smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(C=C2C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)cc([N+](=O)[O-])c1O ZINC000016195086 521959623 /nfs/dbraw/zinc/95/96/23/521959623.db2.gz YURSPMNZEXPYQI-XGICHPGQSA-N 0 2 462.212 3.578 40 10 JHCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4ccccc4F)cc3)C2=O)cc1 ZINC000016194195 522078865 /nfs/dbraw/zinc/07/88/65/522078865.db2.gz FBYNULQGFAMIGC-STZFKDTASA-N 0 2 474.444 3.858 40 10 JHCBLN O=C(Oc1c(/C=C2\C(=O)NN(c3ccccc3)C2=O)cccc1[N+](=O)[O-])c1ccccc1Cl ZINC000033726493 569632287 /nfs/dbraw/zinc/63/22/87/569632287.db2.gz SGJNXTFQWXLMSI-LGMDPLHJSA-N 0 2 463.833 3.929 40 10 JHCBLN CCOC(=O)COc1c(Br)cc(Cl)cc1/C=C1/C(=O)NN(c2ccccc2)C1=O ZINC000033780042 569634567 /nfs/dbraw/zinc/63/45/67/569634567.db2.gz TVMLHWWCPGRVMD-DHDCSXOGSA-N 0 2 479.714 3.506 40 10 JHCBLN O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])c1 ZINC000107839320 569857630 /nfs/dbraw/zinc/85/76/30/569857630.db2.gz LCQJDYJXULZGNY-UNOMPAQXSA-N 0 2 460.402 3.543 40 10 JHCBLN COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1Oc1ccc([N+](=O)[O-])cn1 ZINC000108138395 569858765 /nfs/dbraw/zinc/85/87/65/569858765.db2.gz MUDNTJXRKBEYSA-SXGWCWSVSA-N 0 2 466.837 3.906 40 10 JHCBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)c(O)c(Br)c3)C2=O)cc1 ZINC000408740135 570031814 /nfs/dbraw/zinc/03/18/14/570031814.db2.gz IRHXWWHSDAKINI-WUXMJOGZSA-N 0 2 496.111 3.592 40 10 JHCBLN CCN(CC)c1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)c(O)c1 ZINC000408744226 570033112 /nfs/dbraw/zinc/03/31/12/570033112.db2.gz ZDDLBWJCIPQSRL-LICLKQGHSA-N 0 2 458.312 3.667 40 10 JHCBLN COC(=O)Cn1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3Cl)C2=O)c2ccccc21 ZINC000408771602 570039045 /nfs/dbraw/zinc/03/90/45/570039045.db2.gz ICRKBZKJKASGOL-OVCLIPMQSA-N 0 2 472.284 3.788 40 10 JHCBLN COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)c(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000408808662 570048454 /nfs/dbraw/zinc/04/84/54/570048454.db2.gz QQMANPVPZHTWCI-FYJGNVAPSA-N 0 2 473.441 3.849 40 10 JHCBLN O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1ccc(OCc2ccc(F)cc2)cc1 ZINC000408811797 570049282 /nfs/dbraw/zinc/04/92/82/570049282.db2.gz KTXXLRUWQNBFOW-CIAFOILYSA-N 0 2 461.405 3.979 40 10 JHCBLN COc1cc(N2C(=O)NC(=O)C(=Cc3cc(Cl)c(OC)c(OC)c3)C2=O)c(OC)cc1Cl ZINC000408827037 570052448 /nfs/dbraw/zinc/05/24/48/570052448.db2.gz ULOJABOHJFMCSR-VZUCSPMQSA-N 0 2 481.288 3.694 40 10 JHCBLN CCOc1ccc(OCC)c(N2C(=O)NC(=O)C(=Cc3ccc(OC)c(Br)c3)C2=O)c1 ZINC000408849644 570055284 /nfs/dbraw/zinc/05/52/84/570055284.db2.gz XXSSWZNFFWQGEE-XNTDXEJSSA-N 0 2 489.322 3.922 40 10 JHCBLN O=C(COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc1)Nc1ccccc1 ZINC000408911658 570073149 /nfs/dbraw/zinc/07/31/49/570073149.db2.gz BGQVXLIGQMSOLM-FYJGNVAPSA-N 0 2 459.433 3.510 40 10 JHCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)ccc1OCc1cccc(F)c1 ZINC000408953313 570084476 /nfs/dbraw/zinc/08/44/76/570084476.db2.gz PRARHUKZGRDYEE-VXLYETTFSA-N 0 2 490.443 3.808 40 10 JHCBLN CCOC(=O)COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1OCC ZINC000408983001 570091313 /nfs/dbraw/zinc/09/13/13/570091313.db2.gz JNBPLJFOGQQGGR-YVLHZVERSA-N 0 2 486.908 3.655 40 10 JHCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(Sc4nnnn4-c4ccccc4)o3)C2=O)cc1C ZINC000408992445 570094456 /nfs/dbraw/zinc/09/44/56/570094456.db2.gz SADOYCDFZZYLBD-CPNJWEJPSA-N 0 2 486.513 3.690 40 10 JHCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3cccc(OS(=O)(=O)c4ccccc4)c3)C2=O)cc1C ZINC000409074297 570119431 /nfs/dbraw/zinc/11/94/31/570119431.db2.gz PSQVDIAKJOQHPB-JCMHNJIXSA-N 0 2 476.510 3.738 40 10 JHCBLN O=C(COc1cccc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)c1)Nc1ccc(Cl)cc1 ZINC000409219368 570173882 /nfs/dbraw/zinc/17/38/82/570173882.db2.gz LYFAICTVBSYLBQ-BKUYFWCQSA-N 0 2 491.887 3.730 40 10 JHCBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC(=O)Nc4cc(C)ccc4C)cc3)C2=O)cc1 ZINC000409249936 570185510 /nfs/dbraw/zinc/18/55/10/570185510.db2.gz JZMBHUAOBZPBKX-HZHRSRAPSA-N 0 2 499.523 3.996 40 10 JHCBLN COc1cccc(N2C(=O)NC(=O)C(=Cc3ccccc3OC(=O)C=Cc3ccccc3)C2=O)c1 ZINC000408528468 570186873 /nfs/dbraw/zinc/18/68/73/570186873.db2.gz BIZYKRXPTWZSPW-CWTLDBBMSA-N 0 2 468.465 3.980 40 10 JHCBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC(=O)Nc4ccc(C)c(C)c4)cc3)C2=O)cc1 ZINC000409260634 570187468 /nfs/dbraw/zinc/18/74/68/570187468.db2.gz TUGSOUASRQRUMF-BUVRLJJBSA-N 0 2 499.523 3.996 40 10 JHCBLN Cc1cc(NC(=O)N/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)ccc1Br ZINC000408532941 570188760 /nfs/dbraw/zinc/18/87/60/570188760.db2.gz NEVWULITEFGRHF-FMIVXFBMSA-N 0 2 477.702 3.699 40 10 JHCBLN COc1ccc(C(=O)Oc2ccccc2/C=C2/C(=O)NC(=O)N(c3ccccc3OC)C2=O)cc1 ZINC000408533290 570188922 /nfs/dbraw/zinc/18/89/22/570188922.db2.gz JUMJCRWYSXCXAT-CYVLTUHYSA-N 0 2 472.453 3.589 40 10 JHCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3OC)C2=O)ccc1OC(=O)/C=C/c1ccccc1 ZINC000408534431 570189486 /nfs/dbraw/zinc/18/94/86/570189486.db2.gz LYRZEPRGWWNSAB-NBOILNHKSA-N 0 2 498.491 3.989 40 10 JHCBLN Cc1ccccc1N1C(=O)NC(=O)C(=CNc2c(C)cc(Br)c(C)c2[N+](=O)[O-])C1=O ZINC000408535604 570190061 /nfs/dbraw/zinc/19/00/61/570190061.db2.gz TZXLGVVGDNKMDN-UKTHLTGXSA-N 0 2 473.283 3.861 40 10 JHCBLN CCOc1cc(/C=C2/C(=O)NC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OC(C)=O ZINC000408537541 570190785 /nfs/dbraw/zinc/19/07/85/570190785.db2.gz WDCTVIWIHWXUCN-SXGWCWSVSA-N 0 2 462.380 3.696 40 10 JHCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1OC(=O)c1ccccc1 ZINC000408538042 570190947 /nfs/dbraw/zinc/19/09/47/570190947.db2.gz YPIIYZJYAUHGSX-XSFVSMFZSA-N 0 2 456.454 3.889 40 10 JHCBLN O=C1NN(c2ccc(Br)cc2)C(=O)/C1=C/c1ccccc1I ZINC000003040832 194215498 /nfs/dbraw/zinc/21/54/98/194215498.db2.gz GFINMJBPLJDTGO-UKTHLTGXSA-N 0 2 469.076 3.515 40 10 JHCBLN CCCC(=O)[C@@H](C(=O)OCC)c1cc(NS(=O)(=O)c2cccc3cccnc32)ccc1O ZINC000008835914 554735420 /nfs/dbraw/zinc/73/54/20/554735420.db2.gz HRZZCBQJRXWXAZ-NRFANRHFSA-N 0 2 456.520 3.757 40 10 JHCBLN CCCC(O)=C(C(=O)OCC)c1cc(NS(=O)(=O)c2cccc3cccnc32)ccc1O ZINC000008835914 554735422 /nfs/dbraw/zinc/73/54/22/554735422.db2.gz HRZZCBQJRXWXAZ-NRFANRHFSA-N 0 2 456.520 3.757 40 10 JHCBLN COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc([N+](=O)[O-])c1OCc1ccc([N+](=O)[O-])cc1 ZINC000033706555 569631152 /nfs/dbraw/zinc/63/11/52/569631152.db2.gz VTMWTXNBVINWJU-ODLFYWEKSA-N 0 2 490.428 3.552 40 10 JHCBLN O=C1NN(c2ccccc2)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1OCc1cccc([N+](=O)[O-])c1 ZINC000033720785 569631880 /nfs/dbraw/zinc/63/18/80/569631880.db2.gz VSFFMEYCUABJNR-UYRXBGFRSA-N 0 2 460.402 3.543 40 10 JHCBLN O=C1NN(c2ccccc2)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1OCc1ccc([N+](=O)[O-])cc1 ZINC000033720787 569631975 /nfs/dbraw/zinc/63/19/75/569631975.db2.gz OQSGCCUQCBUVOM-UYRXBGFRSA-N 0 2 460.402 3.543 40 10 JHCBLN CCOC(=O)[C@H](C)Oc1c(Br)cc(Cl)cc1/C=C1/C(=O)NN(c2ccccc2)C1=O ZINC000035352223 569681817 /nfs/dbraw/zinc/68/18/17/569681817.db2.gz RAKUDVIKKXKPBG-KPENOIPVSA-N 0 2 493.741 3.894 40 10 JHCBLN CCOc1ccc(NC(=O)[C@@H](N=Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)C(C)=O)cc1 ZINC000104124044 569841323 /nfs/dbraw/zinc/84/13/23/569841323.db2.gz MWLJVYLTEHAIQB-RIACQAHJSA-N 0 2 481.534 3.961 40 10 JHCBLN CC(=O)[C@@H](N=Nc1ccc(S(=O)(=O)Nc2nncs2)cc1)C(=O)Nc1cc(C)cc(C)c1 ZINC000104123948 569841366 /nfs/dbraw/zinc/84/13/66/569841366.db2.gz VHIANUFVZUUAJJ-ANEHGGCBSA-N 0 2 472.552 3.636 40 10 JHCBLN O=C(COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c1)Nc1ccc(F)cc1 ZINC000108983795 569860117 /nfs/dbraw/zinc/86/01/17/569860117.db2.gz NPHJJVNEPFHSHI-FYJGNVAPSA-N 0 2 477.423 3.649 40 10 JHCBLN COc1cc(C=C2C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)cc([N+](=O)[O-])c1O ZINC000207066085 569874793 /nfs/dbraw/zinc/87/47/93/569874793.db2.gz YURSPMNZEXPYQI-LFYBBSHMSA-N 0 2 462.212 3.578 40 10 JHCBLN COC(=O)COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1Cl ZINC000408780596 570041423 /nfs/dbraw/zinc/04/14/23/570041423.db2.gz FVQCZJXFVVMXPQ-VGOFMYFVSA-N 0 2 463.273 3.520 40 10 JHCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)c(OC(C)C)c(OC)c3)C2=O)cc1 ZINC000408800346 570045329 /nfs/dbraw/zinc/04/53/29/570045329.db2.gz OEJKSHGPKDNDGJ-CXUHLZMHSA-N 0 2 472.881 3.589 40 10 JHCBLN CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1OC ZINC000408803806 570046782 /nfs/dbraw/zinc/04/67/82/570046782.db2.gz AQTKJQMREARPSM-LFIBNONCSA-N 0 2 459.296 3.913 40 10 JHCBLN CCCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc1OC ZINC000408805565 570047394 /nfs/dbraw/zinc/04/73/94/570047394.db2.gz GSYRLAWBMYHHMG-MHWRWJLKSA-N 0 2 472.881 3.590 40 10 JHCBLN COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)c(OCc2ccc(F)cc2)c1 ZINC000408807229 570048042 /nfs/dbraw/zinc/04/80/42/570048042.db2.gz KSJWOQUPRRWCPM-SRZZPIQSSA-N 0 2 491.431 3.988 40 10 JHCBLN O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000408810573 570049008 /nfs/dbraw/zinc/04/90/08/570049008.db2.gz PKZFLNZZZMWFHS-FYJGNVAPSA-N 0 2 459.414 3.546 40 10 JHCBLN CCOC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)c(OC)c(OCC)c3)C2=O)cc1 ZINC000408818463 570051269 /nfs/dbraw/zinc/05/12/69/570051269.db2.gz WXOXVFLAXLRIBC-MHWRWJLKSA-N 0 2 472.881 3.590 40 10 JHCBLN CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1Br ZINC000408819517 570051477 /nfs/dbraw/zinc/05/14/77/570051477.db2.gz ZDWSXHVQNLLYBA-OQLLNIDSSA-N 0 2 474.267 3.813 40 10 JHCBLN COc1ccc(Cl)cc1C=C1C(=O)NC(=O)N(c2cc(OC)c(Cl)cc2OC)C1=O ZINC000408824510 570052364 /nfs/dbraw/zinc/05/23/64/570052364.db2.gz HYRHVPRMURBVEM-KPKJPENVSA-N 0 2 451.262 3.686 40 10 JHCBLN CCc1ccccc1N1C(=O)NC(=O)C(=Cc2cc(I)cc(OC)c2)C1=O ZINC000408867108 570058303 /nfs/dbraw/zinc/05/83/03/570058303.db2.gz JJGNJMKGLOKLTG-YBEGLDIGSA-N 0 2 476.270 3.529 40 10 JHCBLN COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)c(OCc2cccc([N+](=O)[O-])c2)c1 ZINC000408871896 570059936 /nfs/dbraw/zinc/05/99/36/570059936.db2.gz ZDDDVHSCNDDELY-UNOMPAQXSA-N 0 2 491.431 3.988 40 10 JHCBLN Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(C(N)=O)cc1 ZINC000408894333 570066726 /nfs/dbraw/zinc/06/67/26/570066726.db2.gz CCHPBCHPVXPRSX-UDWIEESQSA-N 0 2 462.893 3.513 40 10 JHCBLN CCCOc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)ccc3OC)C2=O)cc1 ZINC000408901154 570068529 /nfs/dbraw/zinc/06/85/29/570068529.db2.gz WKOCMKVBWKVJHH-ATVHPVEESA-N 0 2 459.296 3.913 40 10 JHCBLN O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C\c1cccc(OCc2ccccc2F)c1 ZINC000408937202 570081746 /nfs/dbraw/zinc/08/17/46/570081746.db2.gz NCLQHINGBSYGGF-NDENLUEZSA-N 0 2 461.405 3.979 40 10 JHCBLN Cc1nnc(Sc2ccc(C=C3C(=O)NC(=O)N(c4ccc(C)cc4)C3=O)cc2[N+](=O)[O-])s1 ZINC000408990299 570093782 /nfs/dbraw/zinc/09/37/82/570093782.db2.gz KJFXPHBYBCQRBU-OQLLNIDSSA-N 0 2 481.515 3.881 40 10 JHCBLN CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cccc(OS(=O)(=O)c4ccccc4)c3)C2=O)cc1 ZINC000409072692 570118950 /nfs/dbraw/zinc/11/89/50/570118950.db2.gz KMRCOSIHZVPSMX-JWGURIENSA-N 0 2 492.509 3.519 40 10 JHCBLN COc1cc(Br)c(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1OC ZINC000409215671 570172234 /nfs/dbraw/zinc/17/22/34/570172234.db2.gz DGNKLEXAPBYKFQ-AWNIVKPZSA-N 0 2 465.687 3.786 40 10 JHCBLN CCOc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc(-c3cc([N+](=O)[O-])ccc3OC)o2)C1=O ZINC000409230410 570177536 /nfs/dbraw/zinc/17/75/36/570177536.db2.gz DEPGCRHZOKDOKD-GHRIWEEISA-N 0 2 477.429 3.929 40 10 JHCBLN CC1=NN(c2ccc(Br)cc2C)C(=O)C1C=Nc1cc2[nH]c(=O)[nH]c2cc1[N+](=O)[O-] ZINC000408526437 570185972 /nfs/dbraw/zinc/18/59/72/570185972.db2.gz BYYFHXRCKUUMGG-WQLSENKSSA-N 0 2 471.271 3.966 40 10 JHCBLN CCCCOC(=O)c1ccc(NC=C2C(=O)NC(=O)N(c3ccc(OCC)cc3)C2=O)cc1 ZINC000408529148 570187151 /nfs/dbraw/zinc/18/71/51/570187151.db2.gz ILCNAJHHLLTDLV-HMMYKYKNSA-N 0 2 451.479 3.621 40 10 JHCBLN Cc1ccccc1N1C(=O)NC(=O)C(=Cc2ccccc2OC(=O)c2ccc3c(c2)OCO3)C1=O ZINC000408531006 570187761 /nfs/dbraw/zinc/18/77/61/570187761.db2.gz GFCGUNCAMLAHTO-PDGQHHTCSA-N 0 2 470.437 3.609 40 10 JHCBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3cccc(OCC(=O)Nc4ccccc4C)c3)C2=O)cc1 ZINC000409262488 570187811 /nfs/dbraw/zinc/18/78/11/570187811.db2.gz HKBFPUVFYDLVTN-PXLXIMEGSA-N 0 2 485.496 3.688 40 10 JHCBLN CCc1ccccc1NC(=O)N/C=C1\C(=O)NC(=O)N(c2ccc(Br)c(C)c2)C1=O ZINC000408531281 570187910 /nfs/dbraw/zinc/18/79/10/570187910.db2.gz NPYIXPXBAQFBOT-RVDMUPIBSA-N 0 2 471.311 3.608 40 10 JHCBLN Cc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)NC(=O)N(c4ccccc4)C3=O)cc2)c(C)c1 ZINC000409264278 570188051 /nfs/dbraw/zinc/18/80/51/570188051.db2.gz QIBKYWKBEDJPDU-JCMHNJIXSA-N 0 2 469.497 3.987 40 10 JHCBLN Cc1ccc(NC(=O)COc2cccc(/C=C3/C(=O)NC(=O)N(c4ccc(O)cc4)C3=O)c2)c(C)c1 ZINC000409265622 570188354 /nfs/dbraw/zinc/18/83/54/570188354.db2.gz NBUMKFSSMGWZSZ-HMAPJEAMSA-N 0 2 485.496 3.693 40 10 JHCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)ccc1OC(=O)c1ccccc1 ZINC000408534879 570189609 /nfs/dbraw/zinc/18/96/09/570189609.db2.gz MTZWLXFOFBCLNS-RCCKNPSSSA-N 0 2 486.480 3.980 40 10 JHCBLN COc1cccc(N2C(=O)NC(=O)C(=Cc3ccc(OC(=O)c4ccc(C)cc4)c(OC)c3)C2=O)c1 ZINC000408537522 570190734 /nfs/dbraw/zinc/19/07/34/570190734.db2.gz VXIGPKHYODJYRU-FYJGNVAPSA-N 0 2 486.480 3.898 40 10 JHCBLN CCc1cc(Br)cc([N+](=O)[O-])c1NC=C1C(=O)NC(=O)N(c2ccc(OC)cc2)C1=O ZINC000408537292 570190773 /nfs/dbraw/zinc/19/07/73/570190773.db2.gz ZVRFCTAWEJRGLT-GDNBJRDFSA-N 0 2 489.282 3.507 40 10 JHCBLN Cc1ccc(N2NC(=O)/C(=C\c3cc(Br)cc(Br)c3O)C2=O)cc1C ZINC000003101534 194225797 /nfs/dbraw/zinc/22/57/97/194225797.db2.gz XBUCHNNLTMKSGG-VGOFMYFVSA-N 0 2 466.129 3.995 40 10 JHCBLN CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)c(O)c(OCC)c3)C2=O)cc1 ZINC000059484152 569605091 /nfs/dbraw/zinc/60/50/91/569605091.db2.gz PILODMPHOUIWNK-DHDCSXOGSA-N 0 2 475.295 3.619 40 10 JHCBLN Cc1ccc(N2C(=O)NC(=O)C(=CNC(=O)Nc3cc(C)c(C)cc3Br)C2=O)c(C)c1 ZINC000100951221 569777749 /nfs/dbraw/zinc/77/77/49/569777749.db2.gz HINOQQXIGAHAQC-XNTDXEJSSA-N 0 2 485.338 3.971 40 10 JHCBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3cccc(OCC(=O)Nc4ccccc4F)c3)C2=O)cc1 ZINC000108930088 569859893 /nfs/dbraw/zinc/85/98/93/569859893.db2.gz DZVCKCPXAJMIFP-XSFVSMFZSA-N 0 2 489.459 3.518 40 10 JHCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Br)c1O ZINC000408776004 570040150 /nfs/dbraw/zinc/04/01/50/570040150.db2.gz MDSNMDBAZAIRAO-OVCLIPMQSA-N 0 2 459.296 3.837 40 10 JHCBLN O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1 ZINC000408796061 570044522 /nfs/dbraw/zinc/04/45/22/570044522.db2.gz DBEZJDXXZZLHSZ-CIAFOILYSA-N 0 2 488.412 3.748 40 10 JHCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(Cl)c1OC(C)C ZINC000408811383 570049128 /nfs/dbraw/zinc/04/91/28/570049128.db2.gz VJLDHDYZERQPKM-LICLKQGHSA-N 0 2 486.908 3.979 40 10 JHCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4ccc(F)cc4)cc3)C2=O)cc1 ZINC000408812553 570049519 /nfs/dbraw/zinc/04/95/19/570049519.db2.gz MBHYJQKNTYVMQS-HYARGMPZSA-N 0 2 474.444 3.858 40 10 JHCBLN CCOc1ccc(OCC)c(N2C(=O)NC(=O)C(=Cc3cc4c(cc3Cl)OCO4)C2=O)c1 ZINC000408853852 570056031 /nfs/dbraw/zinc/05/60/31/570056031.db2.gz YKQCDAOYGZYZAF-VGOFMYFVSA-N 0 2 458.854 3.533 40 10 JHCBLN CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)cc(Br)c1OC ZINC000408871294 570059774 /nfs/dbraw/zinc/05/97/74/570059774.db2.gz ZBNUMHDHMVNGIP-WQLSENKSSA-N 0 2 463.259 3.662 40 10 JHCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(Cc4ccccc4F)cc3)C2=O)cc1 ZINC000408877631 570061890 /nfs/dbraw/zinc/06/18/90/570061890.db2.gz WKPPBLMZXJOPRZ-RCCKNPSSSA-N 0 2 458.445 3.870 40 10 JHCBLN O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C\c1ccccc1OCc1cccc([N+](=O)[O-])c1 ZINC000408878800 570062222 /nfs/dbraw/zinc/06/22/22/570062222.db2.gz BVGVKCSFDFRRMD-AQTBWJFISA-N 0 2 461.405 3.979 40 10 JHCBLN Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3ccc(OCC(=O)Nc4ccccc4)cc3)C2=O)c1 ZINC000408900487 570068209 /nfs/dbraw/zinc/06/82/09/570068209.db2.gz SZCPNQNFBUHMJC-HZHRSRAPSA-N 0 2 469.497 3.987 40 10 JHCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccccc1 ZINC000408943427 570083204 /nfs/dbraw/zinc/08/32/04/570083204.db2.gz SEIZCCINILUIAG-DEDYPNTBSA-N 0 2 473.441 3.849 40 10 JHCBLN CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cccn3-c3ccc(OC)cc3)C2=O)c(OCC)c1 ZINC000408953381 570084461 /nfs/dbraw/zinc/08/44/61/570084461.db2.gz PDPGHWNONKSYKF-RCCKNPSSSA-N 0 2 475.501 3.950 40 10 JHCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409003173 570096869 /nfs/dbraw/zinc/09/68/69/570096869.db2.gz FDGOOJJOTIUIQT-KGENOOAVSA-N 0 2 485.496 3.688 40 10 JHCBLN COc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccccc1C ZINC000409004243 570097349 /nfs/dbraw/zinc/09/73/49/570097349.db2.gz OUQISODIAWJPGS-ZHZULCJRSA-N 0 2 485.496 3.688 40 10 JHCBLN Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)cc2)cc1 ZINC000409073546 570119249 /nfs/dbraw/zinc/11/92/49/570119249.db2.gz QCOBLXWZTOOPBE-KGENOOAVSA-N 0 2 480.473 3.568 40 10 JHCBLN CCc1ccc(N2C(=O)NC(=O)C(=Cc3cc(C)n(NC(=O)c4ccccc4)c3C)C2=O)cc1 ZINC000409212951 570170775 /nfs/dbraw/zinc/17/07/75/570170775.db2.gz SNINKBBLJRKVJB-PXLXIMEGSA-N 0 2 456.502 3.718 40 10 JHCBLN O=C1NC(=O)N(c2cccnc2)C(=O)/C1=C/c1cn(Cc2cccc([N+](=O)[O-])c2)c2ccccc12 ZINC000409235252 570179373 /nfs/dbraw/zinc/17/93/73/570179373.db2.gz ZFZCOQNAHMEHGV-CIAFOILYSA-N 0 2 467.441 3.659 40 10 JHCBLN COc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409268731 570188846 /nfs/dbraw/zinc/18/88/46/570188846.db2.gz YHZVXVLRSRCZMU-HMAPJEAMSA-N 0 2 499.523 3.996 40 10 JHCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3F)C2=O)ccc1OC(=O)c1ccco1 ZINC000408536658 570190438 /nfs/dbraw/zinc/19/04/38/570190438.db2.gz SJRLXAJXSCCMPF-NTCAYCPXSA-N 0 2 464.405 3.703 40 10 JHCBLN CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1O ZINC000016688234 520629971 /nfs/dbraw/zinc/62/99/71/520629971.db2.gz WRAAQTQIBPEHMR-QPEQYQDCSA-N 0 2 476.239 3.968 40 10 JHCBLN N#CCOc1c(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Br ZINC000034735697 569653955 /nfs/dbraw/zinc/65/39/55/569653955.db2.gz DQWIJFFKXXKTON-JYRVWZFOSA-N 0 2 477.112 3.575 40 10 JHCBLN COc1ccccc1NC(=O)[C@@H](N=Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)C(C)=O ZINC000104123675 569841237 /nfs/dbraw/zinc/84/12/37/569841237.db2.gz HNKATEPUHNCQEQ-XZSMOWGESA-N 0 2 473.536 3.633 40 10 JHCBLN COc1ccccc1NC(=O)C(=NNc1ccc(S(=O)(=O)Nc2nccs2)cc1)C(C)=O ZINC000104123675 569841238 /nfs/dbraw/zinc/84/12/38/569841238.db2.gz HNKATEPUHNCQEQ-XZSMOWGESA-N 0 2 473.536 3.633 40 10 JHCBLN COC(=O)COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1Cl ZINC000408773646 570039592 /nfs/dbraw/zinc/03/95/92/570039592.db2.gz SMDITPHRVQUHAL-AWNIVKPZSA-N 0 2 483.691 3.865 40 10 JHCBLN CCOC(=O)COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OC ZINC000408774159 570039656 /nfs/dbraw/zinc/03/96/56/570039656.db2.gz ALQJZMHIVCUUGJ-OVCLIPMQSA-N 0 2 493.299 3.610 40 10 JHCBLN COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)c(OC)c1 ZINC000408799947 570045151 /nfs/dbraw/zinc/04/51/51/570045151.db2.gz LWVXLJNBOQAGMC-HYARGMPZSA-N 0 2 458.470 3.949 40 10 JHCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc(Br)c1OC ZINC000408811988 570049353 /nfs/dbraw/zinc/04/93/53/570049353.db2.gz MIYXSBKXVPATCQ-OQLLNIDSSA-N 0 2 475.295 3.531 40 10 JHCBLN COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)c(Cc2cccc(F)c2)c1 ZINC000408871922 570059924 /nfs/dbraw/zinc/05/99/24/570059924.db2.gz ZOXPNAVJQARTCC-LPYMAVHISA-N 0 2 475.432 4.000 40 10 JHCBLN CCc1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3OS(=O)(=O)c3ccc(C)cc3)C2=O)cc1 ZINC000408890628 570065615 /nfs/dbraw/zinc/06/56/15/570065615.db2.gz WSWVFMDQQQPZPA-CJLVFECKSA-N 0 2 490.537 3.992 40 10 JHCBLN CC[C@H](C)Oc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1OC ZINC000408952653 570084360 /nfs/dbraw/zinc/08/43/60/570084360.db2.gz OOOQNUMLTQHIRU-QNKXHIPISA-N 0 2 472.881 3.921 40 10 JHCBLN O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cccc(OCc2ccccc2F)c1 ZINC000408953294 570084491 /nfs/dbraw/zinc/08/44/91/570084491.db2.gz PNYWLJMFTLVZLT-YBFXNURJSA-N 0 2 460.417 3.800 40 10 JHCBLN O=C1NC(=O)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(N2CCOCC2)c(F)c1 ZINC000409133210 570141172 /nfs/dbraw/zinc/14/11/72/570141172.db2.gz MYFVYXSGZSEJDZ-JLHYYAGUSA-N 0 2 464.280 3.636 40 10 JHCBLN Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c(C)n1C[C@@H]1CCCO1 ZINC000409194359 570163149 /nfs/dbraw/zinc/16/31/49/570163149.db2.gz KSPXYCGKTJCTNN-PYJSORCASA-N 0 2 472.339 3.713 40 10 JHCBLN CC[C@@H](C)Oc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)cc1OC ZINC000409241316 570182151 /nfs/dbraw/zinc/18/21/51/570182151.db2.gz RBSSXEZORBXKHS-AZZDOICSSA-N 0 2 474.311 3.696 40 10 JHCBLN O=C1NC(=O)N(c2cccnc2)C(=O)/C1=C/c1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12 ZINC000409242722 570182545 /nfs/dbraw/zinc/18/25/45/570182545.db2.gz SRAUTSFZSYCVRP-CIAFOILYSA-N 0 2 467.441 3.659 40 10 JHCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)ccc1OC(=O)c1ccco1 ZINC000408529254 570187062 /nfs/dbraw/zinc/18/70/62/570187062.db2.gz CMFRJMUAPAHSHX-QGOAFFKASA-N 0 2 460.442 3.872 40 10 JHCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3OC)C2=O)ccc1OC(=O)c1ccco1 ZINC000408536528 570190411 /nfs/dbraw/zinc/19/04/11/570190411.db2.gz RSZRSCFOWSXLMC-DTQAZKPQSA-N 0 2 476.441 3.573 40 10 JHCBLN Cc1ccccc1N1C(=O)NC(=O)C(=Cc2ccccc2OC(=O)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000408537500 570190776 /nfs/dbraw/zinc/19/07/76/570190776.db2.gz VSNSAJVIQVVMEP-RGEXLXHISA-N 0 2 471.425 3.789 40 10 JHCBLN COc1ccc(C(=O)Oc2ccccc2/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)cc1 ZINC000408537980 570190870 /nfs/dbraw/zinc/19/08/70/570190870.db2.gz YBQPXEWPBZWHHY-JXAWBTAJSA-N 0 2 460.417 3.720 40 10 JHCBLN O=C1NC(=O)N(c2cccc(Br)c2)C(=O)/C1=C/c1ccccc1I ZINC000408550654 570194990 /nfs/dbraw/zinc/19/49/90/570194990.db2.gz ISFCZFGSRJCAJA-MDWZMJQESA-N 0 2 497.086 3.720 40 10 JHCBLN CCOc1ccc(OCC)c(N2C(=O)NC(=O)C(=Cc3cc([N+](=O)[O-])cc(OC)c3O)C2=O)c1 ZINC000059104083 195387773 /nfs/dbraw/zinc/38/77/73/195387773.db2.gz HIRFZJZRUAJFJS-OQLLNIDSSA-N 0 2 471.422 3.613 40 10 JHCBLN C#CCOc1c(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Br ZINC000033524542 569627270 /nfs/dbraw/zinc/62/72/70/569627270.db2.gz QGAKZVUFMXHELR-ZROIWOOFSA-N 0 2 476.124 3.685 40 10 JHCBLN COc1ccccc1NC(=O)[C@H](N=Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)C(C)=O ZINC000104123685 569841308 /nfs/dbraw/zinc/84/13/08/569841308.db2.gz HNKATEPUHNCQEQ-ANEHGGCBSA-N 0 2 473.536 3.633 40 10 JHCBLN COc1ccccc1NC(=O)C(=NNc1ccc(S(=O)(=O)Nc2nccs2)cc1)C(C)=O ZINC000104123685 569841310 /nfs/dbraw/zinc/84/13/10/569841310.db2.gz HNKATEPUHNCQEQ-ANEHGGCBSA-N 0 2 473.536 3.633 40 10 JHCBLN COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc([N+](=O)[O-])c1OCc1cccc(C)c1 ZINC000107757147 569857289 /nfs/dbraw/zinc/85/72/89/569857289.db2.gz BWJMBNQLYZOZCX-NDENLUEZSA-N 0 2 459.458 3.952 40 10 JHCBLN O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(Cl)cc([N+](=O)[O-])c1Oc1ccc([N+](=O)[O-])cn1 ZINC000107851112 569857668 /nfs/dbraw/zinc/85/76/68/569857668.db2.gz BXHUYSQQZBOZBM-SXGWCWSVSA-N 0 2 481.808 3.805 40 10 JHCBLN Cc1nn(-c2cccc([N+](=O)[O-])c2)c(C)c1C=C1C(=O)NC(=O)N(c2cccc(C)c2C)C1=O ZINC000408757328 570035870 /nfs/dbraw/zinc/03/58/70/570035870.db2.gz MBRMKWOMDFZJAJ-NDENLUEZSA-N 0 2 459.462 3.681 40 10 JHCBLN Cc1nn(-c2cccc([N+](=O)[O-])c2)c(C)c1C=C1C(=O)NC(=O)N(c2ccc(C)cc2C)C1=O ZINC000408757926 570036084 /nfs/dbraw/zinc/03/60/84/570036084.db2.gz SLMMZZWRMFNCBP-UDWIEESQSA-N 0 2 459.462 3.681 40 10 JHCBLN Cc1cc(N2C(=O)NC(=O)C(=Cc3ccc(Br)o3)C2=O)ccc1Br ZINC000408762588 570037259 /nfs/dbraw/zinc/03/72/59/570037259.db2.gz POEONFQRJBAGQH-YRNVUSSQSA-N 0 2 454.074 3.779 40 10 JHCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCc1ccc(F)cc1 ZINC000408810610 570048965 /nfs/dbraw/zinc/04/89/65/570048965.db2.gz JGQSVXGGXILVHW-RGVLZGJSSA-N 0 2 491.431 3.988 40 10 JHCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc(Br)c1OC ZINC000408819581 570051501 /nfs/dbraw/zinc/05/15/01/570051501.db2.gz ZKYNQYAKXNLZFF-OQLLNIDSSA-N 0 2 459.296 3.831 40 10 JHCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)c(Br)cc1O ZINC000408854580 570056128 /nfs/dbraw/zinc/05/61/28/570056128.db2.gz IVDUGWFLQVXPDN-OVCLIPMQSA-N 0 2 459.296 3.837 40 10 JHCBLN O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C\c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 ZINC000408854201 570056134 /nfs/dbraw/zinc/05/61/34/570056134.db2.gz 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CCCOc1c(OC)cc(/C=C2/C(=O)NN(c3ccc(Br)cc3)C2=O)cc1[N+](=O)[O-] ZINC000032099534 556416045 /nfs/dbraw/zinc/41/60/45/556416045.db2.gz AXLDNASMIULRCD-DHDCSXOGSA-N 0 2 476.283 3.616 40 10 JHCBLN O=C(COc1ccc([N+](=O)[O-])cc1/C=C1/C(=O)NN(c2ccccc2)C1=O)Nc1ccc(Cl)cc1 ZINC000033660650 569630096 /nfs/dbraw/zinc/63/00/96/569630096.db2.gz BBQIQPMQMIUTJW-MOSHPQCFSA-N 0 2 492.875 3.727 40 10 JHCBLN CC(=O)[C@@H](N=Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)C(=O)Nc1ccccc1C ZINC000104123653 569841171 /nfs/dbraw/zinc/84/11/71/569841171.db2.gz SPKMDSSTYIISGD-ANEHGGCBSA-N 0 2 457.537 3.932 40 10 JHCBLN CC(=O)[C@@H](N=Nc1ccc(S(=O)(=O)Nc2nncs2)cc1)C(=O)Nc1ccc(Cl)cc1 ZINC000104124085 569841499 /nfs/dbraw/zinc/84/14/99/569841499.db2.gz YKCSTRUIMLEQPE-PXFSWQRTSA-N 0 2 478.943 3.672 40 10 JHCBLN CC(=O)[C@@H](N=Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)C(=O)Nc1ccccc1C ZINC000104124204 569841530 /nfs/dbraw/zinc/84/15/30/569841530.db2.gz WITQEAPGFUVEIQ-RGCCPRADSA-N 0 2 451.508 3.871 40 10 JHCBLN COc1ccccc1NC(=O)[C@H](N=Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)C(C)=O ZINC000104124274 569841542 /nfs/dbraw/zinc/84/15/42/569841542.db2.gz AFZVWDJZQQNKPY-JMSHBIQUSA-N 0 2 467.507 3.571 40 10 JHCBLN COc1ccccc1NC(=O)C(=NNc1ccc(S(=O)(=O)Nc2ccccn2)cc1)C(C)=O ZINC000104124274 569841543 /nfs/dbraw/zinc/84/15/43/569841543.db2.gz AFZVWDJZQQNKPY-JMSHBIQUSA-N 0 2 467.507 3.571 40 10 JHCBLN O=C(NN1C(=O)/C(=C\c2ccc(O)c([N+](=O)[O-])c2)SC1=S)C12CC3CC(CC(C3)C1)C2 ZINC000110422741 569860794 /nfs/dbraw/zinc/86/07/94/569860794.db2.gz ZYIXFRRVUKJEOW-REZTVBANSA-N 0 2 459.549 3.749 40 10 JHCBLN COC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4cccc(C)c4)C3=O)c2C)cc1 ZINC000408743671 570033011 /nfs/dbraw/zinc/03/30/11/570033011.db2.gz UDORJGRKNGJKCZ-HYARGMPZSA-N 0 2 457.486 3.856 40 10 JHCBLN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c1C ZINC000408767787 570038312 /nfs/dbraw/zinc/03/83/12/570038312.db2.gz OGYSYFVBBDRPRQ-UDWIEESQSA-N 0 2 474.473 3.986 40 10 JHCBLN COc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1[N+](=O)[O-] ZINC000408780726 570041514 /nfs/dbraw/zinc/04/15/14/570041514.db2.gz JBHHCTQWNYCZFW-WUXMJOGZSA-N 0 2 480.658 3.686 40 10 JHCBLN COc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1[N+](=O)[O-] ZINC000408786994 570043472 /nfs/dbraw/zinc/04/34/72/570043472.db2.gz ZHZYFUMKNQDLJO-VGOFMYFVSA-N 0 2 474.267 3.649 40 10 JHCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(Br)c1OC(C)C ZINC000408801319 570045639 /nfs/dbraw/zinc/04/56/39/570045639.db2.gz VEVWZUYXVPEFPV-OVCLIPMQSA-N 0 2 475.295 3.617 40 10 JHCBLN COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)c(OCc2cccc([N+](=O)[O-])c2)c1 ZINC000408802502 570046189 /nfs/dbraw/zinc/04/61/89/570046189.db2.gz YKAIBDATKDDLHB-FYJGNVAPSA-N 0 2 473.441 3.849 40 10 JHCBLN CCCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc1OCC ZINC000408802548 570046204 /nfs/dbraw/zinc/04/62/04/570046204.db2.gz YQVSKJYXJLBQCA-GZTJUZNOSA-N 0 2 486.908 3.981 40 10 JHCBLN CCOC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)ccc3OC(C)C)C2=O)cc1 ZINC000408807520 570048075 /nfs/dbraw/zinc/04/80/75/570048075.db2.gz CYKORMCTLBTVIY-LDADJPATSA-N 0 2 456.882 3.970 40 10 JHCBLN CCOc1cc(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)c1 ZINC000408880908 570062802 /nfs/dbraw/zinc/06/28/02/570062802.db2.gz JDGGQSSOCOATEL-VCHYOVAHSA-N 0 2 490.297 3.973 40 10 JHCBLN COc1cc(I)cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)c1 ZINC000408883331 570063671 /nfs/dbraw/zinc/06/36/71/570063671.db2.gz QRGOVWCOOPGNFP-VIZOYTHASA-N 0 2 482.661 3.620 40 10 JHCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3OS(=O)(=O)c3ccc(C)cc3)C2=O)cc1 ZINC000408891289 570065742 /nfs/dbraw/zinc/06/57/42/570065742.db2.gz ODHPMBMBDZDKHF-RCCKNPSSSA-N 0 2 476.510 3.738 40 10 JHCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3OCC(=O)Nc3ccc(F)cc3)C2=O)cc1 ZINC000408896665 570067293 /nfs/dbraw/zinc/06/72/93/570067293.db2.gz HAUAPIPIDVSBGY-KGENOOAVSA-N 0 2 473.460 3.818 40 10 JHCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC(=O)Nc4ccccc4)cc3)C2=O)cc1 ZINC000408898342 570067687 /nfs/dbraw/zinc/06/76/87/570067687.db2.gz LILXKUUVXGYCJU-PXLXIMEGSA-N 0 2 455.470 3.679 40 10 JHCBLN COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)c(OCc2ccccc2F)c1 ZINC000408899756 570068066 /nfs/dbraw/zinc/06/80/66/570068066.db2.gz QSDFNNKUTYVHDL-UDWIEESQSA-N 0 2 462.433 3.785 40 10 JHCBLN O=C1NC(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1 ZINC000408915492 570075230 /nfs/dbraw/zinc/07/52/30/570075230.db2.gz WGANIUUJELMHSK-CIAFOILYSA-N 0 2 461.405 3.979 40 10 JHCBLN CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc(Cl)c1OCC(=O)OC ZINC000408983152 570091336 /nfs/dbraw/zinc/09/13/36/570091336.db2.gz KZPWMDGZJKUHHE-YVLHZVERSA-N 0 2 486.908 3.519 40 10 JHCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc4c(cc3Br)OCO4)C2=O)cc1Cl ZINC000408988061 570093086 /nfs/dbraw/zinc/09/30/86/570093086.db2.gz QGXAFRFMGPKRNJ-UUILKARUSA-N 0 2 463.671 3.806 40 10 JHCBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC(=O)Nc4cccc(C)c4)cc3)C2=O)cc1 ZINC000409049177 570109537 /nfs/dbraw/zinc/10/95/37/570109537.db2.gz VJHKHWKBTVKFBP-HZHRSRAPSA-N 0 2 485.496 3.688 40 10 JHCBLN O=C1NC(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1ccccc1OS(=O)(=O)c1ccccc1 ZINC000409066001 570116347 /nfs/dbraw/zinc/11/63/47/570116347.db2.gz JSEIDOSSLKEXPH-SAPNQHFASA-N 0 2 482.901 3.774 40 10 JHCBLN COc1cc(OC)c(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)c(OC)c1 ZINC000409087594 570123675 /nfs/dbraw/zinc/12/36/75/570123675.db2.gz IZJPWCMFYDMDCC-FMIVXFBMSA-N 0 2 451.262 3.686 40 10 JHCBLN Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)ccc1N1CCOCC1 ZINC000409096140 570126652 /nfs/dbraw/zinc/12/66/52/570126652.db2.gz FNGPLXUHLXYRPM-NTCAYCPXSA-N 0 2 460.317 3.805 40 10 JHCBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3OCC(=O)Nc3ccc(C)cc3)C2=O)cc1 ZINC000409227706 570176292 /nfs/dbraw/zinc/17/62/92/570176292.db2.gz VFFWNZLYUHVIQS-PXLXIMEGSA-N 0 2 485.496 3.688 40 10 JHCBLN CCOc1ccccc1N1C(=O)NC(=O)C(=Cc2cc(Br)c(OC)cc2OC)C1=O ZINC000409231553 570177972 /nfs/dbraw/zinc/17/79/72/570177972.db2.gz JTSUXFDEIOAJNR-UKTHLTGXSA-N 0 2 475.295 3.531 40 10 JHCBLN COc1cc(N2CCCC2)c(OC)cc1/C=C1\C(=O)NC(=O)N(c2cccc(Cl)c2C)C1=O ZINC000409233471 570178657 /nfs/dbraw/zinc/17/86/57/570178657.db2.gz SJHHJEHZKKLWCC-LFIBNONCSA-N 0 2 469.925 3.932 40 10 JHCBLN Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)c(C)n1-c1ccccc1Br ZINC000409246856 570184571 /nfs/dbraw/zinc/18/45/71/570184571.db2.gz FJBCIZPFBNYQBT-GZTJUZNOSA-N 0 2 465.307 3.918 40 10 JHCBLN Cc1ccc2nsnc2c1NC=C1C(=O)NC(=O)N(c2ccc(Br)c(C)c2C)C1=O ZINC000408526307 570185998 /nfs/dbraw/zinc/18/59/98/570185998.db2.gz AUADBFVKQWOXSC-XYOKQWHBSA-N 0 2 486.351 3.958 40 10 JHCBLN Cc1cccc(NC(=O)COc2cccc(/C=C3/C(=O)NC(=O)N(c4ccccc4)C3=O)c2)c1C ZINC000409258495 570187245 /nfs/dbraw/zinc/18/72/45/570187245.db2.gz VGAKVVOTOYOLID-JCMHNJIXSA-N 0 2 469.497 3.987 40 10 JHCBLN O=C(COc1cccc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)c1)Nc1ccccc1Cl ZINC000409261806 570187706 /nfs/dbraw/zinc/18/77/06/570187706.db2.gz BNLWFQSCQRXPAU-UYRXBGFRSA-N 0 2 491.887 3.730 40 10 JHCBLN COc1ccccc1N1C(=O)NC(=O)C(=Cc2ccccc2OC(=O)c2ccc(C)cc2)C1=O ZINC000408530805 570187828 /nfs/dbraw/zinc/18/78/28/570187828.db2.gz FWVAMVCYNZZJTL-CYVLTUHYSA-N 0 2 456.454 3.889 40 10 JHCBLN CCCCOC(=O)c1cc(NC=C2C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)ccc1Cl ZINC000408533014 570188791 /nfs/dbraw/zinc/18/87/91/570188791.db2.gz NVFSPDMDJMXVMW-AQTBWJFISA-N 0 2 471.897 3.884 40 10 JHCBLN Cc1cc(N2C(=O)NC(=O)C(=CNC(=S)Nc3ccccc3)C2=O)c(C)cc1Br ZINC000408533942 570189234 /nfs/dbraw/zinc/18/92/34/570189234.db2.gz PPQLUNDBUSJKDO-GXDHUFHOSA-N 0 2 473.352 3.519 40 10 JHCBLN Cc1ccc2[nH]c(=NC=C3C(=O)NC(=O)N(c4cc(C)c(Br)cc4C)C3=O)sc2c1 ZINC000408534959 570189822 /nfs/dbraw/zinc/18/98/22/570189822.db2.gz RVTONJSDSBUYGS-UKTHLTGXSA-N 0 2 485.363 4.563 40 10 JHCBLN CCOc1ccc(OCC)c(N2C(=O)NC(=O)C(=Cc3cc4c(cc3[N+](=O)[O-])OCO4)C2=O)c1 ZINC000059104823 195388349 /nfs/dbraw/zinc/38/83/49/195388349.db2.gz QJPDXYHOJVULGM-AUWJEWJLSA-N 0 2 469.406 3.628 40 10 JHCBLN O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc(Br)c(Br)o1 ZINC000059336647 195397510 /nfs/dbraw/zinc/39/75/10/195397510.db2.gz DUHZMHIKYHYDQQ-BJMVGYQFSA-N 0 2 458.037 3.610 40 10 JHCBLN O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)c([N+](=O)[O-])c1 ZINC000033667611 569630317 /nfs/dbraw/zinc/63/03/17/569630317.db2.gz QJBFNBLKYHWZEM-UNOMPAQXSA-N 0 2 460.402 3.543 40 10 JHCBLN Cc1c(N2C(=O)/C(=C/c3ccc(O)c([N+](=O)[O-])c3)SC2=S)c(=O)n(-c2ccccc2)n1C ZINC000036617160 569778427 /nfs/dbraw/zinc/77/84/27/569778427.db2.gz MGQCUOAYACFDCX-BOPFTXTBSA-N 0 2 468.516 3.504 40 10 JHCBLN CCCC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)Nc1ccc(S(N)(=O)=O)cc1 ZINC000103919084 569839113 /nfs/dbraw/zinc/83/91/13/569839113.db2.gz YACFOHYBBQFMJP-UYRXBGFRSA-N 0 2 455.565 3.833 40 10 JHCBLN COc1ccccc1NC(=O)[C@@H](N=Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)C(C)=O ZINC000104123680 569841154 /nfs/dbraw/zinc/84/11/54/569841154.db2.gz HNKATEPUHNCQEQ-FTGFMQHASA-N 0 2 473.536 3.633 40 10 JHCBLN COc1ccccc1NC(=O)C(=NNc1ccc(S(=O)(=O)Nc2nccs2)cc1)C(C)=O ZINC000104123680 569841156 /nfs/dbraw/zinc/84/11/56/569841156.db2.gz HNKATEPUHNCQEQ-FTGFMQHASA-N 0 2 473.536 3.633 40 10 JHCBLN COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)cc1Br ZINC000408740610 570031915 /nfs/dbraw/zinc/03/19/15/570031915.db2.gz HKKPVQWTFUVCGJ-NTUHNPAUSA-N 0 2 480.112 3.887 40 10 JHCBLN CCOC(=O)COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1OC ZINC000408776305 570040276 /nfs/dbraw/zinc/04/02/76/570040276.db2.gz YJFWMNPAMIEGPQ-RQZCQDPDSA-N 0 2 486.908 3.574 40 10 JHCBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OC(C)C)c(Br)c3)C2=O)cc1 ZINC000408804718 570047028 /nfs/dbraw/zinc/04/70/28/570047028.db2.gz GWOUXZJINBSLRJ-MHWRWJLKSA-N 0 2 459.296 3.911 40 10 JHCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc(Br)c1OC ZINC000408805625 570047431 /nfs/dbraw/zinc/04/74/31/570047431.db2.gz BCLGYIAXSDVWJN-AWNIVKPZSA-N 0 2 465.687 3.786 40 10 JHCBLN CCCOc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000408811387 570049124 /nfs/dbraw/zinc/04/91/24/570049124.db2.gz VKBJSCKBTYZMEM-MHWRWJLKSA-N 0 2 474.267 3.813 40 10 JHCBLN CCc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)c(N4CCCC4)o3)C2=O)cc1 ZINC000408848756 570055090 /nfs/dbraw/zinc/05/50/90/570055090.db2.gz TUGDOMGWKMPPML-LFIBNONCSA-N 0 2 458.312 3.871 40 10 JHCBLN COc1cc(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)c1 ZINC000408876346 570061258 /nfs/dbraw/zinc/06/12/58/570061258.db2.gz KYUSILPNMPCXKF-CXUHLZMHSA-N 0 2 476.270 3.583 40 10 JHCBLN COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)c(OCc2ccccc2F)c1 ZINC000408889688 570065378 /nfs/dbraw/zinc/06/53/78/570065378.db2.gz IZGGIDPVXMACFL-RGVLZGJSSA-N 0 2 491.431 3.988 40 10 JHCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3OCC(=O)Nc3ccccc3)C2=O)cc1 ZINC000408897914 570067594 /nfs/dbraw/zinc/06/75/94/570067594.db2.gz JOHQBMLFXQCODY-RCCKNPSSSA-N 0 2 455.470 3.679 40 10 JHCBLN CCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3C)C2=O)cc1OC ZINC000408900449 570068286 /nfs/dbraw/zinc/06/82/86/570068286.db2.gz SPXWGLALCODFGY-GDNBJRDFSA-N 0 2 459.296 3.831 40 10 JHCBLN 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COc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1C ZINC000409264708 570188225 /nfs/dbraw/zinc/18/82/25/570188225.db2.gz PMFXUSABNDPELT-STZFKDTASA-N 0 2 499.523 3.996 40 10 JHCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(OC)c3)C2=O)ccc1OC(=O)c1ccco1 ZINC000408534826 570189611 /nfs/dbraw/zinc/18/96/11/570189611.db2.gz MNXSWGGDQPGXRG-LDADJPATSA-N 0 2 476.441 3.573 40 10 JHCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3F)C2=O)ccc1OC(=O)c1ccccc1 ZINC000408535367 570189946 /nfs/dbraw/zinc/18/99/46/570189946.db2.gz NUNAWJNEGASJIQ-GHRIWEEISA-N 0 2 460.417 3.720 40 10 JHCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OC(=O)c1ccco1 ZINC000408537459 570190728 /nfs/dbraw/zinc/19/07/28/570190728.db2.gz VOZHOUXKTSCPTC-LFIBNONCSA-N 0 2 466.833 3.827 40 10 JHCBLN CCc1ccccc1N1C(=O)NC(=O)C(=Cc2cc(Br)c(N3CCCC3)o2)C1=O ZINC000059247926 195395839 /nfs/dbraw/zinc/39/58/39/195395839.db2.gz WYJATSPEYIBCAQ-RVDMUPIBSA-N 0 2 458.312 3.871 40 10 JHCBLN CC(=O)Nc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)c2C)cc1 ZINC000013371879 555392599 /nfs/dbraw/zinc/39/25/99/555392599.db2.gz NOHZSAXBFDLQOZ-LPYMAVHISA-N 0 2 460.465 3.858 40 10 JHCBLN CCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccccc3C)C2=O)cc1I ZINC000015013510 555855166 /nfs/dbraw/zinc/85/51/66/555855166.db2.gz KDSDTTNJBVMIGB-UVTDQMKNSA-N 0 2 476.270 3.665 40 10 JHCBLN COc1ccc(S(=O)(=O)c2c(C)c(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc(C)c2O)cc1 ZINC000026786826 556262875 /nfs/dbraw/zinc/26/28/75/556262875.db2.gz GTQFCMKXSJWVIQ-UHFFFAOYSA-N 0 2 492.531 3.559 40 10 JHCBLN O=C(COc1c(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-])Nc1ccccc1 ZINC000033423115 569626209 /nfs/dbraw/zinc/62/62/09/569626209.db2.gz YSHZOTUUUDZCHG-WQRHYEAKSA-N 0 2 492.875 3.727 40 10 JHCBLN COc1ccc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c(OC)c1OC ZINC000033893427 569636991 /nfs/dbraw/zinc/63/69/91/569636991.db2.gz WQZKUAVQZUIPID-GXDHUFHOSA-N 0 2 461.268 3.982 40 10 JHCBLN CC(=O)[C@H](N=Nc1ccc(S(=O)(=O)Nc2nncs2)cc1)C(=O)Nc1cc(C)cc(C)c1 ZINC000104123957 569841342 /nfs/dbraw/zinc/84/13/42/569841342.db2.gz VHIANUFVZUUAJJ-XZSMOWGESA-N 0 2 472.552 3.636 40 10 JHCBLN COc1ccccc1NC(=O)[C@H](N=Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)C(C)=O ZINC000104123690 569841391 /nfs/dbraw/zinc/84/13/91/569841391.db2.gz HNKATEPUHNCQEQ-IUBFCHALSA-N 0 2 473.536 3.633 40 10 JHCBLN COc1ccccc1NC(=O)C(=NNc1ccc(S(=O)(=O)Nc2nccs2)cc1)C(C)=O ZINC000104123690 569841392 /nfs/dbraw/zinc/84/13/92/569841392.db2.gz HNKATEPUHNCQEQ-IUBFCHALSA-N 0 2 473.536 3.633 40 10 JHCBLN COc1ccccc1NC(=O)[C@H](N=Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)C(C)=O ZINC000104124268 569841522 /nfs/dbraw/zinc/84/15/22/569841522.db2.gz AFZVWDJZQQNKPY-RGCCPRADSA-N 0 2 467.507 3.571 40 10 JHCBLN COc1ccccc1NC(=O)C(=NNc1ccc(S(=O)(=O)Nc2ccccn2)cc1)C(C)=O ZINC000104124268 569841523 /nfs/dbraw/zinc/84/15/23/569841523.db2.gz AFZVWDJZQQNKPY-RGCCPRADSA-N 0 2 467.507 3.571 40 10 JHCBLN CC[C@H](C)Oc1c(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC000107767109 569857351 /nfs/dbraw/zinc/85/73/51/569857351.db2.gz NFSRJDMNAKLEEV-ZENNRRHLSA-N 0 2 460.284 3.996 40 10 JHCBLN CC[C@@H](C)Oc1c(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC000107767101 569857388 /nfs/dbraw/zinc/85/73/88/569857388.db2.gz NFSRJDMNAKLEEV-CDCQXCROSA-N 0 2 460.284 3.996 40 10 JHCBLN COc1ccccc1NC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1 ZINC000108073826 569858535 /nfs/dbraw/zinc/85/85/35/569858535.db2.gz UNTJVWNQGSLHIH-XSFVSMFZSA-N 0 2 489.459 3.518 40 10 JHCBLN O=C(Oc1ccc([N+](=O)[O-])cc1/C=C1/C(=O)NN(c2ccccc2)C1=O)c1ccc(Cl)cc1 ZINC000108093054 569858612 /nfs/dbraw/zinc/85/86/12/569858612.db2.gz HWNOOBUGQMWTJW-UYRXBGFRSA-N 0 2 463.833 3.929 40 10 JHCBLN COC(=O)c1cc(OC)c(OC)cc1N=C(C)C1C(C)=NN(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000112294789 569861200 /nfs/dbraw/zinc/86/12/00/569861200.db2.gz UNXIGHMMWGYRSC-NDENLUEZSA-N 0 2 454.439 3.507 40 10 JHCBLN COC(=O)c1cc(OC)c(OC)cc1N=C(C)c1c(C)[nH]n(-c2ccc([N+](=O)[O-])cc2)c1=O ZINC000112294789 569861201 /nfs/dbraw/zinc/86/12/01/569861201.db2.gz UNXIGHMMWGYRSC-NDENLUEZSA-N 0 2 454.439 3.507 40 10 JHCBLN COc1ccc(N2N=C(C)C(=C(C)Nc3ccc(S(=O)(=O)Nc4ccccn4)cc3)C2=O)cc1 ZINC000112296725 569861234 /nfs/dbraw/zinc/86/12/34/569861234.db2.gz IIAFZULUHXFSAN-KQWNVCNZSA-N 0 2 477.546 4.000 40 10 JHCBLN Cc1cccc(N2C(=O)NC(=O)C(=Cc3cc(Br)c(O)c(Br)c3)C2=O)c1 ZINC000408742262 570032555 /nfs/dbraw/zinc/03/25/55/570032555.db2.gz VRFZNABSJMDALB-WUXMJOGZSA-N 0 2 480.112 3.892 40 10 JHCBLN CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1I ZINC000408775166 570040005 /nfs/dbraw/zinc/04/00/05/570040005.db2.gz FJOFHPFDCCVRQC-MHWRWJLKSA-N 0 2 490.297 3.973 40 10 JHCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(Cl)c1OCC ZINC000408800023 570045122 /nfs/dbraw/zinc/04/51/22/570045122.db2.gz MWMOUMQROHLCDZ-MHWRWJLKSA-N 0 2 472.881 3.590 40 10 JHCBLN CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)c(N4CCCC4)o3)C2=O)cc1 ZINC000408850998 570055494 /nfs/dbraw/zinc/05/54/94/570055494.db2.gz UCAZPZSKQPIHRG-LFIBNONCSA-N 0 2 474.311 3.707 40 10 JHCBLN COC(=O)COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1Cl ZINC000408851218 570055578 /nfs/dbraw/zinc/05/55/78/570055578.db2.gz WLZZVICKSIFINZ-VIZOYTHASA-N 0 2 477.300 3.828 40 10 JHCBLN CCCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OC)c(Br)c3)C2=O)cc1 ZINC000408901358 570068662 /nfs/dbraw/zinc/06/86/62/570068662.db2.gz XKYZEEQZCHJCLL-WJDWOHSUSA-N 0 2 459.296 3.913 40 10 JHCBLN Cc1cc(Br)ccc1N1C(=O)NC(=O)C(=Cc2ccc(O)c(Br)c2)C1=O ZINC000408901532 570068837 /nfs/dbraw/zinc/06/88/37/570068837.db2.gz YOSMHCPBDCFGNM-GHXNOFRVSA-N 0 2 480.112 3.892 40 10 JHCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000408903703 570070138 /nfs/dbraw/zinc/07/01/38/570070138.db2.gz WTJQNEYYYOAASR-LICLKQGHSA-N 0 2 478.392 3.596 40 10 JHCBLN O=C1NC(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1ccccc1OCc1cccc([N+](=O)[O-])c1 ZINC000408912499 570073519 /nfs/dbraw/zinc/07/35/19/570073519.db2.gz HNKFNUGNIGCKHC-UDWIEESQSA-N 0 2 461.405 3.979 40 10 JHCBLN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)c1C ZINC000408914969 570074958 /nfs/dbraw/zinc/07/49/58/570074958.db2.gz SKZCLWBVMRIIRF-VXLYETTFSA-N 0 2 478.436 3.816 40 10 JHCBLN O=C1NC(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1ccc(OCc2ccc(F)cc2)cc1 ZINC000408946678 570083658 /nfs/dbraw/zinc/08/36/58/570083658.db2.gz ZCAWMXUOVPKUSI-FYJGNVAPSA-N 0 2 461.405 3.979 40 10 JHCBLN O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccccc1OCc1cccc([N+](=O)[O-])c1 ZINC000408947898 570083737 /nfs/dbraw/zinc/08/37/37/570083737.db2.gz DMHMOCWLZFZXSH-YBFXNURJSA-N 0 2 487.424 3.569 40 10 JHCBLN CC[C@@H](C)Oc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1OC ZINC000408952650 570084329 /nfs/dbraw/zinc/08/43/29/570084329.db2.gz OOOQNUMLTQHIRU-IWTIEGKHSA-N 0 2 472.881 3.921 40 10 JHCBLN COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1Br ZINC000408956086 570084963 /nfs/dbraw/zinc/08/49/63/570084963.db2.gz VXIXXNMCTRXSBR-NYYWCZLTSA-N 0 2 479.670 3.506 40 10 JHCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Cl)c1OC(C)C ZINC000408957006 570085003 /nfs/dbraw/zinc/08/50/03/570085003.db2.gz ZQAMQYNLJUDQCO-VIZOYTHASA-N 0 2 472.881 3.921 40 10 JHCBLN O=C(COc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(O)cc2)C1=O)Nc1ccccc1 ZINC000409044486 570108236 /nfs/dbraw/zinc/10/82/36/570108236.db2.gz VIFKGVIDQAXXLT-DEDYPNTBSA-N 0 2 491.887 3.730 40 10 JHCBLN O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C\c1cccc(OS(=O)(=O)c2ccccc2)c1 ZINC000409067596 570117003 /nfs/dbraw/zinc/11/70/03/570117003.db2.gz FWJWHXXTCBSDPW-MOSHPQCFSA-N 0 2 482.901 3.774 40 10 JHCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OS(=O)(=O)c4ccccc4)cc3)C2=O)cc1C ZINC000409070380 570118112 /nfs/dbraw/zinc/11/81/12/570118112.db2.gz FUUMTEVJNUZLJA-PXLXIMEGSA-N 0 2 476.510 3.738 40 10 JHCBLN O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1cc(Cl)ccc1OS(=O)(=O)c1ccccc1 ZINC000409072389 570118833 /nfs/dbraw/zinc/11/88/33/570118833.db2.gz NFYZXIBZXHTMTG-XMHGGMMESA-N 0 2 482.901 3.774 40 10 JHCBLN O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C\c1ccccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409090261 570124590 /nfs/dbraw/zinc/12/45/90/570124590.db2.gz LUQQSZFHGRRHSQ-GZTJUZNOSA-N 0 2 490.384 3.667 40 10 JHCBLN CCOc1ccccc1N1C(=O)NC(=O)C(=Cc2cc(C)n(-c3ccc4c(c3)OCO4)c2C)C1=O ZINC000409229665 570177286 /nfs/dbraw/zinc/17/72/86/570177286.db2.gz SPOUHRVUJROACE-XDHOZWIPSA-N 0 2 473.485 3.888 40 10 JHCBLN CCOc1ccccc1N1C(=O)NC(=O)C(=Cc2cc(C)n(-c3cccc(C(=O)OC)c3)c2C)C1=O ZINC000409238576 570180893 /nfs/dbraw/zinc/18/08/93/570180893.db2.gz AYFQNYKGYMDGMT-RCCKNPSSSA-N 0 2 487.512 3.946 40 10 JHCBLN CCOC(=O)Cn1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)c2ccccc21 ZINC000409238901 570181008 /nfs/dbraw/zinc/18/10/08/570181008.db2.gz MBICWSGTHRASRW-GZTJUZNOSA-N 0 2 465.893 3.833 40 10 JHCBLN CCOc1ccccc1N1C(=O)NC(=O)C(=Cc2cc(C)n(-c3ccccc3C(=O)OC)c2C)C1=O ZINC000409241715 570182227 /nfs/dbraw/zinc/18/22/27/570182227.db2.gz TYLAOUNGNZCDHH-HMMYKYKNSA-N 0 2 487.512 3.946 40 10 JHCBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OC(=O)c4ccccc4)c(OC)c3)C2=O)cc1 ZINC000408528740 570186929 /nfs/dbraw/zinc/18/69/29/570186929.db2.gz BTONKFOBMLEOMG-XSFVSMFZSA-N 0 2 472.453 3.589 40 10 JHCBLN Cc1cccc(NC(=O)COc2ccccc2/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)c1C ZINC000409265994 570188488 /nfs/dbraw/zinc/18/84/88/570188488.db2.gz VOFLDCDDICLPGX-QNGOZBTKSA-N 0 2 469.497 3.987 40 10 JHCBLN Cc1cccc(NC(=O)COc2ccccc2/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)c1C ZINC000409272034 570189451 /nfs/dbraw/zinc/18/94/51/570189451.db2.gz XUZFDYJCVUCPGM-STZFKDTASA-N 0 2 485.496 3.693 40 10 JHCBLN Cc1cccc(N2C(=O)NC(=O)C(=Cc3ccccc3OC(=O)c3ccc4c(c3)OCO4)C2=O)c1 ZINC000408534485 570189525 /nfs/dbraw/zinc/18/95/25/570189525.db2.gz MDDLDQYKPBGBPM-UNOMPAQXSA-N 0 2 470.437 3.609 40 10 JHCBLN COc1cccc(N2C(=O)NC(=O)C(=Cc3ccccc3OC(=O)c3ccc(C)cc3)C2=O)c1 ZINC000408535933 570190225 /nfs/dbraw/zinc/19/02/25/570190225.db2.gz PDOXAZYCUAVBQP-STZFKDTASA-N 0 2 456.454 3.889 40 10 JHCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3OC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000408536110 570190335 /nfs/dbraw/zinc/19/03/35/570190335.db2.gz PTJPDHDBHNXFNT-ZHZULCJRSA-N 0 2 471.425 3.789 40 10 JHCBLN COc1ccc(C(=O)Oc2ccccc2/C=C2/C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc1 ZINC000408537792 570190951 /nfs/dbraw/zinc/19/09/51/570190951.db2.gz XHRRVZZHCFTBJC-QNGOZBTKSA-N 0 2 456.454 3.889 40 10 JHCBLN CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(Cl)c1OCC(=O)OC ZINC000059135468 195390257 /nfs/dbraw/zinc/39/02/57/195390257.db2.gz IBLAWURDKFTUPU-OVCLIPMQSA-N 0 2 476.844 3.936 40 10 JHCBLN CCOc1cc(/C=C2/C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)c(Br)cc1O ZINC000015012453 520623422 /nfs/dbraw/zinc/62/34/22/520623422.db2.gz PJEITASMQQZVAY-NVNXTCNLSA-N 0 2 459.296 3.837 40 10 JHCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(Br)c1OCC ZINC000012411413 520629285 /nfs/dbraw/zinc/62/92/85/520629285.db2.gz XLEGYQXBMZZPOD-XNTDXEJSSA-N 0 2 459.296 3.913 40 10 JHCBLN CC(Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1)=C1C(C)=NN(c2ccc(F)cc2)C1=O ZINC000020286488 555755161 /nfs/dbraw/zinc/75/51/61/555755161.db2.gz ZOPFPBLPDPUAGV-QNGOZBTKSA-N 0 2 480.525 3.834 40 10 JHCBLN CC(=Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1)C1C(C)=NN(c2ccc(F)cc2)C1=O ZINC000020286488 555755162 /nfs/dbraw/zinc/75/51/62/555755162.db2.gz ZOPFPBLPDPUAGV-QNGOZBTKSA-N 0 2 480.525 3.834 40 10 JHCBLN CC(=Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1)c1c(C)[nH]n(-c2ccc(F)cc2)c1=O ZINC000020286488 555755163 /nfs/dbraw/zinc/75/51/63/555755163.db2.gz ZOPFPBLPDPUAGV-QNGOZBTKSA-N 0 2 480.525 3.834 40 10 JHCBLN COC(=O)Cc1[nH]n(-c2nc3ccccc3s2)c(=O)c1C(C)=Nc1cc(OC)ccc1OC ZINC000020287180 555755421 /nfs/dbraw/zinc/75/54/21/555755421.db2.gz UNMDXNMJYXLBOZ-BKUYFWCQSA-N 0 2 466.519 3.965 40 10 JHCBLN COc1ccc(S(=O)(=O)c2cc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)c(C)c(C)c2O)cc1 ZINC000026786894 556262948 /nfs/dbraw/zinc/26/29/48/556262948.db2.gz ZCMWKHKAHJYSPK-UHFFFAOYSA-N 0 2 492.531 3.559 40 10 JHCBLN COc1ccc(S(=O)(=O)c2c(C)c(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)c(C)cc2O)cc1 ZINC000026786910 556263391 /nfs/dbraw/zinc/26/33/91/556263391.db2.gz WVQJQTSYWDXXPT-UHFFFAOYSA-N 0 2 492.531 3.559 40 10 JHCBLN Oc1c(Cl)cc(Oc2cc(Cl)c(O)c(CN3CCOCC3)c2)cc1CN1CCOCC1 ZINC000031628495 556400675 /nfs/dbraw/zinc/40/06/75/556400675.db2.gz OSYFJLSHWOAYDF-UHFFFAOYSA-N 0 2 469.365 3.861 40 10 JHCBLN O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408805844 570047332 /nfs/dbraw/zinc/04/73/32/570047332.db2.gz LTYZHFZIVHONDE-UDWIEESQSA-N 0 2 488.412 3.748 40 10 JHCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4ccccc4)cc3)C2=O)cc1 ZINC000408807736 570048135 /nfs/dbraw/zinc/04/81/35/570048135.db2.gz HMMWRGVGZPISBL-PXLXIMEGSA-N 0 2 456.454 3.719 40 10 JHCBLN Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(C)c4)C3=O)cc2)cc1 ZINC000408896575 570067135 /nfs/dbraw/zinc/06/71/35/570067135.db2.gz OLYYYWMGDJKBHT-PXLXIMEGSA-N 0 2 476.510 3.738 40 10 JHCBLN Cc1ccc(S(=O)(=O)Oc2ccccc2/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)cc1 ZINC000408896817 570067303 /nfs/dbraw/zinc/06/73/03/570067303.db2.gz TXQWIZHVNKNPOF-HMMYKYKNSA-N 0 2 476.510 3.738 40 10 JHCBLN Cc1ccc(NC(=O)COc2ccccc2/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1 ZINC000408902787 570069494 /nfs/dbraw/zinc/06/94/94/570069494.db2.gz LGQGYNHRDNLWOG-KGENOOAVSA-N 0 2 473.460 3.818 40 10 JHCBLN O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408955433 570084829 /nfs/dbraw/zinc/08/48/29/570084829.db2.gz ULFHVSPLQKLYJL-YBFXNURJSA-N 0 2 487.424 3.569 40 10 JHCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(I)cc3)C2=O)cc1Cl ZINC000408986965 570092707 /nfs/dbraw/zinc/09/27/07/570092707.db2.gz NXJXJQCHSYUFBC-ZSOIEALJSA-N 0 2 466.662 3.919 40 10 JHCBLN Cc1cc(N2CCOCC2)ccc1/C=C1\C(=O)NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O ZINC000409073789 570119201 /nfs/dbraw/zinc/11/92/01/570119201.db2.gz INTNREXFCHSHML-GZTJUZNOSA-N 0 2 460.317 3.805 40 10 JHCBLN Cc1cc(N2CCOCC2)ccc1/C=C1\C(=O)NC(=O)N(c2ccc(Br)cc2C)C1=O ZINC000409098594 570127617 /nfs/dbraw/zinc/12/76/17/570127617.db2.gz PIWKKVJLUBMZNO-CPNJWEJPSA-N 0 2 484.350 3.569 40 10 JHCBLN COc1cc(N2CCCC2)c(OC)cc1/C=C1\C(=O)NC(=O)N(c2cccc(Cl)c2)C1=O ZINC000409106038 570130113 /nfs/dbraw/zinc/13/01/13/570130113.db2.gz KMBLAKFALQDOOS-LICLKQGHSA-N 0 2 455.898 3.624 40 10 JHCBLN CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3OCC)C2=O)cc1Br ZINC000409228997 570177011 /nfs/dbraw/zinc/17/70/11/570177011.db2.gz IHKLMFWHNKUXFS-SDNWHVSQSA-N 0 2 459.296 3.913 40 10 JHCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3OCC)C2=O)c(Br)cc1O ZINC000409246327 570184308 /nfs/dbraw/zinc/18/43/08/570184308.db2.gz BBZYTUUTQNYFCK-UKTHLTGXSA-N 0 2 475.295 3.619 40 10 JHCBLN Cc1ccccc1NC(=O)COc1cccc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)c1 ZINC000409261736 570187637 /nfs/dbraw/zinc/18/76/37/570187637.db2.gz DDIBYXWBSPGKNL-QNGOZBTKSA-N 0 2 455.470 3.679 40 10 JHCBLN Cc1[nH]n(-c2ccc(Br)c(C)c2C)c(=O)c1C=Nc1ccc2c(c1)C(=O)NC2=O ZINC000408531844 570188292 /nfs/dbraw/zinc/18/82/92/570188292.db2.gz OUMRROYUASYZIO-SXGWCWSVSA-N 0 2 453.296 3.668 40 10 JHCBLN Cc1ccc(N2C(=O)NC(=O)C(=CNc3ncc(Br)cc3Br)C2=O)cc1C ZINC000408532429 570188545 /nfs/dbraw/zinc/18/85/45/570188545.db2.gz MPVIGLWJHWGORP-MDWZMJQESA-N 0 2 494.143 3.802 40 10 JHCBLN Cc1ccccc1NC(=O)COc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(F)cc2)C1=O ZINC000409268602 570188863 /nfs/dbraw/zinc/18/88/63/570188863.db2.gz WKVUGQOMGKEUPP-XSFVSMFZSA-N 0 2 473.460 3.818 40 10 JHCBLN COc1ccc(C(=O)Oc2ccccc2/C=C2/C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1 ZINC000408535345 570189842 /nfs/dbraw/zinc/18/98/42/570189842.db2.gz NRJCHKOYPSGGDY-QNGOZBTKSA-N 0 2 456.454 3.889 40 10 JHCBLN CCc1cc(Br)ccc1N1C(=O)NC(=O)C(=CNc2ccc(C)c([N+](=O)[O-])c2)C1=O ZINC000408537838 570190878 /nfs/dbraw/zinc/19/08/78/570190878.db2.gz HLVDMRSBWJOBGO-XNTDXEJSSA-N 0 2 473.283 3.807 40 10 JHCBLN O=C1c2ccc(-c3ccc4c(c3)C(=O)c3c(O)c(O)ccc3C4=O)cc2C(=O)c2c(O)c(O)ccc21 ZINC000004783172 527121568 /nfs/dbraw/zinc/12/15/68/527121568.db2.gz ZUDQTYYYECELEH-UHFFFAOYSA-N 0 2 478.412 3.727 40 10 JHCBLN Cc1ccccc1N1C(=O)NC(=O)C(=Cc2cc(Br)c(Br)o2)C1=O ZINC000014133116 555700565 /nfs/dbraw/zinc/70/05/65/555700565.db2.gz ZFQBDYOWEZTYMJ-UXBLZVDNSA-N 0 2 454.074 3.779 40 10 JHCBLN CC(C)(C)Oc1c(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC000033737689 569632871 /nfs/dbraw/zinc/63/28/71/569632871.db2.gz CHTPHKOBKZNNIS-ZROIWOOFSA-N 0 2 460.284 3.996 40 10 JHCBLN O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(-c2cc3c(cc2[N+](=O)[O-])OCO3)o1 ZINC000041074179 569834969 /nfs/dbraw/zinc/83/49/69/569834969.db2.gz XYXFZSYUVTXECV-CHHVJCJISA-N 0 2 481.804 3.903 40 10 JHCBLN COC(=O)Cc1[nH]n(-c2nc3ccccc3s2)c(=O)c1C(C)=Nc1ccccc1C(=O)OC ZINC000103920246 569839317 /nfs/dbraw/zinc/83/93/17/569839317.db2.gz VWAWYWGMMJNVMT-MOSHPQCFSA-N 0 2 464.503 3.735 40 10 JHCBLN Cc1cccc(N2C(=O)NC(=O)C(=Cc3ccccc3OC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)c1 ZINC000108076161 569858532 /nfs/dbraw/zinc/85/85/32/569858532.db2.gz SVWKKAVKEZEVOD-ZHZULCJRSA-N 0 2 471.425 3.789 40 10 JHCBLN COC(=O)c1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(c4ccccc4OC)C3=O)c2C)cc1 ZINC000408742142 570032536 /nfs/dbraw/zinc/03/25/36/570032536.db2.gz NIWQMUNCRGVJHF-ZHZULCJRSA-N 0 2 473.485 3.556 40 10 JHCBLN O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(-c2cc([N+](=O)[O-])ccc2O)o1 ZINC000408776411 570040325 /nfs/dbraw/zinc/04/03/25/570040325.db2.gz OFPSCEFKWRTQLG-MHWRWJLKSA-N 0 2 453.794 3.880 40 10 JHCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc(Br)c1OC ZINC000408801267 570045600 /nfs/dbraw/zinc/04/56/00/570045600.db2.gz UNQPTRIULRWZCS-YRNVUSSQSA-N 0 2 465.687 3.786 40 10 JHCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)ccc1OCc1ccc(F)cc1 ZINC000408800924 570045542 /nfs/dbraw/zinc/04/55/42/570045542.db2.gz SABKSJUGSDYBKA-UDWIEESQSA-N 0 2 462.433 3.785 40 10 JHCBLN COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)c(OCc2cccc([N+](=O)[O-])c2)c1 ZINC000408803772 570046753 /nfs/dbraw/zinc/04/67/53/570046753.db2.gz AGWGFZWCYIBCGT-CIAFOILYSA-N 0 2 489.440 3.554 40 10 JHCBLN COc1cc(I)cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)c1 ZINC000408865036 570057937 /nfs/dbraw/zinc/05/79/37/570057937.db2.gz ASFJXDMUVMKRLS-CXUHLZMHSA-N 0 2 476.270 3.583 40 10 JHCBLN CCCOc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)c(O)c(OC)c3)C2=O)cc1 ZINC000408893584 570066407 /nfs/dbraw/zinc/06/64/07/570066407.db2.gz BFLZXLOUVOVEHU-DHDCSXOGSA-N 0 2 475.295 3.619 40 10 JHCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000408901647 570068771 /nfs/dbraw/zinc/06/87/71/570068771.db2.gz ZKAVPKBRONPSLI-WOJGMQOQSA-N 0 2 474.429 3.766 40 10 JHCBLN O=C(COc1ccccc1/C=C1\C(=O)NC(=O)N(c2cccc(F)c2)C1=O)Nc1ccc(F)cc1 ZINC000408912199 570073408 /nfs/dbraw/zinc/07/34/08/570073408.db2.gz PYRKVDUTZKZCQV-UDWIEESQSA-N 0 2 477.423 3.649 40 10 JHCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Cl)c1OCC ZINC000408955160 570084725 /nfs/dbraw/zinc/08/47/25/570084725.db2.gz SZQYJBAORQYECO-VGOFMYFVSA-N 0 2 458.854 3.533 40 10 JHCBLN Cc1ccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc5c(c4)OCO5)C3=O)cc2)cc1 ZINC000408955192 570084839 /nfs/dbraw/zinc/08/48/39/570084839.db2.gz TYGYHMUITFKGBH-CIAFOILYSA-N 0 2 456.454 3.969 40 10 JHCBLN CCc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OC)c(I)c3)C2=O)cc1 ZINC000408984233 570091762 /nfs/dbraw/zinc/09/17/62/570091762.db2.gz IJRNYROAHIGMFC-GDNBJRDFSA-N 0 2 476.270 3.529 40 10 JHCBLN CC(C)OC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)cc1 ZINC000409186761 570160721 /nfs/dbraw/zinc/16/07/21/570160721.db2.gz HOOIASAFNBCYPS-XNTDXEJSSA-N 0 2 477.300 3.990 40 10 JHCBLN CCCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(Br)cc3)C2=O)cc1OC ZINC000409201308 570165405 /nfs/dbraw/zinc/16/54/05/570165405.db2.gz LKANPMYTTPNJEW-LFIBNONCSA-N 0 2 459.296 3.913 40 10 JHCBLN CCOc1ccccc1N1C(=O)NC(=O)C(=Cc2cc(C)n(-c3ccc(C(=O)OC)cc3)c2C)C1=O ZINC000409238422 570180724 /nfs/dbraw/zinc/18/07/24/570180724.db2.gz ZTVASGHKZFXRPI-RCCKNPSSSA-N 0 2 487.512 3.946 40 10 JHCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)cc(Br)c1OC(C)C ZINC000409241557 570182124 /nfs/dbraw/zinc/18/21/24/570182124.db2.gz YIFUISOFDMRCOM-OVCLIPMQSA-N 0 2 474.311 3.696 40 10 JHCBLN Cc1ccc(NC(=O)COc2cccc(/C=C3/C(=O)NC(=O)N(c4ccccc4)C3=O)c2)c(C)c1 ZINC000409248401 570185044 /nfs/dbraw/zinc/18/50/44/570185044.db2.gz GEDYZYJRWIAAIJ-JCMHNJIXSA-N 0 2 469.497 3.987 40 10 JHCBLN COc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1cc(C)ccc1C ZINC000409260501 570187552 /nfs/dbraw/zinc/18/75/52/570187552.db2.gz REGONUPCMHJIIL-STZFKDTASA-N 0 2 499.523 3.996 40 10 JHCBLN COc1cccc(N2C(=O)NC(=O)C(=Cc3ccc(OC(=O)C=Cc4ccccc4)c(OC)c3)C2=O)c1 ZINC000408530329 570187650 /nfs/dbraw/zinc/18/76/50/570187650.db2.gz FAIFAUNJDFYNAA-ISXBQHCWSA-N 0 2 498.491 3.989 40 10 JHCBLN CCOC(=O)c1ccc(NC=C2C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1 ZINC000408532160 570188398 /nfs/dbraw/zinc/18/83/98/570188398.db2.gz MAWUNUMLFBJZTL-LFIBNONCSA-N 0 2 472.295 3.513 40 10 JHCBLN Cc1cc([N+](=O)[O-])ccc1NC=C1C(=O)NC(=O)N(c2ccc(Br)c(C)c2C)C1=O ZINC000408532104 570188396 /nfs/dbraw/zinc/18/83/96/570188396.db2.gz LYVLOGDZCPXRAD-NTEUORMPSA-N 0 2 473.283 3.861 40 10 JHCBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3OCC(=O)Nc3ccccc3C)C2=O)cc1 ZINC000409267837 570188727 /nfs/dbraw/zinc/18/87/27/570188727.db2.gz XYHLXJUBQPPTPL-RCCKNPSSSA-N 0 2 485.496 3.688 40 10 JHCBLN Cc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)NC(=O)N(c4ccc(O)cc4)C3=O)cc2)cc1C ZINC000409271130 570189283 /nfs/dbraw/zinc/18/92/83/570189283.db2.gz JZDWZYNLNQVKSF-UCQKPKSFSA-N 0 2 485.496 3.693 40 10 JHCBLN Cc1ccc2[nH]c(=NC=C3C(=O)NC(=O)N(c4ccc(Br)c(C)c4C)C3=O)sc2c1 ZINC000408534994 570189779 /nfs/dbraw/zinc/18/97/79/570189779.db2.gz RZXXKUFQQYTVNM-UKTHLTGXSA-N 0 2 485.363 4.563 40 10 JHCBLN O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccccc1I ZINC000408550488 570195010 /nfs/dbraw/zinc/19/50/10/570195010.db2.gz HGETYKZWULQNFG-MDWZMJQESA-N 0 2 452.635 3.611 40 10 JHCBLN O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(OCc2ccc3c(c2)OCO3)cc1 ZINC000408851631 195490997 /nfs/dbraw/zinc/49/09/97/195490997.db2.gz DTIZNGIGBYXCBO-RGVLZGJSSA-N 0 2 460.417 3.800 40 10 JHCBLN COC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)c2C)cc1 ZINC000006177787 554515281 /nfs/dbraw/zinc/51/52/81/554515281.db2.gz OBQCJLUGLIAALN-FYJGNVAPSA-N 0 2 461.449 3.686 40 10 JHCBLN CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cc(OC)c(OC)cc3Br)C2=O)cc1 ZINC000006508293 554548210 /nfs/dbraw/zinc/54/82/10/554548210.db2.gz SIPHTUPAOCWGRF-DHDCSXOGSA-N 0 2 475.295 3.531 40 10 JHCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)cc(Br)c1OC ZINC000014133052 555700632 /nfs/dbraw/zinc/70/06/32/555700632.db2.gz SRHIEODAGQGICU-NTEUORMPSA-N 0 2 459.296 3.831 40 10 JHCBLN O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000033498130 569626929 /nfs/dbraw/zinc/62/69/29/569626929.db2.gz MLEHGCIJNJLJAZ-MOSHPQCFSA-N 0 2 460.402 3.543 40 10 JHCBLN COc1cc(C=C2C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc(I)c1O ZINC000034222861 569639864 /nfs/dbraw/zinc/63/98/64/569639864.db2.gz LJSHBLLBEUVZAB-QPEQYQDCSA-N 0 2 478.242 3.821 40 10 JHCBLN O=C(Nc1ccccc1NC=C1C(=O)NC(=O)N(c2cccc(C(F)(F)F)c2)C1=O)C(F)(F)F ZINC000100954425 569777895 /nfs/dbraw/zinc/77/78/95/569777895.db2.gz YXDNBNNGVIEPPG-XFXZXTDPSA-N 0 2 486.328 3.785 40 10 JHCBLN CC(=O)[C@H](N=Nc1ccc(S(=O)(=O)Nc2nncs2)cc1)C(=O)Nc1ccc(Cl)cc1 ZINC000104124075 569841627 /nfs/dbraw/zinc/84/16/27/569841627.db2.gz YKCSTRUIMLEQPE-LSJZCYCUSA-N 0 2 478.943 3.672 40 10 JHCBLN COC(=O)[C@@H](C)Oc1c(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Br ZINC000107914374 569857881 /nfs/dbraw/zinc/85/78/81/569857881.db2.gz ISONYSUSPVJLEU-ZEVOCZHWSA-N 0 2 479.714 3.504 40 10 JHCBLN O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000408604525 569970330 /nfs/dbraw/zinc/97/03/30/569970330.db2.gz VBADGEPWSWPNIQ-YBEGLDIGSA-N 0 2 453.794 3.880 40 10 JHCBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(Sc4nc5ccccc5[nH]4)o3)C2=O)cc1 ZINC000408775812 570040211 /nfs/dbraw/zinc/04/02/11/570040211.db2.gz UZGRNVFBOKIRRW-FOWTUZBSSA-N 0 2 460.471 3.982 40 10 JHCBLN CCOc1cc(Br)c(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1OC ZINC000408776380 570040361 /nfs/dbraw/zinc/04/03/61/570040361.db2.gz NZEMYFYYMHMBGJ-OQLLNIDSSA-N 0 2 459.296 3.831 40 10 JHCBLN CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1OCC ZINC000408798516 570044758 /nfs/dbraw/zinc/04/47/58/570044758.db2.gz FUAFYKMSEWNAFE-LFIBNONCSA-N 0 2 459.296 3.913 40 10 JHCBLN CCCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc1OC ZINC000408805707 570047342 /nfs/dbraw/zinc/04/73/42/570047342.db2.gz CCZNCRKTYYPKKX-MHWRWJLKSA-N 0 2 489.322 3.922 40 10 JHCBLN O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1 ZINC000408867883 570058587 /nfs/dbraw/zinc/05/85/87/570058587.db2.gz MILMAOQNCPAOIB-UYRXBGFRSA-N 0 2 461.405 3.979 40 10 JHCBLN CCOc1cc(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c1 ZINC000408885061 570064142 /nfs/dbraw/zinc/06/41/42/570064142.db2.gz WXZWRYLZBLZNHK-LICLKQGHSA-N 0 2 476.270 3.665 40 10 JHCBLN COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)c(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000408885418 570064399 /nfs/dbraw/zinc/06/43/99/570064399.db2.gz ZOAOTRHBDGOXQU-UNOMPAQXSA-N 0 2 491.431 3.988 40 10 JHCBLN COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)c(OCc2cccc(F)c2)c1 ZINC000408890802 570065808 /nfs/dbraw/zinc/06/58/08/570065808.db2.gz ZLQVQVCQIABXTO-SRZZPIQSSA-N 0 2 491.431 3.988 40 10 JHCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc(Br)c1OC ZINC000408914925 570074840 /nfs/dbraw/zinc/07/48/40/570074840.db2.gz RSQZYYLQEGLCBS-VGOFMYFVSA-N 0 2 463.259 3.662 40 10 JHCBLN O=C1NC(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000408935630 570081306 /nfs/dbraw/zinc/08/13/06/570081306.db2.gz DGKQJJQBZNZCGA-FYJGNVAPSA-N 0 2 488.412 3.748 40 10 JHCBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3cccn3-c3ccc(Br)cc3)C2=O)c(OC)c1 ZINC000408939991 570082419 /nfs/dbraw/zinc/08/24/19/570082419.db2.gz JBLQYTFEBINNMO-LDADJPATSA-N 0 2 496.317 3.923 40 10 JHCBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3cccn3-c3ccc(Cl)cc3)C2=O)c(OC)c1 ZINC000408947478 570083691 /nfs/dbraw/zinc/08/36/91/570083691.db2.gz QDCSDEPCSRLDDL-LDADJPATSA-N 0 2 451.866 3.814 40 10 JHCBLN CCOc1ccc(N2C(=O)NC(=O)C(=CNc3c(C)nn(Cc4ccccc4)c3C)C2=O)cc1 ZINC000408999204 570096071 /nfs/dbraw/zinc/09/60/71/570096071.db2.gz SZRXAVXJGUDRNW-KGENOOAVSA-N 0 2 459.506 3.526 40 10 JHCBLN Cc1ccccc1NC(=O)COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)cc1 ZINC000409005216 570097720 /nfs/dbraw/zinc/09/77/20/570097720.db2.gz SIQFWSZQPRSUGR-QNGOZBTKSA-N 0 2 455.470 3.679 40 10 JHCBLN CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC(=O)Nc4ccccc4)cc3)C2=O)cc1 ZINC000409039087 570107092 /nfs/dbraw/zinc/10/70/92/570107092.db2.gz BJXOSMJOLXGPOO-XQNSMLJCSA-N 0 2 485.496 3.769 40 10 JHCBLN CCCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OC)cc3OC)C2=O)cc1OCC ZINC000409200744 570165166 /nfs/dbraw/zinc/16/51/66/570165166.db2.gz IVDILAAZOHVOPB-LDADJPATSA-N 0 2 454.479 3.558 40 10 JHCBLN Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1NC(=O)c1ccccc1 ZINC000409219114 570173828 /nfs/dbraw/zinc/17/38/28/570173828.db2.gz NJCGZMDHHSZCBH-DEDYPNTBSA-N 0 2 462.893 3.809 40 10 JHCBLN CCc1cc(Br)ccc1N1C(=O)NC(=O)C(=CNc2cc(Cl)ccc2O)C1=O ZINC000408526578 570186089 /nfs/dbraw/zinc/18/60/89/570186089.db2.gz COMYDWKNNDEHOV-UKTHLTGXSA-N 0 2 464.703 3.949 40 10 JHCBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3OCC(=O)Nc3cccc(C)c3C)C2=O)cc1 ZINC000409265353 570188333 /nfs/dbraw/zinc/18/83/33/570188333.db2.gz HSURUJUUSHRXEL-PXLXIMEGSA-N 0 2 499.523 3.996 40 10 JHCBLN Cc1cc(C)c(N2C(=O)NC(=O)C(=CNc3ccccc3I)C2=O)c(C)c1 ZINC000408536923 570190644 /nfs/dbraw/zinc/19/06/44/570190644.db2.gz YFTSUSZEODMZHI-GXDHUFHOSA-N 0 2 475.286 3.795 40 10 JHCBLN CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Br)c1O ZINC000059104074 195387705 /nfs/dbraw/zinc/38/77/05/195387705.db2.gz GUVHITIWPOABJJ-LFYBBSHMSA-N 0 2 475.251 3.789 40 10 JHCBLN COc1cc(C=C2C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Br)c1O ZINC000016194990 521959163 /nfs/dbraw/zinc/95/91/63/521959163.db2.gz VPYLJUXAJOKZAV-XGICHPGQSA-N 0 2 462.212 3.578 40 10 JHCBLN COc1cc(C=C2C(=O)NC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)cc([N+](=O)[O-])c1O ZINC000016195088 521960974 /nfs/dbraw/zinc/96/09/74/521960974.db2.gz MLXOMRPNSXYSNT-XGICHPGQSA-N 0 2 451.313 3.835 40 10 JHCBLN Cc1cc(Br)c(N2C(=O)NC(=O)C(=Cc3ccc(N4CCOCC4)cc3)C2=O)cc1C ZINC000016267934 526152828 /nfs/dbraw/zinc/15/28/28/526152828.db2.gz CONYCWGIAAZGJO-AQTBWJFISA-N 0 2 484.350 3.569 40 10 JHCBLN Cc1[nH]n(-c2ccccc2)c(=O)c1C=C1C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O ZINC000015013562 555855539 /nfs/dbraw/zinc/85/55/39/555855539.db2.gz HHSLJRTTWVZYDB-FEEIMYBTSA-N 0 2 467.279 3.838 40 10 JHCBLN O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cccn1-c1cccc(C(F)(F)F)c1 ZINC000015231338 555889411 /nfs/dbraw/zinc/88/94/11/555889411.db2.gz RSWKTEOUJSUCCJ-LICLKQGHSA-N 0 2 469.375 3.891 40 10 JHCBLN CC(C)OC(=O)COc1c(Br)cc(Cl)cc1/C=C1/C(=O)NN(c2ccccc2)C1=O ZINC000034765807 569658391 /nfs/dbraw/zinc/65/83/91/569658391.db2.gz SLKZRTQMZRGAAT-SXGWCWSVSA-N 0 2 493.741 3.894 40 10 JHCBLN O=C(Oc1c(/C=C2\C(=O)NN(c3ccccc3)C2=O)cccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000035128489 569675342 /nfs/dbraw/zinc/67/53/42/569675342.db2.gz DRTDSGDMGCGMPV-AQTBWJFISA-N 0 2 463.833 3.929 40 10 JHCBLN CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)c(Cl)c1OC ZINC000035152532 569676314 /nfs/dbraw/zinc/67/63/14/569676314.db2.gz UBCNCRKAHHLFBJ-LCYFTJDESA-N 0 2 451.704 3.971 40 10 JHCBLN CC(=O)[C@@H](N=Nc1ccc(S(=O)(=O)Nc2nncs2)cc1)C(=O)Nc1ccc(Cl)cc1 ZINC000104124080 569841585 /nfs/dbraw/zinc/84/15/85/569841585.db2.gz YKCSTRUIMLEQPE-KJXVGZKYSA-N 0 2 478.943 3.672 40 10 JHCBLN CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(OC)c(Cl)cc3OC)C2=O)cc1OCC ZINC000408786163 570043160 /nfs/dbraw/zinc/04/31/60/570043160.db2.gz FZOMTUPDQHGIDT-NTEUORMPSA-N 0 2 474.897 3.821 40 10 JHCBLN CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc1Br ZINC000408794699 570044402 /nfs/dbraw/zinc/04/44/02/570044402.db2.gz AXUBIPAYXAOSBE-LFIBNONCSA-N 0 2 459.296 3.913 40 10 JHCBLN CCOC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)ccc3OCC)C2=O)cc1 ZINC000408803655 570046623 /nfs/dbraw/zinc/04/66/23/570046623.db2.gz RQNKUPFTMCYXOH-SFQUDFHCSA-N 0 2 487.306 3.691 40 10 JHCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408805758 570047320 /nfs/dbraw/zinc/04/73/20/570047320.db2.gz LIOMSYYKEGCTQQ-UDWIEESQSA-N 0 2 489.440 3.554 40 10 JHCBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OC)cc3OCc3ccccc3)C2=O)cc1 ZINC000408811497 570049302 /nfs/dbraw/zinc/04/93/02/570049302.db2.gz VUIWSKBNOLGNJO-HYARGMPZSA-N 0 2 458.470 3.949 40 10 JHCBLN Cc1cccc(N2C(=O)NC(=O)C(=Cc3cc(Br)c(N4CCCC4)o3)C2=O)c1C ZINC000408858930 570057020 /nfs/dbraw/zinc/05/70/20/570057020.db2.gz UKYLPWRIVNZONL-XNTDXEJSSA-N 0 2 458.312 3.926 40 10 JHCBLN COc1cc(I)cc(/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)c1 ZINC000408872601 570060100 /nfs/dbraw/zinc/06/01/00/570060100.db2.gz HASXEZNSRATEHK-CXUHLZMHSA-N 0 2 476.270 3.583 40 10 JHCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3Cc3cccc(F)c3)C2=O)cc1 ZINC000408879254 570062414 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COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3OCc3ccccc3F)C2=O)cc1 ZINC000016194198 522077704 /nfs/dbraw/zinc/07/77/04/522077704.db2.gz SAYHKQVKMWYELS-ZHZULCJRSA-N 0 2 474.444 3.858 40 10 JHCBLN Cc1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc(S(=O)(=O)c2ccc(Cl)cc2)c1O ZINC000026786804 525291128 /nfs/dbraw/zinc/29/11/28/525291128.db2.gz KKLVXGMZPNSLEB-UHFFFAOYSA-N 0 2 482.923 3.896 40 10 JHCBLN Cc1nnc(NS(=O)(=O)c2ccc(N=N[C@@H]3C(C)=NN(c4ccccc4)C3=O)cc2)s1 ZINC000043365984 526372967 /nfs/dbraw/zinc/37/29/67/526372967.db2.gz YELXRFXLPAPXNK-BFQBXFRASA-N 0 2 455.525 3.522 40 10 JHCBLN O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(I)cc1 ZINC000059426696 569603677 /nfs/dbraw/zinc/60/36/77/569603677.db2.gz OCYMZGYMORLRGX-NTEUORMPSA-N 0 2 452.635 3.611 40 10 JHCBLN O=C(Oc1ccc(Cl)cc1/C=C1/C(=O)NN(c2ccccc2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000035152547 569676231 /nfs/dbraw/zinc/67/62/31/569676231.db2.gz LLADOEJSWGDCNS-UYRXBGFRSA-N 0 2 463.833 3.929 40 10 JHCBLN COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc([N+](=O)[O-])c1OCc1ccccc1C#N ZINC000107888449 569857816 /nfs/dbraw/zinc/85/78/16/569857816.db2.gz KHLBNJZSZRLKAW-JAIQZWGSSA-N 0 2 470.441 3.515 40 10 JHCBLN COC(=O)c1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(c4cccc(OC)c4)C3=O)c2C)cc1 ZINC000408740296 570031911 /nfs/dbraw/zinc/03/19/11/570031911.db2.gz AYCMVSREBMNXFP-XKZIYDEJSA-N 0 2 473.485 3.556 40 10 JHCBLN COc1cc(N2C(=O)NC(=O)C(=Cc3c(O)ccc4ccccc43)C2=O)c(OC)cc1Cl ZINC000408777492 570040533 /nfs/dbraw/zinc/04/05/33/570040533.db2.gz AOWZOWQVMBCUJC-OQLLNIDSSA-N 0 2 452.850 3.882 40 10 JHCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3OCc3ccc(F)cc3)C2=O)cc1 ZINC000408803175 570046521 /nfs/dbraw/zinc/04/65/21/570046521.db2.gz MACLDCSCPLBQJK-KGENOOAVSA-N 0 2 474.444 3.858 40 10 JHCBLN O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1ccccc1OCc1cccc([N+](=O)[O-])c1 ZINC000408804649 570046964 /nfs/dbraw/zinc/04/69/64/570046964.db2.gz ZGDJUOUQJBGBIT-UDWIEESQSA-N 0 2 488.412 3.748 40 10 JHCBLN CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OCC)cc3)C2=O)cc1OCC ZINC000408807225 570048068 /nfs/dbraw/zinc/04/80/68/570048068.db2.gz GOGLVMPMXBNVLC-XMHGGMMESA-N 0 2 466.490 3.717 40 10 JHCBLN CCOC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OC(C)C)c(OCC)c3)C2=O)cc1 ZINC000408813674 570049762 /nfs/dbraw/zinc/04/97/62/570049762.db2.gz UXGCAHYFISRQHT-CPNJWEJPSA-N 0 2 466.490 3.716 40 10 JHCBLN CCOc1cccc(N2C(=O)NC(=O)C(=Cc3cc(Br)c(N4CCCC4)o3)C2=O)c1 ZINC000408814684 570050140 /nfs/dbraw/zinc/05/01/40/570050140.db2.gz GJFWEHNMDINPMF-LFIBNONCSA-N 0 2 474.311 3.707 40 10 JHCBLN CCOc1cc(I)cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)c1 ZINC000408876928 570061510 /nfs/dbraw/zinc/06/15/10/570061510.db2.gz RSKFOBVNZKUDAA-MHWRWJLKSA-N 0 2 476.270 3.665 40 10 JHCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Br)c1O ZINC000408890460 570065604 /nfs/dbraw/zinc/06/56/04/570065604.db2.gz UDBONOMLXSTNSH-LFYBBSHMSA-N 0 2 465.687 3.792 40 10 JHCBLN CCOc1cc(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c1O ZINC000408897911 570067612 /nfs/dbraw/zinc/06/76/12/570067612.db2.gz JOHNYPHHWMJGQR-RIYZIHGNSA-N 0 2 465.687 3.873 40 10 JHCBLN COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c1OCC(=O)Nc1ccccc1 ZINC000408900116 570068258 /nfs/dbraw/zinc/06/82/58/570068258.db2.gz RPMCNEWMPVTODL-RCCKNPSSSA-N 0 2 485.496 3.688 40 10 JHCBLN O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccccc1Br ZINC000408901770 570068790 /nfs/dbraw/zinc/06/87/90/570068790.db2.gz ZWMHUPBXVYXHBB-UKTHLTGXSA-N 0 2 450.086 3.878 40 10 JHCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)ccc1OCC(=O)Nc1ccccc1 ZINC000408901726 570068816 /nfs/dbraw/zinc/06/88/16/570068816.db2.gz AZSZXZBCYZPVHV-DEDYPNTBSA-N 0 2 489.459 3.518 40 10 JHCBLN O=C(COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1)Nc1ccccc1 ZINC000408903357 570069788 /nfs/dbraw/zinc/06/97/88/570069788.db2.gz RMVLFKWAFWQYFY-KGENOOAVSA-N 0 2 459.433 3.510 40 10 JHCBLN CCc1ccc(N2C(=O)NC(=O)C(=Cc3cccc(OS(=O)(=O)c4ccc(C)cc4)c3)C2=O)cc1 ZINC000408936535 570081500 /nfs/dbraw/zinc/08/15/00/570081500.db2.gz KWOQKUQBEZIYQW-KQWNVCNZSA-N 0 2 490.537 3.992 40 10 JHCBLN CCOC(=O)Cn1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)c2ccccc21 ZINC000408983907 570091609 /nfs/dbraw/zinc/09/16/09/570091609.db2.gz OEZLOIJRDVBLSJ-ZDLGFXPLSA-N 0 2 465.893 3.833 40 10 JHCBLN COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1I ZINC000408984201 570091737 /nfs/dbraw/zinc/09/17/37/570091737.db2.gz IGKSZNYHGWRTOR-QPEQYQDCSA-N 0 2 496.688 3.928 40 10 JHCBLN CCc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)cc(OC)c3OC)C2=O)cc1 ZINC000408985745 570092249 /nfs/dbraw/zinc/09/22/49/570092249.db2.gz YHIFPXLREZPAHY-YBEGLDIGSA-N 0 2 459.296 3.695 40 10 JHCBLN CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc1Cl ZINC000409047205 570109079 /nfs/dbraw/zinc/10/90/79/570109079.db2.gz NSGKCTWBWWRLFP-RIYZIHGNSA-N 0 2 463.273 3.845 40 10 JHCBLN Cc1ccc(NC(=O)Cn2cc(/C=C3\C(=O)NC(=O)N(c4cccnc4)C3=O)c3ccccc32)cc1 ZINC000409229238 570177104 /nfs/dbraw/zinc/17/71/04/570177104.db2.gz LXWKZJYOSHOGQF-LPYMAVHISA-N 0 2 479.496 3.650 40 10 JHCBLN Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)c(C)n1-c1ccccn1 ZINC000409234308 570179063 /nfs/dbraw/zinc/17/90/63/570179063.db2.gz ZFUPBOBQBKKTDE-WOJGMQOQSA-N 0 2 465.307 3.918 40 10 JHCBLN Cc1cccc(NC(=O)Cn2cc(/C=C3\C(=O)NC(=O)N(c4cccnc4)C3=O)c3ccccc32)c1 ZINC000409238712 570180899 /nfs/dbraw/zinc/18/08/99/570180899.db2.gz NMISKKSBUPTFDF-LPYMAVHISA-N 0 2 479.496 3.650 40 10 JHCBLN COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc1I ZINC000409245623 570183991 /nfs/dbraw/zinc/18/39/91/570183991.db2.gz WRWMLICPSDOSGV-XYOKQWHBSA-N 0 2 496.688 3.928 40 10 JHCBLN Cc1cc(C)c(N2C(=O)NC(=O)C(=CNc3cc4[nH]c(=O)[nH]c4cc3N3CCCCC3)C2=O)c(C)c1 ZINC000408529729 570187324 /nfs/dbraw/zinc/18/73/24/570187324.db2.gz HTHWBDFWLSWHSJ-GHRIWEEISA-N 0 2 488.548 3.763 40 10 JHCBLN CCC(=O)Oc1ccc(Br)cc1/C=C1/C(=O)NC(=O)N(c2cccc(C)c2)C1=O ZINC000408532024 570188365 /nfs/dbraw/zinc/18/83/65/570188365.db2.gz HXCBZAJPXTWNMZ-WJDWOHSUSA-N 0 2 457.280 3.739 40 10 JHCBLN CCc1cc(Br)ccc1N1C(=O)NC(=O)C(=CNc2nnc(-c3ccccc3)s2)C1=O ZINC000408535563 570190072 /nfs/dbraw/zinc/19/00/72/570190072.db2.gz TXVXQVPCNZRHCL-RVDMUPIBSA-N 0 2 498.362 4.109 40 10 JHCBLN Cc1ccc(N2C(=O)NC(=O)C(=CNc3c(C)cc(Br)cc3[N+](=O)[O-])C2=O)c(C)c1 ZINC000408536422 570190461 /nfs/dbraw/zinc/19/04/61/570190461.db2.gz WLTVMFHIRHAVPB-NTEUORMPSA-N 0 2 473.283 3.861 40 10 JHCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)ccc1OC(=O)c1ccco1 ZINC000408537491 570190792 /nfs/dbraw/zinc/19/07/92/570190792.db2.gz VRPJGBCXFWCHBY-GHRIWEEISA-N 0 2 460.442 3.872 40 10 JHCBLN COc1cc(OC)c([N+](=O)[O-])cc1C=C1C(=O)NC(=O)N(c2cccc(Br)c2)C1=O ZINC000059198300 195394883 /nfs/dbraw/zinc/39/48/83/195394883.db2.gz SBZIRSQXNQPXOC-MLPAPPSSSA-N 0 2 476.239 3.881 40 10 JHCBLN COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c(Br)cc1O ZINC000009259844 521945862 /nfs/dbraw/zinc/94/58/62/521945862.db2.gz OMMDNROAKSBPSE-SDQBBNPISA-N 0 2 496.111 3.592 40 10 JHCBLN CC(=O)[C@H](N=Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)C(=O)Nc1ccccc1C ZINC000104123664 569841241 /nfs/dbraw/zinc/84/12/41/569841241.db2.gz SPKMDSSTYIISGD-FTGFMQHASA-N 0 2 457.537 3.932 40 10 JHCBLN CCOc1ccc(NC(=O)[C@@H](N=Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)C(C)=O)cc1 ZINC000104124046 569841373 /nfs/dbraw/zinc/84/13/73/569841373.db2.gz MWLJVYLTEHAIQB-KQEYZTLISA-N 0 2 481.534 3.961 40 10 JHCBLN COc1c(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Br ZINC000107771163 569857383 /nfs/dbraw/zinc/85/73/83/569857383.db2.gz VSUNEALRXFIKBV-GHXNOFRVSA-N 0 2 452.102 3.682 40 10 JHCBLN CCOC(=O)COc1c(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Br ZINC000108036782 569858371 /nfs/dbraw/zinc/85/83/71/569858371.db2.gz TZBXXSVATSHILQ-ZSOIEALJSA-N 0 2 479.714 3.506 40 10 JHCBLN COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc([N+](=O)[O-])c1OCc1ccc(C)cc1 ZINC000108120015 569858734 /nfs/dbraw/zinc/85/87/34/569858734.db2.gz PYNSBCGCPHJWQW-NDENLUEZSA-N 0 2 459.458 3.952 40 10 JHCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)C2=O)cc1 ZINC000408602414 569969536 /nfs/dbraw/zinc/96/95/36/569969536.db2.gz NIWILTBRTSNERW-BOPFTXTBSA-N 0 2 495.831 3.961 40 10 JHCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OCC(=O)OC ZINC000408773395 570039407 /nfs/dbraw/zinc/03/94/07/570039407.db2.gz KLIZSQGVJHINJX-OVCLIPMQSA-N 0 2 493.299 3.610 40 10 JHCBLN O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1 ZINC000408799979 570045177 /nfs/dbraw/zinc/04/51/77/570045177.db2.gz MHHVZUSPQMGLNL-FYJGNVAPSA-N 0 2 459.414 3.546 40 10 JHCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408848639 570055065 /nfs/dbraw/zinc/05/50/65/570055065.db2.gz RMLQRIHEUBVYTL-UDWIEESQSA-N 0 2 491.431 3.988 40 10 JHCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1Cc1cccc(F)c1 ZINC000408881583 570062951 /nfs/dbraw/zinc/06/29/51/570062951.db2.gz NMQNYASLTJVMOK-CIAFOILYSA-N 0 2 475.432 4.000 40 10 JHCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc(Br)c1O ZINC000408888897 570065201 /nfs/dbraw/zinc/06/52/01/570065201.db2.gz CNJNQXULPDLIPE-AWNIVKPZSA-N 0 2 465.687 3.873 40 10 JHCBLN O=C(COc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(F)cc2)C1=O)Nc1ccccc1 ZINC000408903356 570069807 /nfs/dbraw/zinc/06/98/07/570069807.db2.gz RLIBVQPLLNOYIJ-XSFVSMFZSA-N 0 2 459.433 3.510 40 10 JHCBLN CCOC(=O)COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc1Cl ZINC000408913651 570074078 /nfs/dbraw/zinc/07/40/78/570074078.db2.gz MRGYNRKSILJBPM-MKMNVTDBSA-N 0 2 481.263 3.741 40 10 JHCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)c(Br)cc1OC ZINC000408915473 570075234 /nfs/dbraw/zinc/07/52/34/570075234.db2.gz VVSDFBGSNDSASI-VGOFMYFVSA-N 0 2 463.259 3.662 40 10 JHCBLN O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000408946455 570083548 /nfs/dbraw/zinc/08/35/48/570083548.db2.gz AGVLLWXNDNOJNN-OQLLNIDSSA-N 0 2 481.804 3.903 40 10 JHCBLN CCOc1c(Cl)cc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(C(=O)OC)cc2)C1=O ZINC000409047069 570108990 /nfs/dbraw/zinc/10/89/90/570108990.db2.gz MOSHKTVGVQHOQV-OQLLNIDSSA-N 0 2 463.273 3.845 40 10 JHCBLN O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(OS(=O)(=O)c2ccccc2)cc1 ZINC000409069922 570117874 /nfs/dbraw/zinc/11/78/74/570117874.db2.gz JXMZGGLRTMSTOE-XSFVSMFZSA-N 0 2 482.901 3.774 40 10 JHCBLN O=C1NC(=O)N(c2ccccc2Cl)C(=O)/C1=C\c1cccc(OS(=O)(=O)c2ccccc2)c1 ZINC000409071870 570118673 /nfs/dbraw/zinc/11/86/73/570118673.db2.gz QGDSDOIIPFVYOB-JXAWBTAJSA-N 0 2 482.901 3.774 40 10 JHCBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3cccc(OCC(=O)Nc4ccc(C)cc4)c3)C2=O)cc1 ZINC000409219940 570173931 /nfs/dbraw/zinc/17/39/31/570173931.db2.gz RXEZTCFRDHANIV-HAHDFKILSA-N 0 2 485.496 3.688 40 10 JHCBLN Cc1ccc(NC(=O)COc2ccccc2/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc1 ZINC000409226303 570176036 /nfs/dbraw/zinc/17/60/36/570176036.db2.gz USUVFHLQAZEGJT-RCCKNPSSSA-N 0 2 455.470 3.679 40 10 JHCBLN CCOc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc(-c3ccc(C(=O)OC)cc3)o2)C1=O ZINC000409246956 570184579 /nfs/dbraw/zinc/18/45/79/570184579.db2.gz LQICWFXYLJQEOH-NBVRZTHBSA-N 0 2 460.442 3.798 40 10 JHCBLN Cc1ccc(NC(=O)N/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3C)C2=O)c(C)c1 ZINC000408526426 570185989 /nfs/dbraw/zinc/18/59/89/570185989.db2.gz BHLXUJWCRMBALX-XNTDXEJSSA-N 0 2 485.338 3.971 40 10 JHCBLN CCN(CC)c1cc2[nH]c(=O)[nH]c2cc1NC=C1C(=O)NC(=O)N(c2cccc3ccccc32)C1=O ZINC000408530883 570187752 /nfs/dbraw/zinc/18/77/52/570187752.db2.gz MYVIBQOZTZSFPB-SAPNQHFASA-N 0 2 484.516 3.847 40 10 JHCBLN Cc1cc(NC=C2C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)c([N+](=O)[O-])cc1C ZINC000408533498 570189060 /nfs/dbraw/zinc/18/90/60/570189060.db2.gz SRIRXNIZPFBRGU-NTEUORMPSA-N 0 2 473.283 3.861 40 10 JHCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3OC)C2=O)ccc1OC(=O)c1ccccc1 ZINC000408534085 570189345 /nfs/dbraw/zinc/18/93/45/570189345.db2.gz LEINUCZSYHBENC-NBVRZTHBSA-N 0 2 472.453 3.589 40 10 JHCBLN CC[N@H+](CCCNc1cc2c(c(N)c1S(=O)(=O)[O-])C(=O)c1ccccc1C2=O)c1ccccc1 ZINC000004830832 521024186 /nfs/dbraw/zinc/02/41/86/521024186.db2.gz MLKZDEVVJIFGFR-UHFFFAOYSA-N 0 2 479.558 3.619 40 10 JHCBLN CC[N@@H+](CCCNc1cc2c(c(N)c1S(=O)(=O)[O-])C(=O)c1ccccc1C2=O)c1ccccc1 ZINC000004830832 521024195 /nfs/dbraw/zinc/02/41/95/521024195.db2.gz MLKZDEVVJIFGFR-UHFFFAOYSA-N 0 2 479.558 3.619 40 10 JHCBLN COc1cc([N+](=O)[O-])cc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c1O ZINC000016194938 522973319 /nfs/dbraw/zinc/97/33/19/522973319.db2.gz YSJGKBUGAOZUGL-QPEQYQDCSA-N 0 2 462.212 3.578 40 10 JHCBLN COc1ccc(N2N=C(C)C(=C(C)Nc3ccc(S(=O)(=O)Nc4nccc(C)n4)cc3)C2=O)cc1 ZINC000020286484 555755176 /nfs/dbraw/zinc/75/51/76/555755176.db2.gz LJDZPXRPFKGAQK-JWGURIENSA-N 0 2 492.561 3.703 40 10 JHCBLN COc1ccc(N2N=C(C)C(C(C)=Nc3ccc(S(=O)(=O)Nc4nccc(C)n4)cc3)C2=O)cc1 ZINC000020286484 555755177 /nfs/dbraw/zinc/75/51/77/555755177.db2.gz LJDZPXRPFKGAQK-JWGURIENSA-N 0 2 492.561 3.703 40 10 JHCBLN COc1ccc(-n2[nH]c(C)c(C(C)=Nc3ccc(S(=O)(=O)Nc4nccc(C)n4)cc3)c2=O)cc1 ZINC000020286484 555755178 /nfs/dbraw/zinc/75/51/78/555755178.db2.gz LJDZPXRPFKGAQK-JWGURIENSA-N 0 2 492.561 3.703 40 10 JHCBLN 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475.295 3.531 40 10 JHCBLN CC(C)Oc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000408802492 570046187 /nfs/dbraw/zinc/04/61/87/570046187.db2.gz YIDRCKOZRJAJPG-CXUHLZMHSA-N 0 2 474.267 3.811 40 10 JHCBLN CCOC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)c(OC(C)C)c(OC)c3)C2=O)cc1 ZINC000408804453 570046921 /nfs/dbraw/zinc/04/69/21/570046921.db2.gz GFXYIXBMRDQLAR-LICLKQGHSA-N 0 2 486.908 3.979 40 10 JHCBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)c(OC(C)C)c(OC)c3)C2=O)cc1 ZINC000408807394 570047937 /nfs/dbraw/zinc/04/79/37/570047937.db2.gz CQYHDEASRVHRRW-CXUHLZMHSA-N 0 2 489.322 3.920 40 10 JHCBLN O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000408811817 570049375 /nfs/dbraw/zinc/04/93/75/570049375.db2.gz OIKXIDCSNXYFHW-CIAFOILYSA-N 0 2 488.412 3.748 40 10 JHCBLN O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1ccccc1OCc1ccc(F)cc1 ZINC000408818286 570051181 /nfs/dbraw/zinc/05/11/81/570051181.db2.gz XJNNVOKBOQUCBN-UDWIEESQSA-N 0 2 461.405 3.979 40 10 JHCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(Cc4cccc(F)c4)c(OC)c3)C2=O)cc1 ZINC000408865815 570058035 /nfs/dbraw/zinc/05/80/35/570058035.db2.gz FVJBABRTFCRIHO-HYARGMPZSA-N 0 2 488.471 3.878 40 10 JHCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(Cc4ccccc4F)c(OC)c3)C2=O)cc1 ZINC000408872824 570060177 /nfs/dbraw/zinc/06/01/77/570060177.db2.gz JJHVICAXMWTMJI-FYJGNVAPSA-N 0 2 488.471 3.878 40 10 JHCBLN COc1cc(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)c1 ZINC000408875154 570060922 /nfs/dbraw/zinc/06/09/22/570060922.db2.gz GLMBPHIKHQTYSJ-RQZCQDPDSA-N 0 2 476.270 3.583 40 10 JHCBLN Cc1ccc(S(=O)(=O)Oc2ccccc2/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc1 ZINC000408879411 570062405 /nfs/dbraw/zinc/06/24/05/570062405.db2.gz GBVUKXMWIVFJMN-RCCKNPSSSA-N 0 2 476.510 3.738 40 10 JHCBLN COc1cc(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c1 ZINC000408880478 570062636 /nfs/dbraw/zinc/06/26/36/570062636.db2.gz JGCAZRMDRYUYGY-OVCLIPMQSA-N 0 2 482.661 3.620 40 10 JHCBLN O=C1NC(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1ccccc1OCc1ccc(F)cc1 ZINC000408939066 570082182 /nfs/dbraw/zinc/08/21/82/570082182.db2.gz LPHDHIHYDSWTLC-DEDYPNTBSA-N 0 2 461.405 3.979 40 10 JHCBLN CCCOc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000408945504 570083412 /nfs/dbraw/zinc/08/34/12/570083412.db2.gz WOAZXKCXSPJNBX-LFIBNONCSA-N 0 2 474.267 3.813 40 10 JHCBLN Cc1ccc(COc2ccccc2/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1 ZINC000408953890 570084576 /nfs/dbraw/zinc/08/45/76/570084576.db2.gz QITRPDWQFIRIHK-UDWIEESQSA-N 0 2 456.454 3.969 40 10 JHCBLN O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000409093376 570125602 /nfs/dbraw/zinc/12/56/02/570125602.db2.gz ZHWBCGZFNGTKNY-WOJGMQOQSA-N 0 2 490.384 3.667 40 10 JHCBLN Cc1cc(N2C(=O)NC(=O)C(=CNc3cc(C)c([N+](=O)[O-])cc3C)C2=O)ccc1Br ZINC000408526431 570186001 /nfs/dbraw/zinc/18/60/01/570186001.db2.gz BHSKUKIDXCPHGI-NTEUORMPSA-N 0 2 473.283 3.861 40 10 JHCBLN COc1cc([N+](=O)[O-])ccc1NC=C1C(=O)NC(=O)N(c2ccc(Br)c(C)c2C)C1=O ZINC000408527378 570186447 /nfs/dbraw/zinc/18/64/47/570186447.db2.gz DJUWILFOYUUJAJ-UKTHLTGXSA-N 0 2 489.282 3.562 40 10 JHCBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OC(=O)C=Cc4ccccc4)c(OC)c3)C2=O)cc1 ZINC000408533568 570189077 /nfs/dbraw/zinc/18/90/77/570189077.db2.gz KDZKZBOKMNYMFR-HSGJKIJMSA-N 0 2 498.491 3.989 40 10 JHCBLN CC(=O)Oc1ccc(Br)cc1/C=C1/C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000408538262 570191017 /nfs/dbraw/zinc/19/10/17/570191017.db2.gz ZRFKURAQJZXEBV-DHDCSXOGSA-N 0 2 463.671 3.694 40 10 JHCBLN COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)Nc1cccc(OC)c1OC ZINC000020287747 555756524 /nfs/dbraw/zinc/75/65/24/555756524.db2.gz BRZWTQKROILPHE-MOSHPQCFSA-N 0 2 466.519 3.965 40 10 JHCBLN COC(=O)Cc1[nH]n(-c2nc3ccccc3s2)c(=O)c1C(C)=Nc1cccc(OC)c1OC ZINC000020287747 555756528 /nfs/dbraw/zinc/75/65/28/555756528.db2.gz BRZWTQKROILPHE-MOSHPQCFSA-N 0 2 466.519 3.965 40 10 JHCBLN CCCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc4c(c3)C[C@H](C)O4)C2=O)cc1OCC ZINC000408710942 570025241 /nfs/dbraw/zinc/02/52/41/570025241.db2.gz ZDABUYDQRRGFGE-SJPXOZHESA-N 0 2 450.491 3.864 40 10 JHCBLN COC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccc(C)cc4)C3=O)c2C)c1 ZINC000408783255 570042374 /nfs/dbraw/zinc/04/23/74/570042374.db2.gz NEFZFFQCPYWFRI-HYARGMPZSA-N 0 2 457.486 3.856 40 10 JHCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000408797969 570044777 /nfs/dbraw/zinc/04/47/77/570044777.db2.gz HJWIXKHHKBRLTD-UDWIEESQSA-N 0 2 489.440 3.554 40 10 JHCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(Cl)c1OC ZINC000408802506 570046173 /nfs/dbraw/zinc/04/61/73/570046173.db2.gz FQUQJRHPNFADOW-NTUHNPAUSA-N 0 2 465.687 3.786 40 10 JHCBLN COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)c(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000408815393 570050326 /nfs/dbraw/zinc/05/03/26/570050326.db2.gz WNOLRRWOGUGLNH-CIAFOILYSA-N 0 2 489.440 3.554 40 10 JHCBLN CCOC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OC(C)C)c(Cl)c3)C2=O)cc1 ZINC000408818950 570051414 /nfs/dbraw/zinc/05/14/14/570051414.db2.gz ZCMPKFDLHBVRBV-GZTJUZNOSA-N 0 2 456.882 3.970 40 10 JHCBLN COc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(OC)c(Cl)cc3OC)C2=O)c(OC(C)C)c1 ZINC000408832011 570052810 /nfs/dbraw/zinc/05/28/10/570052810.db2.gz QUMLGAXGBNFBKM-OVCLIPMQSA-N 0 2 474.897 3.819 40 10 JHCBLN COc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1[N+](=O)[O-] ZINC000408849557 570055193 /nfs/dbraw/zinc/05/51/93/570055193.db2.gz XHTVPASUXOSAGE-VGOFMYFVSA-N 0 2 474.267 3.649 40 10 JHCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OC)cc3Cc3cccc(F)c3)C2=O)cc1 ZINC000408874458 570060777 /nfs/dbraw/zinc/06/07/77/570060777.db2.gz BXUDYQOBWGDCIO-HZHRSRAPSA-N 0 2 488.471 3.878 40 10 JHCBLN O=C1NC(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1cc(Br)c(Br)o1 ZINC000408952647 570084318 /nfs/dbraw/zinc/08/43/18/570084318.db2.gz MBPWSMFOKLJLCS-BJMVGYQFSA-N 0 2 458.037 3.610 40 10 JHCBLN Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1ccccn1 ZINC000408962703 570086493 /nfs/dbraw/zinc/08/64/93/570086493.db2.gz JLBAJYOBHSUWCZ-LDADJPATSA-N 0 2 465.307 3.918 40 10 JHCBLN CCc1ccc(N2C(=O)NC(=O)C(=Cc3cc(OC)c(OC(C)=O)cc3Br)C2=O)cc1 ZINC000408981915 570090954 /nfs/dbraw/zinc/09/09/54/570090954.db2.gz DQPWUUUEJKZPQA-SXGWCWSVSA-N 0 2 487.306 3.612 40 10 JHCBLN O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000409063736 570115528 /nfs/dbraw/zinc/11/55/28/570115528.db2.gz MKXLBZZAWMOBKE-XSFVSMFZSA-N 0 2 482.901 3.774 40 10 JHCBLN O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cccc(OS(=O)(=O)c2ccccc2)c1 ZINC000409075052 570119727 /nfs/dbraw/zinc/11/97/27/570119727.db2.gz XGOQCSKIYLHAMU-ZHZULCJRSA-N 0 2 482.901 3.774 40 10 JHCBLN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000409195442 570163297 /nfs/dbraw/zinc/16/32/97/570163297.db2.gz UNOUKGSFGSNWCD-HYARGMPZSA-N 0 2 488.569 3.690 40 10 JHCBLN CCOc1ccccc1N1C(=O)NC(=O)C(=Cc2cc(Br)c(OCC)c(OC)c2)C1=O ZINC000409221526 570174593 /nfs/dbraw/zinc/17/45/93/570174593.db2.gz ROBIEIBSHLMGMO-GXDHUFHOSA-N 0 2 489.322 3.922 40 10 JHCBLN Cc1ccc(NC(=O)COc2ccccc2/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1C ZINC000409254692 570186647 /nfs/dbraw/zinc/18/66/47/570186647.db2.gz IJXKXVSUWWALPG-HMAPJEAMSA-N 0 2 485.496 3.693 40 10 JHCBLN COc1ccc(C(=O)Oc2ccccc2/C=C2/C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc1 ZINC000408531622 570188026 /nfs/dbraw/zinc/18/80/26/570188026.db2.gz HEGPOZSSCUWIHS-QNGOZBTKSA-N 0 2 472.453 3.589 40 10 JHCBLN Cc1cc(N2C(=O)NC(=O)C(=CNc3cccc4nsnc43)C2=O)c(C)cc1Br ZINC000408535074 570189742 /nfs/dbraw/zinc/18/97/42/570189742.db2.gz XLVXSZDWLPIXJW-DHZHZOJOSA-N 0 2 472.324 3.649 40 10 JHCBLN CCc1cc(Br)ccc1N1C(=O)NC(=O)C(=CNNc2ccc(C)c(C)c2)C1=O ZINC000408536649 570190425 /nfs/dbraw/zinc/19/04/25/570190425.db2.gz WZSDMBOCWCCTIV-GZTJUZNOSA-N 0 2 457.328 3.712 40 10 JHCBLN O=C(Oc1ccccc1/C=C1/C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O)c1ccco1 ZINC000408537570 570190876 /nfs/dbraw/zinc/19/08/76/570190876.db2.gz WIFYMKYQRUUHOV-VBKFSLOCSA-N 0 2 481.258 3.928 40 10 JHCBLN