)n1 ZINC000426320734 974395169 /nfs/dbraw/zinc/39/51/69/974395169.db2.gz YZGGNKQEXXLOBU-MRXNPFEDSA-N 0 3 401.536 3.954 20 5 HHBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC(CCN3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000427297944 975034670 /nfs/dbraw/zinc/03/46/70/975034670.db2.gz YABKMGLROYSUJQ-IYBDPMFKSA-N 0 3 421.563 3.668 20 5 HHBDHN CC(C)N1CCN(c2ccc(C(=O)N(Cc3cccc([N+](=O)[O-])c3)C3CC3)cc2)CC1 ZINC000427580665 975197678 /nfs/dbraw/zinc/19/76/78/975197678.db2.gz PZSMMLATQNXXAZ-UHFFFAOYSA-N 0 3 422.529 3.930 20 5 HHBDHN O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CN[C@H](CO)CC(F)F)cc1 ZINC000428656321 975955782 /nfs/dbraw/zinc/95/57/82/975955782.db2.gz PKVACWLTBDXXCE-INIZCTEOSA-N 0 3 402.401 3.553 20 5 HHBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC(c2ncccc2Cl)CC1 ZINC000429211809 976506570 /nfs/dbraw/zinc/50/65/70/976506570.db2.gz MMFWETZABJPQJZ-UHFFFAOYSA-N 0 3 418.881 3.860 20 5 HHBDHN Cc1ccc(NC(=O)N2CCC(CCN3C[C@@H](C)O[C@@H](C)C3)CC2)cc1[N+](=O)[O-] ZINC000429217833 976512054 /nfs/dbraw/zinc/51/20/54/976512054.db2.gz UDLHZXIYXSNOAT-CALCHBBNSA-N 0 3 404.511 3.646 20 5 HHBDHN CC(C)(NCCC(=O)Nc1ccc(N2CCCC2=O)cc1)c1ccccc1[N+](=O)[O-] ZINC000429253617 976542101 /nfs/dbraw/zinc/54/21/01/976542101.db2.gz BUKPBRKNIZDGQA-UHFFFAOYSA-N 0 3 410.474 3.575 20 5 HHBDHN CCO[C@@H]1C[C@@H](N[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C12CCCCC2 ZINC000429787022 977067613 /nfs/dbraw/zinc/06/76/13/977067613.db2.gz MKHMDWBKBWTJEF-GDIGMMSISA-N 0 3 405.495 3.648 20 5 HHBDHN Cc1ccc([C@H](CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])N(C)C)cc1 ZINC000431037748 977969915 /nfs/dbraw/zinc/96/99/15/977969915.db2.gz PRPLMVQHGPIVBB-KRWDZBQOSA-N 0 3 406.280 3.698 20 5 HHBDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000431472431 978319609 /nfs/dbraw/zinc/31/96/09/978319609.db2.gz PZKAHJJMAJBSGK-SUMWQHHRSA-N 0 3 418.291 3.923 20 5 HHBDHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431786508 978512999 /nfs/dbraw/zinc/51/29/99/978512999.db2.gz DGYDOEDRRYAPPP-UHFFFAOYSA-N 0 3 424.270 3.700 20 5 HHBDHN COc1ccc(NC(=O)CCN2CCC(c3ncc(C)s3)CC2)c([N+](=O)[O-])c1 ZINC000433139032 979093939 /nfs/dbraw/zinc/09/39/39/979093939.db2.gz VGJNTMOKKWLUNT-UHFFFAOYSA-N 0 3 404.492 3.577 20 5 HHBDHN C[C@H](Nc1ccc(C(=O)NC[C@@H]2CCCCN2C2CC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000434420645 980160888 /nfs/dbraw/zinc/16/08/88/980160888.db2.gz HLMWHSNCIOMTJX-LPHOPBHVSA-N 0 3 423.517 3.910 20 5 HHBDHN O=C(CCc1cccc([N+](=O)[O-])c1)Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000435371320 980820626 /nfs/dbraw/zinc/82/06/26/980820626.db2.gz UMOZTUIFRGURGT-OAQYLSRUSA-N 0 3 419.485 3.810 20 5 HHBDHN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N(CCn1ccnc1)Cc1cccc(Cl)c1 ZINC000436017914 981158285 /nfs/dbraw/zinc/15/82/85/981158285.db2.gz IKSKMLJAYPRFRS-UHFFFAOYSA-N 0 3 424.848 3.664 20 5 HHBDHN CC1(C)C[C@H]([NH2+]C2CCN(C(=O)c3ccccc3[O-])CC2)c2cc([N+](=O)[O-])ccc21 ZINC000436985098 981667393 /nfs/dbraw/zinc/66/73/93/981667393.db2.gz CBFWTSWFAAZSTL-FQEVSTJZSA-N 0 3 409.486 3.917 20 5 HHBDHN C[C@H]1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CCN1Cc1ccccc1 ZINC000437472899 982101655 /nfs/dbraw/zinc/10/16/55/982101655.db2.gz KPCZWWKOIWWBJL-IBGZPJMESA-N 0 3 410.518 3.910 20 5 HHBDHN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(CCN(C)C)Cc1cccs1 ZINC000438539936 982877894 /nfs/dbraw/zinc/87/78/94/982877894.db2.gz YYFDBZHWTKEDCY-CYBMUJFWSA-N 0 3 411.911 3.667 20 5 HHBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCN(C2CCC(C(C)C)CC2)CC1 ZINC000438554287 982894754 /nfs/dbraw/zinc/89/47/54/982894754.db2.gz RXXRJAPFPMLYOP-UHFFFAOYSA-N 0 3 402.539 3.674 20 5 HHBDHN C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCCN2Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000439013902 983210244 /nfs/dbraw/zinc/21/02/44/983210244.db2.gz YTSIZZXJGSAGKA-AXUOBQJMSA-N 0 3 400.479 3.796 20 5 HHBDHN C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCCN2Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000439014664 983210998 /nfs/dbraw/zinc/21/09/98/983210998.db2.gz ITNVLQZZHAQONU-AXUOBQJMSA-N 0 3 400.479 3.796 20 5 HHBDHN C[C@H](Nc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])[C@@H](c1ccccc1)N(C)C ZINC000439126892 983263171 /nfs/dbraw/zinc/26/31/71/983263171.db2.gz GEZSIVGTZWUXTL-YWZLYKJASA-N 0 3 407.474 3.663 20 5 HHBDHN C[C@H](c1ccncc1)N1CCC(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000439766798 983530269 /nfs/dbraw/zinc/53/02/69/983530269.db2.gz IDBDKANYQLUZKM-CQSZACIVSA-N 0 3 402.882 3.528 20 5 HHBDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000462182235 985161821 /nfs/dbraw/zinc/16/18/21/985161821.db2.gz SWWMLNADFINOFC-DYVFJYSZSA-N 0 3 418.291 3.608 20 5 HHBDHN COC(=O)c1ccccc1C(=O)c1ccc(N[C@@H]2CCN(C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000462874195 985798350 /nfs/dbraw/zinc/79/83/50/985798350.db2.gz MIJOXVUYHSPKGI-GDBMZVCRSA-N 0 3 411.458 3.507 20 5 HHBDHN O=C(c1cccc2c(=O)c3cccc(F)c3[nH]c12)N1CCCC[C@@H](N2CCCC2)C1 ZINC000444008426 986204077 /nfs/dbraw/zinc/20/40/77/986204077.db2.gz IKWWTDMULNNLPN-MRXNPFEDSA-N 0 3 407.489 3.911 20 5 HHBDHN CC1CCN([C@H](CNC(=O)CN(C)c2ccccc2[N+](=O)[O-])c2cccs2)CC1 ZINC000463453243 986433862 /nfs/dbraw/zinc/43/38/62/986433862.db2.gz FZFPSVKKVYWYCH-LJQANCHMSA-N 0 3 416.547 3.682 20 5 HHBDHN CSc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(CN3CCC(CO)CC3)c2)c1 ZINC000444550023 986741172 /nfs/dbraw/zinc/74/11/72/986741172.db2.gz QFVVAWTWSBHCLR-UHFFFAOYSA-N 0 3 415.515 3.773 20 5 HHBDHN C[C@H](N[C@H]1CC(C)(C)OC1(C)C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000444644826 986829313 /nfs/dbraw/zinc/82/93/13/986829313.db2.gz YHCXLPMYFHAAST-LRDDRELGSA-N 0 3 418.519 3.981 20 5 HHBDHN C[C@H](CNC(=O)c1sc(Br)cc1[N+](=O)[O-])N(C)Cc1ccccc1 ZINC000445179360 987262260 /nfs/dbraw/zinc/26/22/60/987262260.db2.gz FOQSGOBNVDTXBJ-LLVKDONJSA-N 0 3 412.309 3.669 20 5 HHBDHN CC(C)CN(C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])C1CCN(C)CC1 ZINC000464564854 988742213 /nfs/dbraw/zinc/74/22/13/988742213.db2.gz GRDLNIFDASFBBE-UHFFFAOYSA-N 0 3 417.428 3.728 20 5 HHBDHN COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)cc1SC ZINC000467047989 992357348 /nfs/dbraw/zinc/35/73/48/992357348.db2.gz SXCCIDMDBRCCAF-HOCLYGCPSA-N 0 3 415.515 3.718 20 5 HHBDHN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)NC[C@@H](c1cccs1)N1CCCC1 ZINC000467561834 992842519 /nfs/dbraw/zinc/84/25/19/992842519.db2.gz GUJAKSQYKVSJAB-INIZCTEOSA-N 0 3 408.911 3.946 20 5 HHBDHN CC[C@@H](NCCNC(=O)c1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1 ZINC000480904318 993760766 /nfs/dbraw/zinc/76/07/66/993760766.db2.gz FWTMYQQOBTUKTP-QGZVFWFLSA-N 0 3 406.280 3.828 20 5 HHBDHN Cc1ccc([C@H](C)NCCNC(=O)c2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000480916372 993771566 /nfs/dbraw/zinc/77/15/66/993771566.db2.gz ZFWAHRYVYQSJMG-ZDUSSCGKSA-N 0 3 406.280 3.746 20 5 HHBDHN COc1cc(C(=O)Nc2cc(C)cc(N3CCN(C(C)C)CC3)c2)ccc1[N+](=O)[O-] ZINC000481635312 994501079 /nfs/dbraw/zinc/50/10/79/994501079.db2.gz ALXINGZJUFZWFV-UHFFFAOYSA-N 0 3 412.490 3.695 20 5 HHBDHN COc1cc(CN[C@@H]2CCCO[C@@H]2CC(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000481759533 994612431 /nfs/dbraw/zinc/61/24/31/994612431.db2.gz GWXLBZGTCLBGDX-GDBMZVCRSA-N 0 3 402.438 3.931 20 5 HHBDHN CCN1CCN(c2cccc(NC(=O)NCc3ccc([N+](=O)[O-])cc3Cl)c2)CC1 ZINC000473817589 994744957 /nfs/dbraw/zinc/74/49/57/994744957.db2.gz LEQVFMIJDYVPJT-UHFFFAOYSA-N 0 3 417.897 3.712 20 5 HHBDHN CCOC(=O)C[C@@H]1C[C@H](OC)CN1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000482495124 995505482 /nfs/dbraw/zinc/50/54/82/995505482.db2.gz HRVJTABNKIOTNY-GJZGRUSLSA-N 0 3 404.488 3.866 20 5 HHBDHN Cc1nc(NC(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000475311720 996061949 /nfs/dbraw/zinc/06/19/49/996061949.db2.gz VVHOTDRZWISYHF-GOSISDBHSA-N 0 3 408.380 3.691 20 5 HHBDHN CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)C[C@H]1N1CCCC1 ZINC000483407219 996158229 /nfs/dbraw/zinc/15/82/29/996158229.db2.gz RQQZYPSYGWJAOC-AEFFLSMTSA-N 0 3 409.577 3.747 20 5 HHBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000475559902 996219043 /nfs/dbraw/zinc/21/90/43/996219043.db2.gz LOMAEIALUYJUEU-HDICACEKSA-N 0 3 418.538 3.955 20 5 HHBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000475559904 996219168 /nfs/dbraw/zinc/21/91/68/996219168.db2.gz LOMAEIALUYJUEU-QZTJIDSGSA-N 0 3 418.538 3.955 20 5 HHBDHN CO[C@@H]1CCCC[C@@H]1N[C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000483709184 996341652 /nfs/dbraw/zinc/34/16/52/996341652.db2.gz IQSFECOUAJYKPP-ISTRZQFTSA-N 0 3 404.492 3.593 20 5 HHBDHN CO[C@@H]1CCCC[C@@H]1N[C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000483709189 996341747 /nfs/dbraw/zinc/34/17/47/996341747.db2.gz IQSFECOUAJYKPP-YLQAJVPDSA-N 0 3 404.492 3.593 20 5 HHBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000484345253 996717232 /nfs/dbraw/zinc/71/72/32/996717232.db2.gz WJTBFPIGMLZUPB-HNNXBMFYSA-N 0 3 403.401 3.842 20 5 HHBDHN Cc1cccc(O[C@@H]2CCCC[C@H]2NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000484651481 996987776 /nfs/dbraw/zinc/98/77/76/996987776.db2.gz MEFKZFHWMKSLDK-NHCUHLMSSA-N 0 3 418.515 3.657 20 5 HHBDHN CCc1ccc([C@H](CNC(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])N(C)C)cc1 ZINC000484946526 997324226 /nfs/dbraw/zinc/32/42/26/997324226.db2.gz QJIIPGWPGIUIGK-SFHVURJKSA-N 0 3 417.531 3.920 20 5 HHBDHN O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000485080652 997451244 /nfs/dbraw/zinc/45/12/44/997451244.db2.gz UDDCBOADTRSEHB-KRWDZBQOSA-N 0 3 405.401 3.763 20 5 HHBDHN O=C(CCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)Nc1cccc(C(F)(F)F)c1 ZINC000485666042 998120029 /nfs/dbraw/zinc/12/00/29/998120029.db2.gz DOOYRRYNSNQJQM-OAHLLOKOSA-N 0 3 423.395 3.524 20 5 HHBDHN COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000486423655 998760239 /nfs/dbraw/zinc/76/02/39/998760239.db2.gz SHBGTGJZZWGVBC-LJQANCHMSA-N 0 3 417.531 3.674 20 5 HHBDHN CSc1cccc(C(=O)Nc2cccc(CN3CCC(O)CC3)c2)c1[N+](=O)[O-] ZINC000486796020 998943682 /nfs/dbraw/zinc/94/36/82/998943682.db2.gz ADYWWXRRLVXHCQ-UHFFFAOYSA-N 0 3 401.488 3.526 20 5 HHBDHN O=C(Nc1ccccc1)c1ccc(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000488800706 999612166 /nfs/dbraw/zinc/61/21/66/999612166.db2.gz OLBVNBWPDMBBCK-UHFFFAOYSA-N 0 3 405.458 3.881 20 5 HHBDHN CC(C)(C)[C@H](COc1ccccc1F)N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000489140522 999710411 /nfs/dbraw/zinc/71/04/11/999710411.db2.gz PXJWJZZTIYABAQ-ICSRJNTNSA-N 0 3 415.465 3.923 20 5 HHBDHN O=C(N[C@H]1CCCN(Cc2ccccc2)C1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000489733843 999827525 /nfs/dbraw/zinc/82/75/25/999827525.db2.gz AEGXWPHFQHAWJD-FQEVSTJZSA-N 0 3 408.502 3.933 20 5 HHBDHN COc1cc(CNCCc2c(F)cccc2F)c([N+](=O)[O-])cc1OCC(F)F ZINC000491012630 1000033916 /nfs/dbraw/zinc/03/39/16/1000033916.db2.gz XYLOANXUTRUWMS-UHFFFAOYSA-N 0 3 402.344 3.858 20 5 HHBDHN O=C1NC2(CCCC2)C(=O)N1CCCN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000491344271 1000066764 /nfs/dbraw/zinc/06/67/64/1000066764.db2.gz YIZBCUGQJQCELZ-FQEVSTJZSA-N 0 3 422.485 3.529 20 5 HHBDHN CCOc1ccc([C@@H](C)N[C@H]2CCN(C(=O)CCc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000504912282 1000443660 /nfs/dbraw/zinc/44/36/60/1000443660.db2.gz TWQPJSBPZMWQEE-XLIONFOSSA-N 0 3 411.502 3.878 20 5 HHBDHN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000505575235 1000915656 /nfs/dbraw/zinc/91/56/56/1000915656.db2.gz QIEFXRAHHNXSLQ-QRWLVFNGSA-N 0 3 417.531 3.755 20 5 HHBDHN C[C@@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])[C@H](c1ccccc1)N(C)C ZINC000505637098 1000947857 /nfs/dbraw/zinc/94/78/57/1000947857.db2.gz QUCWQAKKCGSVCG-BIENJYKASA-N 0 3 405.882 3.823 20 5 HHBDHN COc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)cc1SC ZINC000505639450 1000949356 /nfs/dbraw/zinc/94/93/56/1000949356.db2.gz YUHUDMMHDZBMRS-BFUOFWGJSA-N 0 3 403.504 3.747 20 5 HHBDHN C[C@H](CN1CCCCC1)NC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000506896713 1001585409 /nfs/dbraw/zinc/58/54/09/1001585409.db2.gz UZGLCUGIPQBSAA-SJORKVTESA-N 0 3 411.506 3.767 20 5 HHBDHN CCN1CCN(c2ccc(NC(=O)c3c(Cl)cccc3[N+](=O)[O-])c(C)c2)CC1 ZINC000498069078 1001629229 /nfs/dbraw/zinc/62/92/29/1001629229.db2.gz BPDGLZLTSCXYIB-UHFFFAOYSA-N 0 3 402.882 3.951 20 5 HHBDHN CS(=O)(=O)NCC[C@H]1CCCCN1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000507315167 1001994265 /nfs/dbraw/zinc/99/42/65/1001994265.db2.gz CGACZQRKALLDSQ-OAHLLOKOSA-N 0 3 423.560 3.617 20 5 HHBDHN C[C@@H]1CCCN(c2ccc(C(=O)NCCN(C)Cc3ccccc3)cc2[N+](=O)[O-])C1 ZINC000507462067 1002085566 /nfs/dbraw/zinc/08/55/66/1002085566.db2.gz CDKKFTQZFNWKKH-GOSISDBHSA-N 0 3 410.518 3.693 20 5 HHBDHN COC(=O)[C@H]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000508596869 1003055906 /nfs/dbraw/zinc/05/59/06/1003055906.db2.gz VPMOHHZUCNXKDL-NSHDSACASA-N 0 3 409.236 3.612 20 5 HHBDHN COc1cc(C[NH2+]CC2(c3ccc4c(c3)OCCO4)CCCC2)c([N+](=O)[O-])cc1[O-] ZINC000509610942 1003977685 /nfs/dbraw/zinc/97/76/85/1003977685.db2.gz YCTQTXGYYDQXJY-UHFFFAOYSA-N 0 3 414.458 3.682 20 5 HHBDHN Cc1c(Br)cc(C(=O)N(CC(C)C)C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000509708385 1004042243 /nfs/dbraw/zinc/04/22/43/1004042243.db2.gz OUSWHJKGVNYKGA-UHFFFAOYSA-N 0 3 412.328 3.858 20 5 HHBDHN CCOc1ccc(NC(=O)CN[C@H](c2ccc(OC)cc2)C(C)C)c([N+](=O)[O-])c1 ZINC000510750286 1004831897 /nfs/dbraw/zinc/83/18/97/1004831897.db2.gz TUZGGULSYLQKMP-NRFANRHFSA-N 0 3 401.463 3.928 20 5 HHBDHN COc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)cc1SC ZINC000513259186 1004883211 /nfs/dbraw/zinc/88/32/11/1004883211.db2.gz AOEQIBXMOSQQTJ-INIZCTEOSA-N 0 3 415.515 3.720 20 5 HHBDHN CCOc1ccc([C@H](C)N[C@@H]2CCCN(C(=O)Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000511042078 1004994010 /nfs/dbraw/zinc/99/40/10/1004994010.db2.gz ATUGVEWHYRQYNY-FXAWDEMLSA-N 0 3 411.502 3.878 20 5 HHBDHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000514188685 1005304208 /nfs/dbraw/zinc/30/42/08/1005304208.db2.gz GUYARRUIZOTMRE-UHFFFAOYSA-N 0 3 411.380 3.539 20 5 HHBDHN CCN(CC)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cn1)c1ccc(C(F)(F)F)cc1 ZINC000531888821 1006500092 /nfs/dbraw/zinc/50/00/92/1006500092.db2.gz ZAVQQJVFRDPBDR-KRWDZBQOSA-N 0 3 410.396 3.822 20 5 HHBDHN C[C@@H](CC[S@](C)=O)NCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000532120901 1006652991 /nfs/dbraw/zinc/65/29/91/1006652991.db2.gz WZLHNCNZDULBFH-BUBHHJDNSA-N 0 3 415.309 3.864 20 5 HHBDHN CC(C)n1c2ccccc2nc1[C@@H]1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000534912967 1006946833 /nfs/dbraw/zinc/94/68/33/1006946833.db2.gz LOVLIHPGVCJDHY-QGZVFWFLSA-N 0 3 409.490 3.567 20 5 HHBDHN O=[N+]([O-])c1cc(CN2CC[C@H](CN3CCOCC3)C2)ccc1Oc1ccc(F)cc1 ZINC000538734594 1007016805 /nfs/dbraw/zinc/01/68/05/1007016805.db2.gz OUOPVIYWOIVUIQ-GOSISDBHSA-N 0 3 415.465 3.680 20 5 HHBDHN Cn1cc(CN2CCC(OC[C@@H]3CCCCO3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000538761360 1007046303 /nfs/dbraw/zinc/04/63/03/1007046303.db2.gz YQFNMQCJSBBJJW-NRFANRHFSA-N 0 3 414.506 3.545 20 5 HHBDHN Cc1cccc(CN2CCN(CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)CC2)c1 ZINC000532756421 1007164374 /nfs/dbraw/zinc/16/43/74/1007164374.db2.gz WBBKSACAOZYJCO-UHFFFAOYSA-N 0 3 406.486 3.919 20 5 HHBDHN Cc1c([C@H](C)NC[C@H](O)COc2ccccc2Br)cccc1[N+](=O)[O-] ZINC000539056564 1007352406 /nfs/dbraw/zinc/35/24/06/1007352406.db2.gz PTPVJJOCWFVLGK-KBPBESRZSA-N 0 3 409.280 3.756 20 5 HHBDHN O=C(NC1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1)c1ccccc1 ZINC000533228756 1007550254 /nfs/dbraw/zinc/55/02/54/1007550254.db2.gz FYLXYOUWGGBVGK-UHFFFAOYSA-N 0 3 420.469 3.687 20 5 HHBDHN CN(C)CCN(Cc1ccc(F)cc1F)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC000535670141 1007688555 /nfs/dbraw/zinc/68/85/55/1007688555.db2.gz BDDGZUVKNQFJMJ-UHFFFAOYSA-N 0 3 402.401 3.558 20 5 HHBDHN CN(C)CCN(Cc1ccccc1F)C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000539413162 1007720611 /nfs/dbraw/zinc/72/06/11/1007720611.db2.gz GSURFDIBUPUONV-UHFFFAOYSA-N 0 3 422.460 4.000 20 5 HHBDHN C[C@@H]1CN(C(=O)c2ccc(CNC/C=C\c3ccccc3[N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000539475480 1007786703 /nfs/dbraw/zinc/78/67/03/1007786703.db2.gz RKLNYFYDUDLZHA-DIWYCERUSA-N 0 3 409.486 3.647 20 5 HHBDHN CN(C)CCN(Cc1cccc(Cl)c1)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000536093647 1008115327 /nfs/dbraw/zinc/11/53/27/1008115327.db2.gz AAASIDIZFGSMMZ-UHFFFAOYSA-N 0 3 414.893 3.862 20 5 HHBDHN O=C1NCCCN1C1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000539836111 1008128414 /nfs/dbraw/zinc/12/84/14/1008128414.db2.gz SGGJSMGHSXSHOI-UHFFFAOYSA-N 0 3 400.504 3.703 20 5 HHBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3cccc(OCc4ccccn4)c3)C2)nc1 ZINC000539835750 1008128605 /nfs/dbraw/zinc/12/86/05/1008128605.db2.gz RTFUIBBSJOZGIW-GOSISDBHSA-N 0 3 405.458 3.650 20 5 HHBDHN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1ccc(CCN2CCSCC2)cc1 ZINC000533907283 1008197485 /nfs/dbraw/zinc/19/74/85/1008197485.db2.gz WFHPSMNNYVJKEW-UHFFFAOYSA-N 0 3 424.526 3.849 20 5 HHBDHN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000540450827 1008438155 /nfs/dbraw/zinc/43/81/55/1008438155.db2.gz ZVNONZJPOHYZGO-SFHVURJKSA-N 0 3 401.532 3.998 20 5 HHBDHN CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000518845807 1008442976 /nfs/dbraw/zinc/44/29/76/1008442976.db2.gz VXNYUAWHVYITFZ-QGZVFWFLSA-N 0 3 402.882 3.770 20 5 HHBDHN COc1ccc2[nH]cc(C3=CCN(C[C@H](O)COc4cccc([N+](=O)[O-])c4)CC3)c2c1 ZINC000549761128 1009377389 /nfs/dbraw/zinc/37/73/89/1009377389.db2.gz FQEDVMWMCFACES-SFHVURJKSA-N 0 3 423.469 3.614 20 5 HHBDHN O=C1[C@H](NCc2ccc(-c3ccccc3[N+](=O)[O-])s2)CCCN1Cc1ccccn1 ZINC000544182841 1009786831 /nfs/dbraw/zinc/78/68/31/1009786831.db2.gz CFMKZSYCZFYTRR-LJQANCHMSA-N 0 3 422.510 3.999 20 5 HHBDHN O=C(CCc1ccccc1)N1CCC(NCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000544353327 1009979368 /nfs/dbraw/zinc/97/93/68/1009979368.db2.gz GHMXLHGYWDHHID-UHFFFAOYSA-N 0 3 401.894 3.962 20 5 HHBDHN CC(C)c1ccc([C@@H](NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c2cccs2)cc1 ZINC000520953826 1010003684 /nfs/dbraw/zinc/00/36/84/1010003684.db2.gz OPHZDDNGEBOPSV-UYAOXDASSA-N 0 3 400.504 3.716 20 5 HHBDHN CCN1CCN(Cc2ccc(NC(=O)[C@@H](C)c3ccc([N+](=O)[O-])cc3F)cc2)CC1 ZINC000544608988 1010235927 /nfs/dbraw/zinc/23/59/27/1010235927.db2.gz ILYGIVMCPYBJBN-INIZCTEOSA-N 0 3 414.481 3.614 20 5 HHBDHN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000521249839 1010255432 /nfs/dbraw/zinc/25/54/32/1010255432.db2.gz DUZUFMZKBQUJFK-RLFYNMQTSA-N 0 3 417.893 3.967 20 5 HHBDHN CN(c1ccccc1)c1ccc(CN[C@@H](CO)C[C@@H](O)C(C)(C)C)cc1[N+](=O)[O-] ZINC000551230345 1010452665 /nfs/dbraw/zinc/45/26/65/1010452665.db2.gz XTUDACBEOWYXOQ-DYESRHJHSA-N 0 3 401.507 3.610 20 5 HHBDHN CCN1CCN(c2ccc(NC(=O)c3cc(Cl)cc([N+](=O)[O-])c3)c(C)c2)CC1 ZINC000522882395 1011327136 /nfs/dbraw/zinc/32/71/36/1011327136.db2.gz ZWWXPMJKZDVUOD-UHFFFAOYSA-N 0 3 402.882 3.951 20 5 HHBDHN COc1ccc(OCCN2CCC[C@H](c3nc(-c4ccccc4)n[nH]3)C2)c([N+](=O)[O-])c1 ZINC000540867246 1011546748 /nfs/dbraw/zinc/54/67/48/1011546748.db2.gz ZZNDQWSYLWCUSY-KRWDZBQOSA-N 0 3 423.473 3.647 20 5 HHBDHN C[C@H](N[C@@H]1CCN(c2cnn(C)c2)C1=O)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000536859976 1012094683 /nfs/dbraw/zinc/09/46/83/1012094683.db2.gz XTCQATCNOLPBCC-XJKSGUPXSA-N 0 3 411.487 3.513 20 5 HHBDHN O=C([C@H]1CN(Cc2ccccc2)CCC1(F)F)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000552122812 1012140469 /nfs/dbraw/zinc/14/04/69/1012140469.db2.gz OPQPDJGZDUSEHI-LJQANCHMSA-N 0 3 415.440 3.637 20 5 HHBDHN Cc1ccc([C@H](C)NCCC(=O)Nc2ccc(N3CCCC3=O)cc2)cc1[N+](=O)[O-] ZINC000537175539 1012582179 /nfs/dbraw/zinc/58/21/79/1012582179.db2.gz ORJFYHLVKRXIKK-INIZCTEOSA-N 0 3 410.474 3.709 20 5 HHBDHN O=C(Nc1ccc([N+](=O)[O-])cc1F)NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC000541783347 1012652970 /nfs/dbraw/zinc/65/29/70/1012652970.db2.gz FGVHBYMQMZOVNT-UHFFFAOYSA-N 0 3 420.416 3.538 20 5 HHBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000541952636 1012814397 /nfs/dbraw/zinc/81/43/97/1012814397.db2.gz TUVQZOXDRFDJJD-KRWDZBQOSA-N 0 3 411.380 3.574 20 5 HHBDHN CN(CCCN(C)C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])Cc1ccncc1 ZINC000588880577 1073326563 /nfs/dbraw/zinc/32/65/63/1073326563.db2.gz AAKYWZLICZMFJD-UHFFFAOYSA-N 0 3 422.938 3.716 20 5 HHBDHN CC[C@@H]1CN(C)CCCN1C(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000590345057 1073750071 /nfs/dbraw/zinc/75/00/71/1073750071.db2.gz KLHLLWYIWZDTLD-SJLPKXTDSA-N 0 3 411.506 3.719 20 5 HHBDHN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCCN2c3ccccc3C[C@@H]2C1 ZINC000574202677 1075174394 /nfs/dbraw/zinc/17/43/94/1075174394.db2.gz KKEUPUJZISKVKM-HNAYVOBHSA-N 0 3 405.458 3.843 20 5 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