smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#CCOc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)cc1[N+](=O)[O-] ZINC000034909774 555560595 /nfs/dbraw/zinc/56/05/95/555560595.db2.gz VYMSMQQCNYMSQI-ZROIWOOFSA-N 0 2 443.213 2.721 40 10 IFCBLN CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc1OC ZINC000408800045 556857754 /nfs/dbraw/zinc/85/77/54/556857754.db2.gz JQGJGVXACTXBCM-SFQUDFHCSA-N 0 2 438.436 2.937 40 10 IFCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OC(C)C)c(OC)c3)C2=O)cc1 ZINC000408804874 556860469 /nfs/dbraw/zinc/86/04/69/556860469.db2.gz ZUUJMFIDZBCSKO-GZTJUZNOSA-N 0 2 438.436 2.935 40 10 IFCBLN COc1cc(Cl)c(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1OC ZINC000408956827 556900175 /nfs/dbraw/zinc/90/01/75/556900175.db2.gz YPDZQSUFOKIPRY-LFYBBSHMSA-N 0 2 430.800 2.752 40 10 IFCBLN O=C([O-])[C@H]1C[NH2+][C@H](c2cc(Br)cc(I)c2O)S1 ZINC000408977807 556907013 /nfs/dbraw/zinc/90/70/13/556907013.db2.gz KBDKYNUZQLPECW-APPZFPTMSA-N 0 2 430.061 2.548 40 10 IFCBLN COc1cc([N+](=O)[O-])cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)c1O ZINC000408983420 556908210 /nfs/dbraw/zinc/90/82/10/556908210.db2.gz MABBQJZDVBWATN-MLPAPPSSSA-N 0 2 431.788 2.937 40 10 IFCBLN NC(=O)COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc1Cl ZINC000409225693 557013852 /nfs/dbraw/zinc/01/38/52/557013852.db2.gz NSNCFQCSUZYORD-WUXMJOGZSA-N 0 2 434.235 2.524 40 10 IFCBLN NC(=O)COc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000409223155 557017541 /nfs/dbraw/zinc/01/75/41/557017541.db2.gz HHTPQLPGNUOVHM-RIYZIHGNSA-N 0 2 434.235 2.524 40 10 IFCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)c(Br)cc1O ZINC000409233177 557024551 /nfs/dbraw/zinc/02/45/51/557024551.db2.gz ROHAIEZOHXDDMP-WUXMJOGZSA-N 0 2 432.230 2.615 40 10 IFCBLN CCOc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc(OC)c(OC)c2OC)C1=O ZINC000409245782 557027658 /nfs/dbraw/zinc/02/76/58/557027658.db2.gz ZBTZIMBZMDBCJC-WYMLVPIESA-N 0 2 426.425 2.778 40 10 IFCBLN COc1cc(Br)cc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)c1OC ZINC000409251222 557036566 /nfs/dbraw/zinc/03/65/66/557036566.db2.gz UCRVVPXKZSWNEB-NTUHNPAUSA-N 0 2 432.230 2.528 40 10 IFCBLN CCOc1ccc(N2C(=O)NC(=O)C(=CNC[C@@]3(C)C[C@H](O)CC(C)(C)C3)C2=O)cc1 ZINC000100556749 557115037 /nfs/dbraw/zinc/11/50/37/557115037.db2.gz XBYAKZDIXXTLPX-MQAJCVKKSA-N 0 2 429.517 2.719 40 10 IFCBLN Cc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc(O)c(I)c2)C1=O ZINC000014132822 557421593 /nfs/dbraw/zinc/42/15/93/557421593.db2.gz NSQBDZOKHQPSQD-XYOKQWHBSA-N 0 2 448.216 2.972 40 10 IFCBLN COc1cc([N+](=O)[O-])cc(C=C2C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c1O ZINC000059104512 557814349 /nfs/dbraw/zinc/81/43/49/557814349.db2.gz VHFRTKIKROTJPP-LFYBBSHMSA-N 0 2 427.325 2.544 40 10 IFCBLN CCOC(=O)COc1c(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC000033655127 569259498 /nfs/dbraw/zinc/25/94/98/569259498.db2.gz QFRKVMRQQKKBKV-ZSOIEALJSA-N 0 2 445.815 2.652 40 10 IFCBLN COC(=O)[C@H](C)Oc1c(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC000107732436 569260573 /nfs/dbraw/zinc/26/05/73/569260573.db2.gz BNBOGBOYJKZOQU-KSSSLANASA-N 0 2 445.815 2.650 40 10 IFCBLN COc1ccc(N2C(=O)NC(=O)C(=CNc3ccc(C(=O)N4CCCCC4)cc3)C2=O)cc1 ZINC000408533068 555745928 /nfs/dbraw/zinc/74/59/28/555745928.db2.gz NZXHSNIQZZUBCR-HKWRFOASSA-N 0 2 448.479 2.900 40 10 IFCBLN COC(=O)c1cc(NC=C2C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)ccc1Cl ZINC000408533720 555747835 /nfs/dbraw/zinc/74/78/35/555747835.db2.gz OWKMTFMGYPSHCC-GDNBJRDFSA-N 0 2 429.816 2.714 40 10 IFCBLN CNS(=O)(=O)c1ccc(N=Cc2c(C)[nH]n(-c3ccc(Cl)c(OC)c3)c2=O)cc1 ZINC000408536458 555772098 /nfs/dbraw/zinc/77/20/98/555772098.db2.gz WNVYHKOBRFDZBD-WJDWOHSUSA-N 0 2 434.905 2.975 40 10 IFCBLN COc1cc(N2C(=O)NC(=O)C(=Cc3ccc([N+](=O)[O-])cc3)C2=O)c(OC)cc1Cl ZINC000408780040 556854387 /nfs/dbraw/zinc/85/43/87/556854387.db2.gz QTZSUXWNTBVLSZ-KPKJPENVSA-N 0 2 431.788 2.932 40 10 IFCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(Cl)c1O ZINC000408897431 556883073 /nfs/dbraw/zinc/88/30/73/556883073.db2.gz WYUMLHDOJYDGSC-RIYZIHGNSA-N 0 2 444.827 2.897 40 10 IFCBLN Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c(C)n1-c1ccc(C(N)=O)cc1 ZINC000408902322 556885283 /nfs/dbraw/zinc/88/52/83/556885283.db2.gz HKBWDKYAMXISGC-UDWIEESQSA-N 0 2 446.438 2.999 40 10 IFCBLN NC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)cc1 ZINC000408961150 556900810 /nfs/dbraw/zinc/90/08/10/556900810.db2.gz ASNWIAWCXFFXIC-XYOKQWHBSA-N 0 2 434.235 2.524 40 10 IFCBLN NC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1Cl ZINC000409218098 557012626 /nfs/dbraw/zinc/01/26/26/557012626.db2.gz CRGOBCWNQGKIGA-NTUHNPAUSA-N 0 2 434.235 2.524 40 10 IFCBLN COc1cc(Br)c(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)cc1OC ZINC000409238281 557019766 /nfs/dbraw/zinc/01/97/66/557019766.db2.gz DCBTZLZTBYYOSE-WUXMJOGZSA-N 0 2 432.230 2.528 40 10 IFCBLN COC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4cccnc4)C3=O)c2C)cc1 ZINC000409232410 557024469 /nfs/dbraw/zinc/02/44/69/557024469.db2.gz HGZRZPOKJUYGDF-UDWIEESQSA-N 0 2 444.447 2.942 40 10 IFCBLN CCOc1cc(Br)c(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)cc1OC ZINC000409392067 557096520 /nfs/dbraw/zinc/09/65/20/557096520.db2.gz KPOGDRVOBLEMDG-MDWZMJQESA-N 0 2 446.257 2.918 40 10 IFCBLN COc1cc(OC)c(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)cc1Br ZINC000409394092 557098054 /nfs/dbraw/zinc/09/80/54/557098054.db2.gz VNHHRRMIRZQYEQ-KPKJPENVSA-N 0 2 432.230 2.528 40 10 IFCBLN CCOc1ccc(N2C(=O)NC(=O)C(=CNC[C@@]3(C)C[C@@H](O)CC(C)(C)C3)C2=O)cc1 ZINC000100556753 557115141 /nfs/dbraw/zinc/11/51/41/557115141.db2.gz XBYAKZDIXXTLPX-UJXODLGFSA-N 0 2 429.517 2.719 40 10 IFCBLN N#CCOc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1I ZINC000108103063 569260792 /nfs/dbraw/zinc/26/07/92/569260792.db2.gz LLVSDARROKEBAX-UVTDQMKNSA-N 0 2 445.216 2.655 40 10 IFCBLN C#CCOc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)cc1[N+](=O)[O-] ZINC000108917937 569260920 /nfs/dbraw/zinc/26/09/20/569260920.db2.gz JVMNXQRVOJCWHR-GDNBJRDFSA-N 0 2 442.225 2.831 40 10 IFCBLN Cc1ccc(N2C(=O)NC(=O)C(=CNc3ccc([N+](=O)[O-])c([N+](=O)[O-])c3)C2=O)cc1C ZINC000408535984 555757725 /nfs/dbraw/zinc/75/77/25/555757725.db2.gz VBSKJVGENZISCD-NTEUORMPSA-N 0 2 425.357 2.699 40 10 IFCBLN Cc1ccccc1N1C(=O)NC(=O)C(=CNc2cc3[nH]c(=O)[nH]c3cc2N2CCCC2)C1=O ZINC000408536015 555758092 /nfs/dbraw/zinc/75/80/92/555758092.db2.gz VFNZOUQWDNMEPX-WYMLVPIESA-N 0 2 446.467 2.756 40 10 IFCBLN CCN(CC)c1cc2[nH]c(=O)[nH]c2cc1NC=C1C(=O)NC(=O)N(c2ccccc2)C1=O ZINC000408536043 555758359 /nfs/dbraw/zinc/75/83/59/555758359.db2.gz VJPLWLYEEUALFP-WYMLVPIESA-N 0 2 434.456 2.694 40 10 IFCBLN Cc1nnc(NS(=O)(=O)c2ccc(NNC3=NC4=NC(N)=NC(=S)C4=N3)cc2)s1 ZINC000016983252 556652104 /nfs/dbraw/zinc/65/21/04/556652104.db2.gz IUDDFJPMXCWYOC-QURGRASLSA-N 0 2 448.519 2.600 40 10 IFCBLN COc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc3c(c2)OCO3)C1=O ZINC000408948766 556898650 /nfs/dbraw/zinc/89/86/50/556898650.db2.gz GMDLPKNEUXHBNV-NTUHNPAUSA-N 0 2 445.225 2.853 40 10 IFCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Cl)c1O ZINC000408952375 556898873 /nfs/dbraw/zinc/89/88/73/556898873.db2.gz NMCOGRYZBMRWFQ-LFYBBSHMSA-N 0 2 430.800 2.839 40 10 IFCBLN O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1ccc(O)c(I)c1 ZINC000408961173 556900838 /nfs/dbraw/zinc/90/08/38/556900838.db2.gz BDBGPYKMYJRPFH-XYOKQWHBSA-N 0 2 434.189 2.663 40 10 IFCBLN COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc([N+](=O)[O-])c1O ZINC000408981196 556907725 /nfs/dbraw/zinc/90/77/25/556907725.db2.gz ABKBIUJJUSSNMJ-XGICHPGQSA-N 0 2 431.788 2.937 40 10 IFCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc4c(cc3[N+](=O)[O-])OCO4)C2=O)cc1Cl ZINC000408986543 556909651 /nfs/dbraw/zinc/90/96/51/556909651.db2.gz MVYGVTYLXLOXKS-UUILKARUSA-N 0 2 429.772 2.952 40 10 IFCBLN CCOc1cccc(N2C(=O)NC(=O)C(=Cc3ccc(N4CCOCC4)cc3C)C2=O)c1 ZINC000409107907 556959624 /nfs/dbraw/zinc/95/96/24/556959624.db2.gz XZACWOHKQCZIRK-KGENOOAVSA-N 0 2 435.480 2.897 40 10 IFCBLN CCOc1cc(Br)c(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)cc1OC ZINC000409222058 557017185 /nfs/dbraw/zinc/01/71/85/557017185.db2.gz BSJMGPKABZJUHF-NTUHNPAUSA-N 0 2 446.257 2.918 40 10 IFCBLN CCOc1ccccc1N1C(=O)NC(=O)C(=Cc2c(OC)cc(OC)cc2OC)C1=O ZINC000409231675 557023268 /nfs/dbraw/zinc/02/32/68/557023268.db2.gz FIEFFNYOSIWDFI-NTCAYCPXSA-N 0 2 426.425 2.778 40 10 IFCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)cc(Br)c1O ZINC000409245699 557027378 /nfs/dbraw/zinc/02/73/78/557027378.db2.gz XSMQBGNYVMLRGY-WUXMJOGZSA-N 0 2 432.230 2.615 40 10 IFCBLN COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)c1OCC#N ZINC000108221864 569260925 /nfs/dbraw/zinc/26/09/25/569260925.db2.gz KZZTTXQAFAUJDZ-ZROIWOOFSA-N 0 2 428.242 2.821 40 10 IFCBLN O=C1NC(=O)N(c2cccc3ccccc32)C(=O)C1=CNC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000408526207 555715276 /nfs/dbraw/zinc/71/52/76/555715276.db2.gz AZXZBNSWDXPBSA-YWFITGJYSA-N 0 2 446.419 2.538 40 10 IFCBLN CN(C)c1cc2[nH]c(=O)[nH]c2cc1NC=C1C(=O)NC(=O)N(c2cccc(Cl)c2)C1=O ZINC000408530027 555726378 /nfs/dbraw/zinc/72/63/78/555726378.db2.gz IKROFVOHDVXHCT-XFXZXTDPSA-N 0 2 440.847 2.567 40 10 IFCBLN Cc1n[nH]c(C)c1NC=C1C(=O)NC(=O)N(c2cc(C)c(Br)cc2C)C1=O ZINC000408534813 555754984 /nfs/dbraw/zinc/75/49/84/555754984.db2.gz RIDDNDUFFAPWNX-KPKJPENVSA-N 0 2 432.278 2.985 40 10 IFCBLN O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)C1=CNc1ccc([N+](=O)[O-])c([N+](=O)[O-])c1 ZINC000016427973 556606854 /nfs/dbraw/zinc/60/68/54/556606854.db2.gz PPLPUVBIDGIQAN-WQLSENKSSA-N 0 2 431.748 2.735 40 10 IFCBLN CSc1nc(N)c(N=Nc2ccc(S(=O)(=O)Nc3nnc(C)s3)cc2)c(=O)[nH]1 ZINC000017021139 556653382 /nfs/dbraw/zinc/65/33/82/556653382.db2.gz JTGRMOQVNQJUFW-FMQUCBEESA-N 0 2 438.520 2.862 40 10 IFCBLN CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc1OCC ZINC000408799992 556858001 /nfs/dbraw/zinc/85/80/01/556858001.db2.gz MMCNQFSLHNPALL-SFQUDFHCSA-N 0 2 438.436 2.937 40 10 IFCBLN COc1cc(OC)c([N+](=O)[O-])cc1/C=C1\C(=O)NC(=O)N(c2ccc(C)c(C)c2)C1=O ZINC000408850858 556871001 /nfs/dbraw/zinc/87/10/01/556871001.db2.gz SJELEPLYXKZAPN-OVCLIPMQSA-N 0 2 425.397 2.895 40 10 IFCBLN CCOc1cc([N+](=O)[O-])cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)c1O ZINC000408899374 556881951 /nfs/dbraw/zinc/88/19/51/556881951.db2.gz OUXARALLHYHGPY-CXUHLZMHSA-N 0 2 425.397 2.982 40 10 IFCBLN O=C([O-])[C@@H]1C[NH2+][C@H](c2cc(Br)cc(I)c2O)S1 ZINC000408977813 556907019 /nfs/dbraw/zinc/90/70/19/556907019.db2.gz KBDKYNUZQLPECW-CBAPKCEASA-N 0 2 430.061 2.548 40 10 IFCBLN CCOc1cccc(N2C(=O)NC(=O)C(=Cc3ccc(N4CCOCC4)c(F)c3)C2=O)c1 ZINC000409136143 556969740 /nfs/dbraw/zinc/96/97/40/556969740.db2.gz STKSUOGVVHMJAB-LDADJPATSA-N 0 2 439.443 2.727 40 10 IFCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(Br)cc3)C2=O)cc1 ZINC000409209039 556998090 /nfs/dbraw/zinc/99/80/90/556998090.db2.gz FHNMYRYPFIKMDZ-XNTDXEJSSA-N 0 2 429.226 2.902 40 10 IFCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)cc(Br)c1OC ZINC000409221348 557016878 /nfs/dbraw/zinc/01/68/78/557016878.db2.gz PACRNYCYJIPXSH-NTUHNPAUSA-N 0 2 446.257 2.918 40 10 IFCBLN COc1cc(N2CCOCC2)ccc1/C=C1\C(=O)NC(=O)N(c2ccc(C)c(C)c2)C1=O ZINC000409237547 557019174 /nfs/dbraw/zinc/01/91/74/557019174.db2.gz VFCOJQSSJSTZHR-DEDYPNTBSA-N 0 2 435.480 2.815 40 10 IFCBLN COc1cc(/C=C2/C(=O)NC(=O)N(c3cccnc3)C2=O)cc(Br)c1OC ZINC000409239401 557020801 /nfs/dbraw/zinc/02/08/01/557020801.db2.gz NENFKJAFJSYTQS-SDQBBNPISA-N 0 2 432.230 2.528 40 10 IFCBLN CCOC(=O)COc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)cc1[N+](=O)[O-] ZINC000033370919 569259240 /nfs/dbraw/zinc/25/92/40/569259240.db2.gz XAOYWXUTABGSFW-DHDCSXOGSA-N 0 2 445.815 2.652 40 10 IFCBLN N#CCOc1c(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC000033605308 569259527 /nfs/dbraw/zinc/25/95/27/569259527.db2.gz RWQFXVPVCFINEB-JYRVWZFOSA-N 0 2 443.213 2.721 40 10 IFCBLN COc1ccc(N2C(=O)NC(=O)C(=CN=c3[nH]c4ccc(Cl)cc4s3)C2=O)cc1 ZINC000408527134 569584589 /nfs/dbraw/zinc/58/45/89/569584589.db2.gz CTNCQWLXAVPFGX-LCYFTJDESA-N 0 2 428.857 3.537 40 10 IFCBLN COc1cc(Br)c(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1OC ZINC000409210979 557005657 /nfs/dbraw/zinc/00/56/57/557005657.db2.gz MJMQDQWDRPQKNY-NTUHNPAUSA-N 0 2 447.241 2.838 40 10 IFCBLN COC(=O)c1ccccc1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)c1C ZINC000409238002 557019724 /nfs/dbraw/zinc/01/97/24/557019724.db2.gz JUWGJIUWNPYKPA-XDHOZWIPSA-N 0 2 444.447 2.942 40 10 IFCBLN COc1cc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)cc([N+](=O)[O-])c1O ZINC000409329417 557063811 /nfs/dbraw/zinc/06/38/11/557063811.db2.gz FSNMWFVFFVZAIH-KPKJPENVSA-N 0 2 437.480 2.917 40 10 IFCBLN COC(=O)c1ccccc1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)c1C ZINC000409392152 557096581 /nfs/dbraw/zinc/09/65/81/557096581.db2.gz LNHWUROYTCKBRI-CPNJWEJPSA-N 0 2 444.447 2.942 40 10 IFCBLN CCOc1ccc(N2C(=O)NC(=O)C(=CNC[C@]3(C)C[C@@H](O)CC(C)(C)C3)C2=O)cc1 ZINC000100556751 557115046 /nfs/dbraw/zinc/11/50/46/557115046.db2.gz XBYAKZDIXXTLPX-RJMSQQIXSA-N 0 2 429.517 2.719 40 10 IFCBLN COC(=O)[C@@H](C)Oc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)cc1[N+](=O)[O-] ZINC000033528475 569259294 /nfs/dbraw/zinc/25/92/94/569259294.db2.gz RXQUBDXAGUBMLX-PDICVPPASA-N 0 2 445.815 2.650 40 10 IFCBLN COc1ccc(N2C(=O)NC(=O)C(=CNNc3ccc(Br)cc3)C2=O)cc1 ZINC000408535500 555764093 /nfs/dbraw/zinc/76/40/93/555764093.db2.gz YPROOEVVKSINIX-GDNBJRDFSA-N 0 2 431.246 2.541 40 10 IFCBLN CCn1c2ccc(NC=C3C(=O)NC(=O)N(c4ccccc4C)C3=O)cc2n(CC)c1=O ZINC000408536620 555773338 /nfs/dbraw/zinc/77/33/38/555773338.db2.gz WVZPVVPQXZYMIN-DTQAZKPQSA-N 0 2 433.468 2.730 40 10 IFCBLN CCOC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OC)c(OCC)c3)C2=O)cc1 ZINC000408802509 556859460 /nfs/dbraw/zinc/85/94/60/556859460.db2.gz YLIKDKLUIIODTQ-SFQUDFHCSA-N 0 2 438.436 2.937 40 10 IFCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)ccc3O)C2=O)cc1 ZINC000408888548 556878784 /nfs/dbraw/zinc/87/87/84/556878784.db2.gz WXUUBJZAZAACJP-NTEUORMPSA-N 0 2 445.225 2.608 40 10 IFCBLN Cc1ccc(Cl)cc1N1C(=O)NC(=O)C(=Cc2ccc(OCC(N)=O)c(Cl)c2)C1=O ZINC000409219724 557013476 /nfs/dbraw/zinc/01/34/76/557013476.db2.gz PLDFTKSHEAMMEP-AWNIVKPZSA-N 0 2 448.262 2.832 40 10 IFCBLN CCOc1ccccc1N1C(=O)NC(=O)C(=Cc2cc(OC)c(OC)c(OC)c2)C1=O ZINC000409237105 557018778 /nfs/dbraw/zinc/01/87/78/557018778.db2.gz IZEYCZDGCLZMQL-GXDHUFHOSA-N 0 2 426.425 2.778 40 10 IFCBLN CCOc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc(N3CCOCC3)c(C)c2)C1=O ZINC000409243162 557033151 /nfs/dbraw/zinc/03/31/51/557033151.db2.gz ZHXAYHAORBHNQI-OBGWFSINSA-N 0 2 435.480 2.897 40 10 IFCBLN COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)o1 ZINC000409392737 557097140 /nfs/dbraw/zinc/09/71/40/557097140.db2.gz NIDPHDXJYSBNKM-LFIBNONCSA-N 0 2 434.364 2.925 40 10 IFCBLN COC(=O)[C@@H](C)Oc1c(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC000107732444 569260471 /nfs/dbraw/zinc/26/04/71/569260471.db2.gz BNBOGBOYJKZOQU-ZEVOCZHWSA-N 0 2 445.815 2.650 40 10 IFCBLN COc1cc(Br)cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1OCC#N ZINC000108116586 569260812 /nfs/dbraw/zinc/26/08/12/569260812.db2.gz RMMQCDIMDFUIRK-XNTDXEJSSA-N 0 2 428.242 2.821 40 10 IFCBLN COc1ccc(N2C(=O)NC(=O)C(=CNc3cc(Cl)c([N+](=O)[O-])cc3OC)C2=O)cc1 ZINC000408530876 555726662 /nfs/dbraw/zinc/72/66/62/555726662.db2.gz MYRSPKPMOXOUOO-XFXZXTDPSA-N 0 2 446.803 2.844 40 10 IFCBLN CCOC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC)c(OC)c3)C2=O)cc1 ZINC000408812950 556861073 /nfs/dbraw/zinc/86/10/73/556861073.db2.gz PYFJBCDVGKPVDL-SFQUDFHCSA-N 0 2 438.436 2.937 40 10 IFCBLN O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1cc(Br)ccc1O ZINC000408884748 556877798 /nfs/dbraw/zinc/87/77/98/556877798.db2.gz VHOLBWTUSLZRRY-NTUHNPAUSA-N 0 2 432.186 2.729 40 10 IFCBLN NC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000408904003 556883747 /nfs/dbraw/zinc/88/37/47/556883747.db2.gz CDYXGRAMOGQDAT-NTUHNPAUSA-N 0 2 434.235 2.524 40 10 IFCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc([N+](=O)[O-])c1O ZINC000409204101 557002951 /nfs/dbraw/zinc/00/29/51/557002951.db2.gz BBTXEKWHXKAIIN-LFYBBSHMSA-N 0 2 431.788 2.937 40 10 IFCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)c(Br)cc1OC ZINC000409389508 557100657 /nfs/dbraw/zinc/10/06/57/557100657.db2.gz BRJBGTXCQDIRPD-MDWZMJQESA-N 0 2 446.257 2.918 40 10 IFCBLN COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)cc1OC(C)=O ZINC000033648898 569259459 /nfs/dbraw/zinc/25/94/59/569259459.db2.gz LIOQVPHXRYDASG-ZSOIEALJSA-N 0 2 431.242 2.844 40 10 IFCBLN O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)C1=Cc1ccc(N2CCOCC2)c(F)c1 ZINC000096504872 569260453 /nfs/dbraw/zinc/26/04/53/569260453.db2.gz IQDGZGADCBUOCU-OQLLNIDSSA-N 0 2 439.399 2.898 40 10 IFCBLN CC(=O)Oc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)cc1[N+](=O)[O-] ZINC000110215946 569261056 /nfs/dbraw/zinc/26/10/56/569261056.db2.gz HULJPVZIDXBHMW-ZSOIEALJSA-N 0 2 446.213 2.744 40 10 IFCBLN Cc1cc(N2C(=O)NC(=O)C(=CNC(=O)c3ccccc3)C2=O)c(C)cc1Br ZINC000408533675 555747542 /nfs/dbraw/zinc/74/75/42/555747542.db2.gz OTFOWBPDVCSVBE-GXDHUFHOSA-N 0 2 442.269 2.963 40 10 IFCBLN NS(=O)(=O)c1ccc(-c2ccc(/C=C3/C(=O)NN(c4ccc(Cl)cc4)C3=O)o2)cc1 ZINC000016429454 556607300 /nfs/dbraw/zinc/60/73/00/556607300.db2.gz NUCQPYUWOKZOKD-BOPFTXTBSA-N 0 2 443.868 2.709 40 10 IFCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Cl)c1OC ZINC000408808682 556861602 /nfs/dbraw/zinc/86/16/02/556861602.db2.gz MYEMNRDSKYBUNV-AWNIVKPZSA-N 0 2 431.788 2.932 40 10 IFCBLN O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cccn1-c1cccc([N+](=O)[O-])c1 ZINC000408952502 556898785 /nfs/dbraw/zinc/89/87/85/556898785.db2.gz NZWHYBHDMRTNPR-LICLKQGHSA-N 0 2 446.375 2.781 40 10 IFCBLN COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1Br ZINC000408957059 556900194 /nfs/dbraw/zinc/90/01/94/556900194.db2.gz ZXUYZAUWTSJWFZ-WUXMJOGZSA-N 0 2 445.225 2.853 40 10 IFCBLN NC(=O)COc1cccc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c1 ZINC000409217605 557012303 /nfs/dbraw/zinc/01/23/03/557012303.db2.gz DQMPYCZLCDFDFY-QPEQYQDCSA-N 0 2 434.235 2.524 40 10 IFCBLN COc1cc(Br)c(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)cc1OC ZINC000409389146 557100453 /nfs/dbraw/zinc/10/04/53/557100453.db2.gz AMIXNWOYNLVFTG-KPKJPENVSA-N 0 2 432.230 2.528 40 10 IFCBLN Cc1cc(NS(=O)(=O)c2ccc(N=Nc3c(N)[nH]c(=S)[nH]c3=O)cc2)nc(C)n1 ZINC000104091247 557320479 /nfs/dbraw/zinc/32/04/79/557320479.db2.gz WZLQPTJKCATQQO-FCQUAONHSA-N 0 2 432.491 2.676 40 10 IFCBLN Cc1nnc(NS(=O)(=O)c2ccc(NNC3=NC4=NC(N)=NC(=S)C4=N3)cc2)s1 ZINC000104143448 557321408 /nfs/dbraw/zinc/32/14/08/557321408.db2.gz IUDDFJPMXCWYOC-DQRAZIAOSA-N 0 2 448.519 2.600 40 10 IFCBLN COc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(O)c([N+](=O)[O-])c3)SC2=S)cc1 ZINC000033695033 569259569 /nfs/dbraw/zinc/25/95/69/569259569.db2.gz YSNBKSQZOSIGCL-OQLLNIDSSA-N 0 2 431.451 2.855 40 10 IFCBLN COc1cc(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1OCC#N ZINC000108116582 569260823 /nfs/dbraw/zinc/26/08/23/569260823.db2.gz RMMQCDIMDFUIRK-GDNBJRDFSA-N 0 2 428.242 2.821 40 10 IFCBLN CSc1nc(N)c(N=Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)c(=O)[nH]1 ZINC000017021145 556653312 /nfs/dbraw/zinc/65/33/12/556653312.db2.gz YBEJHDLFVHXJDY-GHVJWSGMSA-N 0 2 432.491 2.801 40 10 IFCBLN CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cn(CC(=O)OC)c4ccccc34)C2=O)cc1 ZINC000408780317 556854234 /nfs/dbraw/zinc/85/42/34/556854234.db2.gz AWXLKMXMRDMWMP-XDHOZWIPSA-N 0 2 447.447 2.879 40 10 IFCBLN CCOC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OC)cc3OCC)C2=O)cc1 ZINC000408808384 556861492 /nfs/dbraw/zinc/86/14/92/556861492.db2.gz FWFQOVCIHLLVSA-LDADJPATSA-N 0 2 438.436 2.937 40 10 IFCBLN O=C1NC(=O)N(c2cccc(F)c2)C(=O)/C1=C\c1cc2c(cc1Br)OCO2 ZINC000408915812 556890543 /nfs/dbraw/zinc/89/05/43/556890543.db2.gz ZHDHYTBBAJOFSV-QCDXTXTGSA-N 0 2 433.189 2.983 40 10 IFCBLN CC(C)OC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3F)C2=O)cc1 ZINC000409187812 556988387 /nfs/dbraw/zinc/98/83/87/556988387.db2.gz UOLQQDWVETYCCD-LFIBNONCSA-N 0 2 426.400 2.823 40 10 IFCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)ccc3OCC(N)=O)C2=O)cc1Cl ZINC000409219505 557013118 /nfs/dbraw/zinc/01/31/18/557013118.db2.gz NGXLMEONRYXXOV-VGOFMYFVSA-N 0 2 448.262 2.832 40 10 IFCBLN COC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4cccnc4)C3=O)c2C)c1 ZINC000409228627 557015321 /nfs/dbraw/zinc/01/53/21/557015321.db2.gz BTRDFLOWSVTJCB-UDWIEESQSA-N 0 2 444.447 2.942 40 10 IFCBLN Cc1ccc(Cl)cc1N1C(=O)NC(=O)C(=Cc2cc(Cl)ccc2OCC(N)=O)C1=O ZINC000409223184 557017586 /nfs/dbraw/zinc/01/75/86/557017586.db2.gz FQAKPHDAWSEZRO-VGOFMYFVSA-N 0 2 448.262 2.832 40 10 IFCBLN Cc1c(Cl)cccc1N1C(=O)NC(=O)C(=Cc2ccc(OCC(N)=O)c(Cl)c2)C1=O ZINC000409223546 557017649 /nfs/dbraw/zinc/01/76/49/557017649.db2.gz IIUKFVKMFCNWMG-KPKJPENVSA-N 0 2 448.262 2.832 40 10 IFCBLN COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)o1 ZINC000409230570 557022326 /nfs/dbraw/zinc/02/23/26/557022326.db2.gz FNZRJICVJCRTLO-MHWRWJLKSA-N 0 2 434.364 2.925 40 10 IFCBLN COc1cc(N2CCOCC2)ccc1/C=C1\C(=O)NC(=O)N(c2cccc(C)c2C)C1=O ZINC000409247409 557028486 /nfs/dbraw/zinc/02/84/86/557028486.db2.gz HCVRIISJSBZOJQ-CPNJWEJPSA-N 0 2 435.480 2.815 40 10 IFCBLN Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)c(C)n1-c1ccc2c(c1)OCO2 ZINC000409394044 557098122 /nfs/dbraw/zinc/09/81/22/557098122.db2.gz UVJHHRNDZCTEQS-VCHYOVAHSA-N 0 2 430.420 2.884 40 10 IFCBLN CCOc1ccc(N2C(=O)NC(=O)C(=CNC[C@]3(C)C[C@H](O)CC(C)(C)C3)C2=O)cc1 ZINC000100556747 557115018 /nfs/dbraw/zinc/11/50/18/557115018.db2.gz XBYAKZDIXXTLPX-OULPAXMSSA-N 0 2 429.517 2.719 40 10 IFCBLN CSc1nc(N)c(N=Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)c(=O)[nH]1 ZINC000104090709 557320014 /nfs/dbraw/zinc/32/00/14/557320014.db2.gz YBEJHDLFVHXJDY-FCQUAONHSA-N 0 2 432.491 2.801 40 10 IFCBLN CC(=O)Oc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1I ZINC000035387638 569260206 /nfs/dbraw/zinc/26/02/06/569260206.db2.gz WSRHRDILJBNIRI-ZROIWOOFSA-N 0 2 448.216 2.678 40 10 IFCBLN COc1ccc2[nH]c(=NC=C3C(=O)NC(=O)N(c4ccccc4Cl)C3=O)sc2c1 ZINC000408531687 569584677 /nfs/dbraw/zinc/58/46/77/569584677.db2.gz LDWVVQWJMYSZEP-PKNBQFBNSA-N 0 2 428.857 3.537 40 10 IFCBLN COc1ccccc1N1C(=O)NC(=O)C(=CN=c2[nH]c3ccc(Cl)cc3s2)C1=O ZINC000408532298 569584843 /nfs/dbraw/zinc/58/48/43/569584843.db2.gz QFOGAOXVMIJECQ-PKNBQFBNSA-N 0 2 428.857 3.537 40 10 IFCBLN Cc1ccc(C)c(N2C(=O)NC(=O)C(=CNc3cc4[nH]c(=O)[nH]c4cc3N(C)C)C2=O)c1 ZINC000408528467 555719033 /nfs/dbraw/zinc/71/90/33/555719033.db2.gz GCNUEXSEVBRFGY-JLHYYAGUSA-N 0 2 434.456 2.530 40 10 IFCBLN CCOc1cccc(N2C(=O)/C(=C/c3cc(OC)c(O)c([N+](=O)[O-])c3)C(=O)NC2=S)c1 ZINC000408740693 556213033 /nfs/dbraw/zinc/21/30/33/556213033.db2.gz LUPJFNZFTJOQGC-VGOFMYFVSA-N 0 2 443.437 2.539 40 10 IFCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)c(OC)c(OC)c3)C2=O)cc1 ZINC000408797160 556857617 /nfs/dbraw/zinc/85/76/17/556857617.db2.gz BMAXPGIWHBNKKK-RIYZIHGNSA-N 0 2 444.827 2.810 40 10 IFCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OC)cc3OC(C)C)C2=O)cc1 ZINC000408805501 556860879 /nfs/dbraw/zinc/86/08/79/556860879.db2.gz KTZPGHJLDRPPHQ-WOJGMQOQSA-N 0 2 438.436 2.935 40 10 IFCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c(Br)cc1O ZINC000408850979 556870959 /nfs/dbraw/zinc/87/09/59/556870959.db2.gz SSNWITQJOWPPNN-WUXMJOGZSA-N 0 2 435.205 2.969 40 10 IFCBLN O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(I)o1 ZINC000408853933 556871435 /nfs/dbraw/zinc/87/14/35/556871435.db2.gz SZLBDVWTVJQNQB-YRNVUSSQSA-N 0 2 426.141 2.690 40 10 IFCBLN COc1cc(I)cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)c1 ZINC000408884125 556877814 /nfs/dbraw/zinc/87/78/14/556877814.db2.gz WUTIAWUMQGZQOF-OQLLNIDSSA-N 0 2 448.216 2.966 40 10 IFCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Cl)c1OC ZINC000408942963 556897546 /nfs/dbraw/zinc/89/75/46/556897546.db2.gz RIJTWYMSCKPRJE-NTUHNPAUSA-N 0 2 431.788 2.932 40 10 IFCBLN NC(=O)COc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2cccc(Cl)c2)C1=O ZINC000409217688 557012405 /nfs/dbraw/zinc/01/24/05/557012405.db2.gz FFPPBFTWJWQMPD-VGOFMYFVSA-N 0 2 434.235 2.524 40 10 IFCBLN COc1cc(N2CCOCC2)ccc1/C=C1\C(=O)NC(=O)N(c2cccc(Cl)c2)C1=O ZINC000409242197 557032378 /nfs/dbraw/zinc/03/23/78/557032378.db2.gz VJLCIJVXPGLYIK-WOJGMQOQSA-N 0 2 441.871 2.852 40 10 IFCBLN CCc1ccc(N2C(=O)/C(=C/c3cc(OC)c(O)c([N+](=O)[O-])c3)C(=O)NC2=S)cc1 ZINC000409379281 557094259 /nfs/dbraw/zinc/09/42/59/557094259.db2.gz VQLFGGJBCRGOOZ-RIYZIHGNSA-N 0 2 427.438 2.703 40 10 IFCBLN COc1cc(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)c1OC ZINC000409390606 557095144 /nfs/dbraw/zinc/09/51/44/557095144.db2.gz GCNPPWGGLBUNJH-MDWZMJQESA-N 0 2 432.230 2.528 40 10 IFCBLN COC(=O)[C@H](C)Oc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)cc1[N+](=O)[O-] ZINC000033528477 569259330 /nfs/dbraw/zinc/25/93/30/569259330.db2.gz RXQUBDXAGUBMLX-GPILYODUSA-N 0 2 445.815 2.650 40 10 IFCBLN COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)cc1OCC#N ZINC000108116827 569260803 /nfs/dbraw/zinc/26/08/03/569260803.db2.gz KUYYDPMQBWQXKG-ZROIWOOFSA-N 0 2 428.242 2.821 40 10 IFCBLN O=C1NC(=O)N(c2ccccc2Cl)C(=O)C1=CNc1nnc(-c2ccccc2)s1 ZINC000408528198 569584135 /nfs/dbraw/zinc/58/41/35/569584135.db2.gz HCGQVNGBXJDQEV-ZRDIBKRKSA-N 0 2 425.857 3.437 40 10 IFCBLN Cc1nn(C)c(C)c1NC=C1C(=O)NC(=O)N(c2ccc(Br)c(C)c2C)C1=O ZINC000408526141 555715240 /nfs/dbraw/zinc/71/52/40/555715240.db2.gz AGNDAIFOFYVMGE-MDWZMJQESA-N 0 2 446.305 2.995 40 10 IFCBLN O=C1NC(=O)N(c2cccc3ccccc32)C(=O)C1=CNC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000408526205 555715313 /nfs/dbraw/zinc/71/53/13/555715313.db2.gz AZXZBNSWDXPBSA-VOMPUTFMSA-N 0 2 446.419 2.538 40 10 IFCBLN COc1ccccc1NNC=C1C(=O)NC(=O)N(c2ccc(Br)c(C)c2)C1=O ZINC000408526637 555715970 /nfs/dbraw/zinc/71/59/70/555715970.db2.gz CTSOVADBKIPVBW-JLHYYAGUSA-N 0 2 445.273 2.850 40 10 IFCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc([N+](=O)[O-])c1O ZINC000408852709 556869874 /nfs/dbraw/zinc/86/98/74/556869874.db2.gz VSFOSLGAATZSTD-OVCLIPMQSA-N 0 2 425.397 2.982 40 10 IFCBLN O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc(O)c(Br)c1 ZINC000408956692 556900155 /nfs/dbraw/zinc/90/01/55/556900155.db2.gz XYPYSGYTIKZZMK-VZUCSPMQSA-N 0 2 431.198 2.550 40 10 IFCBLN COc1cc2c(cc1/C=C1\C(=O)NC(=O)N(c3ccc(Br)cc3)C1=O)OCO2 ZINC000408961275 556900938 /nfs/dbraw/zinc/90/09/38/556900938.db2.gz MCOFSGXFNPRENA-AWNIVKPZSA-N 0 2 445.225 2.853 40 10 IFCBLN O=C([O-])[C@H]1C[NH2+][C@@H](c2cc(Br)cc(I)c2O)S1 ZINC000408977817 556907035 /nfs/dbraw/zinc/90/70/35/556907035.db2.gz KBDKYNUZQLPECW-VXNVDRBHSA-N 0 2 430.061 2.548 40 10 IFCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)c(Br)cc1OC ZINC000409234989 557025846 /nfs/dbraw/zinc/02/58/46/557025846.db2.gz AGPUYXWTSGBCRH-NTUHNPAUSA-N 0 2 446.257 2.918 40 10 IFCBLN COC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccncc4)C3=O)c2C)cc1 ZINC000409392081 557096571 /nfs/dbraw/zinc/09/65/71/557096571.db2.gz KRLCHGFWFGGTPN-DEDYPNTBSA-N 0 2 444.447 2.942 40 10 IFCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)cc(Br)c1O ZINC000409392463 557096882 /nfs/dbraw/zinc/09/68/82/557096882.db2.gz MSWCQEKOGYWQLA-KPKJPENVSA-N 0 2 432.230 2.615 40 10 IFCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)cc(Br)c1OC ZINC000409394314 557098512 /nfs/dbraw/zinc/09/85/12/557098512.db2.gz YNJUCSVUIRWPNT-MDWZMJQESA-N 0 2 446.257 2.918 40 10 IFCBLN COc1cc(C=C2C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCC(N)=O ZINC000033763387 557810619 /nfs/dbraw/zinc/81/06/19/557810619.db2.gz MOCUEUGPGJDDEE-RIYZIHGNSA-N 0 2 429.816 2.719 40 10 IFCBLN CCOc1ccc2[nH]c(=NC=C3C(=O)NC(=O)N(c4ccccc4OC)C3=O)sc2c1 ZINC000408528287 569584583 /nfs/dbraw/zinc/58/45/83/569584583.db2.gz FRLSECJPSPBAJF-ACCUITESSA-N 0 2 438.465 3.282 40 10 IFCBLN Cc1cccc(N2C(=O)NC(=O)C(=CNc3cc4[nH]c(=O)[nH]c4cc3N3CCCC3)C2=O)c1 ZINC000408529762 555724128 /nfs/dbraw/zinc/72/41/28/555724128.db2.gz JYFIBGNOVWPVIT-NTCAYCPXSA-N 0 2 446.467 2.756 40 10 IFCBLN CCc1cc(Br)ccc1N1C(=O)NC(=O)C(=CNC(=O)c2ccccc2)C1=O ZINC000408530426 555727247 /nfs/dbraw/zinc/72/72/47/555727247.db2.gz LSIUCCUCGXCOIL-RVDMUPIBSA-N 0 2 442.269 2.908 40 10 IFCBLN O=c1[nH]c2cc(Br)c(NC=C3C(=O)NC(=O)N(c4ccccc4)C3=O)cc2[nH]1 ZINC000408531482 555733076 /nfs/dbraw/zinc/73/30/76/555733076.db2.gz KPARDYMNYLEBJM-CSKARUKUSA-N 0 2 442.229 2.610 40 10 IFCBLN COc1ccccc1N1C(=O)NC(=O)C(=CNNc2ccc(Br)cc2)C1=O ZINC000408531925 555735999 /nfs/dbraw/zinc/73/59/99/555735999.db2.gz PEBJJEQDWUBQKM-JLHYYAGUSA-N 0 2 431.246 2.541 40 10 IFCBLN CCn1nc(C)c(NC=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c1C ZINC000408755263 556238347 /nfs/dbraw/zinc/23/83/47/556238347.db2.gz CJMRHXKQWNKKOF-NTEUORMPSA-N 0 2 432.278 2.861 40 10 IFCBLN Cc1cc(NS(=O)(=O)c2ccc(N=Nc3c(N)[nH]c(=S)[nH]c3=O)cc2)nc(C)n1 ZINC000017021198 556653305 /nfs/dbraw/zinc/65/33/05/556653305.db2.gz WZLQPTJKCATQQO-GHVJWSGMSA-N 0 2 432.491 2.676 40 10 IFCBLN COC(=O)c1ccc(/C=C2\C(=O)NC(=O)N(c3cc(OC)c(Cl)cc3OC)C2=O)cc1 ZINC000408784362 556855584 /nfs/dbraw/zinc/85/55/84/556855584.db2.gz RYGSPHDMQWCNMH-MDWZMJQESA-N 0 2 444.827 2.810 40 10 IFCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(Br)c1OC ZINC000408817734 556864163 /nfs/dbraw/zinc/86/41/63/556864163.db2.gz WPSPSBBIGZTIKU-NTUHNPAUSA-N 0 2 447.241 2.838 40 10 IFCBLN O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cc(Br)ccc1O ZINC000408846781 556869203 /nfs/dbraw/zinc/86/92/03/556869203.db2.gz KXTWVYWYNYSSKT-WUXMJOGZSA-N 0 2 431.198 2.550 40 10 IFCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)c(O)c(OC)c3)C2=O)cc1 ZINC000408895582 556880875 /nfs/dbraw/zinc/88/08/75/556880875.db2.gz NJPSXWYJNPOONG-NTUHNPAUSA-N 0 2 430.800 2.507 40 10 IFCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc([N+](=O)[O-])c1O ZINC000408896708 556881286 /nfs/dbraw/zinc/88/12/86/556881286.db2.gz HMULNRULPCNNMR-OVCLIPMQSA-N 0 2 425.397 2.982 40 10 IFCBLN Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c(C)n1-c1ccccn1 ZINC000408948341 556898659 /nfs/dbraw/zinc/89/86/59/556898659.db2.gz FNXUCCZEGBKNHR-LICLKQGHSA-N 0 2 430.420 2.884 40 10 IFCBLN COC(=O)COc1ccccc1/C=C1/C(=O)NC(=O)N(c2ccc(C)c(Cl)c2)C1=O ZINC000408994007 556913043 /nfs/dbraw/zinc/91/30/43/556913043.db2.gz YAJHTLOWNYNRCK-DHDCSXOGSA-N 0 2 428.828 2.867 40 10 IFCBLN COc1cc(N2CCOCC2)ccc1/C=C1\C(=O)NC(=O)N(c2cc(C)cc(C)c2)C1=O ZINC000409233621 557025024 /nfs/dbraw/zinc/02/50/24/557025024.db2.gz LJQJSNPXPSAUGU-DEDYPNTBSA-N 0 2 435.480 2.815 40 10 IFCBLN COC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccncc4)C3=O)c2C)c1 ZINC000409393823 557097850 /nfs/dbraw/zinc/09/78/50/557097850.db2.gz SNJBTLFCRMDHSY-DEDYPNTBSA-N 0 2 444.447 2.942 40 10 IFCBLN COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)o1 ZINC000409389215 557100523 /nfs/dbraw/zinc/10/05/23/557100523.db2.gz APOXQVMTGMHLRF-LFIBNONCSA-N 0 2 434.364 2.925 40 10 IFCBLN COc1cc(OC)c([N+](=O)[O-])cc1/C=C1/C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000059426685 557823626 /nfs/dbraw/zinc/82/36/26/557823626.db2.gz CIHRWQHKDFJMPC-QPEQYQDCSA-N 0 2 431.788 2.932 40 10 IFCBLN CC(=O)Oc1c(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC000034702715 569259964 /nfs/dbraw/zinc/25/99/64/569259964.db2.gz PDFVOUSGLBRCEW-QPEQYQDCSA-N 0 2 446.213 2.744 40 10 IFCBLN COc1ccc(-c2nnc(NC=C3C(=O)NC(=O)N(c4cc(C)ccc4C)C3=O)s2)cc1 ZINC000408529120 569584496 /nfs/dbraw/zinc/58/44/96/569584496.db2.gz IIBQHNMLINXMQU-LFIBNONCSA-N 0 2 449.492 3.409 40 10 IFCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3cccc(Br)c3)C2=O)cc1 ZINC000006579919 536729732 /nfs/dbraw/zinc/72/97/32/536729732.db2.gz DPPCFMKCQQXMRN-GDNBJRDFSA-N 0 2 429.226 2.902 40 10 IFCBLN Cc1n[nH]c(C)c1NC=C1C(=O)NC(=O)N(c2ccc(Br)c(C)c2C)C1=O ZINC000408527193 555716939 /nfs/dbraw/zinc/71/69/39/555716939.db2.gz FJPNVKIPMAKHMB-KPKJPENVSA-N 0 2 432.278 2.985 40 10 IFCBLN CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cc([N+](=O)[O-])c(OC)cc3OC)C2=O)cc1 ZINC000408741631 556214991 /nfs/dbraw/zinc/21/49/91/556214991.db2.gz RFJQDWHPHBIBOP-DHDCSXOGSA-N 0 2 441.396 2.677 40 10 IFCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1OCC(=O)OC ZINC000408783086 556855143 /nfs/dbraw/zinc/85/51/43/556855143.db2.gz MWCAMDMGNMLGHI-GZTJUZNOSA-N 0 2 438.436 2.612 40 10 IFCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc([N+](=O)[O-])c1O ZINC000408851076 556870917 /nfs/dbraw/zinc/87/09/17/556870917.db2.gz HKGDJYXLFMQCRM-OQLLNIDSSA-N 0 2 425.397 2.928 40 10 IFCBLN O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C/c1ccc(O)c([N+](=O)[O-])c1 ZINC000408904227 556883739 /nfs/dbraw/zinc/88/37/39/556883739.db2.gz GSSMNDDWWVYGNW-WUXMJOGZSA-N 0 2 448.254 2.894 40 10 IFCBLN O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cccn1-c1ccc([N+](=O)[O-])cc1 ZINC000408950375 556898114 /nfs/dbraw/zinc/89/81/14/556898114.db2.gz JMGSVORJFUEFSZ-LICLKQGHSA-N 0 2 446.375 2.781 40 10 IFCBLN CCc1ccc(N2C(=O)NC(=O)C(=Cc3cc([N+](=O)[O-])c(OC)cc3OC)C2=O)cc1 ZINC000408986570 556909670 /nfs/dbraw/zinc/90/96/70/556909670.db2.gz NCABPPJUTNHCPQ-DHDCSXOGSA-N 0 2 425.397 2.841 40 10 IFCBLN O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(N2CCOCC2)c(F)c1 ZINC000409131838 556963315 /nfs/dbraw/zinc/96/33/15/556963315.db2.gz YKCPUCHGCFBECR-MHWRWJLKSA-N 0 2 429.835 2.982 40 10 IFCBLN CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(N4CCOCC4)c(F)c3)C2=O)cc1 ZINC000409131174 556967781 /nfs/dbraw/zinc/96/77/81/556967781.db2.gz MHSBYUOKRPCFOY-QGOAFFKASA-N 0 2 439.443 2.727 40 10 IFCBLN COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)o1 ZINC000409228691 557015327 /nfs/dbraw/zinc/01/53/27/557015327.db2.gz CQGUEYDLUTZUPP-MHWRWJLKSA-N 0 2 434.364 2.925 40 10 IFCBLN Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)c(C)n1-c1ccc2c(c1)OCO2 ZINC000409240662 557021707 /nfs/dbraw/zinc/02/17/07/557021707.db2.gz UVKLZNBSMBLDCU-GIJQJNRQSA-N 0 2 430.420 2.884 40 10 IFCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)c(Br)cc1O ZINC000409390054 557101338 /nfs/dbraw/zinc/10/13/38/557101338.db2.gz DJNKJPGZTDIVGF-KPKJPENVSA-N 0 2 432.230 2.615 40 10 IFCBLN Cc1ccc(N2C(=O)NC(=O)C(=CNc3cc4[nH]c(=O)[nH]c4cc3N(C)C)C2=O)c(C)c1 ZINC000408526407 555715769 /nfs/dbraw/zinc/71/57/69/555715769.db2.gz BGJBEGMZYHTSBN-JLHYYAGUSA-N 0 2 434.456 2.530 40 10 IFCBLN CN(C)c1cc2[nH]c(=O)[nH]c2cc1NC=C1C(=O)NC(=O)N(c2ccccc2Cl)C1=O ZINC000408526701 555715935 /nfs/dbraw/zinc/71/59/35/555715935.db2.gz CEANIJNJSNANFU-MDZDMXLPSA-N 0 2 440.847 2.567 40 10 IFCBLN COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)cc([N+](=O)[O-])c1O ZINC000408722907 556150292 /nfs/dbraw/zinc/15/02/92/556150292.db2.gz ODIMPYLWDNBPJX-LFYBBSHMSA-N 0 2 433.829 2.794 40 10 IFCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(O)c(Br)c3)C2=O)cc1 ZINC000016194192 556589585 /nfs/dbraw/zinc/58/95/85/556589585.db2.gz GLHRGDMNQYLPDA-JYRVWZFOSA-N 0 2 445.225 2.608 40 10 IFCBLN CCOC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)c(O)c(OC)c3)C2=O)cc1 ZINC000408881845 556878241 /nfs/dbraw/zinc/87/82/41/556878241.db2.gz OSMOPICDFLCXNW-RIYZIHGNSA-N 0 2 444.827 2.897 40 10 IFCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc2c1OCO2 ZINC000408962818 556901606 /nfs/dbraw/zinc/90/16/06/556901606.db2.gz VQKCTJHISRCVHK-AWNIVKPZSA-N 0 2 445.225 2.853 40 10 IFCBLN O=C([O-])[C@@H]1C[NH2+][C@@H](c2cc(Br)cc(I)c2O)S1 ZINC000408977815 556907056 /nfs/dbraw/zinc/90/70/56/556907056.db2.gz KBDKYNUZQLPECW-IONNQARKSA-N 0 2 430.061 2.548 40 10 IFCBLN CCc1ccc(N2C(=O)NC(=O)C(=Cc3cc(OC)c(OC)cc3[N+](=O)[O-])C2=O)cc1 ZINC000408981364 556907930 /nfs/dbraw/zinc/90/79/30/556907930.db2.gz AWWJRVYIOOJFBV-DHDCSXOGSA-N 0 2 425.397 2.841 40 10 IFCBLN COC(=O)COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1 ZINC000408989174 556912274 /nfs/dbraw/zinc/91/22/74/556912274.db2.gz SJIVLEGMHIEUFV-SXGWCWSVSA-N 0 2 428.828 2.867 40 10 IFCBLN NC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1Cl ZINC000409224303 557017882 /nfs/dbraw/zinc/01/78/82/557017882.db2.gz JXRAZPHYXDBJMY-AWNIVKPZSA-N 0 2 434.235 2.524 40 10 IFCBLN CCc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(N4CCOCC4)cc3OC)C2=O)cc1 ZINC000409239014 557020470 /nfs/dbraw/zinc/02/04/70/557020470.db2.gz YKHGOQJGMSSHOJ-XSFVSMFZSA-N 0 2 435.480 2.761 40 10 IFCBLN CCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)cc1OC ZINC000409392852 557097282 /nfs/dbraw/zinc/09/72/82/557097282.db2.gz NZSIGRAZLFIZII-MDWZMJQESA-N 0 2 446.257 2.918 40 10 IFCBLN CN1C(=O)C(=Cc2cc(Br)c(O)c(Br)c2)C(=O)N(C)C1=S ZINC000059139152 557816721 /nfs/dbraw/zinc/81/67/21/557816721.db2.gz ZIDHBSLIOSKFBG-UHFFFAOYSA-N 0 2 434.109 2.516 40 10 IFCBLN COc1cc(OC)c([N+](=O)[O-])cc1/C=C1/C(=O)NC(=O)N(c2cc(C)cc(C)c2)C1=O ZINC000059426642 557823659 /nfs/dbraw/zinc/82/36/59/557823659.db2.gz VPOPFRKXTDEKBX-NVNXTCNLSA-N 0 2 425.397 2.895 40 10 IFCBLN COc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)ccc1OCC(=O)OC(C)C ZINC000408600807 555969077 /nfs/dbraw/zinc/96/90/77/555969077.db2.gz GHDVDPZZUWMDCE-BOPFTXTBSA-N 0 2 438.436 2.692 40 10 IFCBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(I)cc3)C2=O)cc1 ZINC000408741352 556213996 /nfs/dbraw/zinc/21/39/96/556213996.db2.gz PIFNOLQSFBCEQT-XNTDXEJSSA-N 0 2 448.216 2.966 40 10 IFCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)cc([N+](=O)[O-])c1O ZINC000408854005 556871602 /nfs/dbraw/zinc/87/16/02/556871602.db2.gz VJOBLHBFZYWOIG-RIYZIHGNSA-N 0 2 425.397 2.982 40 10 IFCBLN COc1ccc(-n2cccc2/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1 ZINC000408949516 556897779 /nfs/dbraw/zinc/89/77/79/556897779.db2.gz IGVAGXZKGIWAGE-WOJGMQOQSA-N 0 2 431.404 2.881 40 10 IFCBLN O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cccc([N+](=O)[O-])c1O ZINC000408960666 556899477 /nfs/dbraw/zinc/89/94/77/556899477.db2.gz HSFWDLYWOMSQBD-XYOKQWHBSA-N 0 2 432.186 2.729 40 10 IFCBLN O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(N2CCOCC2)c(F)c1 ZINC000409129863 556967254 /nfs/dbraw/zinc/96/72/54/556967254.db2.gz VGYJAUGPBAOGHE-LFIBNONCSA-N 0 2 429.835 2.982 40 10 IFCBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC(=O)OC(C)C)cc3)C2=O)cc1 ZINC000409184736 556990924 /nfs/dbraw/zinc/99/09/24/556990924.db2.gz MHPOODRZDYHUIM-XDHOZWIPSA-N 0 2 438.436 2.692 40 10 IFCBLN CCOc1ccccc1N1C(=O)NC(=O)C(=Cc2cn(CC(=O)OC)c3ccccc23)C1=O ZINC000409225030 557013679 /nfs/dbraw/zinc/01/36/79/557013679.db2.gz JJXHSEURMSCLLW-SFQUDFHCSA-N 0 2 447.447 2.879 40 10 IFCBLN NC(=O)COc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O ZINC000409227943 557014885 /nfs/dbraw/zinc/01/48/85/557014885.db2.gz XVLTULFERVUXEF-KPKJPENVSA-N 0 2 434.235 2.524 40 10 IFCBLN Cc1c(Cl)cccc1N1C(=O)NC(=O)C(=Cc2cc(Cl)ccc2OCC(N)=O)C1=O ZINC000409227975 557015014 /nfs/dbraw/zinc/01/50/14/557015014.db2.gz YLIOJEOOIHWZBV-MDWZMJQESA-N 0 2 448.262 2.832 40 10 IFCBLN COc1ccc(N2C(=O)NC(=O)C(=CNC(=O)Nc3ccc(C)c(Cl)c3)C2=O)cc1 ZINC000408527009 555716339 /nfs/dbraw/zinc/71/63/39/555716339.db2.gz DRFBZKFMCCGSLR-GDNBJRDFSA-N 0 2 428.832 2.945 40 10 IFCBLN Cc1cccc(N2C(=O)NC(=O)C(=CNc3cc4[nH]c(=O)[nH]c4cc3N(C)C)C2=O)c1C ZINC000408536047 555758250 /nfs/dbraw/zinc/75/82/50/555758250.db2.gz VLMDGTAVSCHSTN-RAXLEYEMSA-N 0 2 434.456 2.530 40 10 IFCBLN O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\c1cc(Br)c(N2CCOCC2)o1 ZINC000016488327 556611820 /nfs/dbraw/zinc/61/18/20/556611820.db2.gz ZATZMBSIBMWDMF-UVTDQMKNSA-N 0 2 446.257 2.545 40 10 IFCBLN CCOC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000408772373 556847552 /nfs/dbraw/zinc/84/75/52/556847552.db2.gz OQTGBLWZTDYOOE-GZTJUZNOSA-N 0 2 428.828 2.948 40 10 IFCBLN COc1cc(N2C(=O)NC(=O)C(=Cc3cccc([N+](=O)[O-])c3)C2=O)c(OC)cc1Cl ZINC000408786035 556856278 /nfs/dbraw/zinc/85/62/78/556856278.db2.gz FJDZAFGFLAROHY-KPKJPENVSA-N 0 2 431.788 2.932 40 10 IFCBLN CCCOc1cc(OC)ccc1/C=C1\C(=O)NC(=O)N(c2ccc(C(=O)OC)cc2)C1=O ZINC000408804234 556860233 /nfs/dbraw/zinc/86/02/33/556860233.db2.gz DORIEJLLPRNVAW-LDADJPATSA-N 0 2 438.436 2.937 40 10 IFCBLN O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc([N+](=O)[O-])ccc1O ZINC000408902395 556885248 /nfs/dbraw/zinc/88/52/48/556885248.db2.gz IKWTVAYTGAJLLR-MDWZMJQESA-N 0 2 432.186 2.729 40 10 IFCBLN O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc2c(c1)OCCO2 ZINC000408903385 556885840 /nfs/dbraw/zinc/88/58/40/556885840.db2.gz SHKLSFVSKAFBKG-NTEUORMPSA-N 0 2 429.226 2.887 40 10 IFCBLN CC(C)OC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc1 ZINC000409187061 556988080 /nfs/dbraw/zinc/98/80/80/556988080.db2.gz LMONKHNKPYGKRF-VCHYOVAHSA-N 0 2 426.400 2.823 40 10 IFCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc([N+](=O)[O-])c1O ZINC000409216538 557011363 /nfs/dbraw/zinc/01/13/63/557011363.db2.gz JCXOPVGENWKPSA-IZZDOVSWSA-N 0 2 431.788 2.937 40 10 IFCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC(N)=O)c(Cl)c3)C2=O)cc1Cl ZINC000409219126 557013148 /nfs/dbraw/zinc/01/31/48/557013148.db2.gz JGADNXRGBFBRNR-AWNIVKPZSA-N 0 2 448.262 2.832 40 10 IFCBLN CCc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc(N3CCOCC3)cc2OC)C1=O ZINC000409235755 557026516 /nfs/dbraw/zinc/02/65/16/557026516.db2.gz QIRUCOLEESNYCU-XMHGGMMESA-N 0 2 435.480 2.761 40 10 IFCBLN CCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)cc1OC ZINC000409246176 557027972 /nfs/dbraw/zinc/02/79/72/557027972.db2.gz GAIUMHCNKXSBEF-NTUHNPAUSA-N 0 2 446.257 2.918 40 10 IFCBLN COc1cc(OC)c(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)cc1Br ZINC000409243641 557033462 /nfs/dbraw/zinc/03/34/62/557033462.db2.gz XHLZKFLFWVPVTQ-WUXMJOGZSA-N 0 2 432.230 2.528 40 10 IFCBLN COc1cc(/C=C2/C(=O)NC(=O)N(c3ccncc3)C2=O)cc(Br)c1OC ZINC000409391880 557096564 /nfs/dbraw/zinc/09/65/64/557096564.db2.gz KDDRLHAXGACORL-GHXNOFRVSA-N 0 2 432.230 2.528 40 10 IFCBLN CSc1nc(N)c(N=Nc2ccc(S(=O)(=O)Nc3nnc(C)s3)cc2)c(=O)[nH]1 ZINC000104090697 557320143 /nfs/dbraw/zinc/32/01/43/557320143.db2.gz JTGRMOQVNQJUFW-VXPUYCOJSA-N 0 2 438.520 2.862 40 10 IFCBLN CCOc1cc([N+](=O)[O-])cc(C=C2C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c1O ZINC000059105217 557814586 /nfs/dbraw/zinc/81/45/86/557814586.db2.gz XJEDISLHSFABGI-AWNIVKPZSA-N 0 2 441.352 2.935 40 10 IFCBLN C#CCOc1c(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC000107839461 569260679 /nfs/dbraw/zinc/26/06/79/569260679.db2.gz WKYZRIPTLOEWDS-ZROIWOOFSA-N 0 2 442.225 2.831 40 10 IFCBLN