smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(Br)ccc1N1C(=O)NC(=O)C(=CNC(=O)Nc2ccc(F)cc2)C1=O ZINC000016282409 526166628 /nfs/dbraw/zinc/16/66/28/526166628.db2.gz DVOUFIZBMNLCOC-ZROIWOOFSA-N 0 2 461.247 4.025 40 10 JICBLN COC(=O)c1cc(NC(C)=C2C(=O)N(c3ccc(OC)cc3)N=C2c2ccccc2)cc(C(=O)OC)c1 ZINC000020288357 555757519 /nfs/dbraw/zinc/75/75/19/555757519.db2.gz BGTICWXFUJHJFY-ULJHMMPZSA-N 0 2 499.523 4.405 40 10 JICBLN COC(=O)c1cc(N=C(C)c2c(-c3ccccc3)[nH]n(-c3ccc(OC)cc3)c2=O)cc(C(=O)OC)c1 ZINC000020288357 555757521 /nfs/dbraw/zinc/75/75/21/555757521.db2.gz BGTICWXFUJHJFY-ULJHMMPZSA-N 0 2 499.523 4.405 40 10 JICBLN O=C1NC(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000408600538 569968532 /nfs/dbraw/zinc/96/85/32/569968532.db2.gz CSPCUVDBZMEREC-YBEGLDIGSA-N 0 2 482.792 4.083 40 10 JICBLN COC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)o2)c(C)c1 ZINC000408769390 570038520 /nfs/dbraw/zinc/03/85/20/570038520.db2.gz SSKNLFGODCHXRX-XDHOZWIPSA-N 0 2 464.861 4.361 40 10 JICBLN CCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1OC ZINC000408771132 570038895 /nfs/dbraw/zinc/03/88/95/570038895.db2.gz CUEYAXFCEGZGAW-CXUHLZMHSA-N 0 2 473.323 4.140 40 10 JICBLN Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000408784523 570042600 /nfs/dbraw/zinc/04/26/00/570042600.db2.gz UDEQXQTUKGPPSO-YZSQISJMSA-N 0 2 498.583 4.214 40 10 JICBLN COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000408800303 570045300 /nfs/dbraw/zinc/04/53/00/570045300.db2.gz LTDUHVBPMFPHTC-LPYMAVHISA-N 0 2 487.468 4.157 40 10 JICBLN Cc1ccc(C)c(N2C(=O)NC(=O)C(=Cc3ccccc3OCc3cccc([N+](=O)[O-])c3)C2=O)c1 ZINC000408800488 570045353 /nfs/dbraw/zinc/04/53/53/570045353.db2.gz MWMJDRMLEGEVFD-KGENOOAVSA-N 0 2 471.469 4.457 40 10 JICBLN COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c(OCc2ccc(F)cc2)c1 ZINC000408804881 570047059 /nfs/dbraw/zinc/04/70/59/570047059.db2.gz BYDZTOZYYHZGGK-LPYMAVHISA-N 0 2 460.461 4.388 40 10 JICBLN O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1 ZINC000408807614 570048167 /nfs/dbraw/zinc/04/81/67/570048167.db2.gz DMNUUNJIGGLBEQ-XDHOZWIPSA-N 0 2 477.860 4.494 40 10 JICBLN O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1cc(Cl)ccc1OCc1ccc(F)cc1 ZINC000408809538 570048606 /nfs/dbraw/zinc/04/86/06/570048606.db2.gz OGODTVSRQQEYSL-UDWIEESQSA-N 0 2 466.852 4.430 40 10 JICBLN Cc1cccc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)C2=O)c1C ZINC000408819023 570051404 /nfs/dbraw/zinc/05/14/04/570051404.db2.gz ZOKMYYXGJMMYMJ-HYARGMPZSA-N 0 2 471.469 4.457 40 10 JICBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cc(OC)c(Cl)cc3OC)C2=O)ccc1OC(C)C ZINC000408823048 570052230 /nfs/dbraw/zinc/05/22/30/570052230.db2.gz CEYGYKXCEQFQGL-OQLLNIDSSA-N 0 2 488.924 4.210 40 10 JICBLN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)c1C ZINC000408844534 570054241 /nfs/dbraw/zinc/05/42/41/570054241.db2.gz JZAQAUSQJYLHPD-CIAFOILYSA-N 0 2 488.500 4.294 40 10 JICBLN CCn1c2ccccc2c2cc(/C=C3\C(=O)NC(=O)N(c4ccc5c(c4)OCO5)C3=O)ccc21 ZINC000408854458 570056168 /nfs/dbraw/zinc/05/61/68/570056168.db2.gz GECNDOOEISRPIP-XDHOZWIPSA-N 0 2 453.454 4.210 40 10 JICBLN CCOc1cc(Br)cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)c1 ZINC000408866451 570058205 /nfs/dbraw/zinc/05/82/05/570058205.db2.gz GTUCUVQPHGNBGH-OQLLNIDSSA-N 0 2 463.715 4.476 40 10 JICBLN CCc1ccccc1N1C(=O)NC(=O)C(=Cc2cc(Br)c(OC(C)C)c(OC)c2)C1=O ZINC000408867562 570058501 /nfs/dbraw/zinc/05/85/01/570058501.db2.gz LJECBOIUIUHKSE-YBEGLDIGSA-N 0 2 487.350 4.474 40 10 JICBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(Cc4cc(C)cc(C)c4)cc3)C2=O)cc1 ZINC000408872130 570059977 /nfs/dbraw/zinc/05/99/77/570059977.db2.gz KZKROHCMNYZPDC-LFVJCYFKSA-N 0 2 468.509 4.347 40 10 JICBLN Cc1ccc(S(=O)(=O)Oc2ccccc2/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)cc1 ZINC000408885843 570064592 /nfs/dbraw/zinc/06/45/92/570064592.db2.gz FUWQNDSFWAEQDU-RCCKNPSSSA-N 0 2 490.537 4.046 40 10 JICBLN Cc1ccc(S(=O)(=O)Oc2ccccc2/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc1 ZINC000408893208 570066212 /nfs/dbraw/zinc/06/62/12/570066212.db2.gz DALJJEYHWDOURW-NBVRZTHBSA-N 0 2 496.928 4.083 40 10 JICBLN O=C1NC(=O)N(c2cc(C(F)(F)F)ccc2Cl)C(=O)/C1=C\c1ccc(O)c(Br)c1 ZINC000408938323 570082057 /nfs/dbraw/zinc/08/20/57/570082057.db2.gz QCWSRVDNKOHHQZ-YHYXMXQVSA-N 0 2 489.631 4.493 40 10 JICBLN O=C1NC(=O)N(c2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)/C1=C/c1ccc([N+](=O)[O-])cc1 ZINC000408940955 570082592 /nfs/dbraw/zinc/08/25/92/570082592.db2.gz VVTBKXKQDGROQH-FYJGNVAPSA-N 0 2 477.860 4.494 40 10 JICBLN O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000408942244 570082762 /nfs/dbraw/zinc/08/27/62/570082762.db2.gz YMVRFDLYIHFIMY-BKUYFWCQSA-N 0 2 477.860 4.494 40 10 JICBLN O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc(OCc2ccccc2Cl)cc1 ZINC000408956893 570085052 /nfs/dbraw/zinc/08/50/52/570085052.db2.gz ZEVGBKVURDWTIC-YBFXNURJSA-N 0 2 476.872 4.314 40 10 JICBLN Cc1cc(N2CCCC2)ccc1/C=C1\C(=O)NC(=O)N(c2ccc(Br)cc2C)C1=O ZINC000408961322 570086019 /nfs/dbraw/zinc/08/60/19/570086019.db2.gz RNCYOVYNFZSKBL-CPNJWEJPSA-N 0 2 468.351 4.333 40 10 JICBLN CCc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4cccc(C(=O)OC)c4C)o3)C2=O)cc1 ZINC000408981356 570090922 /nfs/dbraw/zinc/09/09/22/570090922.db2.gz AOPFIMMKJXLXMH-STZFKDTASA-N 0 2 458.470 4.270 40 10 JICBLN CCOc1cc(Br)c(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1OC ZINC000408983331 570091417 /nfs/dbraw/zinc/09/14/17/570091417.db2.gz LJZQTEKYTLJTTJ-AUWJEWJLSA-N 0 2 493.741 4.485 40 10 JICBLN CCc1ccc(N2C(=O)NC(=O)C(=Cc3cc(C)n(-c4cccc(C(=O)OC)c4C)c3C)C2=O)cc1 ZINC000408984943 570092016 /nfs/dbraw/zinc/09/20/16/570092016.db2.gz UOBZIVCQOXOYGP-HAHDFKILSA-N 0 2 485.540 4.418 40 10 JICBLN COc1cc(OC)c(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1Br ZINC000408986040 570092405 /nfs/dbraw/zinc/09/24/05/570092405.db2.gz LJBSZTVTRFQKSQ-MLPAPPSSSA-N 0 2 479.714 4.095 40 10 JICBLN Cc1cccc(NC(=O)COc2ccc(Cl)cc2/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)c1 ZINC000409048644 570109353 /nfs/dbraw/zinc/10/93/53/570109353.db2.gz UALAKTRYLCJDMA-KGENOOAVSA-N 0 2 489.915 4.332 40 10 JICBLN Cc1ccc(Cl)cc1N1C(=O)NC(=O)C(=Cc2ccccc2OS(=O)(=O)c2ccccc2)C1=O ZINC000409073373 570119074 /nfs/dbraw/zinc/11/90/74/570119074.db2.gz HEVASYHVFRBYAR-CPNJWEJPSA-N 0 2 496.928 4.083 40 10 JICBLN COC(=O)c1ccccc1-c1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)o1 ZINC000409242487 570182547 /nfs/dbraw/zinc/18/25/47/570182547.db2.gz NXSXXWXLWIFOGE-SFQUDFHCSA-N 0 2 464.861 4.361 40 10 JICBLN Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)c(C)n1-c1ccc(Cl)cc1Cl ZINC000409242612 570182555 /nfs/dbraw/zinc/18/25/55/570182555.db2.gz WZHOFWFZVQIXJF-RQZCQDPDSA-N 0 2 455.301 4.462 40 10 JICBLN Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)c(C)n1-c1cccc(Cl)c1Cl ZINC000409246906 570184546 /nfs/dbraw/zinc/18/45/46/570184546.db2.gz KWPIPMIWQWOMGY-MHWRWJLKSA-N 0 2 455.301 4.462 40 10 JICBLN Cc1ccc(C)c(NC(=O)COc2cccc(/C=C3\C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)c2)c1 ZINC000409254076 570186660 /nfs/dbraw/zinc/18/66/60/570186660.db2.gz HMKDJVWZHBEYEX-HYARGMPZSA-N 0 2 487.487 4.126 40 10 JICBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3OCC(=O)Nc3ccccc3C)C2=O)cc1C ZINC000409261753 570187677 /nfs/dbraw/zinc/18/76/77/570187677.db2.gz AWTTYHCDPRGMMM-JCMHNJIXSA-N 0 2 483.524 4.296 40 10 JICBLN CCCCOC(=O)c1cc(NC=C2C(=O)NC(=O)N(c3ccccc3C)C2=O)ccc1Cl ZINC000408530815 570187800 /nfs/dbraw/zinc/18/78/00/570187800.db2.gz JPNKFXBIJFPAKU-GHRIWEEISA-N 0 2 455.898 4.184 40 10 JICBLN COc1cccc(N2C(=O)NC(=O)C(=Cc3ccccc3OC(=O)c3ccc(Cl)cc3)C2=O)c1 ZINC000408531494 570188102 /nfs/dbraw/zinc/18/81/02/570188102.db2.gz GYUSGMMAKFFPFZ-MOSHPQCFSA-N 0 2 476.872 4.234 40 10 JICBLN Cc1cc(N2C(=O)NC(=O)C(=CNc3ccc(Cl)cc3[N+](=O)[O-])C2=O)c(C)cc1Br ZINC000408532450 570188491 /nfs/dbraw/zinc/18/84/91/570188491.db2.gz MTEHCGFSTFBCKE-XYOKQWHBSA-N 0 2 493.701 4.206 40 10 JICBLN O=C(Oc1ccccc1/C=C1/C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000408533055 570188809 /nfs/dbraw/zinc/18/88/09/570188809.db2.gz JGHMKAXMZYBOLK-UYRXBGFRSA-N 0 2 491.843 4.134 40 10 JICBLN Cc1cc(N2C(=O)NC(=O)C(=CNc3ccc(Br)cc3)C2=O)c(C)cc1Br ZINC000408533679 570189239 /nfs/dbraw/zinc/18/92/39/570189239.db2.gz OTGUFALKFPLTLJ-NTEUORMPSA-N 0 2 493.155 4.407 40 10 JICBLN Cc1cc(Br)c(C)c([N+](=O)[O-])c1NC=C1C(=O)NC(=O)N(c2ccccc2Cl)C1=O ZINC000408534341 570189326 /nfs/dbraw/zinc/18/93/26/570189326.db2.gz QKSFGNOJSGREFT-DHZHZOJOSA-N 0 2 493.701 4.206 40 10 JICBLN CCOc1ccc(OCC)c(N2C(=O)NC(=O)C(=Cc3ccc(OCC)c(OC)c3)C2=O)c1 ZINC000059104223 195387724 /nfs/dbraw/zinc/38/77/24/195387724.db2.gz LMAIYJJGUPBJEP-SFQUDFHCSA-N 0 2 454.479 4.398 40 10 JICBLN CCOc1c(Br)cc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OC ZINC000009259887 520589608 /nfs/dbraw/zinc/58/96/08/520589608.db2.gz NSELQONLSUBVRC-ZSOIEALJSA-N 0 2 479.714 4.176 40 10 JICBLN N#[N+]c1ccc2c(cccc2S(=O)(=O)Oc2ccc(C(=O)c3ccccc3)c(O)c2O)c1[O-] ZINC000031302670 556395653 /nfs/dbraw/zinc/39/56/53/556395653.db2.gz BLJMPBTUSMITOM-UHFFFAOYSA-O 0 2 463.447 4.440 40 10 JICBLN CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)c(Br)c1OC ZINC000035404766 569691702 /nfs/dbraw/zinc/69/17/02/569691702.db2.gz AHEDOBCNHYANMK-LCYFTJDESA-N 0 2 496.155 4.080 40 10 JICBLN CCOC(=O)c1ccc(NC(C)=C2C(=O)N(c3nc4ccccc4s3)N=C2CC(=O)OC)cc1 ZINC000103919964 569839121 /nfs/dbraw/zinc/83/91/21/569839121.db2.gz SFYJCEOPMSKBLW-STZFKDTASA-N 0 2 478.530 4.125 40 10 JICBLN O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Br)cc(Cl)c1O ZINC000408723659 570027633 /nfs/dbraw/zinc/02/76/33/570027633.db2.gz ZDBQXMGVGRGVJK-WUXMJOGZSA-N 0 2 472.147 4.293 40 10 JICBLN COC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)c2C)cc1 ZINC000408740375 570031950 /nfs/dbraw/zinc/03/19/50/570031950.db2.gz BLDRNHAZKAUHAR-FYJGNVAPSA-N 0 2 477.904 4.201 40 10 JICBLN COc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc1OC ZINC000408769221 570038560 /nfs/dbraw/zinc/03/85/60/570038560.db2.gz PNGKUDQLBHKSRC-KPKJPENVSA-N 0 2 454.788 4.042 40 10 JICBLN COC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4cc(C)cc(C)c4)C3=O)c2C)c1C ZINC000408773424 570039396 /nfs/dbraw/zinc/03/93/96/570039396.db2.gz KRQMZVKRLFFTHP-OEAKJJBVSA-N 0 2 485.540 4.472 40 10 JICBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)c(Br)cc1OC ZINC000408779977 570041224 /nfs/dbraw/zinc/04/12/24/570041224.db2.gz PAFBDFAEWIHUCN-CXUHLZMHSA-N 0 2 473.323 4.140 40 10 JICBLN CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc1Br ZINC000408801555 570045732 /nfs/dbraw/zinc/04/57/32/570045732.db2.gz VSIBBXBAJFLJOM-UKTHLTGXSA-N 0 2 463.715 4.476 40 10 JICBLN CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3OCc3ccc(F)cc3)C2=O)cc1 ZINC000408802168 570046075 /nfs/dbraw/zinc/04/60/75/570046075.db2.gz XJJPKHQDZFKAIV-PXLXIMEGSA-N 0 2 460.461 4.470 40 10 JICBLN COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1Br ZINC000408804882 570047038 /nfs/dbraw/zinc/04/70/38/570047038.db2.gz BYKQLSIGKDWGFX-IZZDOVSWSA-N 0 2 470.106 4.431 40 10 JICBLN O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1 ZINC000408812432 570049476 /nfs/dbraw/zinc/04/94/76/570049476.db2.gz LVFUOACYEQICEZ-XDHOZWIPSA-N 0 2 477.860 4.494 40 10 JICBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4ccccc4)c(Cl)c3)C2=O)cc1 ZINC000408813516 570049788 /nfs/dbraw/zinc/04/97/88/570049788.db2.gz QNVSQVQWVJEOKT-DEDYPNTBSA-N 0 2 490.899 4.372 40 10 JICBLN CCOC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3OCc3ccc(C)cc3)C2=O)cc1 ZINC000408819105 570051441 /nfs/dbraw/zinc/05/14/41/570051441.db2.gz YGMAHGRHYOQBOZ-XQNSMLJCSA-N 0 2 484.508 4.417 40 10 JICBLN CCOc1cc(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c1 ZINC000408866327 570058188 /nfs/dbraw/zinc/05/81/88/570058188.db2.gz FACJHHJZSRCVHK-CXUHLZMHSA-N 0 2 496.688 4.010 40 10 JICBLN COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)c(Cc2ccccc2Cl)c1 ZINC000408881703 570063036 /nfs/dbraw/zinc/06/30/36/570063036.db2.gz KBQMAWZROBLPPG-KGENOOAVSA-N 0 2 462.889 4.311 40 10 JICBLN CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3C)C2=O)cc(Cl)c1OC ZINC000408892945 570066310 /nfs/dbraw/zinc/06/63/10/570066310.db2.gz AXMOSCYRQMNCFO-ZSOIEALJSA-N 0 2 493.741 4.485 40 10 JICBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(Br)c(Cl)c1O ZINC000408898017 570067585 /nfs/dbraw/zinc/06/75/85/570067585.db2.gz KLYJABHXFGDYHI-IZZDOVSWSA-N 0 2 486.105 4.137 40 10 JICBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc(Br)c1OCC ZINC000408914586 570074662 /nfs/dbraw/zinc/07/46/62/570074662.db2.gz QXOBUIKWNBLTPY-OVCLIPMQSA-N 0 2 477.286 4.052 40 10 JICBLN O=C1/C(=C\c2cc(Br)cc([N+](=O)[O-])c2O)C(C(F)(F)F)=NN1c1ccccc1 ZINC000408971946 570088928 /nfs/dbraw/zinc/08/89/28/570088928.db2.gz MPYMDGBXLMKBJC-GHXNOFRVSA-N 0 2 456.174 4.411 40 10 JICBLN COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)o1 ZINC000408981818 570090946 /nfs/dbraw/zinc/09/09/46/570090946.db2.gz CSVQAQOLBSAHKU-BOPFTXTBSA-N 0 2 481.848 4.492 40 10 JICBLN CCc1ccc(N2C(=O)NC(=O)C(=Cc3cc(C)n(-c4ccc(NC(C)=O)cc4)c3C)C2=O)cc1 ZINC000408990286 570093794 /nfs/dbraw/zinc/09/37/94/570093794.db2.gz WSJNWWDZZLVLKF-IWIPYMOSSA-N 0 2 470.529 4.281 40 10 JICBLN COC(=O)c1ccc(Cl)c(-c2ccc(/C=C3\C(=O)NC(=O)N(c4ccccc4)C3=O)o2)c1 ZINC000409003485 570096986 /nfs/dbraw/zinc/09/69/86/570096986.db2.gz HKFDJMJYZURTII-SFQUDFHCSA-N 0 2 450.834 4.053 40 10 JICBLN O=C1NC(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1ccc(Br)o1 ZINC000409212164 570170320 /nfs/dbraw/zinc/17/03/20/570170320.db2.gz PRRRXJXZQPFQCM-LDADJPATSA-N 0 2 467.275 4.288 40 10 JICBLN CCOC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=O)N(c4ccccc4OCC)C3=O)o2)cc1 ZINC000409220641 570174132 /nfs/dbraw/zinc/17/41/32/570174132.db2.gz CPAMCXMSKLJKTK-XDJHFCHBSA-N 0 2 474.469 4.188 40 10 JICBLN Cc1ccc(NC(=O)COc2ccccc2/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1 ZINC000409222634 570175015 /nfs/dbraw/zinc/17/50/15/570175015.db2.gz CRZXWNFSYIVELR-FYJGNVAPSA-N 0 2 489.915 4.332 40 10 JICBLN O=C(COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc1)Nc1ccc(Cl)cc1 ZINC000409226854 570176058 /nfs/dbraw/zinc/17/60/58/570176058.db2.gz WETPEHMXXGWASI-KGENOOAVSA-N 0 2 475.888 4.024 40 10 JICBLN COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)o1 ZINC000409229223 570176993 /nfs/dbraw/zinc/17/69/93/570176993.db2.gz LPXOZYVTMBOUDV-LFIBNONCSA-N 0 2 481.848 4.492 40 10 JICBLN Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c(C)n1-c1ccccn1 ZINC000409229290 570177098 /nfs/dbraw/zinc/17/70/98/570177098.db2.gz MSADQPVXGZZFAJ-MHWRWJLKSA-N 0 2 455.301 4.462 40 10 JICBLN COc1cc(Br)cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)c1OC ZINC000409241472 570182132 /nfs/dbraw/zinc/18/21/32/570182132.db2.gz NPLIHMXBNVRSKX-MDWZMJQESA-N 0 2 479.714 4.095 40 10 JICBLN Cc1cc(NC=C2C(=O)NC(=O)N(c3cc(C)c(Br)cc3C)C2=O)cc([N+](=O)[O-])c1C ZINC000408533079 570188826 /nfs/dbraw/zinc/18/88/26/570188826.db2.gz OBLJKGUUHMHSJU-OQLLNIDSSA-N 0 2 487.310 4.170 40 10 JICBLN O=C(Oc1ccc(Br)cc1/C=C1/C(=O)NC(=O)N(c2ccccc2F)C1=O)c1ccco1 ZINC000408534124 570189353 /nfs/dbraw/zinc/18/93/53/570189353.db2.gz LJXAUVUANRFEHB-KAMYIIQDSA-N 0 2 499.248 4.067 40 10 JICBLN COc1cc(Br)cc(C=C2C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)c1O ZINC000059198328 195394767 /nfs/dbraw/zinc/39/47/67/195394767.db2.gz YHWYTSUXFMHYOE-MLPAPPSSSA-N 0 2 496.111 4.433 40 10 JICBLN CCN1C(=O)c2ccc(-c3ccc(/C=C4\C(=O)NN(c5ccc(Cl)c(Cl)c5)C4=O)o3)cc2C1=O ZINC000016681460 521538874 /nfs/dbraw/zinc/53/88/74/521538874.db2.gz RVMVCVMHQYLKNN-GZTJUZNOSA-N 0 2 496.306 4.331 40 10 JICBLN O=C(CCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1cc([N+](=O)[O-])ccc1O ZINC000008820432 554707354 /nfs/dbraw/zinc/70/73/54/554707354.db2.gz QQVFIWZTPXKHHR-DFBITEFZSA-N 0 2 455.517 4.087 40 10 JICBLN COc1ccc2c(c1)C=C[C@H]1N2[C@H](C(C)=O)C(=C(O)c2ccccc2F)[C@]12C(=O)Nc1ccccc12 ZINC000009016140 554866333 /nfs/dbraw/zinc/86/63/33/554866333.db2.gz RQHRUNVIBHBZCX-GSTLAZBSSA-N 0 2 482.511 4.397 40 10 JICBLN N#Cc1ccccc1COc1c(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC000033478006 569626772 /nfs/dbraw/zinc/62/67/72/569626772.db2.gz WIRXAXGGERRRML-GRSHGNNSSA-N 0 2 474.860 4.160 40 10 JICBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3OS(=O)(=O)c3ccc(C)cc3)C2=O)cc1 ZINC000083261390 569708292 /nfs/dbraw/zinc/70/82/92/569708292.db2.gz XGPRCTFXHDJBPN-RCCKNPSSSA-N 0 2 492.509 4.278 40 10 JICBLN CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1C(C)=Nc1cc(C(=O)OC)ccc1C(=O)OC ZINC000103919273 569839094 /nfs/dbraw/zinc/83/90/94/569839094.db2.gz UKVYGYASEVUPMF-STZFKDTASA-N 0 2 480.477 4.057 40 10 JICBLN CCCc1[nH]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1C(C)=Nc1cc(C(=O)OC)ccc1C(=O)OC ZINC000103919273 569839096 /nfs/dbraw/zinc/83/90/96/569839096.db2.gz UKVYGYASEVUPMF-STZFKDTASA-N 0 2 480.477 4.057 40 10 JICBLN CC(=O)[C@H](N=Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)C(=O)Nc1ccc(Cl)cc1 ZINC000104124181 569841602 /nfs/dbraw/zinc/84/16/02/569841602.db2.gz OTMZOLCCZBOOSN-QTJUSOIVSA-N 0 2 471.926 4.216 40 10 JICBLN Cc1cc(N2CCCC2)c(F)cc1/C=C1\C(=O)NC(=O)N(c2cccc(Br)c2)C1=O ZINC000108234081 569859189 /nfs/dbraw/zinc/85/91/89/569859189.db2.gz WRCKKYBHUJUDDS-LICLKQGHSA-N 0 2 472.314 4.163 40 10 JICBLN Cc1ccc(N2C(=O)/C(=C/c3cc(Br)c(O)c(Br)c3)C(=O)NC2=S)cc1 ZINC000408740756 570032081 /nfs/dbraw/zinc/03/20/81/570032081.db2.gz HXBIRXQCFUCAPS-WUXMJOGZSA-N 0 2 496.180 4.057 40 10 JICBLN CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cc(C)n(-c4cccc([N+](=O)[O-])c4)c3C)C2=O)cc1 ZINC000408740995 570032194 /nfs/dbraw/zinc/03/21/94/570032194.db2.gz NKSWBDPNMRFNEM-LPYMAVHISA-N 0 2 474.473 4.067 40 10 JICBLN Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc2c(c1)OCO2 ZINC000408772821 570039343 /nfs/dbraw/zinc/03/93/43/570039343.db2.gz NHOTXMGQVMEAAE-VXLYETTFSA-N 0 2 463.877 4.143 40 10 JICBLN Cc1cc(C=C2C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000408785375 570042955 /nfs/dbraw/zinc/04/29/55/570042955.db2.gz YPGGVEOMMXKTIO-KOEQRZSOSA-N 0 2 498.583 4.214 40 10 JICBLN 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CCOC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(Cc4cccc(F)c4)cc3)C2=O)cc1 ZINC000408871874 570059922 /nfs/dbraw/zinc/05/99/22/570059922.db2.gz YQAMBRNUBWOSRM-XQNSMLJCSA-N 0 2 472.472 4.260 40 10 JICBLN O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C\c1cc(Cl)ccc1Cc1cccc(F)c1 ZINC000408873254 570060366 /nfs/dbraw/zinc/06/03/66/570060366.db2.gz RPJRDBICFQZMCH-FYJGNVAPSA-N 0 2 450.853 4.442 40 10 JICBLN COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)ccc1Cc1ccccc1Cl ZINC000408877222 570061632 /nfs/dbraw/zinc/06/16/32/570061632.db2.gz UIXCWRNFCVLODV-UDWIEESQSA-N 0 2 462.889 4.311 40 10 JICBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Br)c1O ZINC000408878677 570062284 /nfs/dbraw/zinc/06/22/84/570062284.db2.gz CSGYQSKYYHMUMJ-AWNIVKPZSA-N 0 2 479.714 4.182 40 10 JICBLN O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1ccc(OCc2ccccc2F)c(Cl)c1 ZINC000408891410 570065824 /nfs/dbraw/zinc/06/58/24/570065824.db2.gz QFHOSLYLIIRIOL-WOJGMQOQSA-N 0 2 466.852 4.430 40 10 JICBLN Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c(C)n1-c1ccccc1Cl ZINC000408953236 570084478 /nfs/dbraw/zinc/08/44/78/570084478.db2.gz PIAVCNAKCOCJRD-LICLKQGHSA-N 0 2 463.877 4.143 40 10 JICBLN Cc1ccc(-n2cccc2/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1 ZINC000408965612 570087416 /nfs/dbraw/zinc/08/74/16/570087416.db2.gz WIDXARSHPZLCTA-CPNJWEJPSA-N 0 2 450.292 4.215 40 10 JICBLN Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)c(C)n1-c1ccc2ncccc2c1 ZINC000408967194 570087853 /nfs/dbraw/zinc/08/78/53/570087853.db2.gz QJHGCKXVTZDOBN-LPYMAVHISA-N 0 2 454.461 4.448 40 10 JICBLN CCc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4cc(C(=O)OC)ccc4C)o3)C2=O)cc1 ZINC000408983057 570091286 /nfs/dbraw/zinc/09/12/86/570091286.db2.gz JXGPUSLDLGWMJF-STZFKDTASA-N 0 2 458.470 4.270 40 10 JICBLN O=C(COc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccccc2)C1=O)Nc1ccccc1 ZINC000409045868 570108712 /nfs/dbraw/zinc/10/87/12/570108712.db2.gz JFAMQBUUDWAHRB-XSFVSMFZSA-N 0 2 475.888 4.024 40 10 JICBLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1sc2c(c1C(=O)Nc1cccnc1)CCCC2 ZINC000409113203 570133002 /nfs/dbraw/zinc/13/30/02/570133002.db2.gz DWUCNWYNKGFEOS-UHFFFAOYSA-N 0 2 472.548 4.292 40 10 JICBLN Cc1ccc(NC(=O)COc2cccc(/C=C3/C(=O)NC(=O)N(c4ccc(C)c(C)c4)C3=O)c2)cc1 ZINC000409220029 570174042 /nfs/dbraw/zinc/17/40/42/570174042.db2.gz SSYJBLAIUVGNAQ-IWIPYMOSSA-N 0 2 483.524 4.296 40 10 JICBLN CCOc1ccccc1N1C(=O)NC(=O)C(=Cc2cc(Cl)c(OCC)c(OCC)c2)C1=O ZINC000409231052 570177783 /nfs/dbraw/zinc/17/77/83/570177783.db2.gz AZUJYTWSRXZKSU-RVDMUPIBSA-N 0 2 458.898 4.203 40 10 JICBLN Cc1cc(N2C(=O)NC(=O)C(=CNc3cc(Cl)ccc3O)C2=O)c(C)cc1Br ZINC000408527062 570186288 /nfs/dbraw/zinc/18/62/88/570186288.db2.gz DTOXQBMELUWZAB-XYOKQWHBSA-N 0 2 464.703 4.004 40 10 JICBLN Cc1cc(C)c(N2C(=O)NC(=O)C(=CNC(=O)Nc3cc(C)c(C)cc3Br)C2=O)c(C)c1 ZINC000408528451 570186804 /nfs/dbraw/zinc/18/68/04/570186804.db2.gz GASSIBNAILCFRA-MHWRWJLKSA-N 0 2 499.365 4.280 40 10 JICBLN 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JICBLN COc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)c2C)c([N+](=O)[O-])c1 ZINC000408894181 570066648 /nfs/dbraw/zinc/06/66/48/570066648.db2.gz BMNACWMMRAQSOX-YBFXNURJSA-N 0 2 494.891 4.331 40 10 JICBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c(Br)c(Cl)c1O ZINC000408895286 570066956 /nfs/dbraw/zinc/06/69/56/570066956.db2.gz DQBGVGHNVACHJI-MDWZMJQESA-N 0 2 479.714 4.182 40 10 JICBLN CCCOc1cc(OC)ccc1/C=C1/C(=O)NC(=O)N(c2ccc(Br)c(C)c2)C1=O ZINC000408899286 570068015 /nfs/dbraw/zinc/06/80/15/570068015.db2.gz NZZOPWXTQLAHJK-BOPFTXTBSA-N 0 2 473.323 4.221 40 10 JICBLN CCCCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OC)cc3OCCC)C2=O)cc1 ZINC000408901336 570068721 /nfs/dbraw/zinc/06/87/21/570068721.db2.gz XGDQVDXZXUSFLK-QNGOZBTKSA-N 0 2 452.507 4.329 40 10 JICBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)ccc1OCc1ccc(F)cc1 ZINC000408913634 570074103 /nfs/dbraw/zinc/07/41/03/570074103.db2.gz MPVOCLZITOFLQR-RGVLZGJSSA-N 0 2 464.424 4.219 40 10 JICBLN 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ZINC000408892477 570066061 /nfs/dbraw/zinc/06/60/61/570066061.db2.gz BUXLCUFQNWNNMT-FYJGNVAPSA-N 0 2 460.461 4.388 40 10 JICBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4ccccc4)c([N+](=O)[O-])c3)C2=O)cc1 ZINC000408896641 570067321 /nfs/dbraw/zinc/06/73/21/570067321.db2.gz GTRGEIHQLYPLQO-DEDYPNTBSA-N 0 2 457.442 4.149 40 10 JICBLN CCCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1OC ZINC000408898329 570067766 /nfs/dbraw/zinc/06/77/66/570067766.db2.gz LCTSYWQHUTVVFW-WJDWOHSUSA-N 0 2 473.323 4.221 40 10 JICBLN CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc1Br ZINC000408912183 570073268 /nfs/dbraw/zinc/07/32/68/570073268.db2.gz PVSKPOMFGHSMET-AWNIVKPZSA-N 0 2 467.678 4.307 40 10 JICBLN Cc1cc(N2CCCC2)ccc1/C=C1\C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O ZINC000408959642 570085285 /nfs/dbraw/zinc/08/52/85/570085285.db2.gz CKUUWGTZZUOAAH-CPNJWEJPSA-N 0 2 454.324 4.024 40 10 JICBLN Cc1cc(N2CCCC2)ccc1/C=C1\C(=O)NC(=O)N(c2cccc(Br)c2)C1=O ZINC000408962617 570086510 /nfs/dbraw/zinc/08/65/10/570086510.db2.gz 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/nfs/dbraw/zinc/83/92/48/569839248.db2.gz HJPOBZFHRJWENT-QNGOZBTKSA-N 0 2 489.582 4.081 40 10 JICBLN O=C(COc1ccccc1/C=C1/C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O)Nc1ccccc1F ZINC000107971374 569858171 /nfs/dbraw/zinc/85/81/71/569858171.db2.gz SXKDYGKQISUBBI-AQTBWJFISA-N 0 2 493.878 4.163 40 10 JICBLN CCCOc1cc(Br)c(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1OC ZINC000108220756 569859102 /nfs/dbraw/zinc/85/91/02/569859102.db2.gz BDHPQLZJNVUJAF-OQLLNIDSSA-N 0 2 477.286 4.052 40 10 JICBLN CCN1c2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(OC)cc4OC)C3=O)cc2[C@@H](C)CC1(C)C ZINC000223538320 569915129 /nfs/dbraw/zinc/91/51/29/569915129.db2.gz RLIGNXMHMLDBBX-UOEVCUDDSA-N 0 2 477.561 4.482 40 10 JICBLN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c1C ZINC000408769293 570038596 /nfs/dbraw/zinc/03/85/96/570038596.db2.gz QOEROXTVXABPIP-YBFXNURJSA-N 0 2 494.891 4.331 40 10 JICBLN COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)c(OCc2cccc([N+](=O)[O-])c2)c1 ZINC000408800059 570045087 /nfs/dbraw/zinc/04/50/87/570045087.db2.gz JYPJEMDWAXUSTL-LPYMAVHISA-N 0 2 487.468 4.157 40 10 JICBLN Cc1ccc(C)c(N2C(=O)NC(=O)C(=Cc3ccccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)c1 ZINC000408804108 570046767 /nfs/dbraw/zinc/04/67/67/570046767.db2.gz VWZPHGTXWWOFON-KGENOOAVSA-N 0 2 471.469 4.457 40 10 JICBLN CCOC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3OCc3cccc(C)c3)C2=O)cc1 ZINC000408806207 570047547 /nfs/dbraw/zinc/04/75/47/570047547.db2.gz MDYJKLMKPQSAHU-XQNSMLJCSA-N 0 2 484.508 4.417 40 10 JICBLN COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)c(OCc2cccc([N+](=O)[O-])c2)c1 ZINC000408806026 570047564 /nfs/dbraw/zinc/04/75/64/570047564.db2.gz ABQIZDHEEILNKS-FYJGNVAPSA-N 0 2 487.468 4.157 40 10 JICBLN CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1OC ZINC000408817834 570051079 /nfs/dbraw/zinc/05/10/79/570051079.db2.gz UPTDMIKXYXDBJS-RIYZIHGNSA-N 0 2 479.714 4.176 40 10 JICBLN COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1Br ZINC000408850350 570055348 /nfs/dbraw/zinc/05/53/48/570055348.db2.gz LXIULFOIRHRIJP-VGOFMYFVSA-N 0 2 463.715 4.394 40 10 JICBLN CCCOc1ccc(Br)cc1/C=C1/C(=O)NC(=O)N(c2ccccc2CC)C1=O ZINC000408868622 570058915 /nfs/dbraw/zinc/05/89/15/570058915.db2.gz NVPOFRCLCPOBJN-LGMDPLHJSA-N 0 2 457.324 4.467 40 10 JICBLN CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(Cc4cccc(F)c4)c(OC)c3)C2=O)cc1 ZINC000408869823 570059168 /nfs/dbraw/zinc/05/91/68/570059168.db2.gz RRUPOJIXKGVAPP-HZHRSRAPSA-N 0 2 474.488 4.490 40 10 JICBLN CCOc1cc(I)cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)c1 ZINC000408877870 570061825 /nfs/dbraw/zinc/06/18/25/570061825.db2.gz XPKIRHSYJOOWKL-NTEUORMPSA-N 0 2 496.688 4.010 40 10 JICBLN Cc1cc(C)cc(Cc2ccc(/C=C3\C(=O)NC(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)cc2)c1 ZINC000408877648 570061894 /nfs/dbraw/zinc/06/18/94/570061894.db2.gz XBUCDVFQONJXNN-OEAKJJBVSA-N 0 2 455.470 4.469 40 10 JICBLN COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)c(OCc2cccc(F)c2)c1 ZINC000408884020 570063857 /nfs/dbraw/zinc/06/38/57/570063857.db2.gz XOQQGQDROFMULJ-UNOMPAQXSA-N 0 2 464.424 4.219 40 10 JICBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3Cc3cc(C)cc(C)c3)C2=O)cc1 ZINC000408884713 570063967 /nfs/dbraw/zinc/06/39/67/570063967.db2.gz ZAQZBSUOWMIUFN-LFVJCYFKSA-N 0 2 468.509 4.347 40 10 JICBLN CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3C)C2=O)cc(Cl)c1O ZINC000408893434 570066411 /nfs/dbraw/zinc/06/64/11/570066411.db2.gz ANBSYNINIBFMDY-QPEQYQDCSA-N 0 2 479.714 4.182 40 10 JICBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4cc(C)cc(C)c4)cc3)C2=O)cc1 ZINC000408898207 570067743 /nfs/dbraw/zinc/06/77/43/570067743.db2.gz VTBMQCRJPVEISZ-BUVRLJJBSA-N 0 2 484.508 4.335 40 10 JICBLN Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3ccc(OCC(=O)Nc4ccc(F)cc4)cc3)C2=O)c1 ZINC000408900489 570068267 /nfs/dbraw/zinc/06/82/67/570068267.db2.gz SZPZHFPEDVLEBN-OEAKJJBVSA-N 0 2 487.487 4.126 40 10 JICBLN CC[C@H](C)Oc1c(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cccc1OC ZINC000408903615 570070173 /nfs/dbraw/zinc/07/01/73/570070173.db2.gz UNWGTDAJZNIPCY-VLURKWGBSA-N 0 2 473.323 4.301 40 10 JICBLN CCOc1cc(Br)c(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc1OCC ZINC000408910155 570072174 /nfs/dbraw/zinc/07/21/74/570072174.db2.gz JICRZMJSHZWXGM-OVCLIPMQSA-N 0 2 477.286 4.052 40 10 JICBLN O=C1NC(=O)N(c2ccc(OCc3ccccc3Cl)cc2)C(=O)/C1=C/c1cccc([N+](=O)[O-])c1 ZINC000408934730 570081120 /nfs/dbraw/zinc/08/11/20/570081120.db2.gz FWVOXAQPBKFUNY-DEDYPNTBSA-N 0 2 477.860 4.494 40 10 JICBLN Cc1ccc(S(=O)(=O)Oc2cccc(/C=C3/C(=O)NC(=O)N(c4ccccc4Cl)C3=O)c2)cc1 ZINC000408935528 570081360 /nfs/dbraw/zinc/08/13/60/570081360.db2.gz HPHZFSSIJUPIFN-RGEXLXHISA-N 0 2 496.928 4.083 40 10 JICBLN CC[C@H](C)Oc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1Br ZINC000408949797 570083826 /nfs/dbraw/zinc/08/38/26/570083826.db2.gz IVYSXRSAIWOPJH-AAWHYMEISA-N 0 2 487.306 4.022 40 10 JICBLN COc1ccc(-n2cccc2/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000408949952 570083990 /nfs/dbraw/zinc/08/39/90/570083990.db2.gz CQMBFCWTJMLLAC-GZTJUZNOSA-N 0 2 456.285 4.459 40 10 JICBLN O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cc(Br)c(Br)o1 ZINC000408950974 570084156 /nfs/dbraw/zinc/08/41/56/570084156.db2.gz HCMXHTZRAZCTOK-BJMVGYQFSA-N 0 2 474.492 4.124 40 10 JICBLN CCOc1ccc(Br)cc1/C=C1/C(=O)NC(=O)N(c2ccc(C)c(Cl)c2)C1=O ZINC000408991297 570094136 /nfs/dbraw/zinc/09/41/36/570094136.db2.gz QCZWTHQSYVAWDP-DHDCSXOGSA-N 0 2 463.715 4.476 40 10 JICBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409044887 570108396 /nfs/dbraw/zinc/10/83/96/570108396.db2.gz FACBVENLNQOOEL-PXLXIMEGSA-N 0 2 499.523 4.078 40 10 JICBLN COc1ccc([NH+]2CCC3(CC2)CCC(C)(C)N(S(=O)(=O)c2ccccc2)C3)cc1C(=O)[O-] ZINC000257266415 570128379 /nfs/dbraw/zinc/12/83/79/570128379.db2.gz MCXMVZCIWNODEV-UHFFFAOYSA-N 0 2 472.607 4.243 40 10 JICBLN CCOc1cc(Br)c(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc1OC ZINC000409240827 570181857 /nfs/dbraw/zinc/18/18/57/570181857.db2.gz QCDKCZJWONRAFL-MDWZMJQESA-N 0 2 493.741 4.485 40 10 JICBLN COc1cc(N2CCCCC2)ccc1/C=C1\C(=O)NC(=O)N(c2cccc(Cl)c2C)C1=O ZINC000409243318 570183003 /nfs/dbraw/zinc/18/30/03/570183003.db2.gz XMPWNLRCLZYQNF-QGOAFFKASA-N 0 2 453.926 4.314 40 10 JICBLN Cc1nn(Cc2ccccc2Cl)c(C)c1NC=C1C(=O)NC(=O)N(c2ccccc2Cl)C1=O ZINC000408529759 570187335 /nfs/dbraw/zinc/18/73/35/570187335.db2.gz HWDZWIGIDWRWEV-LFIBNONCSA-N 0 2 484.343 4.434 40 10 JICBLN CCn1c2cc(N=CC3C(=O)N(c4ccc(Cl)c(OC)c4)N=C3C)c([N+](=O)[O-])cc2n(CC)c1=O ZINC000408532732 570188694 /nfs/dbraw/zinc/18/86/94/570188694.db2.gz QWWFUYNBLZXZIK-QINSGFPZSA-N 0 2 498.927 4.132 40 10 JICBLN O=c1[nH]c2ccc(NC=C3C(=O)NC(=O)N(c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)C3=O)cc2[nH]1 ZINC000408533976 570189236 /nfs/dbraw/zinc/18/92/36/570189236.db2.gz PRDXWQJYCSZMBN-KGENOOAVSA-N 0 2 497.555 4.315 40 10 JICBLN Cc1cccc(NC(=O)COc2cccc(/C=C3/C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)c2)c1 ZINC000409271807 570189273 /nfs/dbraw/zinc/18/92/73/570189273.db2.gz NHKJBKWMFAVIBE-HMAPJEAMSA-N 0 2 489.915 4.332 40 10 JICBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3OC(=O)C=Cc3ccccc3)C2=O)cc1 ZINC000408536908 570190670 /nfs/dbraw/zinc/19/06/70/570190670.db2.gz TYRNLYBBYJUKCX-NSJYKWEZSA-N 0 2 452.466 4.280 40 10 JICBLN O=C1NC(=O)N(c2ccc(Cl)cc2Cl)C(=O)/C1=C/c1ccccc1I ZINC000408550322 570194893 /nfs/dbraw/zinc/19/48/93/570194893.db2.gz FYFJSWOYZZVXFH-YRNVUSSQSA-N 0 2 487.080 4.264 40 10 JICBLN CCOc1ccc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1I ZINC000059135180 195389585 /nfs/dbraw/zinc/38/95/85/195389585.db2.gz WRWDQMMIBDMGCT-NTEUORMPSA-N 0 2 480.233 4.336 40 10 JICBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)C2=O)cc1Cl ZINC000009259950 524927826 /nfs/dbraw/zinc/92/78/26/524927826.db2.gz LGYSUCOKISLZBL-WJDWOHSUSA-N 0 2 451.822 4.483 40 10 JICBLN CCOc1ccc(Br)cc1/C=C1/C(=O)NN(c2ccc(Br)cc2)C1=O ZINC000013477195 555403075 /nfs/dbraw/zinc/40/30/75/555403075.db2.gz UXPRVEXODJNGMH-GDNBJRDFSA-N 0 2 466.129 4.072 40 10 JICBLN CCCc1[nH]n(-c2ccc(OC)cc2)c(=O)c1C(C)=Nc1cc(C(=O)OC)cc(C(=O)OC)c1 ZINC000103919228 569839079 /nfs/dbraw/zinc/83/90/79/569839079.db2.gz FBPGSAMGFGVZBP-JCMHNJIXSA-N 0 2 465.506 4.157 40 10 JICBLN CCCC1=NN(c2ccc(OC)cc2)C(=O)C1C(C)=Nc1cc(C(=O)OC)cc(C(=O)OC)c1 ZINC000103919228 569839080 /nfs/dbraw/zinc/83/90/80/569839080.db2.gz FBPGSAMGFGVZBP-JCMHNJIXSA-N 0 2 465.506 4.157 40 10 JICBLN CCCC1=NN(c2ccc(OC)cc2)C(=O)C1=C(C)Nc1cc(C(=O)OC)cc(C(=O)OC)c1 ZINC000103919228 569839082 /nfs/dbraw/zinc/83/90/82/569839082.db2.gz FBPGSAMGFGVZBP-JCMHNJIXSA-N 0 2 465.506 4.157 40 10 JICBLN CCCOc1cc(Br)c(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)cc1OCC ZINC000107594878 569856628 /nfs/dbraw/zinc/85/66/28/569856628.db2.gz ATZNPCLNULLTFV-WJDWOHSUSA-N 0 2 473.323 4.303 40 10 JICBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)ccc1OC(=O)c1ccccc1 ZINC000107596933 569856657 /nfs/dbraw/zinc/85/66/57/569856657.db2.gz GLSRAGMCIIXRBS-HMMYKYKNSA-N 0 2 470.481 4.279 40 10 JICBLN COc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc1Br ZINC000408739219 570031411 /nfs/dbraw/zinc/03/14/11/570031411.db2.gz ABJYEGHSCQYUKS-NTUHNPAUSA-N 0 2 494.139 4.195 40 10 JICBLN CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1OC ZINC000408766812 570038115 /nfs/dbraw/zinc/03/81/15/570038115.db2.gz SFCCYIWSSIFDJN-RIYZIHGNSA-N 0 2 493.741 4.485 40 10 JICBLN COC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4cc(C)cc(C)c4)C3=O)c2C)c1 ZINC000408775645 570040242 /nfs/dbraw/zinc/04/02/42/570040242.db2.gz JMZFMKYJNLSTAN-OEAKJJBVSA-N 0 2 471.513 4.164 40 10 JICBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)cc(Br)c3O)C2=O)cc1C ZINC000408780549 570041420 /nfs/dbraw/zinc/04/14/20/570041420.db2.gz DHGIXOVHIHJBAO-VGOFMYFVSA-N 0 2 494.139 4.200 40 10 JICBLN Cc1ccc(-c2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)o2)cc1[N+](=O)[O-] ZINC000408785842 570043114 /nfs/dbraw/zinc/04/31/14/570043114.db2.gz IKAGQGZYRGFPNG-GZTJUZNOSA-N 0 2 451.822 4.483 40 10 JICBLN Cc1cccc(COc2ccccc2/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)c1 ZINC000408798462 570044738 /nfs/dbraw/zinc/04/47/38/570044738.db2.gz FJIBMAAIZFWGKN-FYJGNVAPSA-N 0 2 457.442 4.149 40 10 JICBLN COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)c(OCc2cccc(Cl)c2)c1 ZINC000408799749 570045118 /nfs/dbraw/zinc/04/51/18/570045118.db2.gz KSCLJKFUIGIWKY-CIAFOILYSA-N 0 2 478.888 4.300 40 10 JICBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000408801564 570045849 /nfs/dbraw/zinc/04/58/49/570045849.db2.gz VVAYJZWFEUKFRT-FYJGNVAPSA-N 0 2 487.468 4.157 40 10 JICBLN CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OC)cc3OCc3ccc(F)cc3)C2=O)cc1 ZINC000408803146 570046530 /nfs/dbraw/zinc/04/65/30/570046530.db2.gz LSHVNTHNVNPYJN-OEAKJJBVSA-N 0 2 490.487 4.478 40 10 JICBLN CCCCOc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)c(OC)c(OC)c3)C2=O)cc1 ZINC000408893386 570066429 /nfs/dbraw/zinc/06/64/29/570066429.db2.gz AAEDOXJERZTZDS-BOPFTXTBSA-N 0 2 458.898 4.203 40 10 JICBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c(Br)cc1OC(C)C ZINC000408903609 570069989 /nfs/dbraw/zinc/06/99/89/570069989.db2.gz UIQOGZCBVUDOTM-OVCLIPMQSA-N 0 2 477.286 4.050 40 10 JICBLN Cc1ccc(S(=O)(=O)Oc2cccc(/C=C3/C(=O)NC(=O)N(c4ccc(C)cc4C)C3=O)c2)cc1 ZINC000408933830 570080879 /nfs/dbraw/zinc/08/08/79/570080879.db2.gz BNOPTYZRKSOKDZ-JCMHNJIXSA-N 0 2 490.537 4.046 40 10 JICBLN Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c(C)n1-c1cccc(C)c1C ZINC000408953170 570084472 /nfs/dbraw/zinc/08/44/72/570084472.db2.gz OXYZNOHXVQXPDH-RGVLZGJSSA-N 0 2 457.486 4.106 40 10 JICBLN Cc1ccc(-c2ccc(/C=C3/C(=O)NC(=O)N(c4ccc5c(c4)OCO5)C3=O)o2)c(Br)c1 ZINC000408956786 570084999 /nfs/dbraw/zinc/08/49/99/570084999.db2.gz YKQUVQCGPIBUFK-YBEGLDIGSA-N 0 2 495.285 4.413 40 10 JICBLN CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4cccc(C)c4)C3=O)c2C)c1 ZINC000408966963 570087754 /nfs/dbraw/zinc/08/77/54/570087754.db2.gz OHWQMMGPURPCCZ-HZHRSRAPSA-N 0 2 471.513 4.246 40 10 JICBLN CCOc1cc(OCC)c(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc1Br ZINC000408983122 570091296 /nfs/dbraw/zinc/09/12/96/570091296.db2.gz KSBARXXXFBMVIR-BOPFTXTBSA-N 0 2 487.350 4.475 40 10 JICBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(Sc4ccccn4)c([N+](=O)[O-])c3)C2=O)cc1C ZINC000408987115 570092685 /nfs/dbraw/zinc/09/26/85/570092685.db2.gz AKTNMEDQNAKNPI-LDADJPATSA-N 0 2 474.498 4.424 40 10 JICBLN CCc1ccc(N2C(=O)NC(=O)C(=Cc3cc(C)n(-c4cccc([N+](=O)[O-])c4)c3C)C2=O)cc1 ZINC000408991003 570094119 /nfs/dbraw/zinc/09/41/19/570094119.db2.gz YPVPUOREMWCKBM-XKZIYDEJSA-N 0 2 458.474 4.231 40 10 JICBLN CCc1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000408992463 570094427 /nfs/dbraw/zinc/09/44/27/570094427.db2.gz SUXGQNJJRQJHAO-JCMHNJIXSA-N 0 2 471.469 4.403 40 10 JICBLN Cc1cccc(NC(=O)COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)cc2)c1 ZINC000409041164 570107656 /nfs/dbraw/zinc/10/76/56/570107656.db2.gz ITWYGYALVXTGGX-HYARGMPZSA-N 0 2 489.915 4.332 40 10 JICBLN O=C1NC(=O)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(O)c(Br)c1 ZINC000409074675 570119553 /nfs/dbraw/zinc/11/95/53/570119553.db2.gz UOASSSRWCPJOJK-RMKNXTFCSA-N 0 2 456.079 4.128 40 10 JICBLN COc1cc(N2CCCC2)c(OC)cc1/C=C1\C(=O)NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O ZINC000409109057 570131377 /nfs/dbraw/zinc/13/13/77/570131377.db2.gz XFNCVARGYHZXLA-OQLLNIDSSA-N 0 2 490.343 4.277 40 10 JICBLN COC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4C)C3=O)o2)cc1 ZINC000409229085 570177022 /nfs/dbraw/zinc/17/70/22/570177022.db2.gz JNMRDYZGRAKADS-SFQUDFHCSA-N 0 2 464.861 4.361 40 10 JICBLN COc1ccc(C(=O)Oc2ccccc2/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000408530239 570187506 /nfs/dbraw/zinc/18/75/06/570187506.db2.gz DPEHADOUDVHWRG-ZHZULCJRSA-N 0 2 476.872 4.234 40 10 JICBLN O=C(COc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(F)cc2)C1=O)Nc1ccccc1Cl ZINC000409267176 570188602 /nfs/dbraw/zinc/18/86/02/570188602.db2.gz TUPHKCOVFWPIFB-QGOAFFKASA-N 0 2 493.878 4.163 40 10 JICBLN COC(=O)c1cccc(Cn2cc(/C=C3\C(=O)NC(=O)N(c4cccc(C)c4)C3=O)c3ccccc32)c1 ZINC000408542432 570191846 /nfs/dbraw/zinc/19/18/46/570191846.db2.gz JLYAJKGPVCSRIQ-BUVRLJJBSA-N 0 2 493.519 4.451 40 10 JICBLN 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O=C1NC(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1 ZINC000408813499 570049803 /nfs/dbraw/zinc/04/98/03/570049803.db2.gz ODKHJFDLKQLSFW-CPNJWEJPSA-N 0 2 477.860 4.494 40 10 JICBLN Cc1cccc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4cccc([N+](=O)[O-])c4)cc3)C2=O)c1 ZINC000408814473 570049999 /nfs/dbraw/zinc/04/99/99/570049999.db2.gz VQSJUNSYIUPLNC-HYARGMPZSA-N 0 2 457.442 4.149 40 10 JICBLN COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)c(OCc2ccc(Cl)cc2)c1 ZINC000408817047 570050830 /nfs/dbraw/zinc/05/08/30/570050830.db2.gz VEBXWERJXZYSFS-CIAFOILYSA-N 0 2 478.888 4.300 40 10 JICBLN CCOc1ccc(OCC)c(N2C(=O)NC(=O)C(=Cc3ccc(OCC(C)C)cc3)C2=O)c1 ZINC000408851510 570055547 /nfs/dbraw/zinc/05/55/47/570055547.db2.gz ZWTMMRVCBNSYIM-DEDYPNTBSA-N 0 2 452.507 4.185 40 10 JICBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3OCc3ccc4c(c3)OCO4)C2=O)cc1C ZINC000408855879 570056502 /nfs/dbraw/zinc/05/65/02/570056502.db2.gz ONRXPYMVEPLKAG-FYJGNVAPSA-N 0 2 470.481 4.278 40 10 JICBLN CCOc1cc(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)c1 ZINC000408875074 570060933 /nfs/dbraw/zinc/06/09/33/570060933.db2.gz CMPZIHKOHQJPFM-LZYBPNLTSA-N 0 2 463.715 4.476 40 10 JICBLN CCOC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3Cc3ccccc3F)C2=O)cc1 ZINC000408877737 570061802 /nfs/dbraw/zinc/06/18/02/570061802.db2.gz UETCKXCTHVANTN-CJLVFECKSA-N 0 2 472.472 4.260 40 10 JICBLN O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1ccc(Cc2cccc(F)c2)c(Cl)c1 ZINC000408877663 570061919 /nfs/dbraw/zinc/06/19/19/570061919.db2.gz XJRROKOMJDMHAI-UDWIEESQSA-N 0 2 450.853 4.442 40 10 JICBLN Cc1ccc(S(=O)(=O)Oc2ccccc2/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1 ZINC000408879605 570062523 /nfs/dbraw/zinc/06/25/23/570062523.db2.gz FMHPYZWOWAPKIV-DEDYPNTBSA-N 0 2 496.928 4.083 40 10 JICBLN COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)c(OCc2ccccc2Cl)c1 ZINC000408887903 570064784 /nfs/dbraw/zinc/06/47/84/570064784.db2.gz RZBZDZHDXQUWTQ-UDWIEESQSA-N 0 2 478.888 4.300 40 10 JICBLN Cc1cc(C)cc(COc2ccccc2/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)c1 ZINC000408897033 570067345 /nfs/dbraw/zinc/06/73/45/570067345.db2.gz PWFBYXOTOKAYFQ-LPYMAVHISA-N 0 2 471.469 4.457 40 10 JICBLN CCCCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OC(C)C)c(OC)c3)C2=O)cc1 ZINC000408900511 570068196 /nfs/dbraw/zinc/06/81/96/570068196.db2.gz TZJFIHATCDZBLJ-ZHZULCJRSA-N 0 2 452.507 4.328 40 10 JICBLN CCCCOc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)ccc3O)C2=O)cc1 ZINC000408901118 570068507 /nfs/dbraw/zinc/06/85/07/570068507.db2.gz VWHRFLGXUOTDEW-ATVHPVEESA-N 0 2 459.296 4.000 40 10 JICBLN O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(N2CCCCCC2)o1 ZINC000408902291 570069283 /nfs/dbraw/zinc/06/92/83/570069283.db2.gz HARFHFKSILAWIO-GHRIWEEISA-N 0 2 458.312 4.089 40 10 JICBLN O=C1NC(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000408909591 570072040 /nfs/dbraw/zinc/07/20/40/570072040.db2.gz HGWDFYXDCYUKQX-VCHYOVAHSA-N 0 2 492.375 4.101 40 10 JICBLN O=C(COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc1Cl)Nc1ccccc1 ZINC000408911432 570072922 /nfs/dbraw/zinc/07/29/22/570072922.db2.gz NHNAWRSCAMMNTQ-YBFXNURJSA-N 0 2 493.878 4.163 40 10 JICBLN CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cccc(OCc4cccc(F)c4)c3)C2=O)cc1 ZINC000408934619 570080982 /nfs/dbraw/zinc/08/09/82/570080982.db2.gz FHYFXYXNGUPSQM-HAHDFKILSA-N 0 2 460.461 4.470 40 10 JICBLN O=C1NC(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1ccccc1OCc1ccc(Cl)cc1 ZINC000408939477 570082324 /nfs/dbraw/zinc/08/23/24/570082324.db2.gz MSFPRXKBPIRAFD-DEDYPNTBSA-N 0 2 477.860 4.494 40 10 JICBLN Cc1cc(C)cc(COc2ccccc2/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)c1 ZINC000408944786 570083283 /nfs/dbraw/zinc/08/32/83/570083283.db2.gz VEKLLWWFRFRSGU-HYARGMPZSA-N 0 2 471.469 4.457 40 10 JICBLN Cc1c(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c2ccccc2n1Cc1ccccc1 ZINC000408947940 570083714 /nfs/dbraw/zinc/08/37/14/570083714.db2.gz DUPYJZDYEHZEQC-HYARGMPZSA-N 0 2 479.492 4.393 40 10 JICBLN Cc1cccc(-n2cccc2/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c1 ZINC000408960162 570085568 /nfs/dbraw/zinc/08/55/68/570085568.db2.gz CURILWQXFLHAKM-CPNJWEJPSA-N 0 2 450.292 4.215 40 10 JICBLN CCOC(=O)c1cccc(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(c4ccc(CC)cc4)C3=O)c2C)c1 ZINC000408981927 570090943 /nfs/dbraw/zinc/09/09/43/570090943.db2.gz DXRDSGCYSOKIIW-JLPGSUDCSA-N 0 2 485.540 4.500 40 10 JICBLN CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)c(Br)cc1OC ZINC000408981605 570090948 /nfs/dbraw/zinc/09/09/48/570090948.db2.gz BYDSDTPDZHZGCA-YBEGLDIGSA-N 0 2 473.323 4.085 40 10 JICBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)c(OCC(C)C)c(Cl)c3)C2=O)cc1 ZINC000409043669 570108188 /nfs/dbraw/zinc/10/81/88/570108188.db2.gz SYKFXMLNIQLDLU-LZYBPNLTSA-N 0 2 491.327 4.481 40 10 JICBLN Cc1ccc(NC(=O)COc2cccc(/C=C3\C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)c2)cc1C ZINC000409251242 570185815 /nfs/dbraw/zinc/18/58/15/570185815.db2.gz OZUJRPSSLFTEQW-OEAKJJBVSA-N 0 2 487.487 4.126 40 10 JICBLN O=C(COc1cccc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)c1)Nc1ccccc1Cl ZINC000409256251 570186912 /nfs/dbraw/zinc/18/69/12/570186912.db2.gz KXGJRJZEMUSTCO-RGEXLXHISA-N 0 2 475.888 4.024 40 10 JICBLN Cc1cc(N2C(=O)NC(=O)C(=CNNc3cc(Cl)ccc3Cl)C2=O)c(C)cc1Br ZINC000408530139 570187491 /nfs/dbraw/zinc/18/74/91/570187491.db2.gz ITPKLPWHKGHXBV-XYOKQWHBSA-N 0 2 498.164 4.456 40 10 JICBLN Cc1ccc(NC(=O)COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)cc2)c(C)c1 ZINC000409273129 570189532 /nfs/dbraw/zinc/18/95/32/570189532.db2.gz VQKNEJSDHQOQQO-HYARGMPZSA-N 0 2 487.487 4.126 40 10 JICBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1OC(=O)c1cccc(C)c1 ZINC000408535974 570190209 /nfs/dbraw/zinc/19/02/09/570190209.db2.gz PHYLZIWVLCIEGK-KGENOOAVSA-N 0 2 470.481 4.198 40 10 JICBLN CCOc1ccc(N2C(=O)NC(=O)C(=CNc3ccc(Br)c(Cl)c3)C2=O)cc1 ZINC000408538333 570191084 /nfs/dbraw/zinc/19/10/84/570191084.db2.gz LFOYHAFWTBTUEM-GXDHUFHOSA-N 0 2 464.703 4.080 40 10 JICBLN O=C1NC(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccccc1I ZINC000408553430 570195796 /nfs/dbraw/zinc/19/57/96/570195796.db2.gz YYQLEYQRPHWAEE-YRNVUSSQSA-N 0 2 487.080 4.264 40 10 JICBLN O=C1NC(=O)N(c2ccccc2F)C(=O)C1=Cc1cc(Br)c(Br)o1 ZINC000059104935 195388369 /nfs/dbraw/zinc/38/83/69/195388369.db2.gz LOQFBYXXKMPKNA-VMPITWQZSA-N 0 2 458.037 4.450 40 10 JICBLN COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c2ccccc12 ZINC000015012508 523409181 /nfs/dbraw/zinc/40/91/81/523409181.db2.gz UIRAZKRTDNUBNZ-PDGQHHTCSA-N 0 2 451.276 4.277 40 10 JICBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4cccc([N+](=O)[O-])c4)cc3)C2=O)cc1 ZINC000006798454 554557990 /nfs/dbraw/zinc/55/79/90/554557990.db2.gz PAJASJDGZDCIML-HMAPJEAMSA-N 0 2 457.442 4.149 40 10 JICBLN O=C1NC(=O)N(c2cccc(Cl)c2Cl)C(=O)/C1=C\c1cccn1-c1cccc([N+](=O)[O-])c1 ZINC000009260109 555034494 /nfs/dbraw/zinc/03/44/94/555034494.db2.gz HPJRGBSFQBGXPJ-PTNGSMBKSA-N 0 2 471.256 4.359 40 10 JICBLN CN(C)c1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)o1 ZINC000009323934 555097054 /nfs/dbraw/zinc/09/70/54/555097054.db2.gz DJAPXYCNFWSGKB-UUYOSTAYSA-N 0 2 459.546 4.480 40 10 JICBLN Cc1ccccc1N1C(=O)NC(=O)C(=Cc2ccccc2OCc2cccc([N+](=O)[O-])c2)C1=O ZINC000014133103 555700619 /nfs/dbraw/zinc/70/06/19/555700619.db2.gz RPHKOXDQJKJFMR-XSFVSMFZSA-N 0 2 457.442 4.149 40 10 JICBLN COc1cc(C=C2C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)cc(I)c1O ZINC000059861295 569608030 /nfs/dbraw/zinc/60/80/30/569608030.db2.gz MIWUBQIREZEPBU-NTUHNPAUSA-N 0 2 492.269 4.129 40 10 JICBLN O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(Cl)c(OCc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000033850003 569636143 /nfs/dbraw/zinc/63/61/43/569636143.db2.gz ITLUHOYDRABWOR-ZDLGFXPLSA-N 0 2 467.840 4.428 40 10 JICBLN COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)c(Cl)c1OC(C)C ZINC000035387823 569686900 /nfs/dbraw/zinc/68/69/00/569686900.db2.gz IYVGPOKOAFTXJA-ZROIWOOFSA-N 0 2 465.731 4.360 40 10 JICBLN CC1=NN(c2cccc(Cl)c2)C(=O)C1=CNc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1 ZINC000100535708 569764047 /nfs/dbraw/zinc/76/40/47/569764047.db2.gz GAINBVXCMRKCDX-BKUYFWCQSA-N 0 2 496.980 4.266 40 10 JICBLN CC(Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)=C1C(C)=NN(c2ccc(F)cc2)C1=O ZINC000112297255 569861282 /nfs/dbraw/zinc/86/12/82/569861282.db2.gz RSSOZTKLONGUJU-JCMHNJIXSA-N 0 2 465.510 4.130 40 10 JICBLN C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C3\C(=O)NC(=O)N(c4ccc5c(c4)OCO5)C3=O)cc21 ZINC000208244229 569875197 /nfs/dbraw/zinc/87/51/97/569875197.db2.gz ASIVOMSEBBUHLZ-QOSBVPTNSA-N 0 2 481.936 4.457 40 10 JICBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3cc4c(cc3C)N(C)C(C)(C)C=C4C)C2=O)c(OC)c1 ZINC000208464021 569875519 /nfs/dbraw/zinc/87/55/19/569875519.db2.gz DJWTWAMWQXJFED-UDWIEESQSA-N 0 2 475.545 4.310 40 10 JICBLN COC(=O)c1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(c4cccc(C)c4C)C3=O)c2C)cc1 ZINC000408741996 570032436 /nfs/dbraw/zinc/03/24/36/570032436.db2.gz MIHMBKKASGKGSA-HMAPJEAMSA-N 0 2 471.513 4.164 40 10 JICBLN Cc1cc(C=C2C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000408773360 570039476 /nfs/dbraw/zinc/03/94/76/570039476.db2.gz IHVGURGKQADOHP-YZSQISJMSA-N 0 2 498.583 4.214 40 10 JICBLN O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(OCc2ccc3c(c2)OCO3)cc1 ZINC000408778972 570040917 /nfs/dbraw/zinc/04/09/17/570040917.db2.gz NVCZHBYUVXKGBS-RGVLZGJSSA-N 0 2 476.872 4.314 40 10 JICBLN COC(=O)c1ccc(C)c(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4cc(C)cc(C)c4)C3=O)c2C)c1 ZINC000408787950 570043611 /nfs/dbraw/zinc/04/36/11/570043611.db2.gz BHKWAVVFUGCEEG-YDZHTSKRSA-N 0 2 485.540 4.472 40 10 JICBLN CCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)cc1OC ZINC000408803173 570046543 /nfs/dbraw/zinc/04/65/43/570046543.db2.gz LZSFHYGRSMAQPP-OQLLNIDSSA-N 0 2 473.323 4.140 40 10 JICBLN CCCOc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc(CC)cc2)C1=O ZINC000408804065 570046738 /nfs/dbraw/zinc/04/67/38/570046738.db2.gz VKBGRQLWRAASMB-QGOAFFKASA-N 0 2 457.324 4.467 40 10 JICBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4cccc([N+](=O)[O-])c4)cc3)C2=O)c(C)c1 ZINC000408807284 570048038 /nfs/dbraw/zinc/04/80/38/570048038.db2.gz GVTKWWFMNGMICX-HYARGMPZSA-N 0 2 471.469 4.457 40 10 JICBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3OCc3cccc([N+](=O)[O-])c3)C2=O)cc1C ZINC000408816355 570050635 /nfs/dbraw/zinc/05/06/35/570050635.db2.gz YJTPKPYWMFNMKM-HYARGMPZSA-N 0 2 471.469 4.457 40 10 JICBLN Cc1c(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3C)C2=O)c2ccccc2n1C ZINC000408854127 570056156 /nfs/dbraw/zinc/05/61/56/570056156.db2.gz YFLOBZYPDSLTCE-BOPFTXTBSA-N 0 2 452.308 4.224 40 10 JICBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(Cl)c1Cc1cccc(F)c1 ZINC000408865032 570057852 /nfs/dbraw/zinc/05/78/52/570057852.db2.gz BGFIZKNHPNJMLQ-RGVLZGJSSA-N 0 2 480.879 4.451 40 10 JICBLN CCCOc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)c(OC)c(OCC)c3)C2=O)cc1 ZINC000408894285 570066625 /nfs/dbraw/zinc/06/66/25/570066625.db2.gz BZISXAFWJULFMN-BOPFTXTBSA-N 0 2 458.898 4.203 40 10 JICBLN COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3C)C2=O)ccc1OC(C)C ZINC000408897345 570067493 /nfs/dbraw/zinc/06/74/93/570067493.db2.gz IYWWRHOSMUHOQR-YBEGLDIGSA-N 0 2 473.323 4.220 40 10 JICBLN CCCOc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)c(O)c(OCC)c3)C2=O)cc1 ZINC000408898027 570067577 /nfs/dbraw/zinc/06/75/77/570067577.db2.gz KQMRPAMUWNSEIO-YBEGLDIGSA-N 0 2 489.322 4.009 40 10 JICBLN CC[C@@H](C)Oc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1OC ZINC000408902062 570069108 /nfs/dbraw/zinc/06/91/08/570069108.db2.gz FAOJSMJDAYIUMM-GFQQVXNGSA-N 0 2 491.313 4.441 40 10 JICBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(Br)c1OC(C)C ZINC000408903347 570069831 /nfs/dbraw/zinc/06/98/31/570069831.db2.gz RGFTUTFXBRMTTE-CXUHLZMHSA-N 0 2 491.313 4.441 40 10 JICBLN CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)C2=O)cc1 ZINC000408935556 570081299 /nfs/dbraw/zinc/08/12/99/570081299.db2.gz HUSNBKJHHPFPLC-HAHDFKILSA-N 0 2 487.468 4.239 40 10 JICBLN O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C\c1ccc(-c2ccc(Br)cc2)o1 ZINC000408949742 570083870 /nfs/dbraw/zinc/08/38/70/570083870.db2.gz ITADYQOWGFENKO-YBEGLDIGSA-N 0 2 481.258 4.104 40 10 JICBLN CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1O ZINC000408990648 570094014 /nfs/dbraw/zinc/09/40/14/570094014.db2.gz XVHGKHKPCAWSJL-MLPAPPSSSA-N 0 2 479.714 4.182 40 10 JICBLN Cc1nn(Cc2ccccc2)c(C)c1NC=C1C(=O)NC(=O)N(c2cccc3ccccc32)C1=O ZINC000408997036 570095540 /nfs/dbraw/zinc/09/55/40/570095540.db2.gz GBBUNSOSSIXHIP-PXLXIMEGSA-N 0 2 465.513 4.280 40 10 JICBLN Cc1cccc(NC(=O)COc2ccccc2/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)c1 ZINC000409049430 570109452 /nfs/dbraw/zinc/10/94/52/570109452.db2.gz WUVHHDKIZVNJSL-HZHRSRAPSA-N 0 2 483.524 4.296 40 10 JICBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)cc(Cl)c1OC ZINC000409069776 570117883 /nfs/dbraw/zinc/11/78/83/570117883.db2.gz WMSGKFGSSPJHSA-UXBLZVDNSA-N 0 2 455.681 4.330 40 10 JICBLN COc1cc(N2CCCC2)c(OC)cc1/C=C1\C(=O)NC(=O)N(c2cccc(Cl)c2Cl)C1=O ZINC000409103468 570129223 /nfs/dbraw/zinc/12/92/23/570129223.db2.gz HECQMCPRAAMXAG-GXDHUFHOSA-N 0 2 490.343 4.277 40 10 JICBLN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)c(O)c(Cl)c3)C2=O)cc1OC ZINC000409128631 570139183 /nfs/dbraw/zinc/13/91/83/570139183.db2.gz FXOHKTAUMCBONY-VGOFMYFVSA-N 0 2 479.316 4.158 40 10 JICBLN CCOc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccc(OC)cc4)C3=O)c2C)cc1 ZINC000409186472 570160696 /nfs/dbraw/zinc/16/06/96/570160696.db2.gz CLDCKZBLKHRBPN-HZHRSRAPSA-N 0 2 459.502 4.168 40 10 JICBLN CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cccc(OCC(=O)Nc4ccc(C)cc4)c3)C2=O)cc1 ZINC000409223118 570175161 /nfs/dbraw/zinc/17/51/61/570175161.db2.gz GNENRVROKKODGU-JLPGSUDCSA-N 0 2 499.523 4.078 40 10 JICBLN O=C(COc1cccc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c1)Nc1ccc(Cl)cc1 ZINC000409225760 570175808 /nfs/dbraw/zinc/17/58/08/570175808.db2.gz OPHNTBBTWURGOE-BKUYFWCQSA-N 0 2 493.878 4.163 40 10 JICBLN Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3C)C2=O)c(C)n1-c1ccccn1 ZINC000409229068 570176952 /nfs/dbraw/zinc/17/69/52/570176952.db2.gz JGVLUQZUYPGWIO-LDADJPATSA-N 0 2 479.334 4.226 40 10 JICBLN O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C\c1ccc2c(ccn2Cc2cccc(F)c2)c1 ZINC000409245644 570184083 /nfs/dbraw/zinc/18/40/83/570184083.db2.gz WXSGNRJAFTUBMW-MTJSOVHGSA-N 0 2 483.455 4.224 40 10 JICBLN Cc1ccc(NC(=O)COc2cccc(/C=C3/C(=O)NC(=O)N(c4ccccc4)C3=O)c2)cc1Cl ZINC000409258984 570187223 /nfs/dbraw/zinc/18/72/23/570187223.db2.gz WUBAMYHSXGIZHD-BKUYFWCQSA-N 0 2 489.915 4.332 40 10 JICBLN Cc1c(C)c(N2C(=O)NC(=O)C(=CNc3ccc([N+](=O)[O-])cc3Cl)C2=O)ccc1Br ZINC000408529916 570187418 /nfs/dbraw/zinc/18/74/18/570187418.db2.gz KMNLCKOBUIVEBI-XYOKQWHBSA-N 0 2 493.701 4.206 40 10 JICBLN Cc1ccccc1NC(=O)COc1ccccc1/C=C1\C(=O)NC(=O)N(c2cccc(Cl)c2)C1=O ZINC000409265275 570188314 /nfs/dbraw/zinc/18/83/14/570188314.db2.gz UGLZCQFNPUFUPN-DEDYPNTBSA-N 0 2 489.915 4.332 40 10 JICBLN CCc1ccccc1N1C(=O)NC(=O)C(=CNc2ccc(Cl)c(C(=O)OC(C)C)c2)C1=O ZINC000408532182 570188400 /nfs/dbraw/zinc/18/84/00/570188400.db2.gz MBOFHEMAQPZFNK-SFQUDFHCSA-N 0 2 455.898 4.046 40 10 JICBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3OC(=O)C=Cc3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000408534106 570189374 /nfs/dbraw/zinc/18/93/74/570189374.db2.gz LIECIXMZMOUMON-CEFCJMCMSA-N 0 2 497.463 4.188 40 10 JICBLN O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)C1=Cc1cccn1-c1ccc(Br)cc1 ZINC000059105021 195388584 /nfs/dbraw/zinc/38/85/84/195388584.db2.gz BHSLKQWFDSZMBO-LICLKQGHSA-N 0 2 480.274 4.475 40 10 JICBLN CC(=C\c1ccccc1)/C=C1\SC(=S)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2O)C1=O ZINC000008820627 519349277 /nfs/dbraw/zinc/34/92/77/519349277.db2.gz JOYLCICRYRTRFA-LDFNIPPCSA-N 0 2 455.517 4.087 40 10 JICBLN COc1ccc(C=C2C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1[N+](=O)[O-] ZINC000059861350 569607941 /nfs/dbraw/zinc/60/79/41/569607941.db2.gz FNDZNNQIDTYFID-MDWZMJQESA-N 0 2 460.240 4.181 40 10 JICBLN O=C(CCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)Nc1cc([N+](=O)[O-])ccc1O ZINC000036716410 569780454 /nfs/dbraw/zinc/78/04/54/569780454.db2.gz JNBQEJNUKABFIQ-CXUHLZMHSA-N 0 2 463.924 4.184 40 10 JICBLN CCCc1[nH]n(-c2ccc(F)cc2)c(=O)c1C(C)=Nc1cc(C(=O)OC)ccc1C(=O)OC ZINC000103919262 569839102 /nfs/dbraw/zinc/83/91/02/569839102.db2.gz PZGYOMCAJFCHEY-STZFKDTASA-N 0 2 453.470 4.288 40 10 JICBLN CCCC1=NN(c2ccc(F)cc2)C(=O)C1C(C)=Nc1cc(C(=O)OC)ccc1C(=O)OC ZINC000103919262 569839104 /nfs/dbraw/zinc/83/91/04/569839104.db2.gz PZGYOMCAJFCHEY-STZFKDTASA-N 0 2 453.470 4.288 40 10 JICBLN Cc1nn(C(=O)c2ccncc2)c(C)c1/N=N\c1ccc(S(=O)(=O)Nc2ccccn2)cc1 ZINC000104201063 569843040 /nfs/dbraw/zinc/84/30/40/569843040.db2.gz PZBNHOKAHAZCLJ-QPLCGJKRSA-N 0 2 461.507 4.195 40 10 JICBLN COC(=O)c1cccc(Cn2cc(/C=C3\C(=O)NC(=O)N(c4ccc(C)cc4)C3=O)c3ccccc32)c1 ZINC000107843002 569857676 /nfs/dbraw/zinc/85/76/76/569857676.db2.gz GQKNKBYTLUHDKK-BUVRLJJBSA-N 0 2 493.519 4.451 40 10 JICBLN CCN1c2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(OC)cc4OC)C3=O)cc2C(C)=CC1(C)C ZINC000208512402 569875717 /nfs/dbraw/zinc/87/57/17/569875717.db2.gz KKRVQKUCVMNAGQ-DEDYPNTBSA-N 0 2 475.545 4.392 40 10 JICBLN Cc1cccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)C2=O)c1 ZINC000208668356 569875847 /nfs/dbraw/zinc/87/58/47/569875847.db2.gz MTHLNZRPWQYNFG-WJDWOHSUSA-N 0 2 451.822 4.483 40 10 JICBLN COC(=O)c1cccc(-c2ccc(/C=C3\C(=O)NC(=O)N(c4cc(C)cc(C)c4)C3=O)o2)c1C ZINC000408779278 570040868 /nfs/dbraw/zinc/04/08/68/570040868.db2.gz CQDXHWTXAOQAFT-FYJGNVAPSA-N 0 2 458.470 4.325 40 10 JICBLN COC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)c2C)c1 ZINC000408779212 570040911 /nfs/dbraw/zinc/04/09/11/570040911.db2.gz BUGAUUNKICCXGF-FYJGNVAPSA-N 0 2 477.904 4.201 40 10 JICBLN O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccccc1OCc1cccc([N+](=O)[O-])c1 ZINC000408780212 570041380 /nfs/dbraw/zinc/04/13/80/570041380.db2.gz VLADSVQQIOMUDZ-DEDYPNTBSA-N 0 2 477.860 4.494 40 10 JICBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000408781817 570041910 /nfs/dbraw/zinc/04/19/10/570041910.db2.gz DZIGRBNUEJBAPX-KGENOOAVSA-N 0 2 457.442 4.149 40 10 JICBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OC)cc3OCc3cccc(C)c3)C2=O)cc1 ZINC000408808626 570048456 /nfs/dbraw/zinc/04/84/56/570048456.db2.gz MSOLATWRKHZERU-OEAKJJBVSA-N 0 2 472.497 4.258 40 10 JICBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc(Br)c1OC ZINC000408809315 570048665 /nfs/dbraw/zinc/04/86/65/570048665.db2.gz KZBXPSFVIMANCY-KPKJPENVSA-N 0 2 479.714 4.095 40 10 JICBLN COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)c(OCc2cccc(C)c2)c1 ZINC000408816274 570050545 /nfs/dbraw/zinc/05/05/45/570050545.db2.gz TVBYFWFOJFUPOZ-WSDLNYQXSA-N 0 2 487.468 4.157 40 10 JICBLN O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000408819636 570051639 /nfs/dbraw/zinc/05/16/39/570051639.db2.gz ZUILCKLVSMDJAZ-CIAFOILYSA-N 0 2 477.860 4.494 40 10 JICBLN Cc1cc(Br)ccc1N1C(=O)NC(=O)C(=Cc2ccc(N3CCCCC3)cc2)C1=O ZINC000408851708 570055704 /nfs/dbraw/zinc/05/57/04/570055704.db2.gz MXECNVIHSNIZMA-RGEXLXHISA-N 0 2 468.351 4.414 40 10 JICBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)c(Br)c(Cl)c1O ZINC000408853627 570055986 /nfs/dbraw/zinc/05/59/86/570055986.db2.gz VHXNSCOKKGMMDZ-RIYZIHGNSA-N 0 2 493.741 4.490 40 10 JICBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)c(Br)o3)C2=O)cc1C ZINC000408857616 570056793 /nfs/dbraw/zinc/05/67/93/570056793.db2.gz OWLAFNUWPVSRSN-WUXMJOGZSA-N 0 2 468.101 4.088 40 10 JICBLN CCc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc(OC(C)C)c(Br)c2)C1=O ZINC000408871143 570059702 /nfs/dbraw/zinc/05/97/02/570059702.db2.gz WEPWWSGKFSIZJJ-WJDWOHSUSA-N 0 2 457.324 4.465 40 10 JICBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(Cc4cc(C)cc(C)c4)c(OC)c3)C2=O)cc1 ZINC000408878486 570062017 /nfs/dbraw/zinc/06/20/17/570062017.db2.gz BEZSHVBKXGZOMP-BUVRLJJBSA-N 0 2 498.535 4.356 40 10 JICBLN CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4ccccc4F)c(OC)c3)C2=O)cc1 ZINC000408879945 570062542 /nfs/dbraw/zinc/06/25/42/570062542.db2.gz HZIZUSYODZUAKY-KGENOOAVSA-N 0 2 490.487 4.478 40 10 JICBLN CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(Cc4ccccc4F)c(OC)c3)C2=O)cc1 ZINC000408881774 570063132 /nfs/dbraw/zinc/06/31/32/570063132.db2.gz MBIVGZXEWNLBOS-HYARGMPZSA-N 0 2 474.488 4.490 40 10 JICBLN CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OC)cc3OCc3cccc(F)c3)C2=O)cc1 ZINC000408883662 570063681 /nfs/dbraw/zinc/06/36/81/570063681.db2.gz UGJAOWLQVWRGAC-OEAKJJBVSA-N 0 2 490.487 4.478 40 10 JICBLN CCCCOc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)c(O)c(OCC)c3)C2=O)cc1 ZINC000408893523 570066431 /nfs/dbraw/zinc/06/64/31/570066431.db2.gz AXELWHVKMDEMFS-BOPFTXTBSA-N 0 2 458.898 4.290 40 10 JICBLN Cc1cc(Br)ccc1N1C(=O)NC(=O)C(=Cc2c(O)ccc3ccccc32)C1=O ZINC000408896687 570067275 /nfs/dbraw/zinc/06/72/75/570067275.db2.gz HJRMEQSIWCRQJH-BOPFTXTBSA-N 0 2 451.276 4.283 40 10 JICBLN COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)c(OCc2cccc(F)c2)c1 ZINC000408896843 570067329 /nfs/dbraw/zinc/06/73/29/570067329.db2.gz UFDPDWWTVMOGIA-LPYMAVHISA-N 0 2 460.461 4.388 40 10 JICBLN CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3OCc3cccc(F)c3)C2=O)cc1 ZINC000408899975 570068100 /nfs/dbraw/zinc/06/81/00/570068100.db2.gz 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/nfs/dbraw/zinc/04/10/63/570041063.db2.gz DVWKZZPNQZBTIY-CXUHLZMHSA-N 0 2 473.323 4.140 40 10 JICBLN Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1C ZINC000408786555 570043292 /nfs/dbraw/zinc/04/32/92/570043292.db2.gz KMRBXBIDPLDJJR-FYJGNVAPSA-N 0 2 458.474 4.286 40 10 JICBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3OCc3ccc(C)c(C)c3)C2=O)cc1 ZINC000408796552 570044507 /nfs/dbraw/zinc/04/45/07/570044507.db2.gz AKXBTQKOOQEHHS-HZHRSRAPSA-N 0 2 484.508 4.335 40 10 JICBLN CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000408798837 570044911 /nfs/dbraw/zinc/04/49/11/570044911.db2.gz FXTPLOUGLCQLHH-PXLXIMEGSA-N 0 2 487.468 4.239 40 10 JICBLN CCOC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4ccc(C)cc4)cc3)C2=O)cc1 ZINC000408801713 570045799 /nfs/dbraw/zinc/04/57/99/570045799.db2.gz VIWLLMVJXFFQRW-LFVJCYFKSA-N 0 2 484.508 4.417 40 10 JICBLN CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1OCC ZINC000408804287 570046863 /nfs/dbraw/zinc/04/68/63/570046863.db2.gz XBPKXCSOCGHTBN-SFQUDFHCSA-N 0 2 473.323 4.303 40 10 JICBLN O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1cc(Cl)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408807184 570048008 /nfs/dbraw/zinc/04/80/08/570048008.db2.gz KNVOCXCEKQPHMI-UDWIEESQSA-N 0 2 493.859 4.199 40 10 JICBLN O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000408808425 570048273 /nfs/dbraw/zinc/04/82/73/570048273.db2.gz ITGBFZQXHCSVBE-FYJGNVAPSA-N 0 2 493.313 4.400 40 10 JICBLN CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc1Br ZINC000408810206 570048887 /nfs/dbraw/zinc/04/88/87/570048887.db2.gz JDZUWYGSZKWUFZ-SFQUDFHCSA-N 0 2 457.324 4.467 40 10 JICBLN O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408816010 570050478 /nfs/dbraw/zinc/05/04/78/570050478.db2.gz QPLQXZWBWIZAGX-UDWIEESQSA-N 0 2 477.860 4.494 40 10 JICBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(Cl)c1OCc1ccc(F)cc1 ZINC000408816199 570050598 /nfs/dbraw/zinc/05/05/98/570050598.db2.gz RFAGKUCZZVSNNY-VXLYETTFSA-N 0 2 496.878 4.439 40 10 JICBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OC)cc3OCc3ccc(F)cc3)C2=O)cc1 ZINC000408816875 570050798 /nfs/dbraw/zinc/05/07/98/570050798.db2.gz SNTHTUXTCLZGGK-LPYMAVHISA-N 0 2 476.460 4.088 40 10 JICBLN COC(=O)c1ccc(C)c(-c2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(C)c(C)c4)C3=O)o2)c1 ZINC000408851733 570055708 /nfs/dbraw/zinc/05/57/08/570055708.db2.gz FNAZMTCQNPFFBG-FYJGNVAPSA-N 0 2 458.470 4.325 40 10 JICBLN Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)c(C)n1-c1ccc2c(c1)OCO2 ZINC000408853473 570055983 /nfs/dbraw/zinc/05/59/83/570055983.db2.gz UEQXEKGYFNSLLZ-SRZZPIQSSA-N 0 2 457.486 4.106 40 10 JICBLN COC(=O)c1ccc(C)c(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccc(C)c(C)c4)C3=O)c2C)c1 ZINC000408854418 570056100 /nfs/dbraw/zinc/05/61/00/570056100.db2.gz FLSOBWCOBDNONA-YDZHTSKRSA-N 0 2 485.540 4.472 40 10 JICBLN CC(=O)Oc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccc(C)c(C)c4)C3=O)c2C)cc1 ZINC000408856992 570056629 /nfs/dbraw/zinc/05/66/29/570056629.db2.gz KDPCMTPGRBYGJC-ZVHZXABRSA-N 0 2 471.513 4.303 40 10 JICBLN CCc1ccccc1N1C(=O)NC(=O)C(=Cc2ccccc2OCc2ccc([N+](=O)[O-])cc2)C1=O ZINC000408870453 570059554 /nfs/dbraw/zinc/05/95/54/570059554.db2.gz DVXBIFBWTMCONT-QNGOZBTKSA-N 0 2 471.469 4.403 40 10 JICBLN COc1ccc(Br)cc1/C=C1/C(=O)NC(=O)N(c2ccc(Br)cc2C)C1=O ZINC000408892913 570066291 /nfs/dbraw/zinc/06/62/91/570066291.db2.gz AJPFRZCXYQLBFU-ZROIWOOFSA-N 0 2 494.139 4.195 40 10 JICBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OC)cc3OCc3cccc(F)c3)C2=O)cc1 ZINC000408897143 570067499 /nfs/dbraw/zinc/06/74/99/570067499.db2.gz WDEUGFOXKOEGMG-LPYMAVHISA-N 0 2 476.460 4.088 40 10 JICBLN O=C(COc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O)Nc1ccc(F)cc1 ZINC000408901407 570068728 /nfs/dbraw/zinc/06/87/28/570068728.db2.gz XVWGWZKRWYUNJU-DEDYPNTBSA-N 0 2 493.878 4.163 40 10 JICBLN Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)c(C)n1-c1ccc(C)c([N+](=O)[O-])c1 ZINC000408908867 570071621 /nfs/dbraw/zinc/07/16/21/570071621.db2.gz DRAMORWPHPHULV-KEBDBYFISA-N 0 2 462.437 4.116 40 10 JICBLN Cc1ccc(NC(=O)Cn2cc(/C=C3\C(=O)NC(=O)N(c4cccc(F)c4)C3=O)c3ccccc32)cc1 ZINC000408915604 570075197 /nfs/dbraw/zinc/07/51/97/570075197.db2.gz YIXGGUHOVWZQPD-YDZHTSKRSA-N 0 2 496.498 4.394 40 10 JICBLN O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cccn1-c1ccccc1F ZINC000408963016 570086583 /nfs/dbraw/zinc/08/65/83/570086583.db2.gz XICQQXQWWDQJLH-FOWTUZBSSA-N 0 2 454.255 4.045 40 10 JICBLN Cc1nnc(Sc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(C)c(C)c4)C3=O)cc2[N+](=O)[O-])s1 ZINC000408987411 570092866 /nfs/dbraw/zinc/09/28/66/570092866.db2.gz AZWVCEFIJOVIPQ-CXUHLZMHSA-N 0 2 495.542 4.189 40 10 JICBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)cc(Cl)c3O)C2=O)cc1Cl ZINC000408988903 570093390 /nfs/dbraw/zinc/09/33/90/570093390.db2.gz SBQJZZPVWUFTMP-LFYBBSHMSA-N 0 2 470.106 4.436 40 10 JICBLN Cc1cccc(Cn2cc(/C=C3\C(=O)NC(=O)N(c4ccc5c(c4)OCO5)C3=O)c3ccccc32)c1 ZINC000408998224 570095804 /nfs/dbraw/zinc/09/58/04/570095804.db2.gz ILMMTVZJWBSJSF-WSDLNYQXSA-N 0 2 479.492 4.393 40 10 JICBLN O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C/c1cccn1-c1cccc(Br)c1 ZINC000409021266 570103013 /nfs/dbraw/zinc/10/30/13/570103013.db2.gz ZRNNZHJXHAUPPB-FOWTUZBSSA-N 0 2 454.255 4.045 40 10 JICBLN Cc1ccc(Cl)cc1N1C(=O)NC(=O)C(=Cc2cccc(OS(=O)(=O)c3ccccc3)c2)C1=O ZINC000409063602 570115497 /nfs/dbraw/zinc/11/54/97/570115497.db2.gz CUUMCXDUBCNNBH-MOSHPQCFSA-N 0 2 496.928 4.083 40 10 JICBLN O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409081204 570121686 /nfs/dbraw/zinc/12/16/86/570121686.db2.gz NCWAUFMVTWPNFM-GZTJUZNOSA-N 0 2 492.375 4.101 40 10 JICBLN Cc1c(C)c(N2C(=O)NC(=O)C(=CNc3ccc(F)c(Cl)c3)C2=O)ccc1Br ZINC000408527173 570186275 /nfs/dbraw/zinc/18/62/75/570186275.db2.gz CXBPJSGVUXVLIH-XYOKQWHBSA-N 0 2 466.694 4.437 40 10 JICBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3OC(=O)C=Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000408529988 570187442 /nfs/dbraw/zinc/18/74/42/570187442.db2.gz DNVIFWBASLSRLD-ONBHANDSSA-N 0 2 497.463 4.188 40 10 JICBLN Cc1c(Cl)cccc1N1C(=O)NC(=O)C(=Cc2cccc(OCC(=O)Nc3ccccc3)c2)C1=O ZINC000409265361 570188310 /nfs/dbraw/zinc/18/83/10/570188310.db2.gz HUKYJJQIOLULED-ZHZULCJRSA-N 0 2 489.915 4.332 40 10 JICBLN Cc1ccc(C)c(NC(=O)COc2ccccc2/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c1 ZINC000409267951 570188742 /nfs/dbraw/zinc/18/87/42/570188742.db2.gz YFXUAPAEQBORBO-KGENOOAVSA-N 0 2 487.487 4.126 40 10 JICBLN Cc1cccc(N2C(=O)NC(=O)C(=Cc3ccccc3OC(=O)C=Cc3ccc([N+](=O)[O-])cc3)C2=O)c1 ZINC000408537820 570190872 /nfs/dbraw/zinc/19/08/72/570190872.db2.gz XKUWJGYDOBKEED-CEFCJMCMSA-N 0 2 497.463 4.188 40 10 JICBLN COC(=O)c1cccc(Cn2cc(/C=C3\C(=O)NC(=O)N(c4ccccc4)C3=O)c3ccccc32)c1 ZINC000408541150 570191504 /nfs/dbraw/zinc/19/15/04/570191504.db2.gz BSRZHFFZLGKXBG-HZHRSRAPSA-N 0 2 479.492 4.143 40 10 JICBLN CCn1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3C)C2=O)c2ccccc21 ZINC000001050291 194009821 /nfs/dbraw/zinc/00/98/21/194009821.db2.gz PFFDUOXAPRBYKT-GZTJUZNOSA-N 0 2 452.308 4.399 40 10 JICBLN O=C1NN(c2cccc(Cl)c2)C(=O)/C1=C\c1cc(Br)cc(Br)c1O ZINC000016398891 527080541 /nfs/dbraw/zinc/08/05/41/527080541.db2.gz NPWDBFMYLLMPMX-XGICHPGQSA-N 0 2 472.520 4.032 40 10 JICBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)ccc1OCc1cccc(F)c1 ZINC000014132747 555700284 /nfs/dbraw/zinc/70/02/84/555700284.db2.gz SKLRVFNDNXLTRW-DEDYPNTBSA-N 0 2 460.461 4.388 40 10 JICBLN CCOc1ccccc1NC(C)=C1C(=O)N(c2nc3ccccc3s2)N=C1CC(=O)OC ZINC000020287626 555756162 /nfs/dbraw/zinc/75/61/62/555756162.db2.gz LRKFYPUQWQFFIA-STZFKDTASA-N 0 2 450.520 4.347 40 10 JICBLN CCOc1c(Br)c(Br)c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1OC ZINC000033626889 569629105 /nfs/dbraw/zinc/62/91/05/569629105.db2.gz UPCFQJAGELFRAW-LCYFTJDESA-N 0 2 496.155 4.080 40 10 JICBLN N#Cc1ccccc1COc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)cc1[N+](=O)[O-] ZINC000107537456 569856498 /nfs/dbraw/zinc/85/64/98/569856498.db2.gz PTPZLVBWZJJUED-JAIQZWGSSA-N 0 2 474.860 4.160 40 10 JICBLN CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccc(C)cc4)C3=O)c2C)c1 ZINC000408768290 570038472 /nfs/dbraw/zinc/03/84/72/570038472.db2.gz DZFHAHJXEHVTJJ-HZHRSRAPSA-N 0 2 471.513 4.246 40 10 JICBLN CCOc1cccc(N2C(=O)NC(=O)C(=Cc3cc(C)n(-c4cccc([N+](=O)[O-])c4)c3C)C2=O)c1 ZINC000408773050 570039467 /nfs/dbraw/zinc/03/94/67/570039467.db2.gz PFGRYYOPNPBNLG-WSDLNYQXSA-N 0 2 474.473 4.067 40 10 JICBLN Cc1cc(C=C2C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)c(C)n1-c1ccc2c(c1)OCO2 ZINC000408781177 570041507 /nfs/dbraw/zinc/04/15/07/570041507.db2.gz AJIDBKUPUBDBRY-SRZZPIQSSA-N 0 2 457.486 4.106 40 10 JICBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)c(C)c1 ZINC000408797340 570044688 /nfs/dbraw/zinc/04/46/88/570044688.db2.gz CLVVQTDFTLTDLC-KGENOOAVSA-N 0 2 471.469 4.457 40 10 JICBLN CCOC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3OCc3ccc(F)cc3)C2=O)cc1 ZINC000408806152 570047570 /nfs/dbraw/zinc/04/75/70/570047570.db2.gz AXVROBODAJXCHM-PXLXIMEGSA-N 0 2 488.471 4.248 40 10 JICBLN O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1ccc(OCc2ccccc2)c(Cl)c1 ZINC000408806731 570047742 /nfs/dbraw/zinc/04/77/42/570047742.db2.gz BMCMIPNUHAVDIJ-YBFXNURJSA-N 0 2 477.860 4.494 40 10 JICBLN CCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc1OC ZINC000408813738 570049746 /nfs/dbraw/zinc/04/97/46/570049746.db2.gz OUCNMLPNONWCQV-MDWZMJQESA-N 0 2 493.741 4.485 40 10 JICBLN CCCOc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2ccc(C(=O)OC)cc2)C1=O ZINC000408819467 570051540 /nfs/dbraw/zinc/05/15/40/570051540.db2.gz XERRFYBPAZNDMK-RCCKNPSSSA-N 0 2 458.470 4.082 40 10 JICBLN COc1cc(N2C(=O)NC(=O)C(=Cc3cc(Cl)ccc3OC(C)C)C2=O)c(OC)cc1Cl ZINC000408836424 570053133 /nfs/dbraw/zinc/05/31/33/570053133.db2.gz RATBKQOJSOEKRD-RIYZIHGNSA-N 0 2 479.316 4.464 40 10 JICBLN COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)c(Cc2cc(C)cc(C)c2)c1 ZINC000408879251 570062382 /nfs/dbraw/zinc/06/23/82/570062382.db2.gz CKMIQMJSKNNUGI-BUVRLJJBSA-N 0 2 456.498 4.275 40 10 JICBLN CCCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OC(C)C)c(OCC)c3)C2=O)cc1 ZINC000408898002 570067556 /nfs/dbraw/zinc/06/75/56/570067556.db2.gz KJKDRFBBZCHPGM-ZHZULCJRSA-N 0 2 452.507 4.328 40 10 JICBLN Cc1cc(N2CCCCC2)ccc1/C=C1\C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O ZINC000408902799 570069515 /nfs/dbraw/zinc/06/95/15/570069515.db2.gz LJMYVRGNTYYCFU-XSFVSMFZSA-N 0 2 468.351 4.414 40 10 JICBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c(Cl)cc1OC ZINC000408903601 570070013 /nfs/dbraw/zinc/07/00/13/570070013.db2.gz UDQVITQIPHGZOB-RIYZIHGNSA-N 0 2 479.714 4.176 40 10 JICBLN CC[C@@H](C)Oc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1Br ZINC000408903663 570070136 /nfs/dbraw/zinc/07/01/36/570070136.db2.gz VUACIAKZOKCAQH-HMHNVIDESA-N 0 2 461.287 4.432 40 10 JICBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)ccc1O ZINC000408940831 570082526 /nfs/dbraw/zinc/08/25/26/570082526.db2.gz VGSPWOADXXPCDD-XDHOZWIPSA-N 0 2 478.888 4.300 40 10 JICBLN CCc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)c(O)c(Br)c3)C2=O)cc1 ZINC000408990612 570093974 /nfs/dbraw/zinc/09/39/74/570093974.db2.gz XPNHQNHIYJNXTE-QPEQYQDCSA-N 0 2 494.139 4.146 40 10 JICBLN O=C1/C(=C/c2cc(Br)c(O)c(Br)c2)SC(=S)N1C[C@@H]1CCCO1 ZINC000409079995 570121346 /nfs/dbraw/zinc/12/13/46/570121346.db2.gz KNQNSGBNPYPKHB-TXEUWIOXSA-N 0 2 479.215 4.297 40 10 JICBLN CCCCOC(=O)c1cc(NC=C2C(=O)NC(=O)N(c3ccc(OCC)cc3)C2=O)ccc1Cl ZINC000408526570 570186107 /nfs/dbraw/zinc/18/61/07/570186107.db2.gz COKPFYBKWHXHKN-XMHGGMMESA-N 0 2 485.924 4.274 40 10 JICBLN Cc1c(C)c(N2C(=O)NC(=O)C(=CNC(=O)Nc3cccc(Cl)c3)C2=O)ccc1Br ZINC000408527208 570186250 /nfs/dbraw/zinc/18/62/50/570186250.db2.gz FKPMDZQJICVYMY-NTEUORMPSA-N 0 2 491.729 4.008 40 10 JICBLN CCn1c2cc(N=CC3C(=O)N(c4ccc(C)cc4C)N=C3C)c([N+](=O)[O-])cc2n(CC)c1=O ZINC000408526881 570186253 /nfs/dbraw/zinc/18/62/53/570186253.db2.gz DIYWPYSHOISNCW-LGMDPLHJSA-N 0 2 462.510 4.086 40 10 JICBLN CC1=NN(c2ccc(Br)c(C)c2C)C(=O)C1C=Nc1cc2[nH]c(=O)[nH]c2cc1[N+](=O)[O-] ZINC000408527321 570186445 /nfs/dbraw/zinc/18/64/45/570186445.db2.gz DIDUGTGHAGDVRH-WQLSENKSSA-N 0 2 485.298 4.275 40 10 JICBLN CCOc1cccc(N2C(=O)/C(=C\c3cc(Cl)cc(Br)c3O)C(=O)NC2=S)c1 ZINC000032138989 556432733 /nfs/dbraw/zinc/43/27/33/556432733.db2.gz CCYQSDAEFPAZJN-AUWJEWJLSA-N 0 2 481.755 4.038 40 10 JICBLN CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc([N+](=O)[O-])c1OCc1cccc(F)c1 ZINC000034765800 569658419 /nfs/dbraw/zinc/65/84/19/569658419.db2.gz ZIGLRSNWVOWHFV-NDENLUEZSA-N 0 2 477.448 4.173 40 10 JICBLN O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(Br)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000034794790 569660769 /nfs/dbraw/zinc/66/07/69/569660769.db2.gz VEJSBQYJJHYTLD-BOPFTXTBSA-N 0 2 481.262 4.006 40 10 JICBLN CC(=O)[C@H](N=Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)C(=O)Nc1ccc(Cl)cc1 ZINC000104124176 569841487 /nfs/dbraw/zinc/84/14/87/569841487.db2.gz OTMZOLCCZBOOSN-DDJBQFQUSA-N 0 2 471.926 4.216 40 10 JICBLN O=C(COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1)Nc1ccccc1F ZINC000107832034 569857625 /nfs/dbraw/zinc/85/76/25/569857625.db2.gz IYGTXEXGULESEE-UYRXBGFRSA-N 0 2 493.878 4.163 40 10 JICBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3cc4c(cc3C)N(C)C(C)(C)C[C@H]4C)C2=O)c(OC)c1 ZINC000208228767 569875028 /nfs/dbraw/zinc/87/50/28/569875028.db2.gz YDIBXBGCGIAHII-DDLUMYACSA-N 0 2 477.561 4.401 40 10 JICBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3cc4c(cc3C)N(C)C(C)(C)C[C@@H]4C)C2=O)c(OC)c1 ZINC000208228812 569875031 /nfs/dbraw/zinc/87/50/31/569875031.db2.gz YDIBXBGCGIAHII-DORSJAEJSA-N 0 2 477.561 4.401 40 10 JICBLN C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C3\C(=O)NC(=O)N(c4ccc5c(c4)OCO5)C3=O)cc21 ZINC000208244269 569875195 /nfs/dbraw/zinc/87/51/95/569875195.db2.gz ASIVOMSEBBUHLZ-TVYFDWKESA-N 0 2 481.936 4.457 40 10 JICBLN CCN1c2cc(C)c(/C=C3\C(=O)NC(=O)N(c4ccc5c(c4)OCO5)C3=O)cc2C(C)=CC1(C)C ZINC000208517515 569875665 /nfs/dbraw/zinc/87/56/65/569875665.db2.gz AZQLSZANVDAKAR-RGVLZGJSSA-N 0 2 473.529 4.412 40 10 JICBLN CC1=CC(C)(C)N(C(C)C)c2ccc(/C=C3\C(=O)NC(=O)N(c4ccc5c(c4)OCO5)C3=O)cc21 ZINC000223489308 569913229 /nfs/dbraw/zinc/91/32/29/569913229.db2.gz PAWHNEHDPFCIBY-RGVLZGJSSA-N 0 2 473.529 4.492 40 10 JICBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4ccc(Br)cc4)o3)C2=O)cc1 ZINC000408740116 570031811 /nfs/dbraw/zinc/03/18/11/570031811.db2.gz IHNBHJBKEZSXEP-PDGQHHTCSA-N 0 2 467.275 4.384 40 10 JICBLN CCOc1ccc(N2C(=O)NC(=O)C(=Cc3c(C)nn(-c4ccc(C)c(C)c4)c3C)C2=O)cc1 ZINC000408757732 570035920 /nfs/dbraw/zinc/03/59/20/570035920.db2.gz PRDIPUYZLOCNJV-OEAKJJBVSA-N 0 2 458.518 4.171 40 10 JICBLN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)c1C ZINC000408784979 570042776 /nfs/dbraw/zinc/04/27/76/570042776.db2.gz DXSTYTXWNXYRDO-CIAFOILYSA-N 0 2 488.500 4.294 40 10 JICBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4ccc(C)cc4)cc3)C2=O)cc1 ZINC000408802229 570046191 /nfs/dbraw/zinc/04/61/91/570046191.db2.gz XTMSHVBTVRVNGF-HZHRSRAPSA-N 0 2 470.481 4.027 40 10 JICBLN O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1ccccc1OCc1ccc(Cl)cc1 ZINC000408803236 570046440 /nfs/dbraw/zinc/04/64/40/570046440.db2.gz MTYZOSYNKSTKON-UDWIEESQSA-N 0 2 477.860 4.494 40 10 JICBLN Cc1cccc(N2C(=O)NC(=O)C(=Cc3ccccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)c1 ZINC000408803223 570046497 /nfs/dbraw/zinc/04/64/97/570046497.db2.gz MQQMBMGXJNHVDS-KGENOOAVSA-N 0 2 457.442 4.149 40 10 JICBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4cccc([N+](=O)[O-])c4)cc3)C2=O)cc1C ZINC000408804279 570046869 /nfs/dbraw/zinc/04/68/69/570046869.db2.gz WZURHUWVFCRYOD-OEAKJJBVSA-N 0 2 471.469 4.457 40 10 JICBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)ccc1OCc1cccc(Cl)c1 ZINC000408806100 570047579 /nfs/dbraw/zinc/04/75/79/570047579.db2.gz ARQXDXNHWCVAOT-UDWIEESQSA-N 0 2 478.888 4.300 40 10 JICBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(Br)c1OC(C)C ZINC000408812028 570049410 /nfs/dbraw/zinc/04/94/10/570049410.db2.gz KZZIMKQWEKDVGE-CXUHLZMHSA-N 0 2 489.322 4.007 40 10 JICBLN CCc1ccccc1N1C(=O)NC(=O)C(=Cc2cccn2-c2ccc(Br)cc2)C1=O ZINC000408820564 570051906 /nfs/dbraw/zinc/05/19/06/570051906.db2.gz YQBPGDJMUSEQOU-XMHGGMMESA-N 0 2 464.319 4.469 40 10 JICBLN CCCOc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2cc(OC)c(Cl)cc2OC)C1=O ZINC000408827955 570052490 /nfs/dbraw/zinc/05/24/90/570052490.db2.gz VMADJNBNHBKCHP-NTEUORMPSA-N 0 2 479.316 4.466 40 10 JICBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(Cc4ccccc4Cl)cc3)C2=O)cc1 ZINC000408865745 570058081 /nfs/dbraw/zinc/05/80/81/570058081.db2.gz DYTKLHMUCFNMOH-RCCKNPSSSA-N 0 2 474.900 4.384 40 10 JICBLN Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(C)cc4C)C3=O)cc2)cc1 ZINC000408883439 570063683 /nfs/dbraw/zinc/06/36/83/570063683.db2.gz STIHSHFZSQXFPT-PXLXIMEGSA-N 0 2 490.537 4.046 40 10 JICBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)ccc1OCc1ccccc1F ZINC000408910926 570072547 /nfs/dbraw/zinc/07/25/47/570072547.db2.gz MAHPNHRSRPMHBT-YBFXNURJSA-N 0 2 464.424 4.219 40 10 JICBLN COC(=O)c1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)cc1 ZINC000408934220 570080924 /nfs/dbraw/zinc/08/09/24/570080924.db2.gz CZYGOPYLATUCSS-KGENOOAVSA-N 0 2 490.899 4.372 40 10 JICBLN Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c(C)n1-c1cccc(Cl)c1C ZINC000408953335 570084455 /nfs/dbraw/zinc/08/44/55/570084455.db2.gz PVMIALHGWUFGEH-VCHYOVAHSA-N 0 2 477.904 4.451 40 10 JICBLN O=C1NC(=O)N(c2cccc(Br)c2)C(=O)/C1=C/c1ccc(N2CCCCC2)cc1 ZINC000408959689 570085416 /nfs/dbraw/zinc/08/54/16/570085416.db2.gz DGLNFXHTAAOZIT-CPNJWEJPSA-N 0 2 454.324 4.106 40 10 JICBLN COC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=O)N(c4ccccc4)C3=O)o2)cc1Cl ZINC000409003431 570096999 /nfs/dbraw/zinc/09/69/99/570096999.db2.gz GDMGFQJQQXELFC-SFQUDFHCSA-N 0 2 450.834 4.053 40 10 JICBLN CCCOc1c(Cl)cc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000409046691 570108927 /nfs/dbraw/zinc/10/89/27/570108927.db2.gz LFOYAOFRDBWWFB-OVCLIPMQSA-N 0 2 464.261 4.357 40 10 JICBLN O=C(COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc1Cl)Nc1ccccc1 ZINC000409049818 570109632 /nfs/dbraw/zinc/10/96/32/570109632.db2.gz XRAAGXKMCFNYFO-CPNJWEJPSA-N 0 2 475.888 4.024 40 10 JICBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)cc(Cl)c3OCC(C)C)C2=O)cc1 ZINC000409052842 570110504 /nfs/dbraw/zinc/11/05/04/570110504.db2.gz AXMPBVJGJNWYFE-RQZCQDPDSA-N 0 2 491.327 4.481 40 10 JICBLN Cc1cccc(NC(=O)COc2ccccc2/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c1 ZINC000409060374 570113878 /nfs/dbraw/zinc/11/38/78/570113878.db2.gz ZIYYBGUSMMBZSN-KGENOOAVSA-N 0 2 489.915 4.332 40 10 JICBLN COC(=O)c1c(C)c(C)sc1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)c1C ZINC000409192815 570162525 /nfs/dbraw/zinc/16/25/25/570162525.db2.gz BTQNOXDKMSVNNT-XDHOZWIPSA-N 0 2 477.542 4.225 40 10 JICBLN COC(=O)c1c(C)c(C)sc1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c1C ZINC000409207620 570167778 /nfs/dbraw/zinc/16/77/78/570167778.db2.gz YWFLFXNCVYJSON-YBFXNURJSA-N 0 2 495.532 4.365 40 10 JICBLN O=C1NC(=O)N(c2cccnc2)C(=O)/C1=C/c1ccc(-c2ccc(Br)c(Cl)c2)o1 ZINC000409239957 570181489 /nfs/dbraw/zinc/18/14/89/570181489.db2.gz IRQVWPUTLLNQAG-NTEUORMPSA-N 0 2 472.682 4.424 40 10 JICBLN Cc1cccc(NC(=O)COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)cc2)c1C ZINC000409256292 570186918 /nfs/dbraw/zinc/18/69/18/570186918.db2.gz NDRYJJFNAONAJY-HYARGMPZSA-N 0 2 487.487 4.126 40 10 JICBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3F)C2=O)ccc1OC(=O)c1cccc(C)c1 ZINC000408533148 570188915 /nfs/dbraw/zinc/18/89/15/570188915.db2.gz JMAWAOJFMJEZMN-QGOAFFKASA-N 0 2 474.444 4.028 40 10 JICBLN CCCOC(=O)c1cc(NC=C2C(=O)NC(=O)N(c3ccccc3CC)C2=O)ccc1Cl ZINC000408538545 570191105 /nfs/dbraw/zinc/19/11/05/570191105.db2.gz OPCISBINTHCVPG-GHRIWEEISA-N 0 2 455.898 4.048 40 10 JICBLN CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3OCc3ccccc3F)C2=O)cc1 ZINC000016691701 521037496 /nfs/dbraw/zinc/03/74/96/521037496.db2.gz SSWRVQAPEZVCPP-QNGOZBTKSA-N 0 2 460.461 4.470 40 10 JICBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3cn(CC(=O)NCc4ccco4)c4ccccc34)C2=O)cc1 ZINC000000883615 553820487 /nfs/dbraw/zinc/82/04/87/553820487.db2.gz PCLKILFKZYLKTO-LPYMAVHISA-N 0 2 482.496 4.366 40 10 JICBLN Cc1cc(/C=C2/C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)c(C)n1-c1ccc(O)cc1 ZINC000015013025 555854765 /nfs/dbraw/zinc/85/47/65/555854765.db2.gz HPQZIOKYORVXEC-JAIQZWGSSA-N 0 2 480.318 4.229 40 10 JICBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)cc(I)c3O)C2=O)cc1 ZINC000083318113 569708589 /nfs/dbraw/zinc/70/85/89/569708589.db2.gz IUPVNQNKJAKPEG-NTUHNPAUSA-N 0 2 482.661 4.465 40 10 JICBLN COC(=O)Cc1[nH]n(-c2ccc(OC)cc2)c(=O)c1C(C)=Nc1ccccc1OC(F)(F)F ZINC000103521478 569835777 /nfs/dbraw/zinc/83/57/77/569835777.db2.gz XUEXUCMYBJIFBJ-DEDYPNTBSA-N 0 2 463.412 4.246 40 10 JICBLN CC(=O)[C@H](N=Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)C(=O)Nc1ccc(Cl)cc1 ZINC000104123736 569841335 /nfs/dbraw/zinc/84/13/35/569841335.db2.gz RLDYFVLBECEDSU-LRDZBDLTSA-N 0 2 477.955 4.277 40 10 JICBLN CCOc1ccc(NC(=O)[C@H](N=Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)C(C)=O)cc1 ZINC000104123968 569841360 /nfs/dbraw/zinc/84/13/60/569841360.db2.gz JYNHMNBLUAJXGE-KRXRYSOXSA-N 0 2 487.563 4.023 40 10 JICBLN O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(Cl)cc([N+](=O)[O-])c1OCc1cccc([N+](=O)[O-])c1 ZINC000108043880 569858398 /nfs/dbraw/zinc/85/83/98/569858398.db2.gz FHCCFLBHBKSFCY-ODLFYWEKSA-N 0 2 494.847 4.197 40 10 JICBLN CCOc1ccc(N2C(=O)NC(=O)C(=Cc3c(C)nn(-c4ccc(C)cc4C)c3C)C2=O)cc1 ZINC000408757968 570036098 /nfs/dbraw/zinc/03/60/98/570036098.db2.gz SVMDCIROEYPBOG-HYARGMPZSA-N 0 2 458.518 4.171 40 10 JICBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3c(C)nn(-c4cccc5ccccc54)c3C)C2=O)cc1 ZINC000408758015 570036101 /nfs/dbraw/zinc/03/61/01/570036101.db2.gz UNAFPSRXEYGMFB-HAHDFKILSA-N 0 2 466.497 4.317 40 10 JICBLN COc1cc(N2C(=O)NC(=O)C(=Cc3ccc(OC)c4ccccc34)C2=O)c(OC)cc1Cl ZINC000408778804 570040779 /nfs/dbraw/zinc/04/07/79/570040779.db2.gz LHYARSJWIWEYIP-MHWRWJLKSA-N 0 2 466.877 4.185 40 10 JICBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000408800737 570045540 /nfs/dbraw/zinc/04/55/40/570045540.db2.gz PAIVUKUVFYYMJO-KGENOOAVSA-N 0 2 487.468 4.239 40 10 JICBLN 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ZINC000408889902 570065431 /nfs/dbraw/zinc/06/54/31/570065431.db2.gz KQKVXOPVCOBKNX-YDZHTSKRSA-N 0 2 471.469 4.457 40 10 JICBLN O=C1NC(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1cc(Br)ccc1O ZINC000408892319 570066024 /nfs/dbraw/zinc/06/60/24/570066024.db2.gz YOUNAOVROVOCHN-DEDYPNTBSA-N 0 2 493.313 4.400 40 10 JICBLN CCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1Cl ZINC000408900776 570068422 /nfs/dbraw/zinc/06/84/22/570068422.db2.gz UVUSKPKKGMZGRN-ZROIWOOFSA-N 0 2 463.715 4.476 40 10 JICBLN CC[C@H](C)Oc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1OC ZINC000408902064 570069060 /nfs/dbraw/zinc/06/90/60/570069060.db2.gz FAOJSMJDAYIUMM-RGZVIEDOSA-N 0 2 491.313 4.441 40 10 JICBLN O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cn(Cc2ccccc2F)c2ccccc12 ZINC000408949416 570083850 /nfs/dbraw/zinc/08/38/50/570083850.db2.gz IATKOOZOHUIYMK-RGVLZGJSSA-N 0 2 483.455 4.224 40 10 JICBLN CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccccc4F)C3=O)c2C)c1 ZINC000408963673 570086748 /nfs/dbraw/zinc/08/67/48/570086748.db2.gz ABDNSLIZLZGEHS-XSFVSMFZSA-N 0 2 475.476 4.076 40 10 JICBLN Cc1cc(C=C2C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1ccc2c(c1)OCO2 ZINC000409242207 570182367 /nfs/dbraw/zinc/18/23/67/570182367.db2.gz VNGNCNHVJREPIB-VCHYOVAHSA-N 0 2 477.904 4.451 40 10 JICBLN Cc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)NC(=O)N(c4ccccc4)C3=O)cc2)cc1Cl ZINC000409251491 570185875 /nfs/dbraw/zinc/18/58/75/570185875.db2.gz QTCPFGBIVLYHGV-BKUYFWCQSA-N 0 2 489.915 4.332 40 10 JICBLN O=C(N/C=C1\C(=O)NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1=O)Nc1ccccc1 ZINC000408529286 570187136 /nfs/dbraw/zinc/18/71/36/570187136.db2.gz JADYJKUFBDHJTI-XQNSMLJCSA-N 0 2 484.556 4.443 40 10 JICBLN O=C(Oc1ccccc1/C=C1/C(=O)NC(=O)N(c2ccccc2F)C1=O)c1ccc(Cl)cc1 ZINC000408532605 570188679 /nfs/dbraw/zinc/18/86/79/570188679.db2.gz ILIQGSVLJLIIRE-LGMDPLHJSA-N 0 2 464.836 4.365 40 10 JICBLN Cc1cccc(N2C(=O)NC(=O)C(=Cc3ccccc3OC(=O)C=Cc3ccccc3)C2=O)c1 ZINC000408533801 570189192 /nfs/dbraw/zinc/18/91/92/570189192.db2.gz 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ZINC000408803608 570046568 /nfs/dbraw/zinc/04/65/68/570046568.db2.gz RCNRQQBTUDJRKX-DEDYPNTBSA-N 0 2 493.313 4.400 40 10 JICBLN Cc1ccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)cc2)cc1 ZINC000408803881 570046786 /nfs/dbraw/zinc/04/67/86/570046786.db2.gz BFFZUENLVTWQIA-LPYMAVHISA-N 0 2 457.442 4.149 40 10 JICBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc(Br)c1OCC ZINC000408814727 570050144 /nfs/dbraw/zinc/05/01/44/570050144.db2.gz WDGZXZTUFLIQKZ-MHWRWJLKSA-N 0 2 473.323 4.221 40 10 JICBLN CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1OC ZINC000408816541 570050665 /nfs/dbraw/zinc/05/06/65/570050665.db2.gz UBBYNIOYILWXPV-PXLXIMEGSA-N 0 2 472.497 4.339 40 10 JICBLN CCOc1ccc(OCC)c(N2C(=O)NC(=O)C(=Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2=O)c1 ZINC000408848537 570055094 /nfs/dbraw/zinc/05/50/94/570055094.db2.gz ZOXBDRKIDWIHGZ-CPNJWEJPSA-N 0 2 491.456 4.319 40 10 JICBLN CCc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)C1=O ZINC000408865513 570058043 /nfs/dbraw/zinc/05/80/43/570058043.db2.gz CTCWDVNUTIDIJU-JCMHNJIXSA-N 0 2 471.469 4.403 40 10 JICBLN O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C\c1cc(Cl)ccc1Cc1ccccc1F ZINC000408881575 570063003 /nfs/dbraw/zinc/06/30/03/570063003.db2.gz NIASGNXBCXPKPE-DEDYPNTBSA-N 0 2 450.853 4.442 40 10 JICBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)ccc1Cc1cccc(F)c1 ZINC000408882475 570063296 /nfs/dbraw/zinc/06/32/96/570063296.db2.gz QBQNBBMVGNKAFF-HYARGMPZSA-N 0 2 460.461 4.187 40 10 JICBLN COc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)ccc1OCc1cccc(F)c1 ZINC000408889349 570065218 /nfs/dbraw/zinc/06/52/18/570065218.db2.gz CUSBGRWCYIJYDK-PDGQHHTCSA-N 0 2 464.424 4.219 40 10 JICBLN O=C(COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1)Nc1ccccc1 ZINC000408896646 570067341 /nfs/dbraw/zinc/06/73/41/570067341.db2.gz GUYJJTKMOAJYHO-KGENOOAVSA-N 0 2 475.888 4.024 40 10 JICBLN CCCCOc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)ccc3OC)C2=O)cc1 ZINC000408900389 570068274 /nfs/dbraw/zinc/06/82/74/570068274.db2.gz SIAQLFFPVQVPEM-AQTBWJFISA-N 0 2 473.323 4.303 40 10 JICBLN CC[C@H](C)Oc1cc(Br)c(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1OC ZINC000408903768 570070115 /nfs/dbraw/zinc/07/01/15/570070115.db2.gz YOTYBQKWJFELOC-RGZVIEDOSA-N 0 2 491.313 4.441 40 10 JICBLN O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cn(Cc2ccc(F)cc2)c2ccccc12 ZINC000408956382 570085048 /nfs/dbraw/zinc/08/50/48/570085048.db2.gz WJACLXTXJGYTFB-SRZZPIQSSA-N 0 2 483.455 4.224 40 10 JICBLN CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OC ZINC000408983105 570091320 /nfs/dbraw/zinc/09/13/20/570091320.db2.gz KMNPLXIYZWCDMK-AUWJEWJLSA-N 0 2 493.741 4.485 40 10 JICBLN CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc(Br)c1OC ZINC000408985143 570092152 /nfs/dbraw/zinc/09/21/52/570092152.db2.gz VUEXTQCXYZEERZ-YBEGLDIGSA-N 0 2 473.323 4.085 40 10 JICBLN COc1cc(Cl)c(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)cc1OC ZINC000409095234 570126455 /nfs/dbraw/zinc/12/64/55/570126455.db2.gz HBUHTVOHLUOTKZ-UXBLZVDNSA-N 0 2 455.681 4.330 40 10 JICBLN 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/nfs/dbraw/zinc/84/15/81/569841581.db2.gz OTMZOLCCZBOOSN-ZELGORGJSA-N 0 2 471.926 4.216 40 10 JICBLN COC(=O)c1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(c4cccc(Cl)c4)C3=O)c2C)cc1 ZINC000408740937 570032181 /nfs/dbraw/zinc/03/21/81/570032181.db2.gz FGJWEHYDKBMXQK-MTJSOVHGSA-N 0 2 477.904 4.201 40 10 JICBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc(Cl)c1OC(C)C ZINC000408802951 570046373 /nfs/dbraw/zinc/04/63/73/570046373.db2.gz JMPVUDQARAZWAM-LICLKQGHSA-N 0 2 458.898 4.201 40 10 JICBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3OCc3cccc([N+](=O)[O-])c3)C2=O)c(C)c1 ZINC000408811754 570049293 /nfs/dbraw/zinc/04/92/93/570049293.db2.gz LXARXCUMPIESOV-KGENOOAVSA-N 0 2 471.469 4.457 40 10 JICBLN O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc(Sc2ccc(Cl)cc2)o1 ZINC000408849199 570055186 /nfs/dbraw/zinc/05/51/86/570055186.db2.gz VMZHGGLAJRHQIU-MHWRWJLKSA-N 0 2 468.874 4.479 40 10 JICBLN COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)c(OCc2ccc(C)cc2)c1 ZINC000408872676 570060079 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COC(=O)COc1c(Cl)cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1Cl ZINC000408982566 570091241 /nfs/dbraw/zinc/09/12/41/570091241.db2.gz HWOXYRUCYVRKPR-ACAGNQJTSA-N 0 2 497.718 4.173 40 10 JICBLN CCCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1Cl ZINC000409050083 570109667 /nfs/dbraw/zinc/10/96/67/570109667.db2.gz ZZFKBSHEXDFWIU-RIYZIHGNSA-N 0 2 464.261 4.357 40 10 JICBLN COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)cc1Br ZINC000409100332 570128170 /nfs/dbraw/zinc/12/81/70/570128170.db2.gz MTYHXALWOMAPBU-JXMROGBWSA-N 0 2 470.106 4.431 40 10 JICBLN O=C(COc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccccc2)C1=O)Nc1ccc(Cl)cc1 ZINC000409219549 570173937 /nfs/dbraw/zinc/17/39/37/570173937.db2.gz RTTZJMZYKDKIHT-XSFVSMFZSA-N 0 2 475.888 4.024 40 10 JICBLN O=C(COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c1)Nc1ccccc1Cl ZINC000409263811 570188079 /nfs/dbraw/zinc/18/80/79/570188079.db2.gz OJROUXCKOOIWMY-CPNJWEJPSA-N 0 2 493.878 4.163 40 10 JICBLN 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Cc1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c(C)c(S(=O)(=O)c2ccc(Cl)cc2)c1O ZINC000026786819 556262823 /nfs/dbraw/zinc/26/28/23/556262823.db2.gz DIFMQFBDNIYZEI-UHFFFAOYSA-N 0 2 496.950 4.204 40 10 JICBLN COc1cc(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1OCc1ccccc1C#N ZINC000033739186 569632998 /nfs/dbraw/zinc/63/29/98/569632998.db2.gz RWILQNUCWHOPQF-MTJSOVHGSA-N 0 2 459.889 4.261 40 10 JICBLN CCCC1=NN(c2ccc(F)cc2)C(=O)C1C(C)=Nc1cc(C(=O)OC)cc(C(=O)OC)c1 ZINC000103919233 569839052 /nfs/dbraw/zinc/83/90/52/569839052.db2.gz KCMUDDKOFJPCFX-STZFKDTASA-N 0 2 453.470 4.288 40 10 JICBLN CCCc1[nH]n(-c2ccc(F)cc2)c(=O)c1C(C)=Nc1cc(C(=O)OC)cc(C(=O)OC)c1 ZINC000103919233 569839054 /nfs/dbraw/zinc/83/90/54/569839054.db2.gz KCMUDDKOFJPCFX-STZFKDTASA-N 0 2 453.470 4.288 40 10 JICBLN CCCC1=NN(c2ccc(F)cc2)C(=O)C1=C(C)Nc1cc(C(=O)OC)cc(C(=O)OC)c1 ZINC000103919233 569839055 /nfs/dbraw/zinc/83/90/55/569839055.db2.gz KCMUDDKOFJPCFX-STZFKDTASA-N 0 2 453.470 4.288 40 10 JICBLN CC(=O)[C@H](N=Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)C(=O)Nc1ccc(Cl)cc1 ZINC000104123732 569841403 /nfs/dbraw/zinc/84/14/03/569841403.db2.gz RLDYFVLBECEDSU-TZFALNRWSA-N 0 2 477.955 4.277 40 10 JICBLN CCOc1cccc(N2C(=O)/C(=C\c3cc(Br)cc(Cl)c3O)C(=O)NC2=S)c1 ZINC000408742827 570032730 /nfs/dbraw/zinc/03/27/30/570032730.db2.gz SVRFYLXVWNSVON-AUWJEWJLSA-N 0 2 481.755 4.038 40 10 JICBLN CCOC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccccc4CC)C3=O)c2C)cc1 ZINC000408783959 570042508 /nfs/dbraw/zinc/04/25/08/570042508.db2.gz QZVFOMAVGDZIRU-XQNSMLJCSA-N 0 2 485.540 4.500 40 10 JICBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCc1ccc(C)cc1 ZINC000408804835 570047035 /nfs/dbraw/zinc/04/70/35/570047035.db2.gz ZPQHZKPTHUEWFP-CIAFOILYSA-N 0 2 487.468 4.157 40 10 JICBLN COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)c(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000408808515 570048408 /nfs/dbraw/zinc/04/84/08/570048408.db2.gz JFINMEGDGKJGAQ-FYJGNVAPSA-N 0 2 487.468 4.157 40 10 JICBLN CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3OCc3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000408811975 570049403 /nfs/dbraw/zinc/04/94/03/570049403.db2.gz MHUXPIZBLZJOTG-PXLXIMEGSA-N 0 2 487.468 4.239 40 10 JICBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4ccc(C)c(C)c4)cc3)C2=O)cc1 ZINC000408813839 570049891 /nfs/dbraw/zinc/04/98/91/570049891.db2.gz OYLOICLLOZAUCS-BUVRLJJBSA-N 0 2 484.508 4.335 40 10 JICBLN CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(OC)c(Cl)cc3OC)C2=O)cc1Cl ZINC000408831315 570052754 /nfs/dbraw/zinc/05/27/54/570052754.db2.gz ZIXPVQMXLIYZEY-MDWZMJQESA-N 0 2 479.316 4.466 40 10 JICBLN CCc1ccccc1N1C(=O)NC(=O)C(=Cc2ccccc2OCc2cccc([N+](=O)[O-])c2)C1=O ZINC000408869281 570058974 /nfs/dbraw/zinc/05/89/74/570058974.db2.gz QKEZUJFAWNHIQW-QNGOZBTKSA-N 0 2 471.469 4.403 40 10 JICBLN COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)c(OCc2cccc(C)c2)c1 ZINC000408875820 570061129 /nfs/dbraw/zinc/06/11/29/570061129.db2.gz LJLLNUKEUISUII-MOSHPQCFSA-N 0 2 460.461 4.388 40 10 JICBLN O=C1NC(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1ccc(OCc2cccc(Cl)c2)cc1 ZINC000408936426 570081494 /nfs/dbraw/zinc/08/14/94/570081494.db2.gz GGPXWEWOXCXKBF-FYJGNVAPSA-N 0 2 477.860 4.494 40 10 JICBLN O=C1NC(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1ccc(OCc2ccccc2Cl)cc1 ZINC000408947242 570083648 /nfs/dbraw/zinc/08/36/48/570083648.db2.gz ZWNMOWXLLFZDRX-DEDYPNTBSA-N 0 2 477.860 4.494 40 10 JICBLN Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c(C)n1-c1cc(Cl)ccc1C ZINC000408950326 570083995 /nfs/dbraw/zinc/08/39/95/570083995.db2.gz JFIZRGVFLDCLKS-DJKKODMXSA-N 0 2 477.904 4.451 40 10 JICBLN Cc1ccccc1-n1cccc1/C=C1\C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O ZINC000408962878 570086630 /nfs/dbraw/zinc/08/66/30/570086630.db2.gz KWJSXKCENBZHAX-QGOAFFKASA-N 0 2 450.292 4.215 40 10 JICBLN CCCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc1Cl ZINC000409041917 570107751 /nfs/dbraw/zinc/10/77/51/570107751.db2.gz KXMXEKHALDZTHB-OQLLNIDSSA-N 0 2 477.300 4.235 40 10 JICBLN CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC(=O)Nc4cccc(C)c4)cc3)C2=O)cc1 ZINC000409044939 570108389 /nfs/dbraw/zinc/10/83/89/570108389.db2.gz DONIGAYEDCHWMN-LFVJCYFKSA-N 0 2 499.523 4.078 40 10 JICBLN Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)c(C)n1-c1ccc(Br)cc1F ZINC000409229124 570176997 /nfs/dbraw/zinc/17/69/97/570176997.db2.gz KBYPTCYQMDHOMV-RQZCQDPDSA-N 0 2 483.297 4.057 40 10 JICBLN Cc1c(Cl)cccc1N1C(=O)NC(=O)C(=Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O ZINC000409237946 570180616 /nfs/dbraw/zinc/18/06/16/570180616.db2.gz YDNILBLCNIRVNX-PTNGSMBKSA-N 0 2 451.822 4.483 40 10 JICBLN Cc1ccc(NC(=O)COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)cc2)cc1C ZINC000409252258 570186011 /nfs/dbraw/zinc/18/60/11/570186011.db2.gz CXZRJBGHGKWBQH-OEAKJJBVSA-N 0 2 487.487 4.126 40 10 JICBLN COc1c(Br)cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1[N+](=O)[O-] ZINC000059135036 195389574 /nfs/dbraw/zinc/38/95/74/195389574.db2.gz QFPGXGCLLYWAFT-WUXMJOGZSA-N 0 2 464.203 4.012 40 10 JICBLN CCOc1ccc(-n2c(O)cc(N3C(=O)C(=CC=Cc4ccccc4)SC3=S)c2O)cc1 ZINC000016713034 521037643 /nfs/dbraw/zinc/03/76/43/521037643.db2.gz PMBQIUAEBAZCNB-FLCOOLOBSA-N 0 2 464.568 4.175 40 10 JICBLN Cc1c(Br)c(O)c(Br)c(C)c1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000016779914 525523595 /nfs/dbraw/zinc/52/35/95/525523595.db2.gz WRHHJXQPMIZAGA-UHFFFAOYSA-N 0 2 480.134 4.243 40 10 JICBLN CCOc1ccc(NC(=O)[C@@H](N=Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)C(C)=O)cc1 ZINC000104123980 569841352 /nfs/dbraw/zinc/84/13/52/569841352.db2.gz JYNHMNBLUAJXGE-ZFZZVZNFSA-N 0 2 487.563 4.023 40 10 JICBLN CC(=O)[C@H](N=Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)C(=O)Nc1cc(C)cc(C)c1 ZINC000104124429 569841574 /nfs/dbraw/zinc/84/15/74/569841574.db2.gz TUWINWJMQMSFBQ-KQEYZTLISA-N 0 2 465.535 4.179 40 10 JICBLN COC(=O)c1ccccc1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)c1C ZINC000105424988 569853010 /nfs/dbraw/zinc/85/30/10/569853010.db2.gz RNSVAOCWGJNKKH-HYARGMPZSA-N 0 2 471.513 4.164 40 10 JICBLN O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(Cl)cc([N+](=O)[O-])c1OCc1ccc(F)cc1 ZINC000108111056 569858671 /nfs/dbraw/zinc/85/86/71/569858671.db2.gz IDSMBHURQMNIPP-ODLFYWEKSA-N 0 2 467.840 4.428 40 10 JICBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc4c(c3)[C@H](C)CC(C)(C)N4C)C2=O)c(OC)c1 ZINC000208221103 569875010 /nfs/dbraw/zinc/87/50/10/569875010.db2.gz MHQHJVKTHKUWKV-IYSPOMMRSA-N 0 2 463.534 4.092 40 10 JICBLN CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=C3\C(=O)NC(=O)N(c4ccc5c(c4)OCO5)C3=O)cc21 ZINC000208472442 569875608 /nfs/dbraw/zinc/87/56/08/569875608.db2.gz SZKRCHSXUWXANG-CAOOACKPSA-N 0 2 479.920 4.367 40 10 JICBLN Cc1cc(N2C(=O)NC(=O)C(=Cc3ccc(Br)s3)C2=O)ccc1Br ZINC000408752771 570034796 /nfs/dbraw/zinc/03/47/96/570034796.db2.gz KAVUHOFAXOELRK-YRNVUSSQSA-N 0 2 470.142 4.248 40 10 JICBLN Cc1cc(N2C(=O)NC(=O)C(=Cc3ccc(OCC(C)C)cc3)C2=O)ccc1Br ZINC000408760170 570036657 /nfs/dbraw/zinc/03/66/57/570036657.db2.gz SWALKOCFOOWKFN-WOJGMQOQSA-N 0 2 457.324 4.459 40 10 JICBLN Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4ccc5c(c4)OCO5)cc3)C2=O)c1 ZINC000408767227 570038182 /nfs/dbraw/zinc/03/81/82/570038182.db2.gz KHORXXYFWNVKLA-WSDLNYQXSA-N 0 2 470.481 4.278 40 10 JICBLN COC(=O)c1ccc(C)c(-c2ccc(/C=C3\C(=O)NC(=O)N(c4cc(C)cc(C)c4)C3=O)o2)c1 ZINC000408768658 570038454 /nfs/dbraw/zinc/03/84/54/570038454.db2.gz ZUKGBGGEZUUGQA-FYJGNVAPSA-N 0 2 458.470 4.325 40 10 JICBLN COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1Br ZINC000408773884 570039634 /nfs/dbraw/zinc/03/96/34/570039634.db2.gz UCDXBZGQNFCVRX-VGOFMYFVSA-N 0 2 463.715 4.394 40 10 JICBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)c(Br)cc1OC ZINC000408790901 570043948 /nfs/dbraw/zinc/04/39/48/570043948.db2.gz RWNDULAFRUEWEB-CXUHLZMHSA-N 0 2 473.323 4.140 40 10 JICBLN CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)c(OC(C)C)c(OC)c3)C2=O)cc1 ZINC000408801117 570045633 /nfs/dbraw/zinc/04/56/33/570045633.db2.gz TXRILVABPUKNCG-LICLKQGHSA-N 0 2 458.898 4.201 40 10 JICBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OC)cc3OCc3ccc(C)cc3)C2=O)cc1 ZINC000408805304 570047200 /nfs/dbraw/zinc/04/72/00/570047200.db2.gz FZQBCPWJJMRAQE-OEAKJJBVSA-N 0 2 472.497 4.258 40 10 JICBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)ccc1OC ZINC000408805614 570047403 /nfs/dbraw/zinc/04/74/03/570047403.db2.gz HHBXJVGBQJUSHV-PXLXIMEGSA-N 0 2 472.497 4.339 40 10 JICBLN CCOC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4ccc(F)cc4)cc3)C2=O)cc1 ZINC000408809277 570048676 /nfs/dbraw/zinc/04/86/76/570048676.db2.gz RFPWRSBTGYILFK-HZHRSRAPSA-N 0 2 488.471 4.248 40 10 JICBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)ccc1OCc1ccc(C)c(C)c1 ZINC000408810393 570048969 /nfs/dbraw/zinc/04/89/69/570048969.db2.gz PJUZBNWKZNIDJJ-LPYMAVHISA-N 0 2 472.497 4.263 40 10 JICBLN O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1ccc(OCc2ccc(F)cc2)c(Cl)c1 ZINC000408810957 570049064 /nfs/dbraw/zinc/04/90/64/570049064.db2.gz QGTFVXFBZPNMAH-YBFXNURJSA-N 0 2 466.852 4.430 40 10 JICBLN CCc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)ccc3OC(C)C)C2=O)cc1 ZINC000408812580 570049492 /nfs/dbraw/zinc/04/94/92/570049492.db2.gz NEHPYHNPLPVFIK-LDADJPATSA-N 0 2 457.324 4.465 40 10 JICBLN CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(OC)c(Cl)cc3OC)C2=O)cc1Cl ZINC000408834464 570053090 /nfs/dbraw/zinc/05/30/90/570053090.db2.gz WDZWOZPPICDBLN-KPKJPENVSA-N 0 2 465.289 4.076 40 10 JICBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1Cc1cccc(F)c1 ZINC000408869854 570059139 /nfs/dbraw/zinc/05/91/39/570059139.db2.gz UJXGKQXYHVDMGS-LPYMAVHISA-N 0 2 489.459 4.390 40 10 JICBLN CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)ccc1Cc1ccccc1F ZINC000408870838 570059532 /nfs/dbraw/zinc/05/95/32/570059532.db2.gz XEVJMACPDQMMHH-HYARGMPZSA-N 0 2 474.488 4.490 40 10 JICBLN Cc1cc(C)cc(Cc2ccccc2/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)c1 ZINC000408873843 570060503 /nfs/dbraw/zinc/06/05/03/570060503.db2.gz XJUQWEZEIUGCRT-OEAKJJBVSA-N 0 2 455.470 4.469 40 10 JICBLN COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)c(OCc2cccc(F)c2)c1 ZINC000408890597 570065630 /nfs/dbraw/zinc/06/56/30/570065630.db2.gz WFAOCXPEYYGJFE-FYJGNVAPSA-N 0 2 460.461 4.388 40 10 JICBLN COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)c(OCc2ccccc2F)c1 ZINC000408891217 570065814 /nfs/dbraw/zinc/06/58/14/570065814.db2.gz NAJQMZNHVRYBIG-PDGQHHTCSA-N 0 2 464.424 4.219 40 10 JICBLN COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3C)C2=O)cc(Cl)c1OC ZINC000408896128 570067166 /nfs/dbraw/zinc/06/71/66/570067166.db2.gz JRRDJNVLIRKBJL-QPEQYQDCSA-N 0 2 479.714 4.095 40 10 JICBLN CC[C@@H](C)Oc1c(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cccc1OC ZINC000408903614 570070194 /nfs/dbraw/zinc/07/01/94/570070194.db2.gz UNWGTDAJZNIPCY-LVLBFHFTSA-N 0 2 473.323 4.301 40 10 JICBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)C2=O)c(C)c1 ZINC000408934108 570080861 /nfs/dbraw/zinc/08/08/61/570080861.db2.gz CMEOXMMNFRWYOP-HMAPJEAMSA-N 0 2 471.469 4.457 40 10 JICBLN CCc1ccc(N2C(=O)NC(=O)C(=Cc3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)C2=O)cc1 ZINC000408934289 570080939 /nfs/dbraw/zinc/08/09/39/570080939.db2.gz DNRFPILORJYUNT-HAHDFKILSA-N 0 2 471.469 4.403 40 10 JICBLN Cc1ccc(S(=O)(=O)Oc2cccc(/C=C3/C(=O)NC(=O)N(c4cccc(C)c4C)C3=O)c2)cc1 ZINC000408935496 570081350 /nfs/dbraw/zinc/08/13/50/570081350.db2.gz HLJHNOISNLVLHD-JCMHNJIXSA-N 0 2 490.537 4.046 40 10 JICBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccccc1 ZINC000408937279 570081769 /nfs/dbraw/zinc/08/17/69/570081769.db2.gz NTRKNGVZUMMBFY-KGENOOAVSA-N 0 2 487.468 4.239 40 10 JICBLN O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C\c1cccc(OCc2cccc(Cl)c2)c1 ZINC000408942287 570082817 /nfs/dbraw/zinc/08/28/17/570082817.db2.gz YVROEOMIEKFAOY-MTJSOVHGSA-N 0 2 477.860 4.494 40 10 JICBLN Cc1cc(C)cc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc([N+](=O)[O-])cc4)C3=O)cc2)c1 ZINC000408945369 570083397 /nfs/dbraw/zinc/08/33/97/570083397.db2.gz WIJQXDVAXUQHJN-OEAKJJBVSA-N 0 2 471.469 4.457 40 10 JICBLN CCc1ccc(N2C(=O)NC(=O)C(=Cc3cc(C)n(-c4cc([N+](=O)[O-])ccc4OC)c3C)C2=O)cc1 ZINC000408982627 570091195 /nfs/dbraw/zinc/09/11/95/570091195.db2.gz INSIIBKXEDCPCR-BKUYFWCQSA-N 0 2 488.500 4.240 40 10 JICBLN CCc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4cc([N+](=O)[O-])ccc4OC)o3)C2=O)cc1 ZINC000408984846 570091991 /nfs/dbraw/zinc/09/19/91/570091991.db2.gz TTXCWJYFNLVMCQ-UYRXBGFRSA-N 0 2 461.430 4.092 40 10 JICBLN CCOc1c(Br)cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc1OC ZINC000408991059 570094056 /nfs/dbraw/zinc/09/40/56/570094056.db2.gz YWOYHBYXTAFCQZ-YBEGLDIGSA-N 0 2 473.323 4.085 40 10 JICBLN Cc1cccc(N2C(=O)NC(=O)C(=Cc3cccn3-c3cccc(Br)c3)C2=O)c1 ZINC000409012288 570099917 /nfs/dbraw/zinc/09/99/17/570099917.db2.gz QCFLCUJRLJULFK-CPNJWEJPSA-N 0 2 450.292 4.215 40 10 JICBLN COC(=O)c1c(C)c(C)sc1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(c3ccccc3F)C2=O)c1C ZINC000409205707 570167127 /nfs/dbraw/zinc/16/71/27/570167127.db2.gz JMVZVDJSJBIJJQ-GZTJUZNOSA-N 0 2 495.532 4.365 40 10 JICBLN Cc1ccc(NC(=O)COc2ccccc2/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1 ZINC000409226329 570176039 /nfs/dbraw/zinc/17/60/39/570176039.db2.gz VADSKGZMDLUXLL-HZHRSRAPSA-N 0 2 483.524 4.296 40 10 JICBLN CCOc1ccccc1N1C(=O)NC(=O)C(=Cc2cc(C)n(-c3ccc(OC)cc3)c2C)C1=O ZINC000409230361 570177520 /nfs/dbraw/zinc/17/75/20/570177520.db2.gz YNEVRHMENOSUDO-RCCKNPSSSA-N 0 2 459.502 4.168 40 10 JICBLN O=C1NC(=O)N(c2cccnc2)C(=O)/C1=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12 ZINC000409234332 570179030 /nfs/dbraw/zinc/17/90/30/570179030.db2.gz VPJRUGPWLLCPHY-CIAFOILYSA-N 0 2 456.889 4.404 40 10 JICBLN Cc1cccc(NC(=O)COc2cccc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4)C3=O)c2)c1 ZINC000409250374 570185676 /nfs/dbraw/zinc/18/56/76/570185676.db2.gz KNYJSRMPIYWMPC-LPYMAVHISA-N 0 2 489.915 4.332 40 10 JICBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1OC(=O)c1ccccc1 ZINC000408528059 570186702 /nfs/dbraw/zinc/18/67/02/570186702.db2.gz AQSDRDUHSSBLHH-RCCKNPSSSA-N 0 2 470.481 4.279 40 10 JICBLN Cc1ccc(NC(=O)COc2ccccc2/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)cc1Cl ZINC000409256645 570186882 /nfs/dbraw/zinc/18/68/82/570186882.db2.gz PVPOVFQGQHBNAY-MOSHPQCFSA-N 0 2 489.915 4.332 40 10 JICBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3cccc(OCC(=O)Nc4ccccc4C)c3)C2=O)cc1C ZINC000409257165 570187078 /nfs/dbraw/zinc/18/70/78/570187078.db2.gz RIEWGHDMNPVJGX-HAHDFKILSA-N 0 2 483.524 4.296 40 10 JICBLN COc1cc(/C=C2/C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)c(Br)cc1O ZINC000005929363 554496533 /nfs/dbraw/zinc/49/65/33/554496533.db2.gz OCUBOVMZGWCREP-UITAMQMPSA-N 0 2 486.105 4.137 40 10 JICBLN COC(=O)c1cc(OC)c(OC)cc1N=C(C)c1c(C)[nH]n(-c2nc3ccccc3s2)c1=O ZINC000103917419 569838933 /nfs/dbraw/zinc/83/89/33/569838933.db2.gz VLTONIUUVMWPIH-NDENLUEZSA-N 0 2 466.519 4.209 40 10 JICBLN CCCCOc1ccc(Br)cc1/C=C1/C(=O)NC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000107636465 569856817 /nfs/dbraw/zinc/85/68/17/569856817.db2.gz YLZHPXGBXCCQTF-ATVHPVEESA-N 0 2 488.294 4.203 40 10 JICBLN Cc1cccc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)C2=O)c1 ZINC000408742009 570032434 /nfs/dbraw/zinc/03/24/34/570032434.db2.gz UGOBAWLBLZWSPL-HYARGMPZSA-N 0 2 457.442 4.149 40 10 JICBLN O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1ccc(-c2ccc(I)cc2)o1 ZINC000408743323 570032817 /nfs/dbraw/zinc/03/28/17/570032817.db2.gz ZXWRPAPXAUMJHR-SFQUDFHCSA-N 0 2 484.249 4.218 40 10 JICBLN CCOc1ccc2ccc(OCC)c(/C=C3\C(=O)NC(=O)N(c4ccc(OC)cc4)C3=O)c2c1 ZINC000408781583 570041678 /nfs/dbraw/zinc/04/16/78/570041678.db2.gz CBFQLAPVCZZSKZ-PXLXIMEGSA-N 0 2 460.486 4.312 40 10 JICBLN Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3ccccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)c1 ZINC000408789258 570043670 /nfs/dbraw/zinc/04/36/70/570043670.db2.gz HXAZZJDALDJKDS-HYARGMPZSA-N 0 2 471.469 4.457 40 10 JICBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)ccc1OCc1ccccc1 ZINC000408794651 570044184 /nfs/dbraw/zinc/04/41/84/570044184.db2.gz AFLQGLLEKUCDQA-KGENOOAVSA-N 0 2 458.470 4.036 40 10 JICBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)ccc1OCc1cccc(C)c1 ZINC000408798495 570044800 /nfs/dbraw/zinc/04/48/00/570044800.db2.gz FQFQHSNLBCLBKS-HYARGMPZSA-N 0 2 472.497 4.345 40 10 JICBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3OCc3cccc(C)c3)C2=O)cc1 ZINC000408798409 570044809 /nfs/dbraw/zinc/04/48/09/570044809.db2.gz IENGVFLISIWPJH-PXLXIMEGSA-N 0 2 470.481 4.027 40 10 JICBLN O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1ccc(OCc2cccc(Cl)c2)cc1 ZINC000408803894 570046784 /nfs/dbraw/zinc/04/67/84/570046784.db2.gz UMZVDNZCKAERGS-CIAFOILYSA-N 0 2 477.860 4.494 40 10 JICBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)cc1C ZINC000408805855 570047377 /nfs/dbraw/zinc/04/73/77/570047377.db2.gz LVHLHNGQBJUNKC-HYARGMPZSA-N 0 2 471.469 4.457 40 10 JICBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)ccc1OC(C)C ZINC000408805857 570047413 /nfs/dbraw/zinc/04/74/13/570047413.db2.gz LVJIJHLRGKRXIP-GZTJUZNOSA-N 0 2 473.323 4.301 40 10 JICBLN 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KDHXJYPLXQNLFN-ZROIWOOFSA-N 0 2 462.243 4.066 40 10 JICBLN CC(=O)[C@H](N=Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)C(=O)Nc1cc(C)cc(C)c1 ZINC000104124017 569841344 /nfs/dbraw/zinc/84/13/44/569841344.db2.gz MBGHTECONGDJCN-ZFZZVZNFSA-N 0 2 471.564 4.241 40 10 JICBLN CC(=O)[C@H](N=Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)C(=O)Nc1cc(C)cc(C)c1 ZINC000104124425 569841560 /nfs/dbraw/zinc/84/15/60/569841560.db2.gz TUWINWJMQMSFBQ-RIACQAHJSA-N 0 2 465.535 4.179 40 10 JICBLN C=CCOc1c(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Br ZINC000107642117 569856870 /nfs/dbraw/zinc/85/68/70/569856870.db2.gz HLMOXCADVNPLKW-ZROIWOOFSA-N 0 2 478.140 4.238 40 10 JICBLN O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(Cl)c(OCc2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000107819851 569857562 /nfs/dbraw/zinc/85/75/62/569857562.db2.gz QDXRQQRCKIPQBX-ZDLGFXPLSA-N 0 2 467.840 4.428 40 10 JICBLN O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(Cl)cc([N+](=O)[O-])c1OCc1ccc([N+](=O)[O-])cc1 ZINC000107870000 569857720 /nfs/dbraw/zinc/85/77/20/569857720.db2.gz MEBRDCLNSUGTLF-ODLFYWEKSA-N 0 2 494.847 4.197 40 10 JICBLN CCCCCCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc1OC ZINC000108926518 569859904 /nfs/dbraw/zinc/85/99/04/569859904.db2.gz MFRLZONEXMJZDW-HKWRFOASSA-N 0 2 480.517 4.107 40 10 JICBLN O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000408605698 569970791 /nfs/dbraw/zinc/97/07/91/569970791.db2.gz YNPUXXIRAMMVPW-YBEGLDIGSA-N 0 2 482.792 4.083 40 10 JICBLN Cc1cc(N2C(=O)NC(=O)C(=Cc3c(O)ccc4ccccc43)C2=O)ccc1Br ZINC000408754300 570035139 /nfs/dbraw/zinc/03/51/39/570035139.db2.gz MKVUTNSPGUBYFZ-BOPFTXTBSA-N 0 2 451.276 4.283 40 10 JICBLN Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c(C)n1-c1cccc(Cl)c1 ZINC000408763682 570037477 /nfs/dbraw/zinc/03/74/77/570037477.db2.gz UFMCVFAJWLBISA-DJKKODMXSA-N 0 2 463.877 4.143 40 10 JICBLN Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3Cl)C2=O)c(C)n1-c1cccnc1 ZINC000408771666 570039060 /nfs/dbraw/zinc/03/90/60/570039060.db2.gz AAAZKNLOIYCZPN-RQZCQDPDSA-N 0 2 455.301 4.462 40 10 JICBLN 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JICBLN CCCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc4c(c3)CC(C)(C)O4)C2=O)cc1OCC ZINC000408710629 570025212 /nfs/dbraw/zinc/02/52/12/570025212.db2.gz ASRZDYALONTHAI-CPNJWEJPSA-N 0 2 464.518 4.254 40 10 JICBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)ccc1OCc1ccc(F)cc1 ZINC000408740480 570031926 /nfs/dbraw/zinc/03/19/26/570031926.db2.gz KXSWLUBBJYXVJO-FYJGNVAPSA-N 0 2 460.461 4.388 40 10 JICBLN CCc1ccc(N2C(=O)NC(=O)C(=Cc3cc(C)n(-c4ccc(C(=O)OC)cc4)c3C)C2=O)cc1 ZINC000408740923 570032197 /nfs/dbraw/zinc/03/21/97/570032197.db2.gz FBFIPVAYACYCKI-HAHDFKILSA-N 0 2 471.513 4.110 40 10 JICBLN CCOC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4cccc(C)c4)cc3)C2=O)cc1 ZINC000408797941 570044633 /nfs/dbraw/zinc/04/46/33/570044633.db2.gz HHSHSKAGRXTXFU-LFVJCYFKSA-N 0 2 484.508 4.417 40 10 JICBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3OCc3ccc(Cl)cc3)C2=O)cc1 ZINC000408806569 570047713 /nfs/dbraw/zinc/04/77/13/570047713.db2.gz FKNVWSDZCIRBHP-KGENOOAVSA-N 0 2 490.899 4.372 40 10 JICBLN 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CCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc1OC ZINC000408804578 570046983 /nfs/dbraw/zinc/04/69/83/570046983.db2.gz YNBGTYGQEMDUTN-VGOFMYFVSA-N 0 2 493.741 4.485 40 10 JICBLN CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cccn3-c3ccc(Br)cc3)C2=O)cc1 ZINC000408848119 570054899 /nfs/dbraw/zinc/05/48/99/570054899.db2.gz PHUGIWSTJRFYRS-XSFVSMFZSA-N 0 2 480.318 4.305 40 10 JICBLN O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Br)c(Br)o1 ZINC000408853730 570055981 /nfs/dbraw/zinc/05/59/81/570055981.db2.gz XCJATNZIGXTVIY-BJMVGYQFSA-N 0 2 474.492 4.124 40 10 JICBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4ccc5c(c4)OCO5)cc3)C2=O)cc1C ZINC000408855467 570056348 /nfs/dbraw/zinc/05/63/48/570056348.db2.gz DKBVWNGIGURXMH-WSDLNYQXSA-N 0 2 470.481 4.278 40 10 JICBLN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)c1C ZINC000408856660 570056705 /nfs/dbraw/zinc/05/67/05/570056705.db2.gz KZKSZTQKCZQTOT-CIAFOILYSA-N 0 2 488.500 4.294 40 10 JICBLN CCOc1cc(I)cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)c1 ZINC000408867745 570058572 /nfs/dbraw/zinc/05/85/72/570058572.db2.gz MUBSJZRYESHTKI-LZYBPNLTSA-N 0 2 496.688 4.010 40 10 JICBLN CCOC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4cccc(F)c4)cc3)C2=O)cc1 ZINC000408890671 570065580 /nfs/dbraw/zinc/06/55/80/570065580.db2.gz XKCYMBONVGYJMK-HZHRSRAPSA-N 0 2 488.471 4.248 40 10 JICBLN Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4)C3=O)cc2)cc1 ZINC000408893266 570066250 /nfs/dbraw/zinc/06/62/50/570066250.db2.gz DLBIIMGWKIOVSE-FYJGNVAPSA-N 0 2 496.928 4.083 40 10 JICBLN Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3cc(Br)c(Br)o3)C2=O)c1 ZINC000408895983 570067027 /nfs/dbraw/zinc/06/70/27/570067027.db2.gz GHQNFFOXYGITRF-WUXMJOGZSA-N 0 2 468.101 4.088 40 10 JICBLN CCCCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCCC)c(OC)c3)C2=O)cc1 ZINC000408898312 570067761 /nfs/dbraw/zinc/06/77/61/570067761.db2.gz KVBSDZVQKIKWTP-HKWRFOASSA-N 0 2 452.507 4.329 40 10 JICBLN O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C\c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000408940977 570082598 /nfs/dbraw/zinc/08/25/98/570082598.db2.gz WBXQYEYUVIRORA-MTJSOVHGSA-N 0 2 477.860 4.494 40 10 JICBLN CCOc1cc(Br)c(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc1OCC ZINC000408982147 570091059 /nfs/dbraw/zinc/09/10/59/570091059.db2.gz GGBSELMYACRLEH-BOPFTXTBSA-N 0 2 487.350 4.475 40 10 JICBLN COc1cc(Br)c(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1OC ZINC000408986158 570092383 /nfs/dbraw/zinc/09/23/83/570092383.db2.gz ZVAKFNDMLHWOEL-MLPAPPSSSA-N 0 2 479.714 4.095 40 10 JICBLN O=C1NC(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1cccn1-c1cccc(Br)c1 ZINC000409009255 570099100 /nfs/dbraw/zinc/09/91/00/570099100.db2.gz CLOBNCSUKPNOEH-LDADJPATSA-N 0 2 454.255 4.045 40 10 JICBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC(=O)Nc4ccccc4)cc3)C2=O)cc1Cl ZINC000409046402 570108839 /nfs/dbraw/zinc/10/88/39/570108839.db2.gz KLTBLFLYPCPFNN-FYJGNVAPSA-N 0 2 489.915 4.332 40 10 JICBLN Cc1c(Cl)cccc1N1C(=O)NC(=O)C(=Cc2ccc(OCC(=O)Nc3ccccc3)cc2)C1=O ZINC000409048375 570109364 /nfs/dbraw/zinc/10/93/64/570109364.db2.gz STGXFDRZTYXVMW-XSFVSMFZSA-N 0 2 489.915 4.332 40 10 JICBLN CCCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(N4CCCC4)cc3)C2=O)cc1OCC ZINC000409211058 570169837 /nfs/dbraw/zinc/16/98/37/570169837.db2.gz KHAQACGPHGPZRU-LTGZKZEYSA-N 0 2 463.534 4.141 40 10 JICBLN Cc1ccc(NC(=O)COc2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4)C3=O)cc2)cc1 ZINC000409217391 570173088 /nfs/dbraw/zinc/17/30/88/570173088.db2.gz CHEMPIWZWWVKKO-LPYMAVHISA-N 0 2 489.915 4.332 40 10 JICBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC(=O)Nc4ccccc4C)cc3)C2=O)cc1C ZINC000409253190 570186389 /nfs/dbraw/zinc/18/63/89/570186389.db2.gz FAYKFWFULWWQBG-HAHDFKILSA-N 0 2 483.524 4.296 40 10 JICBLN Cc1cc(Br)c(NC(=O)N/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc1C ZINC000408530028 570187540 /nfs/dbraw/zinc/18/75/40/570187540.db2.gz KTTSLBZFKIAXEG-FMIVXFBMSA-N 0 2 491.729 4.008 40 10 JICBLN CCC(=O)Oc1ccc(Br)cc1/C=C1/C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000408533587 570189053 /nfs/dbraw/zinc/18/90/53/570189053.db2.gz KFWSYDLCIFJDCM-GDNBJRDFSA-N 0 2 477.698 4.084 40 10 JICBLN Cc1ccc2[nH]c(Sc3ccc(C=C4C(=O)NC(=O)N(c5ccc(F)cc5)C4=O)o3)nc2c1 ZINC000059336651 195397667 /nfs/dbraw/zinc/39/76/67/195397667.db2.gz XFVQSUDXBJXWNJ-LFIBNONCSA-N 0 2 462.462 4.421 40 10 JICBLN Cc1ccc2nc(Sc3ccc(C=C4C(=O)NC(=O)N(c5ccc(F)cc5)C4=O)o3)[nH]c2c1 ZINC000059336651 195397669 /nfs/dbraw/zinc/39/76/69/195397669.db2.gz XFVQSUDXBJXWNJ-LFIBNONCSA-N 0 2 462.462 4.421 40 10 JICBLN Cn1c(=O)cc2c3c1ccc(NS(=O)(=O)c1cccc4cccnc41)c3C(=O)c1ccccc1-2 ZINC000008859992 554756576 /nfs/dbraw/zinc/75/65/76/554756576.db2.gz SKBHBPQZZSLNHH-UHFFFAOYSA-N 0 2 467.506 4.099 40 10 JICBLN Cc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)C1=O ZINC000014132798 555700191 /nfs/dbraw/zinc/70/01/91/555700191.db2.gz QZXXPDUQGXGHLC-KGENOOAVSA-N 0 2 457.442 4.149 40 10 JICBLN Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3cc(Br)cc(Br)c3O)C2=O)c1 ZINC000059426645 569603531 /nfs/dbraw/zinc/60/35/31/569603531.db2.gz BYAZIANQBCUNOU-VGOFMYFVSA-N 0 2 494.139 4.200 40 10 JICBLN CC(=O)[C@@H](N=Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)C(=O)Nc1cc(C)cc(C)c1 ZINC000104124010 569841327 /nfs/dbraw/zinc/84/13/27/569841327.db2.gz MBGHTECONGDJCN-WWDJGNSZSA-N 0 2 471.564 4.241 40 10 JICBLN CCOc1cc(/C=C2/C(=O)NC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OC(=O)CC ZINC000108167651 569858903 /nfs/dbraw/zinc/85/89/03/569858903.db2.gz KUBLCOVPQGYPDB-YBEGLDIGSA-N 0 2 476.407 4.086 40 10 JICBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4ccc(F)c(Cl)c4)o3)C2=O)cc1 ZINC000408600298 569968568 /nfs/dbraw/zinc/96/85/68/569968568.db2.gz BHTGDGACXKAHTK-WJDWOHSUSA-N 0 2 468.824 4.192 40 10 JICBLN CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1Br ZINC000408770959 570038905 /nfs/dbraw/zinc/03/89/05/570038905.db2.gz CRIZBXPBWQQBTD-RIYZIHGNSA-N 0 2 463.715 4.476 40 10 JICBLN COc1cc(N2C(=O)NC(=O)C(=Cc3c(Cl)cccc3Cl)C2=O)c(OC)cc1Cl ZINC000408772897 570039247 /nfs/dbraw/zinc/03/92/47/570039247.db2.gz NVOCKMLNESRRRB-UXBLZVDNSA-N 0 2 455.681 4.330 40 10 JICBLN COC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccc(C)cc4)C3=O)c2C)c(C)c1 ZINC000408785913 570043085 /nfs/dbraw/zinc/04/30/85/570043085.db2.gz JRHPHKDBYIAALU-HYARGMPZSA-N 0 2 471.513 4.164 40 10 JICBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Cl)c1OC(C)C ZINC000408797770 570044619 /nfs/dbraw/zinc/04/46/19/570044619.db2.gz CTFZBPQIGMHCOC-LZYBPNLTSA-N 0 2 473.869 4.101 40 10 JICBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)ccc3OCc3ccccc3)C2=O)cc1 ZINC000408802119 570046009 /nfs/dbraw/zinc/04/60/09/570046009.db2.gz DFEVDGSCCVCHKQ-KGENOOAVSA-N 0 2 490.899 4.372 40 10 JICBLN Cc1ccc(COc2ccccc2/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000408805966 570047473 /nfs/dbraw/zinc/04/74/73/570047473.db2.gz DDWZBSCLJXUBLB-FYJGNVAPSA-N 0 2 457.442 4.149 40 10 JICBLN O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccccc1OCc1cccc([N+](=O)[O-])c1 ZINC000408807351 570048024 /nfs/dbraw/zinc/04/80/24/570048024.db2.gz HIJTYWBNILNTHK-UDWIEESQSA-N 0 2 477.860 4.494 40 10 JICBLN Cc1ccc(COc2ccccc2/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1C ZINC000408807829 570048170 /nfs/dbraw/zinc/04/81/70/570048170.db2.gz OZCSKMBRVGIBJL-LPYMAVHISA-N 0 2 471.469 4.457 40 10 JICBLN Cc1cccc(N2C(=O)NC(=O)C(=Cc3ccccc3OCc3cccc([N+](=O)[O-])c3)C2=O)c1 ZINC000408809827 570048751 /nfs/dbraw/zinc/04/87/51/570048751.db2.gz RVVJRLKMKRRCJN-KGENOOAVSA-N 0 2 457.442 4.149 40 10 JICBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4cccc(C)c4)c(OC)c3)C2=O)cc1 ZINC000408811897 570049359 /nfs/dbraw/zinc/04/93/59/570049359.db2.gz KTZYFPIPTJJROD-HYARGMPZSA-N 0 2 472.497 4.258 40 10 JICBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)c(O)c(Br)c3)C2=O)cc1C ZINC000408853119 570055914 /nfs/dbraw/zinc/05/59/14/570055914.db2.gz YSRKFOWPRANKTR-AWNIVKPZSA-N 0 2 494.139 4.200 40 10 JICBLN CCc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C1=O ZINC000408869818 570059182 /nfs/dbraw/zinc/05/91/82/570059182.db2.gz UIFKVUJTVWBDAB-JCMHNJIXSA-N 0 2 471.469 4.403 40 10 JICBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OC)cc3Cc3cc(C)cc(C)c3)C2=O)cc1 ZINC000408874405 570060609 /nfs/dbraw/zinc/06/06/09/570060609.db2.gz BBUWAKJLRZHZOJ-PCLIKHOPSA-N 0 2 498.535 4.356 40 10 JICBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)ccc1OCc1ccccc1F ZINC000408888979 570065188 /nfs/dbraw/zinc/06/51/88/570065188.db2.gz ADHVILMMNXMRAA-XSFVSMFZSA-N 0 2 460.461 4.470 40 10 JICBLN Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4ccccc4)c([N+](=O)[O-])c3)C2=O)c1 ZINC000408893483 570066442 /nfs/dbraw/zinc/06/64/42/570066442.db2.gz ATSUJYHFHGBEME-FYJGNVAPSA-N 0 2 471.469 4.457 40 10 JICBLN COc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4cc(C)cc(C)c4)C3=O)c2C)c([N+](=O)[O-])c1 ZINC000408895206 570066925 /nfs/dbraw/zinc/06/69/25/570066925.db2.gz CYDHJSHSXCZDDY-CIAFOILYSA-N 0 2 488.500 4.294 40 10 JICBLN COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)c(OCc2cc(C)cc(C)c2)c1 ZINC000408898393 570067756 /nfs/dbraw/zinc/06/77/56/570067756.db2.gz KWVSMXDZNHUPCN-YDZHTSKRSA-N 0 2 472.497 4.263 40 10 JICBLN CCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3C)C2=O)cc1OCC ZINC000408900073 570068279 /nfs/dbraw/zinc/06/82/79/570068279.db2.gz RJJQEFAFKYAHKW-WJDWOHSUSA-N 0 2 473.323 4.221 40 10 JICBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000408901683 570068826 /nfs/dbraw/zinc/06/88/26/570068826.db2.gz ZOPPVCZJDZPZIU-LICLKQGHSA-N 0 2 494.847 4.111 40 10 JICBLN CCc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4ccc5c(c4)OCO5)cc3)C2=O)cc1 ZINC000408982269 570091083 /nfs/dbraw/zinc/09/10/83/570091083.db2.gz CZRDYGDBJWDTES-XKZIYDEJSA-N 0 2 470.481 4.223 40 10 JICBLN CCc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)C2=O)cc1 ZINC000408984738 570091857 /nfs/dbraw/zinc/09/18/57/570091857.db2.gz JQBIFFXRKSJWQE-UYRXBGFRSA-N 0 2 461.430 4.092 40 10 JICBLN CCOc1c(Br)cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1OC ZINC000408987550 570092819 /nfs/dbraw/zinc/09/28/19/570092819.db2.gz PANUIYJGWKGQIL-AUWJEWJLSA-N 0 2 493.741 4.485 40 10 JICBLN CCc1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3OCc3ccc4c(c3)OCO4)C2=O)cc1 ZINC000408992469 570094461 /nfs/dbraw/zinc/09/44/61/570094461.db2.gz SVJVQJMGIKAWTD-STZFKDTASA-N 0 2 470.481 4.223 40 10 JICBLN CCCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1Cl ZINC000409043956 570108152 /nfs/dbraw/zinc/10/81/52/570108152.db2.gz BLIOHIZIULOXPW-VGOFMYFVSA-N 0 2 464.261 4.357 40 10 JICBLN O=C1/C(=C/c2cc(Br)c(O)c(Br)c2)SC(=S)N1C[C@H]1CCCO1 ZINC000409079991 570121373 /nfs/dbraw/zinc/12/13/73/570121373.db2.gz KNQNSGBNPYPKHB-DKBJHAQFSA-N 0 2 479.215 4.297 40 10 JICBLN O=C1NC(=O)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1cccn1-c1ccc([N+](=O)[O-])cc1 ZINC000409102923 570129042 /nfs/dbraw/zinc/12/90/42/570129042.db2.gz WRZDIWDEFDDONM-RVDMUPIBSA-N 0 2 471.256 4.359 40 10 JICBLN O=C(COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1)Nc1ccc(Cl)cc1 ZINC000409224268 570175590 /nfs/dbraw/zinc/17/55/90/570175590.db2.gz JPIZTRXVMASXLR-FYJGNVAPSA-N 0 2 493.878 4.163 40 10 JICBLN 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Cc1cccc(N2C(=O)NC(=O)C(=Cc3ccccc3OC(=O)C=Cc3cccc([N+](=O)[O-])c3)C2=O)c1 ZINC000408536837 570190658 /nfs/dbraw/zinc/19/06/58/570190658.db2.gz SQSLQNWOOMFTEK-CYYHYYEZSA-N 0 2 497.463 4.188 40 10 JICBLN COc1ccc(Cl)cc1-n1c(C)cc(/C=C2/C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c1C ZINC000004083553 194376357 /nfs/dbraw/zinc/37/63/57/194376357.db2.gz KIPNZLGYCAJEDU-NVMNQCDNSA-N 0 2 493.903 4.151 40 10 JICBLN O=C1NN(c2ccc(I)cc2)C(=O)/C1=C/c1ccc(Cl)cc1Cl ZINC000000824601 553787464 /nfs/dbraw/zinc/78/74/64/553787464.db2.gz XMXDTUGLJAYEMK-NTUHNPAUSA-N 0 2 459.070 4.059 40 10 JICBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000014132691 555700314 /nfs/dbraw/zinc/70/03/14/555700314.db2.gz YAUFRJXRVQMPBM-DEDYPNTBSA-N 0 2 487.468 4.157 40 10 JICBLN Cc1nn(C(=O)c2ccncc2)c(C)c1/N=N/c1ccc(S(=O)(=O)Nc2ccccn2)cc1 ZINC000017107703 556217327 /nfs/dbraw/zinc/21/73/27/556217327.db2.gz PZBNHOKAHAZCLJ-OCEACIFDSA-N 0 2 461.507 4.195 40 10 JICBLN O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(Br)c(OCc2ccccc2)c([N+](=O)[O-])c1 ZINC000033475821 569626766 /nfs/dbraw/zinc/62/67/66/569626766.db2.gz MIQHNKBHNHKCHH-WQRHYEAKSA-N 0 2 494.301 4.398 40 10 JICBLN CCOc1ccc(NC(=O)[C@@H](N=Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)C(C)=O)cc1 ZINC000104123976 569841350 /nfs/dbraw/zinc/84/13/50/569841350.db2.gz JYNHMNBLUAJXGE-LYEHZDMLSA-N 0 2 487.563 4.023 40 10 JICBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4ccc(F)cc4)c(OC)c3)C2=O)cc1 ZINC000408742305 570032543 /nfs/dbraw/zinc/03/25/43/570032543.db2.gz VYLVNIXTQBDCMF-FYJGNVAPSA-N 0 2 476.460 4.088 40 10 JICBLN COC(=O)c1ccc(C)c(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccc(C)cc4)C3=O)c2C)c1 ZINC000408782029 570041897 /nfs/dbraw/zinc/04/18/97/570041897.db2.gz VFXJFWRRLWQFDU-LPYMAVHISA-N 0 2 471.513 4.164 40 10 JICBLN Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000408782540 570042063 /nfs/dbraw/zinc/04/20/63/570042063.db2.gz ICKQSXFCBYFKHE-KEBDBYFISA-N 0 2 464.865 4.322 40 10 JICBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(Br)c1OC(C)C ZINC000408797990 570044765 /nfs/dbraw/zinc/04/47/65/570044765.db2.gz DFONGEXLIUZQRW-CXUHLZMHSA-N 0 2 473.323 4.220 40 10 JICBLN CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4cccc([N+](=O)[O-])c4)cc3)C2=O)cc1 ZINC000408801368 570045690 /nfs/dbraw/zinc/04/56/90/570045690.db2.gz AHKFOMARSCSQGC-HZHRSRAPSA-N 0 2 487.468 4.239 40 10 JICBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc(Br)c1OC(C)C ZINC000408804317 570046881 /nfs/dbraw/zinc/04/68/81/570046881.db2.gz XMYHWFSZTWKHFC-CXUHLZMHSA-N 0 2 473.323 4.220 40 10 JICBLN CCCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1OCC ZINC000408806061 570047518 /nfs/dbraw/zinc/04/75/18/570047518.db2.gz AMECCCAJQQCHFW-CXUHLZMHSA-N 0 2 473.869 4.102 40 10 JICBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4ccc(C)cc4)c(OC)c3)C2=O)cc1 ZINC000408807572 570048112 /nfs/dbraw/zinc/04/81/12/570048112.db2.gz DDXUIYHYDRCNMG-HYARGMPZSA-N 0 2 472.497 4.258 40 10 JICBLN CCCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc1OC ZINC000408817146 570050803 /nfs/dbraw/zinc/05/08/03/570050803.db2.gz ZTBQCQPJRKVKBR-GZTJUZNOSA-N 0 2 487.350 4.475 40 10 JICBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)ccc1OCc1ccccc1 ZINC000408847474 570054763 /nfs/dbraw/zinc/05/47/63/570054763.db2.gz NBPKGJYFLRCYBI-KGENOOAVSA-N 0 2 460.461 4.470 40 10 JICBLN CCOc1ccc(OCC)c(N2C(=O)NC(=O)C(=Cc3ccc(N4CCCCCC4)o3)C2=O)c1 ZINC000408850170 570055404 /nfs/dbraw/zinc/05/54/04/570055404.db2.gz HJZLZILNHAYZMR-XDJHFCHBSA-N 0 2 467.522 4.124 40 10 JICBLN O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000408852398 570055928 /nfs/dbraw/zinc/05/59/28/570055928.db2.gz KGVZZQKAWXGDSD-MHWRWJLKSA-N 0 2 455.785 4.314 40 10 JICBLN Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\C(=O)NC(=O)N(c4ccccc4)C3=O)cc2Cl)cc1 ZINC000408882791 570063452 /nfs/dbraw/zinc/06/34/52/570063452.db2.gz SFXIIJSUFFHAHC-CPNJWEJPSA-N 0 2 496.928 4.083 40 10 JICBLN CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)ccc1OCc1ccccc1 ZINC000408883939 570063861 /nfs/dbraw/zinc/06/38/61/570063861.db2.gz RVJJEVGPMRRUNV-RGEXLXHISA-N 0 2 460.461 4.470 40 10 JICBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3Cc3ccccc3Cl)C2=O)cc1 ZINC000408883816 570063883 /nfs/dbraw/zinc/06/38/83/570063883.db2.gz RBONTTAUCLTKGS-RCCKNPSSSA-N 0 2 474.900 4.384 40 10 JICBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)ccc1OCc1cccc(F)c1 ZINC000408884754 570063958 /nfs/dbraw/zinc/06/39/58/570063958.db2.gz VJKWHHFYEMYJOI-FYJGNVAPSA-N 0 2 476.460 4.175 40 10 JICBLN O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1ccc(Cc2ccccc2Br)cc1 ZINC000408885222 570064198 /nfs/dbraw/zinc/06/41/98/570064198.db2.gz XYCNBKCNGCFZAP-XSFVSMFZSA-N 0 2 477.314 4.412 40 10 JICBLN COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)c(OCc2ccccc2F)c1 ZINC000408889436 570065210 /nfs/dbraw/zinc/06/52/10/570065210.db2.gz GZRBHGRMUQEIOG-DEDYPNTBSA-N 0 2 460.461 4.388 40 10 JICBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000408895261 570066884 /nfs/dbraw/zinc/06/68/84/570066884.db2.gz DGYMVDOQRIRJNR-YBFXNURJSA-N 0 2 488.456 4.074 40 10 JICBLN Cc1ccc(S(=O)(=O)Oc2ccccc2/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1 ZINC000408898399 570067745 /nfs/dbraw/zinc/06/77/45/570067745.db2.gz KXVVKGGSPFDQPQ-PXLXIMEGSA-N 0 2 490.537 4.046 40 10 JICBLN Cc1ccc(C)c(N2C(=O)NC(=O)C(=Cc3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)C2=O)c1 ZINC000408934533 570081049 /nfs/dbraw/zinc/08/10/49/570081049.db2.gz DYCIKDOFRPKJMX-HMAPJEAMSA-N 0 2 471.469 4.457 40 10 JICBLN Cc1ccc(S(=O)(=O)Oc2cccc(/C=C3/C(=O)NC(=O)N(c4ccc(C)c(C)c4)C3=O)c2)cc1 ZINC000408936531 570081550 /nfs/dbraw/zinc/08/15/50/570081550.db2.gz KVRKDKULLWPUMR-HAHDFKILSA-N 0 2 490.537 4.046 40 10 JICBLN Cc1ccc(S(=O)(=O)Oc2cccc(/C=C3/C(=O)NC(=O)N(c4cccc(Cl)c4)C3=O)c2)cc1 ZINC000408939513 570082318 /nfs/dbraw/zinc/08/23/18/570082318.db2.gz STKUYKCWEDQSAW-BKUYFWCQSA-N 0 2 496.928 4.083 40 10 JICBLN Cc1ccc(Cl)cc1-c1ccc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)o1 ZINC000408951854 570084264 /nfs/dbraw/zinc/08/42/64/570084264.db2.gz MSVMWXQROGFCTD-LICLKQGHSA-N 0 2 450.834 4.304 40 10 JICBLN CCc1ccc(N2C(=O)NC(=O)C(=Cc3cc(C)n(-c4cc(C(=O)OC)ccc4C)c3C)C2=O)cc1 ZINC000408982937 570091339 /nfs/dbraw/zinc/09/13/39/570091339.db2.gz IZHZWHMNYBDBRB-UCQKPKSFSA-N 0 2 485.540 4.418 40 10 JICBLN O=C(COc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(F)cc2)C1=O)Nc1ccccc1 ZINC000409041995 570107799 /nfs/dbraw/zinc/10/77/99/570107799.db2.gz LUDXAIQGGJQGBA-DEDYPNTBSA-N 0 2 493.878 4.163 40 10 JICBLN CCOc1c(Br)cc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccccc2)C1=O ZINC000409043346 570107950 /nfs/dbraw/zinc/10/79/50/570107950.db2.gz QCGORZATUJOPJN-NTEUORMPSA-N 0 2 494.139 4.277 40 10 JICBLN Cc1c(Cl)cccc1N1C(=O)NC(=O)C(=Cc2ccccc2OCC(=O)Nc2ccccc2)C1=O ZINC000409045788 570108650 /nfs/dbraw/zinc/10/86/50/570108650.db2.gz HQBVYWJUZULWIQ-XMHGGMMESA-N 0 2 489.915 4.332 40 10 JICBLN Cc1c(Cl)cccc1N1C(=O)NC(=O)C(=Cc2ccc(OS(=O)(=O)c3ccccc3)cc2)C1=O ZINC000409066865 570116795 /nfs/dbraw/zinc/11/67/95/570116795.db2.gz MTRMWOHIBYAWBO-XMHGGMMESA-N 0 2 496.928 4.083 40 10 JICBLN CCCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(Br)cc3)C2=O)cc1OCC ZINC000409211719 570170154 /nfs/dbraw/zinc/17/01/54/570170154.db2.gz OAOUCIRDPOSGOK-SFQUDFHCSA-N 0 2 473.323 4.303 40 10 JICBLN COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)o1 ZINC000409236528 570180050 /nfs/dbraw/zinc/18/00/50/570180050.db2.gz SQLGFQGWNQNFMC-LFIBNONCSA-N 0 2 481.848 4.492 40 10 JICBLN Cc1c(Cl)cccc1N1C(=O)NC(=O)C(=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O ZINC000409240260 570181706 /nfs/dbraw/zinc/18/17/06/570181706.db2.gz GDHDEJNVQBTVEE-LFIBNONCSA-N 0 2 451.822 4.483 40 10 JICBLN Cc1ccccc1NC(=O)COc1ccccc1/C=C1/C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000409250647 570185643 /nfs/dbraw/zinc/18/56/43/570185643.db2.gz MHMSYHABTXGQHZ-ZHZULCJRSA-N 0 2 489.915 4.332 40 10 JICBLN Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1NC=C1C(=O)NC(=O)N(c2cccc3ccccc32)C1=O ZINC000408529061 570186971 /nfs/dbraw/zinc/18/69/71/570186971.db2.gz GVKFTBXNRFCEAU-KGENOOAVSA-N 0 2 496.483 4.129 40 10 JICBLN Cc1ccccc1NC(=O)COc1cccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)c1 ZINC000409267849 570188736 /nfs/dbraw/zinc/18/87/36/570188736.db2.gz WPLIQHDGYMHOGU-FYJGNVAPSA-N 0 2 489.915 4.332 40 10 JICBLN