smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(N=Nc1cc(Cl)nc(-c2ccccc2)n1)c1ccc(F)cc1 ZINC000004713161 210256810 /nfs/dbraw/zinc/25/68/10/210256810.db2.gz DUFNUMICUXYTML-FSJBWODESA-N 0 0 340.789 4.772 40 30 EJEBRN C[C@H](CCc1ccccc1)/N=C/c1cc(Br)ccc1O ZINC000057411986 214426437 /nfs/dbraw/zinc/42/64/37/214426437.db2.gz VXWUWJISOQDRAP-KZKLBEMASA-N 0 0 332.241 4.595 40 30 EJEBRN Cc1cc(C)cc(/N=C2\NC(=O)/C(=C/c3ccccc3Cl)S2)c1 ZINC000059426801 214620119 /nfs/dbraw/zinc/62/01/19/214620119.db2.gz ZFLBATRFAHXFTG-YBEGLDIGSA-N 0 0 342.851 4.848 40 30 EJEBRN O=[N+]([O-])c1cc(/N=C\c2ccc3ccccc3c2O)ccc1Cl ZINC000100248495 219095614 /nfs/dbraw/zinc/09/56/14/219095614.db2.gz IAWIAVHYVPSUPT-GRSHGNNSSA-N 0 0 326.739 4.858 40 30 EJEBRN O=C(Nc1ccc(/N=C/c2ccncc2)cc1)c1ccccc1Cl ZINC000100384244 219098124 /nfs/dbraw/zinc/09/81/24/219098124.db2.gz KHDAGSORMVQERH-LPYMAVHISA-N 0 0 335.794 4.738 40 30 EJEBRN O=[N+]([O-])c1ccc(/C=N/c2ccc(N3CCCCC3)c(Cl)c2)o1 ZINC000100384195 219098575 /nfs/dbraw/zinc/09/85/75/219098575.db2.gz SSCRRVMCHLBLDA-WOJGMQOQSA-N 0 0 333.775 4.582 40 30 EJEBRN Oc1ccc2ccccc2c1/C=N/N=C1\C[C@@H](c2ccccc2)N=N1 ZINC000101581292 219142310 /nfs/dbraw/zinc/14/23/10/219142310.db2.gz UWFRVXQVAIHVLF-KEYNLRLVSA-N 0 0 328.375 4.875 40 30 EJEBRN CCC(C)N=Nc1nc2c(s1)c(C)c(Br)cc2C ZINC000045957894 213767945 /nfs/dbraw/zinc/76/79/45/213767945.db2.gz ZBIVKVKSHHGXTK-PXNMLYILSA-N 0 0 326.263 4.873 40 30 EJEBRN COc1ccc(OC)c(C(=O)/C=C/c2ccc(Cl)c(Cl)c2)c1 ZINC000003963361 210095449 /nfs/dbraw/zinc/09/54/49/210095449.db2.gz XRMNQAKQNOYHDE-QPJJXVBHSA-N 0 0 337.202 4.907 40 30 EJEBRN CC1(C)CCC[C@@]2(C)[C@H]3C=C4CC(=O)C(=O)C=C4O[C@]3(C)CC[C@@H]12 ZINC000003874818 210082726 /nfs/dbraw/zinc/08/27/26/210082726.db2.gz LOCMLXSTDCXZFJ-UYWIDEMCSA-N 0 0 328.452 4.853 40 30 EJEBRN CC1(C)CCC[C@@]2(C)[C@H]3C=C4CC(=O)C(=O)C=C4O[C@]3(C)CC[C@H]12 ZINC000003874816 210082370 /nfs/dbraw/zinc/08/23/70/210082370.db2.gz LOCMLXSTDCXZFJ-VURPSTOHSA-N 0 0 328.452 4.853 40 30 EJEBRN CCOC(=O)C#CC1=CCC(c2ccccc2)(c2ccccc2)CC1 ZINC000003844261 210079551 /nfs/dbraw/zinc/07/95/51/210079551.db2.gz OBOOXHFOHSTWJD-UHFFFAOYSA-N 0 0 330.427 4.650 40 30 EJEBRN N#C[C@@]12CCCC[C@@H]1C[C@H]1CCCC[C@@]1(C#N)N2c1ccccc1O ZINC000102665419 219220365 /nfs/dbraw/zinc/22/03/65/219220365.db2.gz NYPAPXFYOSDURV-JYWFKMLOSA-N 0 0 335.451 4.507 40 30 EJEBRN O=C(Nc1ccccc1)C(N=Nc1ccccc1)=NNc1ccccc1 ZINC000104038074 219341285 /nfs/dbraw/zinc/34/12/85/219341285.db2.gz ZMMDZQUCKKVTPX-FYVWFZHESA-N 0 0 343.390 4.835 40 30 EJEBRN COc1ccc(C(=O)/C=C\C(C)=C/C=N/N(C)c2ccccc2)cc1 ZINC000104194083 219358095 /nfs/dbraw/zinc/35/80/95/219358095.db2.gz HLGJHYSFBLPOSI-PLABWWKHSA-N 0 0 334.419 4.503 40 30 EJEBRN CCCCCCCCCCCCCCCC[N@H+](CCO)CC(=O)[O-] ZINC000104188937 219357746 /nfs/dbraw/zinc/35/77/46/219357746.db2.gz VJMODQNIINNUTO-UHFFFAOYSA-N 0 0 343.552 4.847 40 30 EJEBRN Cc1ccc(NC(=C2C(=O)c3ccccc3C2=O)c2ccccc2)cc1 ZINC000104223443 219361467 /nfs/dbraw/zinc/36/14/67/219361467.db2.gz NYMKKVQAFTWENW-DARPEHSRSA-N 0 0 339.394 4.811 40 30 EJEBRN CC(=O)C1=C(C)OC(C)=C[C@]12Nc1cc(-c3ccccc3)ccc1O2 ZINC000040545926 213345998 /nfs/dbraw/zinc/34/59/98/213345998.db2.gz NBULCMKBRVZTCL-OAQYLSRUSA-N 0 0 333.387 4.651 40 30 EJEBRN Cc1ccc([C@@H]2CCCC[C@@H]2OS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000001706535 209784670 /nfs/dbraw/zinc/78/46/70/209784670.db2.gz HIKGKLNLJZQJOC-PMACEKPBSA-N 0 0 344.476 4.735 40 30 EJEBRN Cc1ccccc1-n1nc(-c2ccc(Cl)cc2Cl)c(C#N)c1N ZINC000039955313 213245766 /nfs/dbraw/zinc/24/57/66/213245766.db2.gz APBQOSNPZNMYPQ-UHFFFAOYSA-N 0 0 343.217 4.608 40 30 EJEBRN CCCC(=O)Nc1ccc(Cl)c2nc(N=NC(C)CC)sc21 ZINC000072229823 216070586 /nfs/dbraw/zinc/07/05/86/216070586.db2.gz UOWKOTSPJPJISV-OCKHKDLRSA-N 0 0 338.864 4.886 40 30 EJEBRN CCC(=O)Nc1cc(Cl)c2nc(N=NC(C)C)sc2c1Cl ZINC000072228996 216071136 /nfs/dbraw/zinc/07/11/36/216071136.db2.gz PNKZXURJVMQERE-UHFFFAOYSA-N 0 0 345.255 4.759 40 30 EJEBRN CC(=O)/C(=C/c1ccccc1)C(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C ZINC000036056586 202313680 /nfs/dbraw/zinc/31/36/80/202313680.db2.gz FDAUAWCWYPKAFJ-FPLLADARSA-N 0 0 328.452 4.663 40 30 EJEBRN CCOc1ccc2ccccc2c1/C=N/c1ccc(NC(C)=O)cc1 ZINC000000131340 209440343 /nfs/dbraw/zinc/44/03/43/209440343.db2.gz AHQGBSNVNTUWNY-HYARGMPZSA-N 0 0 332.403 4.948 40 30 EJEBRN C=CCOc1cccc(NC(=O)[C@@H](C)Oc2cc(C)cc(C)c2C)c1 ZINC000022514648 212303033 /nfs/dbraw/zinc/30/30/33/212303033.db2.gz IHSUOGWZZLLZHI-QGZVFWFLSA-N 0 0 339.435 4.583 40 30 EJEBRN C=CCOC(=O)c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 ZINC000196481509 241035731 /nfs/dbraw/zinc/03/57/31/241035731.db2.gz BAVUSQAKFXVLIC-UHFFFAOYSA-N 0 0 337.202 4.915 40 30 EJEBRN Cc1ccc(COc2c(Cl)cc(C#N)cc2Br)cc1 ZINC000216910806 241220136 /nfs/dbraw/zinc/22/01/36/241220136.db2.gz STDOXUKYNDMGJW-UHFFFAOYSA-N 0 0 336.616 4.862 40 30 EJEBRN C=CCSc1ccccc1C(=O)Nc1cc(Cl)ccc1OC ZINC000219800426 241410865 /nfs/dbraw/zinc/41/08/65/241410865.db2.gz INUADKXLKOILJK-UHFFFAOYSA-N 0 0 333.840 4.879 40 30 EJEBRN C=CCNC(=O)c1ccc(OCC)c(CSc2ccc(C)cc2)c1 ZINC000224659425 241770912 /nfs/dbraw/zinc/77/09/12/241770912.db2.gz DQSZYFOGRSZNAT-UHFFFAOYSA-N 0 0 341.476 4.602 40 30 EJEBRN CCCC[C@](C)(OCC)C(=O)Nc1ccc(OCC(C)C)c(C#N)c1 ZINC000225825425 242053163 /nfs/dbraw/zinc/05/31/63/242053163.db2.gz GQPWFUGWYUWOKH-FQEVSTJZSA-N 0 0 346.471 4.517 40 30 EJEBRN CCCO[C@](C)(CCC)C(=O)Nc1ccc(O[C@H](C)CC)cc1C#N ZINC000225843842 242058906 /nfs/dbraw/zinc/05/89/06/242058906.db2.gz NRXRLFUCOJXXJH-FOIQADDNSA-N 0 0 346.471 4.659 40 30 EJEBRN CCCCOc1ccc(NC(=O)[C@](C)(CCC)OCCC)cc1C#N ZINC000225842640 242059128 /nfs/dbraw/zinc/05/91/28/242059128.db2.gz VJEFOMXJLYZMNU-FQEVSTJZSA-N 0 0 346.471 4.661 40 30 EJEBRN CCCO[C@@](C)(CCC)C(=O)Nc1ccc(O[C@H](C)CC)cc1C#N ZINC000225843825 242059291 /nfs/dbraw/zinc/05/92/91/242059291.db2.gz NRXRLFUCOJXXJH-QRWLVFNGSA-N 0 0 346.471 4.659 40 30 EJEBRN CCCC[C@](C)(OCCC)C(=O)Nc1ccc(OC(C)C)c(C#N)c1 ZINC000225846412 242060348 /nfs/dbraw/zinc/06/03/48/242060348.db2.gz PLPVJRDSCKQPNU-FQEVSTJZSA-N 0 0 346.471 4.659 40 30 EJEBRN Cc1cccc(Cn2c(C#N)cc(N)c2Cc2cccc(Cl)c2)c1 ZINC000225856079 242062688 /nfs/dbraw/zinc/06/26/88/242062688.db2.gz KRPQCUFEUDCKEO-UHFFFAOYSA-N 0 0 335.838 4.543 40 30 EJEBRN Cc1ccc(Cc2c(N)cc(C#N)n2Cc2ccccc2Cl)cc1 ZINC000225854203 242063326 /nfs/dbraw/zinc/06/33/26/242063326.db2.gz AVDYPEAERVRSCZ-UHFFFAOYSA-N 0 0 335.838 4.543 40 30 EJEBRN Cc1ccc(Cn2c(C#N)cc(N)c2Cc2ccc(Cl)cc2)cc1 ZINC000225856365 242064227 /nfs/dbraw/zinc/06/42/27/242064227.db2.gz YEFKSEYFFATBNR-UHFFFAOYSA-N 0 0 335.838 4.543 40 30 EJEBRN N#Cc1cc(N)c(Oc2ccc(F)cc2)n1Cc1ccccc1Cl ZINC000225882930 242069870 /nfs/dbraw/zinc/06/98/70/242069870.db2.gz CSQYVIPSYXKZAQ-UHFFFAOYSA-N 0 0 341.773 4.575 40 30 EJEBRN Cc1ccc(C)c(Oc2c(N)cc(C#N)n2Cc2ccc(F)cc2)c1 ZINC000225885370 242070481 /nfs/dbraw/zinc/07/04/81/242070481.db2.gz VBBACJVRSFUUAQ-UHFFFAOYSA-N 0 0 335.382 4.539 40 30 EJEBRN C=CCOc1cccc(NC(=S)N[C@H](C)c2ccccc2C)c1 ZINC000225754717 242021532 /nfs/dbraw/zinc/02/15/32/242021532.db2.gz YAZVIUKKXQYMQQ-OAHLLOKOSA-N 0 0 326.465 4.607 40 30 EJEBRN Cc1cc(OCC(=O)n2cc(C#N)c3ccccc32)cc(C)c1Cl ZINC000226362196 242102447 /nfs/dbraw/zinc/10/24/47/242102447.db2.gz ZHIZKAAWQSHHKP-UHFFFAOYSA-N 0 0 338.794 4.502 40 30 EJEBRN COc1ccc2c(c1)CC/C2=N\OC(=O)c1ccc(C(C)(C)C)cc1 ZINC000005293217 201646535 /nfs/dbraw/zinc/64/65/35/201646535.db2.gz RZDXTZBLTHMYDB-ZBJSNUHESA-N 0 0 337.419 4.500 40 30 EJEBRN CCC(C)N=Nc1nc2cc(NC(=O)c3cccs3)ccc2s1 ZINC000072229673 203184129 /nfs/dbraw/zinc/18/41/29/203184129.db2.gz DPELQEWVWAJLBM-GRSHGNNSSA-N 0 0 344.465 4.808 40 30 EJEBRN C=CCOc1ccc(NC(=O)CCc2cccc3ccccc32)cc1 ZINC000222668954 203285527 /nfs/dbraw/zinc/28/55/27/203285527.db2.gz UMIRUKIKVFGSJB-UHFFFAOYSA-N 0 0 331.415 4.976 40 30 EJEBRN Cc1cc2c3c(c1)C(C)=CC(C)(C)N3C(=O)/C2=N\c1ccc(F)cc1 ZINC000101763735 204020738 /nfs/dbraw/zinc/02/07/38/204020738.db2.gz DEAZYYRFSMMYGF-NKFKGCMQSA-N 0 0 334.394 4.797 40 30 EJEBRN O=[N+]([O-])c1cccc(/N=C(\c2ccccc2)N(O)c2ccccc2)c1 ZINC000104130916 204097484 /nfs/dbraw/zinc/09/74/84/204097484.db2.gz WUHBJMQTMSGWFZ-FMQUCBEESA-N 0 0 333.347 4.569 40 30 EJEBRN CC(C)[C@@H]1/C(=N\O)C[C@@H](c2ccccc2)N(N=O)[C@H]1c1ccccc1 ZINC000104300586 204105136 /nfs/dbraw/zinc/10/51/36/204105136.db2.gz OBTBUXZQFKXPLD-VEOKTLJLSA-N 0 0 337.423 4.959 40 30 EJEBRN C=CCOC(=O)c1ccc(OCc2ccc(Cl)cc2)c(OCC)c1 ZINC000225613059 205092330 /nfs/dbraw/zinc/09/23/30/205092330.db2.gz JLJHRTCITGRMMY-UHFFFAOYSA-N 0 0 346.810 4.661 40 30 EJEBRN C=CCOc1ccc(NC(=S)N[C@H](CC)c2ccccc2C)cc1 ZINC000225758731 205096101 /nfs/dbraw/zinc/09/61/01/205096101.db2.gz IWGSLXWHVUHUAK-LJQANCHMSA-N 0 0 340.492 4.998 40 30 EJEBRN Cc1ccc(/N=C\c2cc(C)cc(/C=N\c3ccc(C)cn3)c2O)nc1 ZINC000100146953 206216531 /nfs/dbraw/zinc/21/65/31/206216531.db2.gz DHKDPKHYGWLHPJ-CPGLPWGESA-N 0 0 344.418 4.609 40 30 EJEBRN CCN1C(=O)/C(=C\c2sccc2C)S/C1=N\c1ccc(F)cc1 ZINC000012406813 211370227 /nfs/dbraw/zinc/37/02/27/211370227.db2.gz CRYXSIJFPBUJHR-OCFUMETKSA-N 0 0 346.452 4.820 40 30 EJEBRN CC(=O)/C=C\c1ccccc1Oc1ccc(Br)cc1F ZINC000012351488 211354417 /nfs/dbraw/zinc/35/44/17/211354417.db2.gz NULGMYYXDTUAJE-SREVYHEPSA-N 0 0 335.172 4.983 40 30 EJEBRN N#Cc1c(=S)[nH]c(-c2ccc(Br)cc2)c2c1CCCC2 ZINC000095117610 218282009 /nfs/dbraw/zinc/28/20/09/218282009.db2.gz MLWOOUVSJMMYFM-UHFFFAOYSA-N 0 0 345.265 4.550 40 30 EJEBRN CC1=C(/C=C/[C@@](C)(O)CC#C[C@@]2(C)C=COCCO2)C(C)(C)CCC1 ZINC000095611849 218446228 /nfs/dbraw/zinc/44/62/28/218446228.db2.gz FOOIMBDCRKVYBU-FUURPURISA-N 0 0 344.495 4.533 40 30 EJEBRN N#Cc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)n2O)cc1 ZINC000006694709 210680955 /nfs/dbraw/zinc/68/09/55/210680955.db2.gz NPGBCBYHUVLFGG-UHFFFAOYSA-N 0 0 337.382 4.993 40 30 EJEBRN O=[N+]([O-])c1cccc(/C=N/c2ccc3oc(-c4ccncc4)nc3c2)c1 ZINC000005512729 210478506 /nfs/dbraw/zinc/47/85/06/210478506.db2.gz KXEQKVRLEBEWIZ-CIAFOILYSA-N 0 0 344.330 4.549 40 30 EJEBRN Cc1ccc(/C=C/C(=O)c2ccc(NC(=O)c3ccco3)cc2)cc1 ZINC000004852240 210300864 /nfs/dbraw/zinc/30/08/64/210300864.db2.gz KDGSZULNHXNZIK-MDWZMJQESA-N 0 0 331.371 4.736 40 30 EJEBRN Cc1sc(N=NCc2cccnc2)nc1-c1ccc(Cl)cc1 ZINC000004866039 210306575 /nfs/dbraw/zinc/30/65/75/210306575.db2.gz BBVCFCJRNOUGSJ-VXLYETTFSA-N 0 0 328.828 4.613 40 30 EJEBRN CCN(CCC#N)c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2C#N)cc1 ZINC000004774751 210275082 /nfs/dbraw/zinc/27/50/82/210275082.db2.gz QEORVDCGZONWCJ-QURGRASLSA-N 0 0 348.366 4.622 40 30 EJEBRN C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CCCC[C@@]43C)[C@@H]1CC/C2=N\NC(N)=S ZINC000118916200 221203600 /nfs/dbraw/zinc/20/36/00/221203600.db2.gz OXZJZRQUDLKMGF-UYCRJBTFSA-N 0 0 347.572 4.608 40 30 EJEBRN O=C(/C(=C/c1ccccc1)C(=O)C(F)(F)F)c1ccc(Cl)cc1 ZINC000409347207 257872379 /nfs/dbraw/zinc/87/23/79/257872379.db2.gz NFHWOTSZEDRIJP-UVTDQMKNSA-N 0 0 338.712 4.738 40 30 EJEBRN C=CCOc1ccc(/C=C2/c3ccccc3N(CC)C2=O)cc1Cl ZINC000409113389 257878499 /nfs/dbraw/zinc/87/84/99/257878499.db2.gz AOOBLMZUVYSXJD-VBKFSLOCSA-N 0 0 339.822 4.812 40 30 EJEBRN C#CCOc1c(Cl)cc(CNc2ccc(C)c(C)c2)cc1OCC ZINC000409115872 257878750 /nfs/dbraw/zinc/87/87/50/257878750.db2.gz IAXYTXXIZGJQCX-UHFFFAOYSA-N 0 0 343.854 4.980 40 30 EJEBRN Fc1cc(/C=N/c2cccc(Br)c2)ccc1N1CCCC1 ZINC000409067548 257881047 /nfs/dbraw/zinc/88/10/47/257881047.db2.gz RGPZMZJLFCFOQJ-UDWIEESQSA-N 0 0 347.231 4.939 40 30 EJEBRN Cc1ccsc1/C=C1\SC(=Nc2cccc(C)c2C)NC1=O ZINC000409003168 257882768 /nfs/dbraw/zinc/88/27/68/257882768.db2.gz YJTUTEOQZHPJSU-DHDCSXOGSA-N 0 0 328.462 4.565 40 30 EJEBRN Cc1nn(-c2ccc(C)cc2C)c(C)c1C=NNc1ccc(C)cc1 ZINC000408996669 257883283 /nfs/dbraw/zinc/88/32/83/257883283.db2.gz MIDHNPWGHFLQLV-XKZIYDEJSA-N 0 0 332.451 4.860 40 30 EJEBRN COc1ccc(Cl)cc1-c1c(C#N)c(N)nc(C)c1-c1ccccc1 ZINC000408977684 257884356 /nfs/dbraw/zinc/88/43/56/257884356.db2.gz FEWPUVLIKXJROA-UHFFFAOYSA-N 0 0 349.821 4.670 40 30 EJEBRN Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(Cl)s3)S2)cc1C ZINC000408964654 257885100 /nfs/dbraw/zinc/88/51/00/257885100.db2.gz FAFXFHOOQQICOU-JYRVWZFOSA-N 0 0 348.880 4.910 40 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258073389 /nfs/dbraw/zinc/07/33/89/258073389.db2.gz PUCXZBGPUPYKFE-ITGARAMISA-N 0 0 342.479 4.616 40 30 EJEBRN C=C1C[C@@H]2[C@H]3CC=C4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]2(C)C1=O ZINC000253617489 258073461 /nfs/dbraw/zinc/07/34/61/258073461.db2.gz PUCXZBGPUPYKFE-ATUYINLCSA-N 0 0 342.479 4.616 40 30 EJEBRN CC(=O)O[C@@H]1CC[C@@H]2[C@H]3CCC4=C/C(=N/O)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000257346456 258073667 /nfs/dbraw/zinc/07/36/67/258073667.db2.gz HMPWCNANWMGWIQ-WVAZTTBRSA-N 0 0 345.483 4.711 40 30 EJEBRN Clc1ccc(/C=N/c2ccc(N3CCOCC3)cc2)cc1Cl ZINC000408931556 262505551 /nfs/dbraw/zinc/50/55/51/262505551.db2.gz NCFKYSVMNFXYRU-UDWIEESQSA-N 0 0 335.234 4.581 40 30 EJEBRN C=CCCCCCCC#CCCCCCC[C@@H]1C(=O)O[C@@H](C)[C@H]1O ZINC000031167184 518698307 /nfs/dbraw/zinc/69/83/07/518698307.db2.gz CADCSTMAPXTITJ-SLFFLAALSA-N 0 0 334.500 4.779 40 30 biogenic,in-vitro EJEBRN C=CCOc1cccc(NC(=O)COc2ccc(C(C)(C)C)cc2)c1 ZINC000014783766 519054596 /nfs/dbraw/zinc/05/45/96/519054596.db2.gz 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ZINC000102665424 219219891 /nfs/dbraw/zinc/21/98/91/219219891.db2.gz NYPAPXFYOSDURV-JWWGGVBKSA-N 0 0 335.451 4.507 40 30 EJEBRN C=CCCCCCCCCCCCCCC[C@H](O)C[C@@H](O)CO ZINC000067911791 215248914 /nfs/dbraw/zinc/24/89/14/215248914.db2.gz QVLYXPULBWQTJW-VQTJNVASSA-N 0 0 328.537 4.738 40 30 biogenic,in-vitro EJEBRN C=CCCCCCCCCCCCCCC[C@H](O)C[C@H](O)CO ZINC000067911788 215249108 /nfs/dbraw/zinc/24/91/08/215249108.db2.gz QVLYXPULBWQTJW-PMACEKPBSA-N 0 0 328.537 4.738 40 30 biogenic,in-vitro EJEBRN COc1cccc(/C=N/c2nc(-c3ccccc3Cl)cs2)c1O ZINC000104220252 219361646 /nfs/dbraw/zinc/36/16/46/219361646.db2.gz CGVOIROFGCICEB-DJKKODMXSA-N 0 0 344.823 4.928 40 30 EJEBRN COc1ccc(C(=O)C=C2c3ccccc3C(=O)c3ccccc32)cc1 ZINC000040379659 213294277 /nfs/dbraw/zinc/29/42/77/213294277.db2.gz LMXCFZCMNBWAHM-UHFFFAOYSA-N 0 0 340.378 4.554 40 30 EJEBRN CCSC(=Nc1nc2ccc(NC(C)=O)cc2s1)SCC ZINC000001573747 209760408 /nfs/dbraw/zinc/76/04/08/209760408.db2.gz OBDOSKMWFHHMFL-UHFFFAOYSA-N 0 0 339.511 4.748 40 30 EJEBRN CCC(C)N=Nc1nc2c(s1)c(Cl)c(NC(C)=O)cc2Cl ZINC000072228998 216071038 /nfs/dbraw/zinc/07/10/38/216071038.db2.gz BXADMGQWBVACLK-FXBPXSCXSA-N 0 0 345.255 4.759 40 30 EJEBRN CC(=O)C1=C(C)OC(C)=C[C@@]12Nc1cc(-c3ccccc3)ccc1O2 ZINC000040545928 201087966 /nfs/dbraw/zinc/08/79/66/201087966.db2.gz NBULCMKBRVZTCL-NRFANRHFSA-N 0 0 333.387 4.651 40 30 EJEBRN C#CCOC(=O)c1cc(Cl)c(OCc2ccc(C)cc2)c(Cl)c1 ZINC000216847926 241215438 /nfs/dbraw/zinc/21/54/38/241215438.db2.gz UWPVLJZZVYMBER-UHFFFAOYSA-N 0 0 349.213 4.671 40 30 EJEBRN C=CCOC(=O)c1cc2nc(-c3cccc(Cl)c3)[nH]c2c(Cl)c1 ZINC000216921996 241222629 /nfs/dbraw/zinc/22/26/29/241222629.db2.gz OHQQOSMVFBCZGY-UHFFFAOYSA-N 0 0 347.201 4.880 40 30 EJEBRN C=CCOc1ccc(NC(=S)N[C@H](C)c2cc(C)ccc2C)cc1 ZINC000225538018 241916897 /nfs/dbraw/zinc/91/68/97/241916897.db2.gz NAELEZJHPBTWEM-MRXNPFEDSA-N 0 0 340.492 4.916 40 30 EJEBRN CC[C@@H](NC(=S)Nc1ccc(CC#N)cc1)c1ccc(C)cc1C ZINC000225714753 242000286 /nfs/dbraw/zinc/00/02/86/242000286.db2.gz KYQOUYVHCCAVBK-LJQANCHMSA-N 0 0 337.492 4.807 40 30 EJEBRN CCCCOc1ccc(NC(=O)[C@@](C)(CCCC)OCC)c(C#N)c1 ZINC000225825661 242052622 /nfs/dbraw/zinc/05/26/22/242052622.db2.gz ZJTPNQRZTVYZNH-HXUWFJFHSA-N 0 0 346.471 4.661 40 30 EJEBRN CCCC[C@](C)(OCC)C(=O)Nc1ccc(OCC(C)C)cc1C#N ZINC000225825802 242054816 /nfs/dbraw/zinc/05/48/16/242054816.db2.gz CMOUCBROCSWYIJ-FQEVSTJZSA-N 0 0 346.471 4.517 40 30 EJEBRN CCCO[C@](C)(CCC)C(=O)Nc1ccc(OCC(C)C)c(C#N)c1 ZINC000225842692 242059151 /nfs/dbraw/zinc/05/91/51/242059151.db2.gz GVGXUALOEQRMRV-HXUWFJFHSA-N 0 0 346.471 4.517 40 30 EJEBRN Cc1cccc(C2(NC(=S)Nc3ccc(CC#N)cc3)CCCC2)c1 ZINC000225852994 242062978 /nfs/dbraw/zinc/06/29/78/242062978.db2.gz OXHHPABYWZHXPD-UHFFFAOYSA-N 0 0 349.503 4.817 40 30 EJEBRN Cc1ccccc1Oc1c(N)cc(C#N)n1Cc1ccccc1Cl ZINC000225879484 242069593 /nfs/dbraw/zinc/06/95/93/242069593.db2.gz GOCGVLQUJCEBJV-UHFFFAOYSA-N 0 0 337.810 4.744 40 30 EJEBRN N#Cc1cc(N)c(Oc2cccc(Cl)c2)n1Cc1cccc(F)c1 ZINC000225881962 242069985 /nfs/dbraw/zinc/06/99/85/242069985.db2.gz MCMHDTIURCLKCG-UHFFFAOYSA-N 0 0 341.773 4.575 40 30 EJEBRN Cc1cccc(Oc2c(N)cc(C#N)n2Cc2ccc(Cl)cc2)c1 ZINC000225880140 242070104 /nfs/dbraw/zinc/07/01/04/242070104.db2.gz LTWCUPAVHDTJJV-UHFFFAOYSA-N 0 0 337.810 4.744 40 30 EJEBRN Cc1ccc(Oc2c(N)cc(C#N)n2Cc2ccccc2F)cc1C ZINC000225885916 242071701 /nfs/dbraw/zinc/07/17/01/242071701.db2.gz BGGYIERMBGPTLF-UHFFFAOYSA-N 0 0 335.382 4.539 40 30 EJEBRN Cc1ccc(Sc2c(N)cc(C#N)n2Cc2ccccc2C)cc1 ZINC000225888422 242072130 /nfs/dbraw/zinc/07/21/30/242072130.db2.gz DFQKNWYEXNXNNS-UHFFFAOYSA-N 0 0 333.460 4.758 40 30 EJEBRN CC/C(=N\NC(=S)Nc1cccc(Cl)c1C)c1ccccc1 ZINC000005416820 201651047 /nfs/dbraw/zinc/65/10/47/201651047.db2.gz QSCOTSPWEPMSNE-HMMYKYKNSA-N 0 0 331.872 4.749 40 30 EJEBRN C=CCOc1cccc(NC(=O)[C@H](CC)Oc2ccccc2Cl)c1 ZINC000020490394 212138117 /nfs/dbraw/zinc/13/81/17/212138117.db2.gz RRZKBRJGFJMCFI-KRWDZBQOSA-N 0 0 345.826 4.701 40 30 EJEBRN CCCCCCCCc1ccc(CC[C@]2(CO)COC(C)=N2)cc1 ZINC000072399730 203214197 /nfs/dbraw/zinc/21/41/97/203214197.db2.gz XJDZZSDQLOHNAO-NRFANRHFSA-N 0 0 331.500 4.702 40 30 in-vitro EJEBRN CC(=O)C(N=Nc1ccc(Cl)cc1)C(C)=Nc1ccc(C)cc1 ZINC000104317933 204104319 /nfs/dbraw/zinc/10/43/19/204104319.db2.gz BDUQGXQYUZUWHE-UWVJQSOBSA-N 0 0 327.815 4.798 40 30 EJEBRN C=CCOc1cccc(NC(=S)N[C@@H](C)c2ccc(C)cc2C)c1 ZINC000225478267 205080853 /nfs/dbraw/zinc/08/08/53/205080853.db2.gz BWRAAVFQHRMGIO-INIZCTEOSA-N 0 0 340.492 4.916 40 30 EJEBRN C=CCOc1cccc(NC(=S)N[C@@H]2CCCc3ccccc32)c1 ZINC000225461997 205081974 /nfs/dbraw/zinc/08/19/74/205081974.db2.gz YOTQKZCUUXWWEN-LJQANCHMSA-N 0 0 338.476 4.615 40 30 EJEBRN CC(=O)C1C(C)=Nc2nc3ccccc3n2[C@@H]1c1cccc(Cl)c1 ZINC000013639995 211597240 /nfs/dbraw/zinc/59/72/40/211597240.db2.gz LEYWQPLZYJVZSF-GOSISDBHSA-N 0 0 337.810 4.568 40 30 EJEBRN Cc1ccsc1/C=C1/S/C(=N/c2ccc(C)c(Cl)c2)NC1=O ZINC000009323831 211068112 /nfs/dbraw/zinc/06/81/12/211068112.db2.gz GGIAOENYZQGPEG-RIYZIHGNSA-N 0 0 348.880 4.910 40 30 EJEBRN FC(F)(F)c1ccc(NN=Cc2ccc(Br)s2)cc1 ZINC000006241767 210604746 /nfs/dbraw/zinc/60/47/46/210604746.db2.gz KHAQJUNOJHZZNF-REZTVBANSA-N 0 0 349.175 4.975 40 30 EJEBRN C=C1c2cc3c(cc2C[C@@]12Cc1cc4c(cc1C2=O)CCC4)CCC3 ZINC000005600895 210497500 /nfs/dbraw/zinc/49/75/00/210497500.db2.gz MDELAXAHDNITFF-XMMPIXPASA-N 0 0 326.439 4.659 40 30 EJEBRN C[C@]1(c2ccccc2)O[C@@H]1C(=O)N(c1ccccc1)c1ccccc1 ZINC000005395705 210456204 /nfs/dbraw/zinc/45/62/04/210456204.db2.gz JPQOSLFMZWFPKG-IFMALSPDSA-N 0 0 329.399 4.666 40 30 EJEBRN CC(C)C1=CC2=CC[C@@H]3[C@](C)(C(N)=O)CCC[C@@]3(C)[C@@H]2C[C@@H]1CC#N ZINC000005022282 210364809 /nfs/dbraw/zinc/36/48/09/210364809.db2.gz GCVOAWDIEGWPIT-OCIWIANLSA-N 0 0 340.511 4.747 40 30 EJEBRN C=C1C(C)(C)[C@H]2CC[C@]1(C(=O)Nc1ccc(OC(F)(F)F)cc1)C2 ZINC000004829063 210290541 /nfs/dbraw/zinc/29/05/41/210290541.db2.gz CISBUHCITCYFGI-SJCJKPOMSA-N 0 0 339.357 4.906 40 30 EJEBRN CC(=O)O[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@]5(CO5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118936609 221206522 /nfs/dbraw/zinc/20/65/22/221206522.db2.gz QVWIWZCMRRDQQC-SDJHNBRXSA-N 0 0 346.511 4.730 40 30 EJEBRN C=CCn1c(Cc2ccccc2)nnc1SCc1ccc(C)cc1 ZINC000006204572 257866826 /nfs/dbraw/zinc/86/68/26/257866826.db2.gz RSZCIBBFFJFUHL-UHFFFAOYSA-N 0 0 335.476 4.656 40 30 EJEBRN Cc1ccc(/N=C\c2ccc(OCC(=O)Nc3ccccc3)cc2)cc1 ZINC000100138557 257870500 /nfs/dbraw/zinc/87/05/00/257870500.db2.gz BUNODBOTYCUAMH-HAHDFKILSA-N 0 0 344.414 4.763 40 30 EJEBRN CC[C@@H](C)Oc1c(Cl)cc(/C=N\c2ccc(OC)nc2)cc1OC ZINC000409388326 257871351 /nfs/dbraw/zinc/87/13/51/257871351.db2.gz UAOUSAOPIVMYEO-SVKBEJCWSA-N 0 0 348.830 4.680 40 30 EJEBRN COc1cc(Br)c(/C=N/c2cccc(C)c2)cc1OC ZINC000409215920 257874280 /nfs/dbraw/zinc/87/42/80/257874280.db2.gz GLXHRQZZGAHZDD-VCHYOVAHSA-N 0 0 334.213 4.525 40 30 EJEBRN N#CCOc1ccc([C@@H]2Nc3c(F)cc(F)cc3[C@H]3C=CC[C@@H]32)cc1 ZINC000409160201 257876758 /nfs/dbraw/zinc/87/67/58/257876758.db2.gz TUOQMSVPMZCORE-BXWFABGCSA-N 0 0 338.357 4.694 40 30 EJEBRN N#CCOc1ccc([C@@H]2Nc3c(F)cc(F)cc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000409160289 257876846 /nfs/dbraw/zinc/87/68/46/257876846.db2.gz TUOQMSVPMZCORE-GJYPPUQNSA-N 0 0 338.357 4.694 40 30 EJEBRN C=CCOc1ccc(CNc2ccc(C)cc2)cc1Br ZINC000409118878 257878166 /nfs/dbraw/zinc/87/81/66/257878166.db2.gz OTFDSAGYFUNRQQ-UHFFFAOYSA-N 0 0 332.241 4.934 40 30 EJEBRN C=CCc1cc(CNc2ccccc2CC)cc(OCC)c1OC ZINC000409116682 257878477 /nfs/dbraw/zinc/87/84/77/257878477.db2.gz LJKPWVSNRATJID-UHFFFAOYSA-N 0 0 325.452 4.997 40 30 EJEBRN C=CCN1C(=O)S/C(=C/c2ccc(-c3cccc(Cl)c3)o2)C1=O ZINC000409066773 257880973 /nfs/dbraw/zinc/88/09/73/257880973.db2.gz MGANNORPMLHOSW-XNTDXEJSSA-N 0 0 345.807 4.822 40 30 EJEBRN O=C(O/N=C(/Cc1ccccc1)c1cccs1)c1cccc(F)c1 ZINC000409052140 257881562 /nfs/dbraw/zinc/88/15/62/257881562.db2.gz GORAIZXONZASPW-FXBPSFAMSA-N 0 0 339.391 4.691 40 30 EJEBRN CCN1C(=O)/C(=C\c2cccs2)S/C1=N\c1cc(C)ccc1C ZINC000408910257 257886438 /nfs/dbraw/zinc/88/64/38/257886438.db2.gz JEOJZLZWESATOW-BDYZYUDZSA-N 0 0 342.489 4.989 40 30 EJEBRN Cc1cccc(NN=C2C=C(c3ccc4ccccc4c3)OC2=O)c1 ZINC000408725464 257890816 /nfs/dbraw/zinc/89/08/16/257890816.db2.gz PJQKFBFTSLITCX-NMWGTECJSA-N 0 0 328.371 4.514 40 30 EJEBRN CCCCCCCCCCNC(=O)C(=O)Nc1c(C)cc(C)cc1C ZINC000408707406 257892646 /nfs/dbraw/zinc/89/26/46/257892646.db2.gz AHVYPRMTIOLEDX-UHFFFAOYSA-N 0 0 346.515 4.807 40 30 EJEBRN CCOc1ccc2ccccc2c1/C=N/OCc1ccccc1C#N ZINC000408589096 257895084 /nfs/dbraw/zinc/89/50/84/257895084.db2.gz DANPQDIUDGRSIH-OEAKJJBVSA-N 0 0 330.387 4.661 40 30 EJEBRN C=CCOc1cccc(NC(=O)[C@H](C)Sc2ccc(C)cc2)c1 ZINC000408576038 257895926 /nfs/dbraw/zinc/89/59/26/257895926.db2.gz QQFBINGNUDUUBU-HNNXBMFYSA-N 0 0 327.449 4.679 40 30 EJEBRN C=CCc1ccc(OC(=O)Nc2ccc(SC)cc2)c(OC)c1 ZINC000001741774 257900757 /nfs/dbraw/zinc/90/07/57/257900757.db2.gz NMISBQYEVLXFLV-UHFFFAOYSA-N 0 0 329.421 4.757 40 30 EJEBRN CCCCCOc1ccc(C(C)=NNc2nc3ccccc3[nH]2)cc1 ZINC000059417095 257850649 /nfs/dbraw/zinc/85/06/49/257850649.db2.gz OQIVXDUCGCEFLX-HAHDFKILSA-N 0 0 336.439 4.968 40 30 EJEBRN O=[N+]([O-])c1ccc(N/N=C(\Sc2ccccc2)c2ccco2)cc1 ZINC000013410224 258056134 /nfs/dbraw/zinc/05/61/34/258056134.db2.gz LDVYZHCNCBVYHR-ZPHPHTNESA-N 0 0 339.376 4.754 40 30 EJEBRN C=C/C=C\CC1=C(C)[C@@H](OC(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)CC1=O ZINC000004632605 518657971 /nfs/dbraw/zinc/65/79/71/518657971.db2.gz ROVGZAWFACYCSP-VUMXUWRFSA-N 0 0 328.452 4.558 40 30 in-man EJEBRN C=CCc1cc(C(=O)NCc2ccc3ccccc3c2)ccc1OC ZINC000222780557 519128284 /nfs/dbraw/zinc/12/82/84/519128284.db2.gz QOKCJWDNFADXQF-UHFFFAOYSA-N 0 0 331.415 4.507 40 30 EJEBRN C[C@@H](C/C=N/N1CCCCC1)Nc1ccnc2cc(Cl)ccc21 ZINC000006425777 524308559 /nfs/dbraw/zinc/30/85/59/524308559.db2.gz VIJKAUNKFZAHMN-MNUWJXFPSA-N 0 0 330.863 4.550 40 30 EJEBRN CCCCC[C@](C)(OC)C(=O)Nc1ccc(O[C@H](C)CC)cc1C#N ZINC000225803044 535139189 /nfs/dbraw/zinc/13/91/89/535139189.db2.gz BITQCNZGEAVGEA-QRWLVFNGSA-N 0 0 346.471 4.659 40 30 EJEBRN CCCOc1ccc(NC(=O)[C@@](C)(CC(C)C)OCCC)c(C#N)c1 ZINC000225841160 535275202 /nfs/dbraw/zinc/27/52/02/535275202.db2.gz RFWMGHGSDVOQHW-HXUWFJFHSA-N 0 0 346.471 4.517 40 30 EJEBRN CCN(CC)c1ccc(/C=C2/Sc3ccccc3C2=O)c(O)c1 ZINC000000208123 563260048 /nfs/dbraw/zinc/26/00/48/563260048.db2.gz BELDYRUVTOMCCD-WOJGMQOQSA-N 0 0 325.433 4.568 40 30 EJEBRN Cc1ccc(C(O)(C/N=C/c2ccccc2)c2ccc(C)cc2)cc1 ZINC000001438156 563389177 /nfs/dbraw/zinc/38/91/77/563389177.db2.gz YMDNZYJCZDLUAL-LFVJCYFKSA-N 0 0 329.443 4.658 40 30 EJEBRN CCN(CC)c1ccc(/C=N/c2ccnc3ccc(OC)cc23)cc1 ZINC000001683238 563403198 /nfs/dbraw/zinc/40/31/98/563403198.db2.gz GNFCCVQPIQVHOX-HZHRSRAPSA-N 0 0 333.435 4.840 40 30 EJEBRN CC(C)Cc1ccc(NC2=C(Cl)C(=O)c3ccccc3C2=O)cc1 ZINC000001722489 563407247 /nfs/dbraw/zinc/40/72/47/563407247.db2.gz XXVYMPHZLZVJEN-UHFFFAOYSA-N 0 0 339.822 4.827 40 30 EJEBRN C=CCOc1ccc(C(=O)Nc2ccc(C)cc2C)cc1OCC ZINC000408534544 563425183 /nfs/dbraw/zinc/42/51/83/563425183.db2.gz VLHDFEXHZCCBEJ-UHFFFAOYSA-N 0 0 325.408 4.519 40 30 EJEBRN COc1cc(C)c(/C=N\c2ccccc2Br)cc1OC ZINC000408548840 563459039 /nfs/dbraw/zinc/45/90/39/563459039.db2.gz LZEUNIRXJMXJLU-ZDLGFXPLSA-N 0 0 334.213 4.525 40 30 EJEBRN C=CCOc1ccc(NC(=O)CSCc2cc(C)cc(C)c2)cc1 ZINC000408573356 563482571 /nfs/dbraw/zinc/48/25/71/563482571.db2.gz CJYRCLQCNNWIOS-UHFFFAOYSA-N 0 0 341.476 4.740 40 30 EJEBRN C=CCOc1ccc(NC(=O)[C@H](C)SCc2ccccc2)cc1 ZINC000408576354 563482885 /nfs/dbraw/zinc/48/28/85/563482885.db2.gz SQHBHDJIUSSXEF-HNNXBMFYSA-N 0 0 327.449 4.512 40 30 EJEBRN Cc1cc(/C=N\OCc2ccccc2C#N)c(C)n1-c1ccccc1 ZINC000408592646 563492663 /nfs/dbraw/zinc/49/26/63/563492663.db2.gz NFBZENZARBJKSB-UCQKPKSFSA-N 0 0 329.403 4.517 40 30 EJEBRN CCOc1c(Cl)cc(/C=N/OCc2ccccc2C#N)cc1Cl ZINC000408594653 563493771 /nfs/dbraw/zinc/49/37/71/563493771.db2.gz UPPLGZXKYGYJIC-UFFVCSGVSA-N 0 0 349.217 4.814 40 30 EJEBRN O=[N+]([O-])c1cccc(CO/N=C/c2ccc(-c3ccccc3)cc2)c1 ZINC000408595177 563494201 /nfs/dbraw/zinc/49/42/01/563494201.db2.gz VVIARVAYBQOXRJ-KGENOOAVSA-N 0 0 332.359 4.813 40 30 EJEBRN O=[N+]([O-])c1cccc(CO/N=C/c2cccc(Oc3ccccc3)c2)c1 ZINC000408595200 563494262 /nfs/dbraw/zinc/49/42/62/563494262.db2.gz VYXZVGWAHPETEM-KGENOOAVSA-N 0 0 348.358 4.938 40 30 EJEBRN N#Cc1ccccc1CO/N=C/c1ccccc1OCc1ccccc1 ZINC000408596822 563495108 /nfs/dbraw/zinc/49/51/08/563495108.db2.gz VEEHESSBHRFPMZ-BUVRLJJBSA-N 0 0 342.398 4.688 40 30 EJEBRN N#CC(=NNc1cccc2ccccc21)c1nc2ccccc2s1 ZINC000004292821 563499375 /nfs/dbraw/zinc/49/93/75/563499375.db2.gz XPXQVWPFRFWPJX-QJOMJCCJSA-N 0 0 328.400 4.789 40 30 EJEBRN Cc1ccc(O)c(/C=N/c2nc3ccc(Br)cc3s2)c1 ZINC000005541917 563538137 /nfs/dbraw/zinc/53/81/37/563538137.db2.gz SNZPLIVVXQZZTR-CAOOACKPSA-N 0 0 347.237 4.823 40 30 EJEBRN Cc1ccc(/C=C2/S/C(=N\c3ccc(Cl)cc3)NC2=O)cc1 ZINC000005610647 563542968 /nfs/dbraw/zinc/54/29/68/563542968.db2.gz QEIYTQGGNYWELB-XNTDXEJSSA-N 0 0 328.824 4.540 40 30 EJEBRN CN1c2ccccc2S/C1=C/C=C/C=C1C(=O)CC(C)(C)CC1=O ZINC000005705777 563546252 /nfs/dbraw/zinc/54/62/52/563546252.db2.gz HJDAPXPNEAVTNN-DQCBVTNPSA-N 0 0 339.460 4.511 40 30 EJEBRN c1ccc(C(=NN=c2[nH]c3ccccc3s2)c2ccccn2)cc1 ZINC000005706507 563546719 /nfs/dbraw/zinc/54/67/19/563546719.db2.gz YAMFSZLGGBDHDG-PYCFMQQDSA-N 0 0 330.416 4.556 40 30 in-vitro EJEBRN N#C[C@@H](c1ccccc1)N(CCc1ccccc1)C(=O)c1ccccc1 ZINC000006574987 563573226 /nfs/dbraw/zinc/57/32/26/563573226.db2.gz RBWIHMFKEXHVGZ-QFIPXVFZSA-N 0 0 340.426 4.636 40 30 EJEBRN CCCCCCCCCNC(=O)C(=O)Nc1ccc(C(C)C)cc1 ZINC000408708538 563596518 /nfs/dbraw/zinc/59/65/18/563596518.db2.gz JQPAEJBKVHMFPD-UHFFFAOYSA-N 0 0 332.488 4.615 40 30 EJEBRN O=[N+]([O-])c1ccccc1/C=N/c1nc2c(s1)-c1ccccc1CC2 ZINC000408722308 563618633 /nfs/dbraw/zinc/61/86/33/563618633.db2.gz GVGLLJWHFVRECH-YBFXNURJSA-N 0 0 335.388 4.568 40 30 EJEBRN COc1ccc(/C=N/c2ccc(N3Cc4ccccc4C3)cc2)cc1 ZINC000408733732 563633612 /nfs/dbraw/zinc/63/36/12/563633612.db2.gz PFAYAWDBOSCLMU-OEAKJJBVSA-N 0 0 328.415 4.966 40 30 EJEBRN CC(=O)Nc1ccc(/N=C/c2cc(C)n(-c3ccccc3)c2C)cc1 ZINC000408737860 563635257 /nfs/dbraw/zinc/63/52/57/563635257.db2.gz INMBCIOQYSTFRL-HYARGMPZSA-N 0 0 331.419 4.803 40 30 EJEBRN O=C(Cc1ccccc1)C(Cc1ccccc1)=NNc1ccccc1 ZINC000013402526 563697768 /nfs/dbraw/zinc/69/77/68/563697768.db2.gz YOCVIESOCFYSJA-DARPEHSRSA-N 0 0 328.415 4.509 40 30 EJEBRN O=C1N=C(Nc2ccccc2)C(=Nc2ccccc2)N1c1ccccc1 ZINC000016958715 563827268 /nfs/dbraw/zinc/82/72/68/563827268.db2.gz GVOSDWFMUICKEL-BSYVCWPDSA-N 0 0 340.386 4.881 40 30 EJEBRN C=C1CCCC(N=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C12CCCC2 ZINC000017002169 563828515 /nfs/dbraw/zinc/82/85/15/563828515.db2.gz MAFDAQMXTRVVSO-KNTRCKAVSA-N 0 0 344.371 4.571 40 30 EJEBRN CCCCCCC(C=NNc1nc(C)cc(=O)[nH]1)=Cc1ccccc1 ZINC000017014846 563828548 /nfs/dbraw/zinc/82/85/48/563828548.db2.gz KHNIKCNDILKBAA-VUYRMCIOSA-N 0 0 338.455 4.530 40 30 EJEBRN CN(C)c1ccc(/N=C(\C(=O)c2ccccc2)c2ccccc2)cc1 ZINC000017161051 563839179 /nfs/dbraw/zinc/83/91/79/563839179.db2.gz VZPVVPDSPKHMIV-LNVKXUELSA-N 0 0 328.415 4.756 40 30 EJEBRN COc1cc(NCC(C#N)C#N)ccc1/N=N/c1ccc(Cl)cc1 ZINC000018180957 563850692 /nfs/dbraw/zinc/85/06/92/563850692.db2.gz RHCCMWMRCRPEBD-GHVJWSGMSA-N 0 0 339.786 4.839 40 30 EJEBRN Cc1ccc(NN=C2c3cc(C(C)C)ccc3NC2=O)cc1Cl ZINC000059154497 563947757 /nfs/dbraw/zinc/94/77/57/563947757.db2.gz HRCPAFOJGBTCLA-UHFFFAOYSA-N 0 0 327.815 4.540 40 30 EJEBRN CC(C)c1ccc(C=NN2C(=S)N=NC2C2CCCCC2)cc1 ZINC000253616971 563950404 /nfs/dbraw/zinc/95/04/04/563950404.db2.gz JBDLCESJJQMSJI-UHFFFAOYSA-N 0 0 328.485 4.620 40 30 EJEBRN N#C[C@H](c1ccc(F)cc1)c1ccc(C(=O)c2ccccc2F)cc1 ZINC000064220270 563956686 /nfs/dbraw/zinc/95/66/86/563956686.db2.gz WEHVYOPCJBDJAK-IBGZPJMESA-N 0 0 333.337 4.851 40 30 EJEBRN COc1ccc(-c2ccc(/C=C/C(=O)c3ccccc3)o2)c([N+](=O)[O-])c1 ZINC000090529791 563963445 /nfs/dbraw/zinc/96/34/45/563963445.db2.gz QFVBZEOTYBPGPQ-DHZHZOJOSA-N 0 0 349.342 4.760 40 30 EJEBRN C=CCOc1cccc(NC(=O)[C@H](CC)Oc2ccc(CC)cc2)c1 ZINC000222887356 563974989 /nfs/dbraw/zinc/97/49/89/563974989.db2.gz HNCDJXCPWVCVNS-FQEVSTJZSA-N 0 0 339.435 4.610 40 30 EJEBRN C=CCSc1ccccc1C(=O)N[C@H](C)c1ccc2c(c1)CCC2 ZINC000223231078 563981305 /nfs/dbraw/zinc/98/13/05/563981305.db2.gz BCLQXZIAQPZXTR-OAHLLOKOSA-N 0 0 337.488 4.944 40 30 EJEBRN CCOc1cc(/C=N/O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000103851782 563983466 /nfs/dbraw/zinc/98/34/66/563983466.db2.gz JKQYLWIWFUXHNG-DJKKODMXSA-N 0 0 340.206 4.779 40 30 EJEBRN C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C(C)(C)C(=O)C=C[C@]34C)[C@]1(C)CC[C@H]2O ZINC000118932955 563992523 /nfs/dbraw/zinc/99/25/23/563992523.db2.gz HMVLGFGCMLJNDB-BQFHRQOUSA-N 0 0 330.512 4.761 40 30 EJEBRN C=CCOc1ccc(NC(=S)NC2(c3ccco3)CCCC2)cc1 ZINC000225868311 563996016 /nfs/dbraw/zinc/99/60/16/563996016.db2.gz CXVGDEVFLRWBFX-UHFFFAOYSA-N 0 0 342.464 4.600 40 30 EJEBRN O=C1CCCC2=C1[C@H](c1cccs1)Nc1ccc3ncccc3c12 ZINC000000101308 563996600 /nfs/dbraw/zinc/99/66/00/563996600.db2.gz JJTHTXHIRXGBTR-FQEVSTJZSA-N 0 0 332.428 4.970 40 30 EJEBRN C#CCOc1c(Cl)cc(/C=N/c2ccc(C)cc2C)cc1OC ZINC000008368499 563998478 /nfs/dbraw/zinc/99/84/78/563998478.db2.gz SYRMRMPGJSOWKH-CIAFOILYSA-N 0 0 327.811 4.728 40 30 EJEBRN C=CCn1c(=O)c2sc(-c3cccc(Cl)c3)cc2[n-]c1=S ZINC000096361351 564002109 /nfs/dbraw/zinc/00/21/09/564002109.db2.gz CYXDLORSJIGWFA-UHFFFAOYSA-N 0 0 334.853 4.627 40 30 EJEBRN CC(=O)Nc1ccc(/C=N/c2ccc3c(c2)Cc2ccccc2-3)cc1 ZINC000018181568 564004727 /nfs/dbraw/zinc/00/47/27/564004727.db2.gz ZQBMECFEYIYYFZ-OEAKJJBVSA-N 0 0 326.399 4.967 40 30 EJEBRN O=C(ON=C1c2ccccc2-c2ccccc21)c1ccccc1Cl ZINC000003127090 564006780 /nfs/dbraw/zinc/00/67/80/564006780.db2.gz HTCHNFZETWEOJI-UHFFFAOYSA-N 0 0 333.774 4.930 40 30 EJEBRN O=C(COc1ccc(/C=N\c2ccccc2F)cc1)Nc1ccccc1 ZINC000408806662 564007298 /nfs/dbraw/zinc/00/72/98/564007298.db2.gz GGVWPCIQULAQMO-UCQKPKSFSA-N 0 0 348.377 4.594 40 30 EJEBRN Cc1cc(Br)ccc1/N=C\c1ccc(N2CCCC2)o1 ZINC000408848741 564007599 /nfs/dbraw/zinc/00/75/99/564007599.db2.gz SFIRWPOMNSBBIO-WQRHYEAKSA-N 0 0 333.229 4.701 40 30 EJEBRN C=CCOc1ccc2ccccc2c1C=NNc1ccc([N+](=O)[O-])cc1 ZINC000408912754 564007950 /nfs/dbraw/zinc/00/79/50/564007950.db2.gz RWWIQEFAOJKDCA-STZFKDTASA-N 0 0 347.374 4.759 40 30 EJEBRN Fc1ccccc1/N=C\c1cc(Br)c(Br)o1 ZINC000408950047 564008192 /nfs/dbraw/zinc/00/81/92/564008192.db2.gz DFPABIWFCWUUHQ-UUASQNMZSA-N 0 0 346.981 4.694 40 30 EJEBRN Brc1cccc(-n2cccc2/C=N\C2CCCCC2)c1 ZINC000409009429 564008872 /nfs/dbraw/zinc/00/88/72/564008872.db2.gz FQJXRNGGDGPNHR-UYRXBGFRSA-N 0 0 331.257 4.991 40 30 EJEBRN CCc1ccc(NC=CC(=O)c2cccc(Br)c2)cc1 ZINC000409054780 564009292 /nfs/dbraw/zinc/00/92/92/564009292.db2.gz NVMXYIZQSADETK-ZHACJKMWSA-N 0 0 330.225 4.820 40 30 EJEBRN O=[N+]([O-])c1cc(/C=N/c2cccc(Br)c2)ccc1Cl ZINC000409070899 564009480 /nfs/dbraw/zinc/00/94/80/564009480.db2.gz ZQQCVAYAGVVCAX-LZYBPNLTSA-N 0 0 339.576 4.761 40 30 EJEBRN O=[N+]([O-])c1cccnc1N=NCc1c2ccccc2cc2ccccc21 ZINC000409083492 564009540 /nfs/dbraw/zinc/00/95/40/564009540.db2.gz AZMWDUAYLAFKBT-LPYMAVHISA-N 0 0 342.358 4.742 40 30 EJEBRN Clc1ccc(/N=C\c2ccc(N3CCOCC3)cc2)cc1Cl ZINC000409093786 564009588 /nfs/dbraw/zinc/00/95/88/564009588.db2.gz BMWNVPBXFZDCJL-NDENLUEZSA-N 0 0 335.234 4.581 40 30 EJEBRN C=CCOc1c(CC=C)cc(CNc2ccc(OC)cc2)cc1OC ZINC000409111925 564010045 /nfs/dbraw/zinc/01/00/45/564010045.db2.gz AIFIQEQLCKYSOX-UHFFFAOYSA-N 0 0 339.435 4.609 40 30 EJEBRN C=CCOc1ccc(Br)cc1CNc1cccc(C)c1 ZINC000409121887 564010349 /nfs/dbraw/zinc/01/03/49/564010349.db2.gz VMZBGCVQMNRPDS-UHFFFAOYSA-N 0 0 332.241 4.934 40 30 EJEBRN Fc1cc(/C=N\c2ccc3ccccc3c2)ccc1N1CCOCC1 ZINC000409139620 564010492 /nfs/dbraw/zinc/01/04/92/564010492.db2.gz BMUSFGUELLZTRU-HAHDFKILSA-N 0 0 334.394 4.566 40 30 EJEBRN COc1ccc(Oc2ccc(NC=CC(=O)c3ccco3)cc2)cc1 ZINC000409179083 564010807 /nfs/dbraw/zinc/01/08/07/564010807.db2.gz PAMRLWVIGKNQRJ-OUKQBFOZSA-N 0 0 335.359 4.889 40 30 EJEBRN CCOc1ccc(-n2c(C)cc(/C=N\c3ccccc3O)c2C)cc1 ZINC000409183441 564010875 /nfs/dbraw/zinc/01/08/75/564010875.db2.gz CQUDWQQFPSWWBY-HMAPJEAMSA-N 0 0 334.419 4.949 40 30 EJEBRN C=CCOc1ccc(CNc2ccc(F)cc2)cc1Br ZINC000409195930 564010958 /nfs/dbraw/zinc/01/09/58/564010958.db2.gz SUPNVRKPQWCAJP-UHFFFAOYSA-N 0 0 336.204 4.765 40 30 EJEBRN CCOc1cc(/C=N/c2c(C)nn(-c3ccccc3)c2C)ccc1OC ZINC000001100268 564013015 /nfs/dbraw/zinc/01/30/15/564013015.db2.gz FPXBLPJMSVZHOT-HYARGMPZSA-N 0 0 349.434 4.647 40 30 EJEBRN C=CCn1cc(C=NN=c2[nH]c3ccccc3s2)c2ccccc21 ZINC000006313082 564014718 /nfs/dbraw/zinc/01/47/18/564014718.db2.gz LGEVMAKZVDVKSX-UDWIEESQSA-N 0 0 332.432 4.883 40 30 EJEBRN Cc1ccc(/C=N/NCc2ccccc2Cl)cc1Br ZINC000008811524 564015139 /nfs/dbraw/zinc/01/51/39/564015139.db2.gz QERAADDEGBHRHT-GIJQJNRQSA-N 0 0 337.648 4.535 40 30 EJEBRN CC(=O)C1=C(C)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000043760890 564026583 /nfs/dbraw/zinc/02/65/83/564026583.db2.gz CRCLPPBJMHAOFC-RPRDNOHOSA-N 0 0 330.512 4.905 40 30 EJEBRN CCOP(=O)(OCC)[C@@H](CC#N)c1ccc(C(F)(F)F)cc1 ZINC000005334467 564031959 /nfs/dbraw/zinc/03/19/59/564031959.db2.gz HKNDILLGKHOXIV-ZDUSSCGKSA-N 0 0 335.262 4.926 40 30 EJEBRN COc1ccccc1CN/N=C/c1c(C)n(C(C)C)c2ccccc12 ZINC000020763604 564033475 /nfs/dbraw/zinc/03/34/75/564033475.db2.gz PNHRQCJQCDKSTQ-OEAKJJBVSA-N 0 0 335.451 4.663 40 30 EJEBRN FC(F)(F)c1ccc(NN=Cc2ccc(Cl)cc2Cl)nc1 ZINC000006866463 564034387 /nfs/dbraw/zinc/03/43/87/564034387.db2.gz PBEHTPDUJZMULK-CGOBSMCZSA-N 0 0 334.128 4.853 40 30 EJEBRN Cc1cc(C)c(-c2cs/c(=N\C3CC3)n2N=C2CCCC2)cc1C ZINC000007783040 564034480 /nfs/dbraw/zinc/03/44/80/564034480.db2.gz UFBPXJFWKLBRAM-MRCUWXFGSA-N 0 0 339.508 4.983 40 30 EJEBRN CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccc(CC#N)cc1 ZINC000223011904 564038786 /nfs/dbraw/zinc/03/87/86/564038786.db2.gz GTRXABZFZXFRIO-SFHVURJKSA-N 0 0 342.826 4.511 40 30 EJEBRN N#CCc1ccc(NC(=O)CCc2c(Cl)cccc2Cl)cc1 ZINC000225347688 564046102 /nfs/dbraw/zinc/04/61/02/564046102.db2.gz VPYNJCVNYPZXLN-UHFFFAOYSA-N 0 0 333.218 4.631 40 30 EJEBRN CC1=C/C(=N/OC(=O)c2ccccc2Br)CC(C)(C)C1 ZINC000033306263 564050135 /nfs/dbraw/zinc/05/01/35/564050135.db2.gz DKDNJLJBXFPMLI-PDGQHHTCSA-N 0 0 336.229 4.728 40 30 EJEBRN C=CCc1cc(/C=N/c2cc(Cl)ccc2OC)cc(OCC)c1O ZINC000059248917 564050545 /nfs/dbraw/zinc/05/05/45/564050545.db2.gz MMQBWDUSYCRYKV-CIAFOILYSA-N 0 0 345.826 4.932 40 30 EJEBRN CC(C)c1ccc(/C=C2/C(=O)ON=C2c2ccc(Cl)cc2)cc1 ZINC000059483081 564050786 /nfs/dbraw/zinc/05/07/86/564050786.db2.gz UJQJWUBXGONAOX-GZTJUZNOSA-N 0 0 325.795 4.808 40 30 EJEBRN CC(=NO)C1=CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000299888599 564060887 /nfs/dbraw/zinc/06/08/87/564060887.db2.gz PUAYLIXQYVQBPE-RRPFGEQOSA-N 0 0 329.484 4.697 40 30 EJEBRN Cc1ccc(Sc2cc(C#N)c(C#N)cc2N2CCCCC2)cc1 ZINC000035146717 564073845 /nfs/dbraw/zinc/07/38/45/564073845.db2.gz ALBMFFUYNRXKDM-UHFFFAOYSA-N 0 0 333.460 4.880 40 30 EJEBRN C=CCOc1cc2c(cc1[C@H](CC)c1ccc(OC)cc1)OCO2 ZINC000001582283 564074695 /nfs/dbraw/zinc/07/46/95/564074695.db2.gz BNYAKCHYWDHNEA-MRXNPFEDSA-N 0 0 326.392 4.531 40 30 EJEBRN Brc1ccccc1C#Cc1ccccc1Br ZINC000001597669 564074707 /nfs/dbraw/zinc/07/47/07/564074707.db2.gz RVGSIXSCGKMAOK-UHFFFAOYSA-N 0 0 336.026 4.611 40 30 EJEBRN C=CCc1cc(C(=O)N[C@H](CC(C)C)c2ccccc2)ccc1OC ZINC000030854739 564079287 /nfs/dbraw/zinc/07/92/87/564079287.db2.gz WRDNJBSJXVTJFF-HXUWFJFHSA-N 0 0 337.463 4.941 40 30 EJEBRN C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C(Cl)C(=O)C=C[C@]4(C)[C@H]3CC[C@@]21C ZINC000118932909 564084501 /nfs/dbraw/zinc/08/45/01/564084501.db2.gz AGUNEISBPXQOPA-NTSZXJHNSA-N 0 0 334.887 4.612 40 30 EJEBRN Brc1ccc(C=NNc2nc3ccccc3s2)cc1 ZINC000031904355 564085788 /nfs/dbraw/zinc/08/57/88/564085788.db2.gz VLZHSOCUZZULMP-SXGWCWSVSA-N 0 0 332.226 4.505 40 30 EJEBRN CCOc1cc(/C=N/c2cc(C)ccc2C)cc(Br)c1O ZINC000006958588 564126348 /nfs/dbraw/zinc/12/63/48/564126348.db2.gz KSYLBFHBADIMET-VXLYETTFSA-N 0 0 348.240 4.921 40 30 EJEBRN CCOc1ccc(/N=C/c2cc(Br)ccc2OCC)cc1 ZINC000006962348 564126411 /nfs/dbraw/zinc/12/64/11/564126411.db2.gz HMALFKDMZAKWCX-XDHOZWIPSA-N 0 0 348.240 4.997 40 30 EJEBRN CCOc1ccc2ccccc2c1C=NN=c1[nH]c2ccccc2n1C ZINC000007343407 564126645 /nfs/dbraw/zinc/12/66/45/564126645.db2.gz HKCMDSZSDFTYJW-HYARGMPZSA-N 0 0 344.418 4.571 40 30 EJEBRN CCc1ccc(/N=C/c2cc(C)n(NC(=O)c3ccccc3)c2C)cc1 ZINC000008084586 564127061 /nfs/dbraw/zinc/12/70/61/564127061.db2.gz AZUSKFOJZDKEIH-HZHRSRAPSA-N 0 0 345.446 4.802 40 30 EJEBRN C=CCOc1c(Br)cc(/C=N/c2ccccc2)cc1OC ZINC000008111014 564127091 /nfs/dbraw/zinc/12/70/91/564127091.db2.gz MWHVCSPFVKSTRR-XDHOZWIPSA-N 0 0 346.224 4.773 40 30 EJEBRN Cc1cc(/C=N/c2ccc(C)cc2)c(C)n1NC(=O)c1ccccc1 ZINC000008371847 564127336 /nfs/dbraw/zinc/12/73/36/564127336.db2.gz YZTYGFGGCCFQTH-HYARGMPZSA-N 0 0 331.419 4.548 40 30 EJEBRN C=CCSc1nnc(Cc2ccccc2)n1-c1ccc(Cl)cc1 ZINC000058024071 564128578 /nfs/dbraw/zinc/12/85/78/564128578.db2.gz ADMHJHRCUMYGIM-UHFFFAOYSA-N 0 0 341.867 4.790 40 30 EJEBRN C=CCOc1cccc(NC(=O)CCSc2ccc(C)cc2)c1 ZINC000060512714 564128617 /nfs/dbraw/zinc/12/86/17/564128617.db2.gz VVBAAXHOKVYLFK-UHFFFAOYSA-N 0 0 327.449 4.681 40 30 EJEBRN Oc1ccccc1/C=N/c1ccc(-c2nnc(-c3ccccc3)o2)cc1 ZINC000003045115 564129744 /nfs/dbraw/zinc/12/97/44/564129744.db2.gz VKIZRUSVHKIKLR-HYARGMPZSA-N 0 0 341.370 4.860 40 30 EJEBRN N#Cc1ccccc1NC(=O)COc1ccc(C2CCCCC2)cc1 ZINC000009141787 564134248 /nfs/dbraw/zinc/13/42/48/564134248.db2.gz WFZCVRNJDIVYKW-UHFFFAOYSA-N 0 0 334.419 4.623 40 30 EJEBRN CC(C)Oc1ccc(NC(=O)C2(c3ccccc3)CCCC2)cc1C#N ZINC000225675874 564146720 /nfs/dbraw/zinc/14/67/20/564146720.db2.gz PBCKKMSAZFMXBM-UHFFFAOYSA-N 0 0 348.446 4.796 40 30 EJEBRN CCCCc1nc(SCc2cccc3ccccc32)nc(N)c1C#N ZINC000225893074 564150884 /nfs/dbraw/zinc/15/08/84/564150884.db2.gz YFEVWGNKGVFOHL-UHFFFAOYSA-N 0 0 348.475 4.719 40 30 EJEBRN Cc1ccc(C(=O)OC2=C(c3ccccc3)C(=O)c3ccccc32)cc1 ZINC000003092162 564155094 /nfs/dbraw/zinc/15/50/94/564155094.db2.gz TWLLIUNOQPRIFZ-UHFFFAOYSA-N 0 0 340.378 4.917 40 30 EJEBRN Cc1ccc(/N=C/c2cc(C)cc(/C=N/c3ccc(C)cn3)c2O)nc1 ZINC000100146955 219092404 /nfs/dbraw/zinc/09/24/04/219092404.db2.gz DHKDPKHYGWLHPJ-DWGHPKEWSA-N 0 0 344.418 4.609 40 30 EJEBRN Oc1ccc(Br)cc1/C=N\c1cccc(C(F)(F)F)c1 ZINC000100315290 219096743 /nfs/dbraw/zinc/09/67/43/219096743.db2.gz HZEUNSTWVBILMM-UWVJOHFNSA-N 0 0 344.130 4.924 40 30 EJEBRN CCO/C=N/c1c(C#N)c(-c2ccc(OC)cc2)cn1-c1ccccc1 ZINC000100350671 219097660 /nfs/dbraw/zinc/09/76/60/219097660.db2.gz KMZHLUOOEKXSMG-HZHRSRAPSA-N 0 0 345.402 4.721 40 30 EJEBRN CCN(CC)c1ccc(/C=N\c2ccnc3ccc(OC)cc23)cc1 ZINC000100680426 219104241 /nfs/dbraw/zinc/10/42/41/219104241.db2.gz GNFCCVQPIQVHOX-HAHDFKILSA-N 0 0 333.435 4.840 40 30 EJEBRN Fc1ccc(/N=C\c2nnn(-c3ccccc3)c2-c2ccccc2)cc1 ZINC000100931198 219112003 /nfs/dbraw/zinc/11/20/03/219112003.db2.gz YSCJVJUQCHGZGZ-HAHDFKILSA-N 0 0 342.377 4.824 40 30 EJEBRN CC(=O)Nc1ccc2c(c1)/C(=N\c1ccc(F)cc1)c1ccccc1-2 ZINC000104180862 219355581 /nfs/dbraw/zinc/35/55/81/219355581.db2.gz VYXKCTVLODINGA-FLFQWRMESA-N 0 0 330.362 4.934 40 30 EJEBRN CN(C)c1ccc(/C=N\c2ccc3c(c2)[C@H](O)c2ccccc2-3)cc1 ZINC000104322086 219374595 /nfs/dbraw/zinc/37/45/95/219374595.db2.gz VRPLRUBUDZKINE-QPHMKDBKSA-N 0 0 328.415 4.565 40 30 EJEBRN CC(=O)C(N=Nc1ccc(Cl)cc1)C(C)=Nc1ccc(C)cc1 ZINC000104317929 219374603 /nfs/dbraw/zinc/37/46/03/219374603.db2.gz BDUQGXQYUZUWHE-IBGAOZTISA-N 0 0 327.815 4.798 40 30 EJEBRN CCOc1ccc(/N=C/c2cc(Br)ccc2OC)cc1 ZINC000000438494 209599833 /nfs/dbraw/zinc/59/98/33/209599833.db2.gz FSVNRJIHGGTATK-WOJGMQOQSA-N 0 0 334.213 4.607 40 30 EJEBRN CCOC(=O)c1cccc(NC(C)=CC(=O)c2ccc(Cl)cc2)c1 ZINC000032100531 202221212 /nfs/dbraw/zinc/22/12/12/202221212.db2.gz LYCPKUBWHLCWMD-ACCUITESSA-N 0 0 343.810 4.715 40 30 EJEBRN Cc1cccc(C(=O)Nc2ccc3nc(N=NC(C)C)sc3c2)c1 ZINC000072229730 216070768 /nfs/dbraw/zinc/07/07/68/216070768.db2.gz OABJJFYUMCPQQP-UHFFFAOYSA-N 0 0 338.436 4.665 40 30 EJEBRN CC(C)(C)c1cc(CN=Nc2ccccn2)cc(C(C)(C)C)c1O ZINC000037431974 202341753 /nfs/dbraw/zinc/34/17/53/202341753.db2.gz JXDFKFCQTBJZSI-XKZIYDEJSA-N 0 0 325.456 4.828 40 30 EJEBRN C=CCOC(=O)/C=C/c1ccc(OCc2cccc(F)c2)c(Cl)c1 ZINC000216889249 241216901 /nfs/dbraw/zinc/21/69/01/241216901.db2.gz LDGOJSHQDCWKNR-VQHVLOKHSA-N 0 0 346.785 4.801 40 30 EJEBRN C=CCOC(=O)c1cc2nc(-c3ccc(Cl)cc3)[nH]c2c(Cl)c1 ZINC000216922246 241223273 /nfs/dbraw/zinc/22/32/73/241223273.db2.gz RSTKFVLIBAIOFG-UHFFFAOYSA-N 0 0 347.201 4.880 40 30 EJEBRN C#CCOC(=O)c1cc(-c2cccc3ccccc32)nc2ccccc21 ZINC000216941643 241226258 /nfs/dbraw/zinc/22/62/58/241226258.db2.gz IYGJLXJIJBYIPT-UHFFFAOYSA-N 0 0 337.378 4.845 40 30 EJEBRN C=CCOc1cccc(NC(=O)[C@@H](CC)Oc2cc(C)cc(C)c2)c1 ZINC000222989003 241590463 /nfs/dbraw/zinc/59/04/63/241590463.db2.gz PUBQSSYNHJMRGZ-HXUWFJFHSA-N 0 0 339.435 4.664 40 30 EJEBRN C=CCN(c1c(C)cc(C)cc1C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000224713574 241775692 /nfs/dbraw/zinc/77/56/92/241775692.db2.gz HBWURWGCUVMDLM-UHFFFAOYSA-N 0 0 349.883 4.647 40 30 EJEBRN CC1(C)COc2ccc(C(=O)/C=C/c3ccccc3F)cc2OC1 ZINC000225371933 241834739 /nfs/dbraw/zinc/83/47/39/241834739.db2.gz SIJIVCJPUJHIQW-VQHVLOKHSA-N 0 0 326.367 4.519 40 30 EJEBRN CCCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OC(C)C)c(C#N)c1 ZINC000225840978 242059621 /nfs/dbraw/zinc/05/96/21/242059621.db2.gz JDLFQKWLXNVASK-FQEVSTJZSA-N 0 0 346.471 4.515 40 30 EJEBRN CCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCCC)c(C#N)c1 ZINC000225846366 242061494 /nfs/dbraw/zinc/06/14/94/242061494.db2.gz UWZMAEGEVKUFJL-FQEVSTJZSA-N 0 0 346.471 4.661 40 30 EJEBRN Cc1ccccc1Cn1c(C#N)cc(N)c1Cc1ccc(Cl)cc1 ZINC000225855808 242063153 /nfs/dbraw/zinc/06/31/53/242063153.db2.gz XMZYNMXYIHKKBT-UHFFFAOYSA-N 0 0 335.838 4.543 40 30 EJEBRN Cc1ccc(C)c(Oc2c(N)cc(C#N)n2Cc2ccccc2F)c1 ZINC000225885330 242069842 /nfs/dbraw/zinc/06/98/42/242069842.db2.gz NOPJHPBDARFNER-UHFFFAOYSA-N 0 0 335.382 4.539 40 30 EJEBRN COc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCCC2)cc1C#N ZINC000225760064 242022976 /nfs/dbraw/zinc/02/29/76/242022976.db2.gz LNLMEVXLGCMXEC-UHFFFAOYSA-N 0 0 348.446 4.716 40 30 EJEBRN CCOC(=O)[C@]1(CC)C(=O)C=C(c2ccccc2)C[C@H]1c1ccccc1 ZINC000001564072 201511233 /nfs/dbraw/zinc/51/12/33/201511233.db2.gz PFAGDXKIOLDOED-REWPJTCUSA-N 0 0 348.442 4.786 40 30 EJEBRN CCOC(=O)[C@@]1(CC)C(=O)C=C(c2ccccc2)C[C@@H]1c1ccccc1 ZINC000001564069 201511687 /nfs/dbraw/zinc/51/16/87/201511687.db2.gz PFAGDXKIOLDOED-NFBKMPQASA-N 0 0 348.442 4.786 40 30 EJEBRN C=CCOC(=O)c1ccc2[nH]c(-c3cccc(Cl)c3Cl)nc2c1 ZINC000226236248 242091422 /nfs/dbraw/zinc/09/14/22/242091422.db2.gz WTMALNYDKWGITQ-UHFFFAOYSA-N 0 0 347.201 4.880 40 30 EJEBRN CC[C@H](C)Nc1nc(Nc2cccc(C#N)c2)cc(-c2ccccc2)n1 ZINC000244178256 243038256 /nfs/dbraw/zinc/03/82/56/243038256.db2.gz VHPHTDMXNGSVQH-HNNXBMFYSA-N 0 0 343.434 4.969 40 30 EJEBRN COc1ccc(OC)c(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000071977065 203156172 /nfs/dbraw/zinc/15/61/72/203156172.db2.gz NKOHNKUFSZDVTQ-QPJJXVBHSA-N 0 0 337.202 4.907 40 30 EJEBRN Cn1c2ccccc2s/c1=N/N=C1\C=C2CCCC[C@@]2(C)CC1 ZINC000104314950 204104437 /nfs/dbraw/zinc/10/44/37/204104437.db2.gz IUZHEHZKBGVLLY-UPWDDIDYSA-N 0 0 325.481 4.797 40 30 EJEBRN CC1(C)c2ccccc2NC1=CC(=O)C1=Nc2ccccc2C1(C)C ZINC000017969693 211976837 /nfs/dbraw/zinc/97/68/37/211976837.db2.gz ULHFMCPEWCMZKH-UYRXBGFRSA-N 0 0 330.431 4.907 40 30 EJEBRN CC(=O)N(/C=C1\Sc2ccccc2C1=O)c1ccc(Cl)cc1 ZINC000013483313 211565481 /nfs/dbraw/zinc/56/54/81/211565481.db2.gz DKGODMUZVKVDEV-YBEGLDIGSA-N 0 0 329.808 4.523 40 30 EJEBRN C=CCC1(CC=C)CCN1C(=O)c1ccnc2ccc(Cl)cc21 ZINC000012325732 211348869 /nfs/dbraw/zinc/34/88/69/211348869.db2.gz YDTSBTONVSITCI-UHFFFAOYSA-N 0 0 326.827 4.625 40 30 EJEBRN C=C1C(C)(C)[C@@H]2CC[C@@]1(C(=O)Nc1c(C)cc(C)cc1[N+](=O)[O-])C2 ZINC000005013992 210362412 /nfs/dbraw/zinc/36/24/12/210362412.db2.gz FVARSWRSCSCKGL-AUUYWEPGSA-N 0 0 328.412 4.533 40 30 EJEBRN Fc1ccc(NN=Cc2cccc(OCc3ccccc3)c2)c(F)c1 ZINC000004922946 210323550 /nfs/dbraw/zinc/32/35/50/210323550.db2.gz IHBPCDYNCPDVBB-YDZHTSKRSA-N 0 0 338.357 4.990 40 30 EJEBRN Oc1ccc2ccccc2c1/C=N/N=C\c1c(O)ccc2ccccc21 ZINC000004787600 210278720 /nfs/dbraw/zinc/27/87/20/210278720.db2.gz SYRBOMODLUADBZ-NQGGHMMCSA-N 0 0 340.382 4.857 40 30 EJEBRN C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C(Cl)C(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000118930612 221204890 /nfs/dbraw/zinc/20/48/90/221204890.db2.gz SOMOGWLYTLQJGT-NTSZXJHNSA-N 0 0 336.903 4.836 40 30 EJEBRN C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C(C)(C)C(=O)C=C[C@]34C)[C@]1(C)CC[C@@H]2O ZINC000118932952 221205092 /nfs/dbraw/zinc/20/50/92/221205092.db2.gz HMVLGFGCMLJNDB-UFLJLORGSA-N 0 0 330.512 4.761 40 30 EJEBRN Cc1cc(N2CCOCC2)ccc1/C=N\c1ccc(Cl)cc1Cl ZINC000409102703 257879512 /nfs/dbraw/zinc/87/95/12/257879512.db2.gz FAJMQRIMCYJZTP-MTJSOVHGSA-N 0 0 349.261 4.889 40 30 EJEBRN Cc1cccc(/N=C\c2cc(Br)c(Br)o2)c1 ZINC000408858349 257887043 /nfs/dbraw/zinc/88/70/43/257887043.db2.gz YKXIOQHXMIHMGC-CHHVJCJISA-N 0 0 343.018 4.864 40 30 EJEBRN CCOC(=O)c1cccc(/N=C/c2ccc(N3CCCC3)c(C)c2)c1 ZINC000408846905 257887509 /nfs/dbraw/zinc/88/75/09/257887509.db2.gz KOKIKMWFCBSXFK-PXLXIMEGSA-N 0 0 336.435 4.523 40 30 EJEBRN C=CCn1c(C)c(C=C2C(=O)c3ccccc3C2=O)c2ccccc21 ZINC000408818090 257887950 /nfs/dbraw/zinc/88/79/50/257887950.db2.gz ZFUNJYZCDOLGJV-UHFFFAOYSA-N 0 0 327.383 4.598 40 30 EJEBRN COc1ccc(C/N=C\c2cc(C)n(-c3ccc(F)cc3)c2C)cc1 ZINC000408791433 257888551 /nfs/dbraw/zinc/88/85/51/257888551.db2.gz YTAOSHAWFNBLCL-UCQKPKSFSA-N 0 0 336.410 4.861 40 30 EJEBRN Cc1ccc(Cl)cc1NC(=CC(=O)C(F)(F)F)c1ccncc1 ZINC000408738771 257889996 /nfs/dbraw/zinc/88/99/96/257889996.db2.gz OCXJAQUFMHRLTN-ZROIWOOFSA-N 0 0 340.732 4.628 40 30 EJEBRN Cc1ccc(N=C2NC(=O)/C(=C/c3ccccc3)S2)cc1Cl ZINC000408739390 257890061 /nfs/dbraw/zinc/89/00/61/257890061.db2.gz WBMIZEXSYUIGFB-DHDCSXOGSA-N 0 0 328.824 4.540 40 30 EJEBRN CC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C/C(=N/O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000034361855 257855137 /nfs/dbraw/zinc/85/51/37/257855137.db2.gz HMPWCNANWMGWIQ-YWVIAJDESA-N 0 0 345.483 4.711 40 30 EJEBRN CCC(=O)O[C@H]1C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@H]3CC[C@@]2(C)C1 ZINC000253502434 257916226 /nfs/dbraw/zinc/91/62/26/257916226.db2.gz SEFNHDCTTLMQJR-LFPDIOOPSA-N 0 0 342.479 4.616 40 30 EJEBRN C=CC[C@]1(O)CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000245238853 258005449 /nfs/dbraw/zinc/00/54/49/258005449.db2.gz BQXKIYVBCVCFAZ-PVDCFTIDSA-N 0 0 332.528 4.697 40 30 EJEBRN C=CC[C@]1(O)CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000253617211 258014714 /nfs/dbraw/zinc/01/47/14/258014714.db2.gz BQXKIYVBCVCFAZ-HOQLVIGXSA-N 0 0 332.528 4.697 40 30 EJEBRN C=C1C[C@@H]2[C@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@]2(C)C1=O ZINC000245240393 258073052 /nfs/dbraw/zinc/07/30/52/258073052.db2.gz PUCXZBGPUPYKFE-LFPDIOOPSA-N 0 0 342.479 4.616 40 30 EJEBRN CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CC/C(=N\O)[C@@]4(C)CC[C@H]32)C1 ZINC000245240602 262514849 /nfs/dbraw/zinc/51/48/49/262514849.db2.gz QLSVFSSDFUXCHZ-YEYGUKQESA-N 0 0 345.483 4.711 40 30 biogenic,in-vitro EJEBRN CC(N=Nc1c(F)cccc1F)c1ccc(N2CCCCC2)c(F)c1 ZINC000020159950 518462979 /nfs/dbraw/zinc/46/29/79/518462979.db2.gz CYLQEJGLABHJSE-YDZHTSKRSA-N 0 0 347.384 4.930 40 30 EJEBRN CC(CCC1CCCCC1)N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000016951795 518473567 /nfs/dbraw/zinc/47/35/67/518473567.db2.gz GIAGVLFHPOXNQL-SFQUDFHCSA-N 0 0 334.376 4.651 40 30 EJEBRN CCCCCCOc1ccc(C=NNc2nc3ccccc3[nH]2)cc1 ZINC000005695122 520103716 /nfs/dbraw/zinc/10/37/16/520103716.db2.gz QKIXCNPENLKAOC-RCCKNPSSSA-N 0 0 336.439 4.968 40 30 EJEBRN CCCCOc1ccc(/C=C2\C(=O)ON=C2c2cccc(C)c2)cc1 ZINC000005707765 520854798 /nfs/dbraw/zinc/85/47/98/520854798.db2.gz AOJSBGNFBANHGJ-RGEXLXHISA-N 0 0 335.403 4.518 40 30 EJEBRN COc1ccc(CN=Nc2nc(-c3ccc(C)cc3C)cs2)cc1 ZINC000004957169 523445597 /nfs/dbraw/zinc/44/55/97/523445597.db2.gz NJLUMYPVSWSZEQ-RGVLZGJSSA-N 0 0 337.448 4.882 40 30 EJEBRN C[C@@H]1C/C(=C\c2ccc(C#N)cc2)C(=O)/C(=C\c2ccc(C#N)cc2)C1 ZINC000253415762 526208330 /nfs/dbraw/zinc/20/83/30/526208330.db2.gz WOCLVPJDTLLCMY-OCDRBRIFSA-N 0 0 338.410 4.896 40 30 EJEBRN O=S(=O)(O[C@H]1C[C@]12CCCC[C@@H]2c1ccccc1)c1ccccc1 ZINC000005734706 527260522 /nfs/dbraw/zinc/26/05/22/527260522.db2.gz CQJLGYWTXRMZGF-AABGKKOBSA-N 0 0 342.460 4.508 40 30 EJEBRN O=[N+]([O-])c1ccc(C/N=C/c2ccccc2OCc2ccccc2)cc1 ZINC000035681323 527347133 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ZINC000103600065 563983413 /nfs/dbraw/zinc/98/34/13/563983413.db2.gz MAKOZDWQQOFNDA-UHFFFAOYSA-N 0 0 343.577 4.889 40 30 EJEBRN CCOc1ccccc1/C=N/N=C1c2ccccc2-c2ccccc21 ZINC000001710126 563405721 /nfs/dbraw/zinc/40/57/21/563405721.db2.gz AYUPSBQGSWMVGM-HZHRSRAPSA-N 0 0 326.399 4.937 40 30 EJEBRN C=CCOc1ccc(C(=O)Nc2ccc(C)c(Cl)c2)cc1OCC ZINC000408527576 563413088 /nfs/dbraw/zinc/41/30/88/563413088.db2.gz BZTQDTCZZHZUGS-UHFFFAOYSA-N 0 0 345.826 4.864 40 30 EJEBRN C=CCOc1ccc(NC(=O)CSc2ccc(Cl)cc2)cc1 ZINC000408567760 563478327 /nfs/dbraw/zinc/47/83/27/563478327.db2.gz RETJCJFLVJBOKI-UHFFFAOYSA-N 0 0 333.840 4.636 40 30 EJEBRN CCC(C)(C)[C@H]1CCC(=O)C(=CNc2ccc(C(=O)OC)cc2)C1 ZINC000408564264 563479956 /nfs/dbraw/zinc/47/99/56/563479956.db2.gz XSXGUNOBUJZHCW-MDJJKAFGSA-N 0 0 329.440 4.574 40 30 EJEBRN CC(C)Oc1ccc(/C=N/OCc2cccc([N+](=O)[O-])c2)cc1Cl ZINC000408589672 563487471 /nfs/dbraw/zinc/48/74/71/563487471.db2.gz FJNMQZHLIWHZFO-VXLYETTFSA-N 0 0 348.786 4.586 40 30 EJEBRN 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FC(F)(F)c1ccc(Cl)c(/N=C\c2ccc3c(c2)OCO3)c1 ZINC000104127404 219349434 /nfs/dbraw/zinc/34/94/34/219349434.db2.gz XGQOCESAPLRPPM-SCDVKCJHSA-N 0 0 327.689 4.838 40 30 EJEBRN COc1ccc(NC(CC(C)C)=C2C(=O)c3ccccc3C2=O)cc1 ZINC000104223542 219362008 /nfs/dbraw/zinc/36/20/08/219362008.db2.gz NNVVXMMPJMQVPQ-PYCFMQQDSA-N 0 0 335.403 4.509 40 30 EJEBRN CN(C)c1ccc(/C=N\c2ccc3c(c2)[C@@H](O)c2ccccc2-3)cc1 ZINC000104322092 219374241 /nfs/dbraw/zinc/37/42/41/219374241.db2.gz VRPLRUBUDZKINE-MQXJPVLKSA-N 0 0 328.415 4.565 40 30 EJEBRN CCCCCCCCCCCCCCNC(=O)[C@H](C)OC(C)=O ZINC000104394548 219384084 /nfs/dbraw/zinc/38/40/84/219384084.db2.gz RHIOEWRDQLPMFZ-KRWDZBQOSA-N 0 0 327.509 4.755 40 30 EJEBRN C=CCOc1cc2c(cc1[C@H](C)c1ccc(OCCC)cc1)OCO2 ZINC000001586958 209763134 /nfs/dbraw/zinc/76/31/34/209763134.db2.gz HKGGVDSNYSWUCQ-OAHLLOKOSA-N 0 0 340.419 4.921 40 30 EJEBRN CCOC(=O)c1ccc(C#Cc2ccc3c(c2)C(=O)CCC3(C)C)cc1 ZINC000033639565 212958332 /nfs/dbraw/zinc/95/83/32/212958332.db2.gz HKLPOHJGESDTSC-UHFFFAOYSA-N 0 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C=CCOc1cccc(NC(=O)[C@@H](CC)Oc2ccc(C)cc2C)c1 ZINC000222959605 563975736 /nfs/dbraw/zinc/97/57/36/563975736.db2.gz JGWCWOBFLTXHTI-LJQANCHMSA-N 0 0 339.435 4.664 40 30 EJEBRN CCCCCCCCCCS(=O)(=O)Nc1cccc(C(C)=O)c1 ZINC000100959442 563982876 /nfs/dbraw/zinc/98/28/76/563982876.db2.gz RPBFBPANFNTKFK-UHFFFAOYSA-N 0 0 339.501 4.772 40 30 EJEBRN O=S(=O)(c1ccccc1)[C@H]1CCCCCCCCCCC1=NO ZINC000100948620 563982884 /nfs/dbraw/zinc/98/28/84/563982884.db2.gz VUVNVXNGNZOYAH-VZCCSQPZSA-N 0 0 337.485 4.574 40 30 EJEBRN O=C(C=CC(=NNc1ccccc1)c1ccccc1)c1ccccc1 ZINC000104133857 563983509 /nfs/dbraw/zinc/98/35/09/563983509.db2.gz FYTQJBOKKJMFPY-NJCOQUAASA-N 0 0 326.399 4.942 40 30 EJEBRN COc1cc(/C=N\c2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000104160509 563983519 /nfs/dbraw/zinc/98/35/19/563983519.db2.gz PYASYLLHLPINAE-JCMHNJIXSA-N 0 0 331.371 4.665 40 30 EJEBRN CCOc1cc(/C=N/c2ccccc2)cc(Br)c1OC ZINC000006959098 563993937 /nfs/dbraw/zinc/99/39/37/563993937.db2.gz AYUSBXLNVVWABP-WOJGMQOQSA-N 0 0 334.213 4.607 40 30 EJEBRN C=CCOc1ccc(NC(=S)N[C@H](C)c2ccc(C)cc2)cc1 ZINC000225470093 563995904 /nfs/dbraw/zinc/99/59/04/563995904.db2.gz YJUWJWOTWOILST-OAHLLOKOSA-N 0 0 326.465 4.607 40 30 EJEBRN C=CCOc1ccc(NC(=S)N[C@H](CC)c2ccc(C)cc2)cc1 ZINC000225485471 563995905 /nfs/dbraw/zinc/99/59/05/563995905.db2.gz MBNLULUMSCLTMG-LJQANCHMSA-N 0 0 340.492 4.998 40 30 EJEBRN O=C1CCCC2=C1[C@@H]([C@@H]1CC=CCC1)Nc1ccc3ncccc3c12 ZINC000000128668 563995940 /nfs/dbraw/zinc/99/59/40/563995940.db2.gz LERPWBLFAPTXOQ-JLCFBVMHSA-N 0 0 330.431 4.892 40 30 EJEBRN C=CCOc1ccc(NC(=S)N[C@@H](C)c2ccc(C)c(C)c2)cc1 ZINC000225708007 563995967 /nfs/dbraw/zinc/99/59/67/563995967.db2.gz LINVQWPQFLJOBT-INIZCTEOSA-N 0 0 340.492 4.916 40 30 EJEBRN N#CC[C@@H](c1ccccc1)[C@H](C#N)c1ccc(Br)cc1 ZINC000000133217 563996097 /nfs/dbraw/zinc/99/60/97/563996097.db2.gz QKWZIKYUZKFVBE-DLBZAZTESA-N 0 0 325.209 4.754 40 30 EJEBRN N#CC[C@H](c1ccccc1)[C@@H](C#N)c1ccc(Br)cc1 ZINC000000133209 563996105 /nfs/dbraw/zinc/99/61/05/563996105.db2.gz 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EJEBRN C/C(=N\NC(=S)Nc1ccc(C)cc1C)c1ccc(Cl)cc1 ZINC000005694394 564032937 /nfs/dbraw/zinc/03/29/37/564032937.db2.gz OTPQMUPNVWBHEM-DEDYPNTBSA-N 0 0 331.872 4.667 40 30 EJEBRN COc1ccc(CN/N=C(\C)c2ccc(C(C)(C)C)cc2)cc1OC ZINC000216055947 564033771 /nfs/dbraw/zinc/03/37/71/564033771.db2.gz PUUAYFRXAIAHGJ-HZHRSRAPSA-N 0 0 340.467 4.515 40 30 EJEBRN CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccc(CC#N)cc1 ZINC000223011836 564038788 /nfs/dbraw/zinc/03/87/88/564038788.db2.gz GTRXABZFZXFRIO-GOSISDBHSA-N 0 0 342.826 4.511 40 30 EJEBRN CC(C)c1ccc2c(c1)C(=NNc1cccc(Cl)c1Cl)C(=O)N2 ZINC000223730619 564040710 /nfs/dbraw/zinc/04/07/10/564040710.db2.gz UQRPUWRAJBKRNP-UHFFFAOYSA-N 0 0 348.233 4.885 40 30 EJEBRN Cc1ccc(Cl)cc1NN=C1c2cc(C(C)C)ccc2NC1=O ZINC000223730138 564040729 /nfs/dbraw/zinc/04/07/29/564040729.db2.gz QUSBQAMYTLJZRP-UHFFFAOYSA-N 0 0 327.815 4.540 40 30 EJEBRN Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2ccc(CC#N)cc2)c1 ZINC000225508195 564047415 /nfs/dbraw/zinc/04/74/15/564047415.db2.gz 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564064472 /nfs/dbraw/zinc/06/44/72/564064472.db2.gz BYJBRCRLFRIREO-IBGZPJMESA-N 0 0 343.552 4.591 40 30 in-vitro EJEBRN CC(=O)Nc1ccc(Nc2cc(C3CC3)nc(NC(C)(C)C)n2)cc1 ZINC000329034814 564071769 /nfs/dbraw/zinc/07/17/69/564071769.db2.gz RAHSDHAAYNEIJK-UHFFFAOYSA-N 0 0 339.443 4.916 40 30 EJEBRN C#CC(OC(=O)NC1CCCCC1)(c1ccccc1)c1ccccc1 ZINC000000001358 564074476 /nfs/dbraw/zinc/07/44/76/564074476.db2.gz NBEALWAVEGMZQY-UHFFFAOYSA-N 0 0 333.431 4.622 40 30 in-man EJEBRN CCCCCCCCCC[NH2+][C@H](CC(=O)c1ccc(C)cc1)C(=O)[O-] ZINC000101672322 564077079 /nfs/dbraw/zinc/07/70/79/564077079.db2.gz FRSKOKFNVBWTKL-LJQANCHMSA-N 0 0 347.499 4.751 40 30 EJEBRN Cc1ccccc1CSc1nc(N)c(C#N)c(C2CCCCC2)n1 ZINC000223662852 564081727 /nfs/dbraw/zinc/08/17/27/564081727.db2.gz BAWGXEDAVDJOJL-UHFFFAOYSA-N 0 0 338.480 4.579 40 30 EJEBRN C=C(C)COc1cccc(C(=O)N2CCC(Cc3ccccc3)CC2)c1 ZINC000219778750 564084173 /nfs/dbraw/zinc/08/41/73/564084173.db2.gz LDOCPVHMCJZMBR-UHFFFAOYSA-N 0 0 349.474 4.736 40 30 EJEBRN 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/nfs/dbraw/zinc/12/76/92/564127692.db2.gz ZAZMUZVGEPDJIJ-YDZHTSKRSA-N 0 0 335.794 4.595 40 30 EJEBRN C=CCOc1cccc(NC(=O)CSc2ccc(Cl)cc2)c1 ZINC000065749561 564128626 /nfs/dbraw/zinc/12/86/26/564128626.db2.gz QZTJQEVYNXMFAB-UHFFFAOYSA-N 0 0 333.840 4.636 40 30 EJEBRN CCN1C(=O)/C(=C\c2ccc(F)cc2)S/C1=N\c1ccc(C)cc1 ZINC000008363000 564129847 /nfs/dbraw/zinc/12/98/47/564129847.db2.gz DVNBTBUZFODDHU-CUNGHOPLSA-N 0 0 340.423 4.758 40 30 EJEBRN Cc1cc(N2CCCC2)c(F)cc1/C=N\c1ccc(Cl)cc1O ZINC000108253030 564130004 /nfs/dbraw/zinc/13/00/04/564130004.db2.gz TWELHZDZSTWEOC-NHDPSOOVSA-N 0 0 332.806 4.844 40 30 EJEBRN N#Cc1c(NC(=O)c2ccc(Cl)c(Cl)c2)sc2c1CCC2 ZINC000000036263 564132709 /nfs/dbraw/zinc/13/27/09/564132709.db2.gz UOSYEEVWBJAFMK-UHFFFAOYSA-N 0 0 337.231 4.668 40 30 EJEBRN Cc1cccc2cc(C#N)c(SCC(=O)c3ccc(F)cc3)nc12 ZINC000000410793 564133174 /nfs/dbraw/zinc/13/31/74/564133174.db2.gz IBELQTLEPCIACK-UHFFFAOYSA-N 0 0 336.391 4.529 40 30 EJEBRN Cc1ccc(C(=O)CSc2nc3ccc(C)cc3cc2C#N)cc1 ZINC000000422247 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CCOc1cccc(/C=N/c2cc(C(F)(F)F)ccc2OC)c1O ZINC000100222682 219095094 /nfs/dbraw/zinc/09/50/94/219095094.db2.gz MFWXTQYLPKLZGC-UFFVCSGVSA-N 0 0 339.313 4.569 40 30 EJEBRN Clc1ccc(/C=N/c2ccc(N3CCOCC3)cc2)c(Cl)c1 ZINC000100249037 219095602 /nfs/dbraw/zinc/09/56/02/219095602.db2.gz SMMMVONQLGGVFK-UDWIEESQSA-N 0 0 335.234 4.581 40 30 EJEBRN N#CC(=NNc1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000004292777 210162838 /nfs/dbraw/zinc/16/28/38/210162838.db2.gz MJEURDDFVXDTCA-JCMHNJIXSA-N 0 0 338.823 4.803 40 30 EJEBRN CC(=NNc1ccccc1)c1nc2c(ccc3ccccc32)nc1C ZINC000004265757 210155979 /nfs/dbraw/zinc/15/59/79/210155979.db2.gz ZPDDRJQHAQAIJQ-BUVRLJJBSA-N 0 0 326.403 4.928 40 30 EJEBRN CN(C(=O)c1ccccc1C1=Cc2ccccc2C1=O)c1ccccc1 ZINC000004266327 210155341 /nfs/dbraw/zinc/15/53/41/210155341.db2.gz PZIJFBSIJDJQAT-UHFFFAOYSA-N 0 0 339.394 4.700 40 30 EJEBRN CCCCCCCCOc1ccc(C=C2SC(=S)NC2=O)cc1 ZINC000102446235 219203514 /nfs/dbraw/zinc/20/35/14/219203514.db2.gz AHKJWXZAVWNLNJ-DTQAZKPQSA-N 0 0 349.521 4.915 40 30 EJEBRN C=CCCCCCCCCCCCCCC[C@@H](O)C[C@H](O)CO ZINC000067911790 215248991 /nfs/dbraw/zinc/24/89/91/215248991.db2.gz QVLYXPULBWQTJW-UXHICEINSA-N 0 0 328.537 4.738 40 30 biogenic,in-vitro EJEBRN C=CCCCCCCCCCCCCCC[C@@H](O)C[C@@H](O)CO ZINC000067911795 215249087 /nfs/dbraw/zinc/24/90/87/215249087.db2.gz QVLYXPULBWQTJW-WOJBJXKFSA-N 0 0 328.537 4.738 40 30 biogenic,in-vitro EJEBRN S=C1N=NC(C2CCCCC2)N1N=CC(Cl)=Cc1ccccc1 ZINC000002340723 209840893 /nfs/dbraw/zinc/84/08/93/209840893.db2.gz URVLMQHGANREAC-HZCNULMQSA-N 0 0 346.887 4.728 40 30 EJEBRN N#Cc1ccccc1CSc1nnc(-c2cccc(Cl)c2)o1 ZINC000019423085 202006564 /nfs/dbraw/zinc/00/65/64/202006564.db2.gz YOHLFKYSMWNNFE-UHFFFAOYSA-N 0 0 327.796 4.554 40 30 EJEBRN O=C1C=C(c2ccc(Br)cc2)C[C@H](c2ccccc2)C1 ZINC000001469185 209752887 /nfs/dbraw/zinc/75/28/87/209752887.db2.gz KQFNBFDHOBXGFI-HNNXBMFYSA-N 0 0 327.221 4.979 40 30 EJEBRN C=C[C@@H]1OC[C@@]2(COC(=O)Nc3ccccc3)[C@H](C)C=C(C)[C@@H]1[C@H]2C ZINC000038549606 213215105 /nfs/dbraw/zinc/21/51/05/213215105.db2.gz HQCWLYGJDWRLIV-PNLWMVSSSA-N 0 0 341.451 4.655 40 30 EJEBRN COC(=O)/C=C(C)\C=C\C=C(C)\C=C\C1=C(C)C(=O)CCC1(C)C ZINC000022061782 202078930 /nfs/dbraw/zinc/07/89/30/202078930.db2.gz VTSFDGSDUILKPM-ZTXQEUQPSA-N 0 0 328.452 4.870 40 30 in-vitro EJEBRN CC/C(=N/NC(=S)Nc1ccc(C)c(C)c1)c1ccc(F)cc1 ZINC000035203335 213014411 /nfs/dbraw/zinc/01/44/11/213014411.db2.gz GSZGZDFNGWROSM-FXBPSFAMSA-N 0 0 329.444 4.543 40 30 EJEBRN COc1ccc(OC)c(/C=C/C(=O)c2cc(Cl)ccc2Cl)c1 ZINC000071976953 215986833 /nfs/dbraw/zinc/98/68/33/215986833.db2.gz WZIGEIHRLNUULB-XVNBXDOJSA-N 0 0 337.202 4.907 40 30 EJEBRN O=C1/C(=C\c2cccs2)C[C@@H]2C[C@H]1C/C(=C/c1cccs1)C2=O ZINC000032612014 212819206 /nfs/dbraw/zinc/81/92/06/212819206.db2.gz BPNRNVSTFMGATC-MZDJNKSPSA-N 0 0 340.469 4.845 40 30 EJEBRN Cc1ccccc1C(=O)Nc1ccc2sc(N=NC(C)C)nc2c1 ZINC000072229717 216070859 /nfs/dbraw/zinc/07/08/59/216070859.db2.gz XBLPUQIWGLZZKB-UHFFFAOYSA-N 0 0 338.436 4.665 40 30 EJEBRN CCC(C)N=Nc1nc2cc(NC(=O)c3ccccc3)ccc2s1 ZINC000072229715 216070945 /nfs/dbraw/zinc/07/09/45/216070945.db2.gz WJQRUNXZGGBHOM-MTJSOVHGSA-N 0 0 338.436 4.746 40 30 EJEBRN CCC(C)N=Nc1nc2ccc(NC(=O)c3ccccc3)cc2s1 ZINC000072229726 216071272 /nfs/dbraw/zinc/07/12/72/216071272.db2.gz HASWIIULVPSZEA-MTJSOVHGSA-N 0 0 338.436 4.746 40 30 EJEBRN C#CCOC(=O)c1ccc(-c2cc(Cl)c(Cl)cc2Cl)o1 ZINC000226244423 201037153 /nfs/dbraw/zinc/03/71/53/201037153.db2.gz BRPVWSWTXZIGSN-UHFFFAOYSA-N 0 0 329.566 4.697 40 30 EJEBRN C=CCOC(=O)c1cccc(OCc2ccc(Cl)c(Cl)c2)c1 ZINC000216849945 241214464 /nfs/dbraw/zinc/21/44/64/241214464.db2.gz GVDASPMSDDRVAU-UHFFFAOYSA-N 0 0 337.202 4.915 40 30 EJEBRN C=CCOC(=O)c1ccc(OC)c(OCc2cccc3ccccc32)c1 ZINC000216850229 241214919 /nfs/dbraw/zinc/21/49/19/241214919.db2.gz IGHRCRAWECANEF-UHFFFAOYSA-N 0 0 348.398 4.770 40 30 EJEBRN C#CCOC(=O)/C=C/c1ccc(OCc2cccc3ccccc32)cc1 ZINC000216887848 241218051 /nfs/dbraw/zinc/21/80/51/241218051.db2.gz WPARERXLFKFHFE-NTCAYCPXSA-N 0 0 342.394 4.608 40 30 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344.252 4.690 40 30 EJEBRN CCCCCCCCCCCCOC(=O)[C@@H](N)Cc1ccc(O)cc1 ZINC000104206661 563983527 /nfs/dbraw/zinc/98/35/27/563983527.db2.gz OUXAYARXDJUWFD-FQEVSTJZSA-N 0 0 349.515 4.726 40 30 EJEBRN COc1ccc([C@H]2C(=O)c3ccccc3/C2=N/c2ccccc2)cc1 ZINC000105435795 563983790 /nfs/dbraw/zinc/98/37/90/563983790.db2.gz NGUAYWNKFJKPRH-DDYOIZNJSA-N 0 0 327.383 4.796 40 30 EJEBRN C[C@]12CC[C@H]3[C@@H](CC=C4CC5(CC[C@@]43C)OCCO5)[C@@H]1CC[C@@H]2C=O ZINC000043759766 563986363 /nfs/dbraw/zinc/98/63/63/563986363.db2.gz SHBDEYQGGFCLQI-RDWCLUPISA-N 0 0 344.495 4.507 40 30 EJEBRN C=CCn1c(=S)[nH]nc1CSCc1ccc(Cl)c(Cl)c1 ZINC000005817013 563991787 /nfs/dbraw/zinc/99/17/87/563991787.db2.gz MDBDWYRAOBOBDN-UHFFFAOYSA-N 0 0 346.308 4.867 40 30 EJEBRN CCOc1c(Br)cc(/C=N/c2ccccc2C)cc1OC ZINC000006957990 563993871 /nfs/dbraw/zinc/99/38/71/563993871.db2.gz ZZQIPSSQHWEULO-YBFXNURJSA-N 0 0 348.240 4.915 40 30 EJEBRN C=CCOc1ccc(NC(=S)N[C@@H](C)c2ccc(C)cc2)cc1 ZINC000225470056 563995913 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ZINC000408852321 564007560 /nfs/dbraw/zinc/00/75/60/564007560.db2.gz SKUZVASDKNYDOU-CFRMEGHHSA-N 0 0 349.409 4.863 40 30 EJEBRN Clc1ccc(/C=N\c2ccccc2I)s1 ZINC000408965194 564008385 /nfs/dbraw/zinc/00/83/85/564008385.db2.gz HEQCWORCVAVKAJ-AUWJEWJLSA-N 0 0 347.608 4.757 40 30 EJEBRN Cc1cc(C)cc(N=C2NC(=O)/C(=C/c3ccc(Cl)s3)S2)c1 ZINC000408965201 564008401 /nfs/dbraw/zinc/00/84/01/564008401.db2.gz HGKSFTSLMWAYKO-JYRVWZFOSA-N 0 0 348.880 4.910 40 30 EJEBRN CCOc1ccc(Cl)cc1/C=N/c1cccc(C(=O)OC)c1C ZINC000409085687 564009576 /nfs/dbraw/zinc/00/95/76/564009576.db2.gz FLTIDWBTTCWNDG-RGVLZGJSSA-N 0 0 331.799 4.584 40 30 EJEBRN CCc1ccc(/N=C/c2cc(OC)c(N3CCCC3)cc2OC)cc1 ZINC000409097311 564009871 /nfs/dbraw/zinc/00/98/71/564009871.db2.gz GGTKFDAXJSXVCN-PXLXIMEGSA-N 0 0 338.451 4.617 40 30 EJEBRN CCc1ccc(C(=O)C=CNc2cccc(Br)c2)cc1 ZINC000409097442 564009882 /nfs/dbraw/zinc/00/98/82/564009882.db2.gz GRLDHHFFAHAHFU-ZHACJKMWSA-N 0 0 330.225 4.820 40 30 EJEBRN C=CCN1C(=O)S/C(=C\c2cn(CC(C)C)c3ccccc23)C1=O 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COc1cc(/C=N/c2cccc(C)c2C)cc(Br)c1OC ZINC000409214439 564011153 /nfs/dbraw/zinc/01/11/53/564011153.db2.gz TUVGLIZBIMYBLW-VXLYETTFSA-N 0 0 348.240 4.834 40 30 EJEBRN COc1cc(N2CCCCC2)ccc1/C=N\c1ccc(Cl)cc1O ZINC000409245313 564011295 /nfs/dbraw/zinc/01/12/95/564011295.db2.gz QSFPYMQUQOBJRA-BKUYFWCQSA-N 0 0 344.842 4.795 40 30 EJEBRN O=c1c2ccccc2nc(C2CCCCC2)n1N=C/C=C/c1ccco1 ZINC000409279848 564011484 /nfs/dbraw/zinc/01/14/84/564011484.db2.gz KCHINPDPUQEFIH-UCLFZWFPSA-N 0 0 347.418 4.585 40 30 EJEBRN Cc1ccccc1C=Nn1c(=O)c2ccccc2nc1C1CCCCC1 ZINC000409304600 564011679 /nfs/dbraw/zinc/01/16/79/564011679.db2.gz KHPLUIDUBZCQON-UHFFFAOYSA-N 0 0 345.446 4.635 40 30 EJEBRN CCN(CC)c1ccc(C=C2CCC(C(=O)C(F)(F)F)=C2O)cc1 ZINC000409359511 564011865 /nfs/dbraw/zinc/01/18/65/564011865.db2.gz ORKIVXOAIYACHZ-DRLKJCQWSA-N 0 0 339.357 4.654 40 30 EJEBRN COC(=O)c1ccc(-c2ccc(/C=C3\Cc4ccccc4C3=O)o2)cc1 ZINC000409372129 564011908 /nfs/dbraw/zinc/01/19/08/564011908.db2.gz LOGHHHYBNJHYOR-GHRIWEEISA-N 0 0 344.366 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CCOc1cc(/C=N/c2ccc(C)cc2)cc(Br)c1O ZINC000006958602 564126351 /nfs/dbraw/zinc/12/63/51/564126351.db2.gz PEIZBOUGSQMVMQ-VCHYOVAHSA-N 0 0 334.213 4.612 40 30 EJEBRN C#CCOc1ccc(/C=N/c2ccc(C)cc2C)cc1Br ZINC000008368619 564127329 /nfs/dbraw/zinc/12/73/29/564127329.db2.gz RVYUMQGKXJPTFE-UDWIEESQSA-N 0 0 342.236 4.829 40 30 EJEBRN Cc1ccc2[nH]c(-c3ccc(OCc4ccccc4C#N)cc3)nc2c1 ZINC000096136798 564128678 /nfs/dbraw/zinc/12/86/78/564128678.db2.gz JHJLSUXPEFCQMW-UHFFFAOYSA-N 0 0 339.398 4.989 40 30 EJEBRN Cc1cc(C)c2cc(C#N)c(SCC(=O)c3ccccc3)nc2c1 ZINC000000412231 564133218 /nfs/dbraw/zinc/13/32/18/564133218.db2.gz UAUNWXHLMTVXSC-UHFFFAOYSA-N 0 0 332.428 4.698 40 30 EJEBRN FC1(F)C(F)(F)[C@](F)(Cl)[C@@](F)(Cl)C(F)(F)[C@]1(F)Cl ZINC000109131652 564133511 /nfs/dbraw/zinc/13/35/11/564133511.db2.gz NOLOAYRMLAKXDE-XZIMBLGRSA-N 0 0 349.407 4.620 40 30 EJEBRN CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)[C@H](C)C[C@]4(C)[C@H]3CC[C@]12C ZINC000004691929 210249490 /nfs/dbraw/zinc/24/94/90/210249490.db2.gz 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/nfs/dbraw/zinc/98/34/02/201983402.db2.gz FDKOFVHBKOYMAB-UHFFFAOYSA-N 0 0 343.774 4.822 40 30 EJEBRN COc1cccc(/C=N\c2nc(-c3ccccc3Cl)cs2)c1O ZINC000017128831 201986518 /nfs/dbraw/zinc/98/65/18/201986518.db2.gz CGVOIROFGCICEB-OCKHKDLRSA-N 0 0 344.823 4.928 40 30 EJEBRN CCOc1ccc(/N=C/c2ccc(OC)c(Br)c2)cc1 ZINC000103933832 219330529 /nfs/dbraw/zinc/33/05/29/219330529.db2.gz HSNUTISTFKDIMD-WOJGMQOQSA-N 0 0 334.213 4.607 40 30 EJEBRN C#Cc1cccc(/N=C\c2cc(Cl)cc(Br)c2[O-])c1 ZINC000104223727 219361481 /nfs/dbraw/zinc/36/14/81/219361481.db2.gz OABJBZPYRGPIPZ-NVMNQCDNSA-N 0 0 334.600 4.540 40 30 EJEBRN O=C(Cc1nc2ccc(Cl)cc2[nH]c1=O)c1cccc2ccccc21 ZINC000104238746 219364485 /nfs/dbraw/zinc/36/44/85/219364485.db2.gz HMQHMUNOXCYSCR-WQRHYEAKSA-N 0 0 348.789 4.624 40 30 EJEBRN Cc1ccc(S(=O)(=O)O[C@H]2CCCCC[C@@H]2c2ccccc2)cc1 ZINC000001715757 209784518 /nfs/dbraw/zinc/78/45/18/209784518.db2.gz HEMYTSVHMYKVRD-UXHICEINSA-N 0 0 344.476 4.817 40 30 EJEBRN CN1C/C(=C\C=C\c2ccccc2)C(=O)/C(=C\C=C/c2ccccc2)C1 ZINC000031841020 212751737 /nfs/dbraw/zinc/75/17/37/212751737.db2.gz UZMNXCUMVFUXQA-BNYHAQNJSA-N 0 0 341.454 4.781 40 30 EJEBRN COc1ccc2c(C)cc(NN=Cc3ccnc4ccccc34)nc2c1 ZINC000031769286 212746353 /nfs/dbraw/zinc/74/63/53/212746353.db2.gz BHCGCTZWUIXMKF-QRVIBDJDSA-N 0 0 342.402 4.546 40 30 EJEBRN CCCCCCCCCCCCNC(=O)NCC(OCC)OCC ZINC000073257922 216370801 /nfs/dbraw/zinc/37/08/01/216370801.db2.gz QACMUCLEWICCOW-UHFFFAOYSA-N 0 0 344.540 4.606 40 30 EJEBRN C=CCOC(=O)c1ccc2nc(-c3cccc(Cl)c3)sc2c1 ZINC000073635144 216403805 /nfs/dbraw/zinc/40/38/05/216403805.db2.gz BAGDWFGRJVGGFL-UHFFFAOYSA-N 0 0 329.808 4.960 40 30 EJEBRN C=CCOC(=O)c1ccc2[nH]c(-c3ccc4ccccc4c3)nc2c1 ZINC000216728239 241206139 /nfs/dbraw/zinc/20/61/39/241206139.db2.gz NPCHJYNQUUAIFC-UHFFFAOYSA-N 0 0 328.371 4.726 40 30 EJEBRN C=CCOC(=O)c1ccc(-c2ccc(Br)c(Cl)c2)o1 ZINC000216769717 241211397 /nfs/dbraw/zinc/21/13/97/241211397.db2.gz ACEIPNSVIUVKOZ-UHFFFAOYSA-N 0 0 341.588 4.705 40 30 EJEBRN C=CCOC(=O)c1cc(Cl)c(OCc2ccccc2)c(Cl)c1 ZINC000216847529 241214584 /nfs/dbraw/zinc/21/45/84/241214584.db2.gz DIOQSVPLFNTXCJ-UHFFFAOYSA-N 0 0 337.202 4.915 40 30 EJEBRN c1ccc(COc2cc(OCc3ccccc3)cc([C@@H]3CO3)c2)cc1 ZINC000022052428 212273960 /nfs/dbraw/zinc/27/39/60/212273960.db2.gz IXYYQIMVOHFSDN-QFIPXVFZSA-N 0 0 332.399 4.916 40 30 in-vitro EJEBRN C=CCOc1cccc(NC(=O)c2ccc(OCC)c(Cl)c2)c1 ZINC000225316983 241823302 /nfs/dbraw/zinc/82/33/02/241823302.db2.gz DDOGBDFWGQHYRI-UHFFFAOYSA-N 0 0 331.799 4.556 40 30 EJEBRN C=CCOc1cccc(NC(=S)N[C@H](CC)c2ccc(C)cc2)c1 ZINC000225485555 241893011 /nfs/dbraw/zinc/89/30/11/241893011.db2.gz KKWMZLQLWMRJQR-LJQANCHMSA-N 0 0 340.492 4.998 40 30 EJEBRN C=CCOc1ccc(NC(=S)N[C@H](C)c2ccc(C)c(C)c2)cc1 ZINC000225708038 241997350 /nfs/dbraw/zinc/99/73/50/241997350.db2.gz LINVQWPQFLJOBT-MRXNPFEDSA-N 0 0 340.492 4.916 40 30 EJEBRN CCCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OC(C)C)cc1C#N ZINC000225841199 242058442 /nfs/dbraw/zinc/05/84/42/242058442.db2.gz SLHWMUXWXLCRSV-FQEVSTJZSA-N 0 0 346.471 4.515 40 30 EJEBRN CCCO[C@@](C)(CCC)C(=O)Nc1ccc(OCC(C)C)c(C#N)c1 ZINC000225842667 242058603 /nfs/dbraw/zinc/05/86/03/242058603.db2.gz GVGXUALOEQRMRV-FQEVSTJZSA-N 0 0 346.471 4.517 40 30 EJEBRN N#Cc1c(N)n(Cc2cccc3ccccc32)nc1C1CCCCC1 ZINC000225848572 242060577 /nfs/dbraw/zinc/06/05/77/242060577.db2.gz MFGYROJYFFBENS-UHFFFAOYSA-N 0 0 330.435 4.586 40 30 EJEBRN Cc1ccccc1Cn1c(C#N)cc(N)c1Cc1cccc(Cl)c1 ZINC000225855787 242063308 /nfs/dbraw/zinc/06/33/08/242063308.db2.gz AASDCENVJIFZPG-UHFFFAOYSA-N 0 0 335.838 4.543 40 30 EJEBRN Cc1ccccc1Cn1c(C#N)cc(N)c1Oc1cccc(Cl)c1 ZINC000225881835 242069702 /nfs/dbraw/zinc/06/97/02/242069702.db2.gz RWRSXBGOIQJMIL-UHFFFAOYSA-N 0 0 337.810 4.744 40 30 EJEBRN C=CCOc1ccc(NC(=O)C2(C)CCCC2)cc1C(F)(F)F ZINC000225954828 242081741 /nfs/dbraw/zinc/08/17/41/242081741.db2.gz ZCAUEAGGKCIHRL-UHFFFAOYSA-N 0 0 327.346 4.789 40 30 EJEBRN COc1c(Cl)cc(Cl)cc1C(=O)n1cc(C#N)c2ccccc21 ZINC000226361546 242101352 /nfs/dbraw/zinc/10/13/52/242101352.db2.gz IYHOQVNATQWJKA-UHFFFAOYSA-N 0 0 345.185 4.517 40 30 EJEBRN C=CCOC(=O)/C=C/c1ccc(-c2ccc(C)cc2Br)o1 ZINC000226256613 242092745 /nfs/dbraw/zinc/09/27/45/242092745.db2.gz ZZIMZYSTUCKJPT-RMKNXTFCSA-N 0 0 347.208 4.760 40 30 EJEBRN CCC(C)N=Nc1nc2c(s1)c(NC(=O)c1ccco1)ccc2C ZINC000072229703 203184603 /nfs/dbraw/zinc/18/46/03/203184603.db2.gz AWELURCZHBTCJU-RGVLZGJSSA-N 0 0 342.424 4.648 40 30 EJEBRN COc1ccc(/C=N\N=C2c3ccccc3-c3ccccc32)cc1OC ZINC000016921090 211940823 /nfs/dbraw/zinc/94/08/23/211940823.db2.gz PKYBRJZWVUWFCJ-UCQKPKSFSA-N 0 0 342.398 4.556 40 30 EJEBRN C=CCOc1cccc(NC(=S)N[C@H](C)c2ccc(C)c(C)c2)c1 ZINC000225708108 205095451 /nfs/dbraw/zinc/09/54/51/205095451.db2.gz LFQDIOHWBKRZEN-MRXNPFEDSA-N 0 0 340.492 4.916 40 30 EJEBRN Cc1cc(/C=N/Cc2ccccc2)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000100116893 206220123 /nfs/dbraw/zinc/22/01/23/206220123.db2.gz OEFAZBFOWIOWRO-KGENOOAVSA-N 0 0 333.391 4.621 40 30 EJEBRN CCCCCCCCCCCC(=O)N[C@H](O)C(Cl)(Cl)Cl ZINC000100498115 206244420 /nfs/dbraw/zinc/24/44/20/206244420.db2.gz BJYSIXLXMKLCCR-CYBMUJFWSA-N 0 0 346.726 4.712 40 30 EJEBRN CC(C)Oc1ccc(/C=N/NCc2c(Cl)cccc2Cl)cc1 ZINC000009196911 211052273 /nfs/dbraw/zinc/05/22/73/211052273.db2.gz LMWICVQTHWKLRY-KEBDBYFISA-N 0 0 337.250 4.904 40 30 EJEBRN Cc1[nH]c2ccccc2c1/C=N/NCc1c(Cl)cccc1Cl ZINC000009195969 211052070 /nfs/dbraw/zinc/05/20/70/211052070.db2.gz YJPPQGIMRFJMFJ-AWQFTUOYSA-N 0 0 332.234 4.907 40 30 EJEBRN Cn1c2ccccc2s/c1=N/N=C1/C=C2CCCC[C@@]2(C)CC1 ZINC000005551179 210486179 /nfs/dbraw/zinc/48/61/79/210486179.db2.gz IUZHEHZKBGVLLY-PLKZMIJWSA-N 0 0 325.481 4.797 40 30 EJEBRN C=C1C(C)(C)[C@H]2CC[C@]1(C(=O)Nc1c(C)cc(C)cc1[N+](=O)[O-])C2 ZINC000005013990 210361620 /nfs/dbraw/zinc/36/16/20/210361620.db2.gz FVARSWRSCSCKGL-LIRRHRJNSA-N 0 0 328.412 4.533 40 30 EJEBRN CC(C)(C)c1ccc(-c2nnc(SCC#N)n2-c2ccccc2)cc1 ZINC000004959814 210340096 /nfs/dbraw/zinc/34/00/96/210340096.db2.gz FSXZIJKRGOPSFB-UHFFFAOYSA-N 0 0 348.475 4.847 40 30 EJEBRN CCC(=O)O[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@]2(C)C1 ZINC000118913445 221202801 /nfs/dbraw/zinc/20/28/01/221202801.db2.gz SEFNHDCTTLMQJR-HZEQZJDJSA-N 0 0 342.479 4.616 40 30 EJEBRN C=CC[C@@]1(O)CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000118915056 221203042 /nfs/dbraw/zinc/20/30/42/221203042.db2.gz BQXKIYVBCVCFAZ-WQPKYIKBSA-N 0 0 332.528 4.697 40 30 EJEBRN CC(=O)O[C@H]1CC[C@H]2[C@@H]3[C@@H](C)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118923410 221204329 /nfs/dbraw/zinc/20/43/29/221204329.db2.gz SFECWQWNBHMGCT-JLHMXPNPSA-N 0 0 344.495 4.696 40 30 EJEBRN CC#C[C@]1(O)CC[C@H]2[C@@H]3C[C@@H](C)[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000118932933 221205068 /nfs/dbraw/zinc/20/50/68/221205068.db2.gz YYUZCVKFYYSLNG-LHGBJJBYSA-N 0 0 342.523 4.599 40 30 EJEBRN CC#C[C@]1(O)CC[C@H]2[C@@H]3C[C@H](C)[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000118932931 221205192 /nfs/dbraw/zinc/20/51/92/221205192.db2.gz YYUZCVKFYYSLNG-ZZNDGULVSA-N 0 0 342.523 4.599 40 30 EJEBRN CCCCCCCCCCCCNC(=O)C(=O)Nc1ccccc1C ZINC000105453353 257868012 /nfs/dbraw/zinc/86/80/12/257868012.db2.gz RITGMDMYCKSAFG-UHFFFAOYSA-N 0 0 346.515 4.971 40 30 EJEBRN C#CCOc1c(Cl)cc(CNc2ccc(F)cc2)cc1OCC ZINC000409205324 257874756 /nfs/dbraw/zinc/87/47/56/257874756.db2.gz HCJSHFTWTXDHME-UHFFFAOYSA-N 0 0 333.790 4.502 40 30 EJEBRN C#CCOc1c(Cl)cc(/C=N/c2cccc(C)c2C)cc1OC ZINC000409202974 257874796 /nfs/dbraw/zinc/87/47/96/257874796.db2.gz UPASXTFCPAHDHR-CIAFOILYSA-N 0 0 327.811 4.728 40 30 EJEBRN C[C@@H]1CCCC(=CNc2ccc(Br)cc2Cl)C1=O ZINC000409179574 257875694 /nfs/dbraw/zinc/87/56/94/257875694.db2.gz RKPJJOMCXSXXCS-URLRMUCDSA-N 0 0 328.637 4.787 40 30 EJEBRN C=CCOc1ccc(Br)cc1CNc1ccc(OC)cc1 ZINC000409120930 257878330 /nfs/dbraw/zinc/87/83/30/257878330.db2.gz XFCXSDXLGQOJGF-UHFFFAOYSA-N 0 0 348.240 4.635 40 30 EJEBRN Cc1c(/C=N\c2cccc(Br)c2)c2ccccc2n1C ZINC000408853005 257887379 /nfs/dbraw/zinc/88/73/79/257887379.db2.gz OZBKQLDJDHUDJW-ODLFYWEKSA-N 0 0 327.225 5.000 40 30 EJEBRN CCOc1cc(C)c(C=C2C(=O)c3ccccc3C2=O)cc1C(C)C ZINC000408848604 257887495 /nfs/dbraw/zinc/88/74/95/257887495.db2.gz RVZMIHXXTFOAMF-UHFFFAOYSA-N 0 0 334.415 4.980 40 30 EJEBRN COC(=O)c1cccc(/N=C\c2cccn2-c2ccc(Cl)cc2)c1 ZINC000408852592 257887575 /nfs/dbraw/zinc/88/75/75/257887575.db2.gz UQKTUNRDJGSDQE-BKUYFWCQSA-N 0 0 338.794 4.668 40 30 EJEBRN Cc1ccc(N(C)/N=C2/C=C(c3ccc4ccccc4c3)OC2=O)cc1 ZINC000408723907 257890808 /nfs/dbraw/zinc/89/08/08/257890808.db2.gz ADPHPKXLPXAVOO-ATJXCDBQSA-N 0 0 342.398 4.538 40 30 EJEBRN COC(=O)c1cccc(-c2ccc(/C=C/C(=O)c3ccc(C)cc3)o2)c1 ZINC000408691800 257892873 /nfs/dbraw/zinc/89/28/73/257892873.db2.gz QOLQBLWAWOYIPH-ZRDIBKRKSA-N 0 0 346.382 4.938 40 30 EJEBRN CCOC(=O)c1ccc(NC=C2C[C@@H](C(C)(C)CC)CCC2=O)cc1 ZINC000408563956 257896882 /nfs/dbraw/zinc/89/68/82/257896882.db2.gz SSESWQUFMBNXOP-ZQHZRZASSA-N 0 0 343.467 4.965 40 30 EJEBRN COc1ccc(C(=O)O/N=C(/C)c2ccc3c4c(cccc42)CC3)cc1 ZINC000059520222 257849518 /nfs/dbraw/zinc/84/95/18/257849518.db2.gz XMYWIESPSUWIKZ-UCQKPKSFSA-N 0 0 345.398 4.528 40 30 EJEBRN C=CCn1c(-c2ccccc2)nn(CNc2ccc(C)cc2)c1=S ZINC000059484583 257850193 /nfs/dbraw/zinc/85/01/93/257850193.db2.gz FKKUCIOSUTZEHK-UHFFFAOYSA-N 0 0 336.464 4.645 40 30 EJEBRN C=CCc1cc(C(=O)Nc2ccc(C(F)(F)F)cc2)ccc1OC ZINC000014398178 257858399 /nfs/dbraw/zinc/85/83/99/257858399.db2.gz RXBVQWIPLGPQDH-UHFFFAOYSA-N 0 0 335.325 4.695 40 30 EJEBRN C=CCn1c(SCc2ccc(F)cc2)nnc1-c1ccccc1C ZINC000008321454 257863246 /nfs/dbraw/zinc/86/32/46/257863246.db2.gz SJGAGCQUTPQGCA-UHFFFAOYSA-N 0 0 339.439 4.871 40 30 EJEBRN FC(F)Sc1ccc(NC(=S)N/N=C/[C@@H]2CC=CCC2)cc1 ZINC000007783916 258053167 /nfs/dbraw/zinc/05/31/67/258053167.db2.gz BAQCUJGBUTUIAL-VDCVXVNISA-N 0 0 341.452 4.630 40 30 EJEBRN CC(=O)O[C@H]1CC[C@@H]2[C@H]3CCC4=C/C(=N/O)CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000257346455 258073695 /nfs/dbraw/zinc/07/36/95/258073695.db2.gz HMPWCNANWMGWIQ-GIOXHAKZSA-N 0 0 345.483 4.711 40 30 EJEBRN CS/C(=N\C#N)S/C=C/C(=O)c1ccc(Cl)c(Cl)c1 ZINC000005515277 563536061 /nfs/dbraw/zinc/53/60/61/563536061.db2.gz VCHUENKJBPAFCS-PIBYZNJNSA-N 0 0 331.249 4.623 40 30 EJEBRN CCOc1ccc(Cl)cc1C=NN=c1[nH]c2ccccc2s1 ZINC000409218938 262505198 /nfs/dbraw/zinc/50/51/98/262505198.db2.gz LTOZIRYZMBHYFT-VCHYOVAHSA-N 0 0 331.828 4.794 40 30 EJEBRN C=CCc1ccccc1OCc1ccc(C(=O)Nc2cccc(C)n2)o1 ZINC000027983933 519146422 /nfs/dbraw/zinc/14/64/22/519146422.db2.gz AWKBTJXDBBRQRW-UHFFFAOYSA-N 0 0 348.402 4.543 40 30 EJEBRN C=CCc1cc(C(=O)N[C@@H](CC)c2ccc(C)cc2C)ccc1OC ZINC000218659198 534411790 /nfs/dbraw/zinc/41/17/90/534411790.db2.gz BBOTZQBIMHBGDM-FQEVSTJZSA-N 0 0 337.463 4.922 40 30 EJEBRN CC=C(C(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C)C(=O)c1ccccc1 ZINC000003846402 519300670 /nfs/dbraw/zinc/30/06/70/519300670.db2.gz DSDGITVLZKIPAY-QXCFHYIPSA-N 0 0 328.452 4.676 40 30 EJEBRN CC(C)[C@@H]1/C(=N/O)C[C@@H](c2ccccc2)N(N=O)[C@H]1c1ccccc1 ZINC000005733595 519801740 /nfs/dbraw/zinc/80/17/40/519801740.db2.gz OBTBUXZQFKXPLD-GBVBFFTMSA-N 0 0 337.423 4.959 40 30 EJEBRN CCCCCCCCCCCCNC(=O)CSc1nccn1C ZINC000100944058 520010436 /nfs/dbraw/zinc/01/04/36/520010436.db2.gz BTUAKHRGHKGLHP-UHFFFAOYSA-N 0 0 339.549 4.549 40 30 EJEBRN CCCCCCCCCCCCNC(=O)CSc1ncccn1 ZINC000100944056 520010603 /nfs/dbraw/zinc/01/06/03/520010603.db2.gz SLBLCYNXWCXHBD-UHFFFAOYSA-N 0 0 337.533 4.606 40 30 EJEBRN CCOP(=O)(OCC)O/N=C(/C)c1cccc(C(F)(F)F)c1 ZINC000005575814 520243020 /nfs/dbraw/zinc/24/30/20/520243020.db2.gz UPGPYZOHZGLGBT-YVLHZVERSA-N 0 0 339.250 4.627 40 30 EJEBRN CCOP(=O)(OCC)O/N=C(\C)c1cccc(C(F)(F)F)c1 ZINC000004963911 520243195 /nfs/dbraw/zinc/24/31/95/520243195.db2.gz UPGPYZOHZGLGBT-LICLKQGHSA-N 0 0 339.250 4.627 40 30 EJEBRN O=C(C=CC(=NNc1ccccc1)c1ccccc1)c1ccccc1 ZINC000017720414 527592108 /nfs/dbraw/zinc/59/21/08/527592108.db2.gz FYTQJBOKKJMFPY-RMQXSIKLSA-N 0 0 326.399 4.942 40 30 EJEBRN CCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OC(C)C)cc1C#N ZINC000225846679 534958286 /nfs/dbraw/zinc/95/82/86/534958286.db2.gz JHWGBLYFPJABES-HXUWFJFHSA-N 0 0 346.471 4.659 40 30 EJEBRN CCCCC[C@@](C)(OC)C(=O)Nc1ccc(OCCCC)c(C#N)c1 ZINC000225802603 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CCOc1ccc(-c2ccc(/C=N/OCc3ccccc3C#N)o2)cc1 ZINC000408595761 563494390 /nfs/dbraw/zinc/49/43/90/563494390.db2.gz NSBVORKAHTYQRE-OEAKJJBVSA-N 0 0 346.386 4.768 40 30 EJEBRN CC[C@H](C)Oc1ccccc1C=NN=c1[nH]c2ccccc2s1 ZINC000408604262 563496722 /nfs/dbraw/zinc/49/67/22/563496722.db2.gz UPCUIQBHXXYCOB-HCZVKUGISA-N 0 0 325.437 4.920 40 30 EJEBRN C=CCOc1ccc(C(=O)Nc2c(C)cccc2CC)cc1OCC ZINC000408618893 563499067 /nfs/dbraw/zinc/49/90/67/563499067.db2.gz HVWYGGJXWPVTAO-UHFFFAOYSA-N 0 0 339.435 4.773 40 30 EJEBRN Cc1cc(=NN=C(c2ccccc2)c2ccccn2)[nH]c2ccccc12 ZINC000005392978 563530584 /nfs/dbraw/zinc/53/05/84/563530584.db2.gz BJDHTGKLKCROGB-ROMGYVFFSA-N 0 0 338.414 4.803 40 30 EJEBRN CCO[C@@H]1Oc2ccc(C)cc2C(=O)C1=CNc1ccc(Cl)cc1 ZINC000005474882 563533962 /nfs/dbraw/zinc/53/39/62/563533962.db2.gz VNEVZSAONQVOIM-JVCXIRSZSA-N 0 0 343.810 4.582 40 30 EJEBRN CCc1ccc(/C=C2\S/C(=N\c3cc(C)ccc3C)NC2=O)cc1 ZINC000005551592 563538848 /nfs/dbraw/zinc/53/88/48/563538848.db2.gz NPCWARXZQSPZPU-PDGQHHTCSA-N 0 0 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ZINC000408763103 564006247 /nfs/dbraw/zinc/00/62/47/564006247.db2.gz HLPKXJYNHJHRMX-UCQKPKSFSA-N 0 0 346.430 4.940 40 30 EJEBRN CCOc1ccc(C=NNc2ccnc3cc(Cl)ccc32)cc1 ZINC000006246855 564006361 /nfs/dbraw/zinc/00/63/61/564006361.db2.gz WPTJYRWZSKTXKD-CIAFOILYSA-N 0 0 325.799 4.733 40 30 EJEBRN Cc1ccc(C)c(NC(=S)N/N=C/C2=CC[C@H]3C[C@@H]2C3(C)C)c1 ZINC000008025576 564006954 /nfs/dbraw/zinc/00/69/54/564006954.db2.gz YSAWMXPHSGLCDZ-KJJXXWTESA-N 0 0 327.497 4.568 40 30 EJEBRN Fc1ccccc1/N=C\c1cc(Br)c(N2CCCC2)o1 ZINC000408812007 564007344 /nfs/dbraw/zinc/00/73/44/564007344.db2.gz NHCMESUEESBIRT-ZDLGFXPLSA-N 0 0 337.192 4.532 40 30 EJEBRN CCOc1cc(C)c(C=NNc2ccc([N+](=O)[O-])cc2)cc1C(C)C ZINC000408843912 564007506 /nfs/dbraw/zinc/00/75/06/564007506.db2.gz GCFCPZNGPHLIIG-NDENLUEZSA-N 0 0 341.411 4.871 40 30 EJEBRN COC(=O)c1ccc(Cl)c(/N=C\c2c(C)n(C)c3ccccc23)c1 ZINC000408849041 564007606 /nfs/dbraw/zinc/00/76/06/564007606.db2.gz UCOMHBZKFFZSHF-NHDPSOOVSA-N 0 0 340.810 4.677 40 30 EJEBRN 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563406502 /nfs/dbraw/zinc/40/65/02/563406502.db2.gz HEMYTSVHMYKVRD-PMACEKPBSA-N 0 0 344.476 4.817 40 30 EJEBRN O=C1CS/C(=N\c2cccc(Cl)c2)N1c1cccc(Cl)c1 ZINC000002759215 563449419 /nfs/dbraw/zinc/44/94/19/563449419.db2.gz DBESNJJCCDDITF-SDXDJHTJSA-N 0 0 337.231 4.761 40 30 EJEBRN Cc1ccc(C)c(/N=C\c2ccccc2I)c1 ZINC000408552005 563469518 /nfs/dbraw/zinc/46/95/18/563469518.db2.gz RDBVKUXYHWVSDP-YVLHZVERSA-N 0 0 335.188 4.659 40 30 EJEBRN Cc1ccc(-c2nn(-c3ccccc3)cc2C=NNc2ccccc2)o1 ZINC000408592512 563492740 /nfs/dbraw/zinc/49/27/40/563492740.db2.gz YVHAHVSJOKKKRB-HMAPJEAMSA-N 0 0 342.402 4.887 40 30 EJEBRN O=[N+]([O-])c1cccc(CO/N=C/c2ccc(-c3cccc(F)c3)o2)c1 ZINC000408594658 563493627 /nfs/dbraw/zinc/49/36/27/563493627.db2.gz UPUOXRYPRSUDLA-RGVLZGJSSA-N 0 0 340.310 4.545 40 30 EJEBRN Cc1cc(/C=N/OCc2ccccc2C#N)c(C)n1Cc1ccccc1 ZINC000408597448 563495110 /nfs/dbraw/zinc/49/51/10/563495110.db2.gz ZYEFVWCYHHCVOY-ZVHZXABRSA-N 0 0 343.430 4.576 40 30 EJEBRN O=C(/C=C/c1ccc(COc2ccccc2[N+](=O)[O-])o1)c1ccccc1 ZINC000408621417 563501566 /nfs/dbraw/zinc/50/15/66/563501566.db2.gz MEBROWIOLFOCNX-OUKQBFOZSA-N 0 0 349.342 4.663 40 30 EJEBRN Cc1ccc(/N=C/c2c(O)ccc3cc(Br)ccc32)nc1 ZINC000005337688 563527232 /nfs/dbraw/zinc/52/72/32/563527232.db2.gz LVQLRNSPVZNOGI-KEBDBYFISA-N 0 0 341.208 4.762 40 30 EJEBRN O=C1N/C(=N/c2ccc(Cl)c(Cl)c2)S/C1=C\c1ccccc1 ZINC000005376280 563530087 /nfs/dbraw/zinc/53/00/87/563530087.db2.gz ITAIBXSLBQFTGO-ZSOIEALJSA-N 0 0 349.242 4.885 40 30 EJEBRN O=C1N/C(=N/c2cccc3ccccc32)S/C1=C\c1ccc(F)cc1 ZINC000005377006 563530479 /nfs/dbraw/zinc/53/04/79/563530479.db2.gz LURDOAHNTNAJAA-PDGQHHTCSA-N 0 0 348.402 4.871 40 30 EJEBRN CCOP(=O)(OCC)O/N=C(/C)c1ccccc1C(F)(F)F ZINC000005575817 563540741 /nfs/dbraw/zinc/54/07/41/563540741.db2.gz WTADLMTZAQZFNJ-YVLHZVERSA-N 0 0 339.250 4.627 40 30 EJEBRN O=C1SC(c2ccccc2)=N/C1=C\c1ccc(Br)cc1 ZINC000005602641 563542179 /nfs/dbraw/zinc/54/21/79/563542179.db2.gz VKPXTAJWBCDPMI-UVTDQMKNSA-N 0 0 344.233 4.510 40 30 EJEBRN Cc1cccc(/N=C/c2c(O)ccc3cc(Br)ccc32)n1 ZINC000005740599 563548495 /nfs/dbraw/zinc/54/84/95/563548495.db2.gz KVVRWQWBLNJPHD-VXLYETTFSA-N 0 0 341.208 4.762 40 30 EJEBRN CCCCCCCCCNC(=O)C(=O)Nc1ccccc1C(C)(C)C ZINC000408708710 563595355 /nfs/dbraw/zinc/59/53/55/563595355.db2.gz LHJCEVGDJGLNDY-UHFFFAOYSA-N 0 0 346.515 4.789 40 30 EJEBRN COc1cc(/C=N/c2nc3c(s2)-c2ccccc2CC3)ccc1C ZINC000408723254 563620399 /nfs/dbraw/zinc/62/03/99/563620399.db2.gz SCWNZUKCWSHUQA-CIAFOILYSA-N 0 0 334.444 4.976 40 30 EJEBRN Cc1ccc(/C=N/c2nc3c(s2)CCc2ccccc2-3)cc1[N+](=O)[O-] ZINC000408723259 563620409 /nfs/dbraw/zinc/62/04/09/563620409.db2.gz SGUXTALZFMQTTD-RGVLZGJSSA-N 0 0 349.415 4.876 40 30 EJEBRN Cc1cccc(/N=C2/NC(=O)/C(=C/c3ccccc3Cl)S2)c1C ZINC000008415208 563629742 /nfs/dbraw/zinc/62/97/42/563629742.db2.gz RMGWQXAEUQRDET-YBEGLDIGSA-N 0 0 342.851 4.848 40 30 EJEBRN Oc1cccc(/C=N/c2cc(-c3ccccc3)nn2-c2ccccc2)c1 ZINC000408737445 563635281 /nfs/dbraw/zinc/63/52/81/563635281.db2.gz QXYYROLPVMCBSF-XQNSMLJCSA-N 0 0 339.398 4.996 40 30 EJEBRN C=CCOc1ccc(-c2nc(=O)c3c4c(sc3[nH]2)CCCC4)cc1 ZINC000408734911 563636071 /nfs/dbraw/zinc/63/60/71/563636071.db2.gz LKBDNVOMZFFWAD-UHFFFAOYSA-N 0 0 338.432 4.508 40 30 EJEBRN O=C1NC(=Nc2cc(Cl)ccc2Cl)S/C1=C/c1ccccc1 ZINC000408749051 563640760 /nfs/dbraw/zinc/64/07/60/563640760.db2.gz KPLDFZNZUZOXRK-RIYZIHGNSA-N 0 0 349.242 4.885 40 30 EJEBRN CC1(C)[C@@H]2CC[C@@]1(C)C(N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CC2 ZINC000013405713 563697778 /nfs/dbraw/zinc/69/77/78/563697778.db2.gz QBXNDHCLWAAXCS-JAXHVZOPSA-N 0 0 346.387 4.507 40 30 EJEBRN C=C1C(=NC(=O)c2ccc(Cl)cc2)C(=C)C(Cl)C(=O)C1Cl ZINC000016779965 563823385 /nfs/dbraw/zinc/82/33/85/563823385.db2.gz RRMCHEIVLQNFGZ-UHFFFAOYSA-N 0 0 342.609 4.530 40 30 EJEBRN Oc1ccc(Br)cc1/C=N/C12CC3CC(CC(C3)C1)C2 ZINC000017068727 563832719 /nfs/dbraw/zinc/83/27/19/563832719.db2.gz QCPVYKCNLATNDI-VXLYETTFSA-N 0 0 334.257 4.542 40 30 EJEBRN Cc1cc(C)cc([C@@H](C)/N=C/c2cc(Br)ccc2O)c1 ZINC000017141951 563838428 /nfs/dbraw/zinc/83/84/28/563838428.db2.gz SZIMQWAWDOGJCK-BUESGFEBSA-N 0 0 332.241 4.952 40 30 EJEBRN FC(F)(F)c1ccc(Cl)c(/N=C/c2ccc3c(c2)OCO3)c1 ZINC000018058520 563847438 /nfs/dbraw/zinc/84/74/38/563847438.db2.gz XGQOCESAPLRPPM-IFRROFPPSA-N 0 0 327.689 4.838 40 30 EJEBRN CN1C/C(=C\C=C/c2ccccc2)C(=O)/C(=C\C=C/c2ccccc2)C1 ZINC000031841016 563913118 /nfs/dbraw/zinc/91/31/18/563913118.db2.gz UZMNXCUMVFUXQA-YQMIMUSFSA-N 0 0 341.454 4.781 40 30 EJEBRN C[C@@H]1CCc2c(C#N)c(NC(=O)CSc3cccs3)sc2C1 ZINC000261527082 563930390 /nfs/dbraw/zinc/93/03/90/563930390.db2.gz YSGXEVCDUNDRFY-SNVBAGLBSA-N 0 0 348.518 4.537 40 30 EJEBRN CC(C)(C)c1ccc(C=NN2C(=S)N=NC2C2CCCCC2)cc1 ZINC000253616955 563950459 /nfs/dbraw/zinc/95/04/59/563950459.db2.gz GBJYULADQNTVHK-UHFFFAOYSA-N 0 0 342.512 4.794 40 30 EJEBRN C=CCn1c(-c2ccccc2)csc1=Nc1ccc(C(C)=O)cc1 ZINC000254842529 563950461 /nfs/dbraw/zinc/95/04/61/563950461.db2.gz MLGOFVZFPCUZHU-UHFFFAOYSA-N 0 0 334.444 4.838 40 30 EJEBRN C=CCOc1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)cc1 ZINC000222846178 563974857 /nfs/dbraw/zinc/97/48/57/563974857.db2.gz OBFQIBKOOJYTGM-CQSZACIVSA-N 0 0 345.826 4.619 40 30 EJEBRN C=CCOc1ccc(C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)cc1 ZINC000222979309 563976082 /nfs/dbraw/zinc/97/60/82/563976082.db2.gz GVERMTAQFDWRPX-INIZCTEOSA-N 0 0 335.447 4.621 40 30 EJEBRN O=C1C[C@@H](Nc2ccccc2Cl)C=C1Nc1ccccc1Cl ZINC000006222459 563977803 /nfs/dbraw/zinc/97/78/03/563977803.db2.gz YBMNEESEEZMDIK-NSHDSACASA-N 0 0 333.218 4.743 40 30 EJEBRN CCCCCCCCCCCCNC(=O)NCc1ccccc1N ZINC000100967939 563982891 /nfs/dbraw/zinc/98/28/91/563982891.db2.gz DJMGYFGVTZWJBX-UHFFFAOYSA-N 0 0 333.520 4.989 40 30 EJEBRN C=CCn1c(SCc2ccc(F)cc2)nnc1-c1cccs1 ZINC000014062616 563983100 /nfs/dbraw/zinc/98/31/00/563983100.db2.gz OJDPAKRHBXKTAS-UHFFFAOYSA-N 0 0 331.441 4.624 40 30 EJEBRN CCOC(C/N=C\c1ccc2c(c1)Sc1ccccc1O2)OCC ZINC000104138263 563983497 /nfs/dbraw/zinc/98/34/97/563983497.db2.gz KKZSMHYDHQFAAR-NDENLUEZSA-N 0 0 343.448 4.762 40 30 EJEBRN COc1ccc([C@H]2C(=O)c3ccccc3/C2=N\c2cccc(F)c2)cc1 ZINC000105408831 563983757 /nfs/dbraw/zinc/98/37/57/563983757.db2.gz OAWHTOSZSJJIHA-LWGCSBEDSA-N 0 0 345.373 4.935 40 30 EJEBRN O=C(COc1ccccc1)N(O)c1ccc(/C=C/c2ccccc2)cc1 ZINC000001703983 563987599 /nfs/dbraw/zinc/98/75/99/563987599.db2.gz ZQKKCHBZCHWCIC-VAWYXSNFSA-N 0 0 345.398 4.658 40 30 EJEBRN CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@]5(CO5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118936612 563992533 /nfs/dbraw/zinc/99/25/33/563992533.db2.gz QVWIWZCMRRDQQC-RVDICAHYSA-N 0 0 346.511 4.730 40 30 EJEBRN CCCOc1ccc(Br)cc1/C=N/c1ccc(OC)cc1 ZINC000006941604 563993642 /nfs/dbraw/zinc/99/36/42/563993642.db2.gz MFGMRWSAMGBGLR-XDHOZWIPSA-N 0 0 348.240 4.997 40 30 EJEBRN CCOc1cc(/C=N/c2ccc(C)cc2C)cc(Br)c1O ZINC000006958607 563993880 /nfs/dbraw/zinc/99/38/80/563993880.db2.gz BPOJZYPDMNDATP-VXLYETTFSA-N 0 0 348.240 4.921 40 30 EJEBRN CCOc1cc(/C=N/c2cccc(C)c2C)cc(Br)c1O ZINC000006958610 563993895 /nfs/dbraw/zinc/99/38/95/563993895.db2.gz GQLDTYVYXKAFNS-VXLYETTFSA-N 0 0 348.240 4.921 40 30 EJEBRN C#CCOc1c(Cl)cc(/C=N/c2ccc(CC)cc2)cc1OC ZINC000008084291 563995998 /nfs/dbraw/zinc/99/59/98/563995998.db2.gz IUEHSAOMFKUGAL-FYJGNVAPSA-N 0 0 327.811 4.674 40 30 EJEBRN O=C(N[C@@H]1CCCc2sc(Cl)cc21)[C@H]1CCC(=O)c2cccn21 ZINC000329242847 563996076 /nfs/dbraw/zinc/99/60/76/563996076.db2.gz SMDDDZHBPDBHHM-DGCLKSJQSA-N 0 0 348.855 4.755 40 30 EJEBRN COC(=O)c1ccc(/N=C/c2cc(C)n(-c3cccc(C)c3)c2C)cc1 ZINC000408760533 563996648 /nfs/dbraw/zinc/99/66/48/563996648.db2.gz AIJLNHBYEHGOTE-OEAKJJBVSA-N 0 0 346.430 4.940 40 30 EJEBRN C[C@H]1C/C(=C\c2ccc(C#N)cc2)C(=O)/C(=C\c2ccc(C#N)cc2)C1 ZINC000253415761 563999182 /nfs/dbraw/zinc/99/91/82/563999182.db2.gz WOCLVPJDTLLCMY-IYMQEILTSA-N 0 0 338.410 4.896 40 30 EJEBRN O=C1N/C(=N/c2ccccc2)S/C1=C\c1ccc(Cl)cc1Cl ZINC000001226841 564003110 /nfs/dbraw/zinc/00/31/10/564003110.db2.gz ATYUCRXASRQLTI-ZSOIEALJSA-N 0 0 349.242 4.885 40 30 EJEBRN Cc1cc(C=NNc2ccc([N+](=O)[O-])cc2)c(C)n1-c1cccc(C)c1 ZINC000408764456 564006347 /nfs/dbraw/zinc/00/63/47/564006347.db2.gz ISUFZLQINWHWIK-FYJGNVAPSA-N 0 0 348.406 4.757 40 30 EJEBRN C=C[C@H]1OC[C@]2(COC(=O)Nc3ccccc3)[C@H](C)[C@H]1C(C)=C[C@@H]2C ZINC000006744536 564006704 /nfs/dbraw/zinc/00/67/04/564006704.db2.gz HQCWLYGJDWRLIV-PJDYVGSDSA-N 0 0 341.451 4.655 40 30 EJEBRN COC(=O)c1cccc(/N=C/c2cc(C)n(-c3ccccc3)c2C)c1C ZINC000408782935 564007263 /nfs/dbraw/zinc/00/72/63/564007263.db2.gz LHHVOLOOYYGNEM-OEAKJJBVSA-N 0 0 346.430 4.940 40 30 EJEBRN Cc1ccc(NC(=O)COc2ccc(/C=N\c3ccccc3)cc2)cc1 ZINC000408808699 564007349 /nfs/dbraw/zinc/00/73/49/564007349.db2.gz NAIVVOIJNYYTAD-HAHDFKILSA-N 0 0 344.414 4.763 40 30 EJEBRN C=CCc1cc(C=O)cc(OC)c1OCc1ccc2ccccc2c1 ZINC000408859431 564007730 /nfs/dbraw/zinc/00/77/30/564007730.db2.gz UGYPZMJAUCIGEI-UHFFFAOYSA-N 0 0 332.399 4.968 40 30 EJEBRN CC1=NOC(=O)/C1=C/c1c(OCc2ccccc2)ccc2ccccc21 ZINC000408946134 564008188 /nfs/dbraw/zinc/00/81/88/564008188.db2.gz YCJVPSADIMCSAN-CPNJWEJPSA-N 0 0 343.382 4.735 40 30 EJEBRN Cc1nn(-c2ccc(C)cc2)c(C)c1C=NNc1ccc(C)c(C)c1 ZINC000409001461 564008805 /nfs/dbraw/zinc/00/88/05/564008805.db2.gz WBLVFOTUYAHEPO-XKZIYDEJSA-N 0 0 332.451 4.860 40 30 EJEBRN FC(F)(F)C(F)(F)C(F)(F)N/N=C/c1cccc2ccccc12 ZINC000409043079 564009103 /nfs/dbraw/zinc/00/91/03/564009103.db2.gz ZIMGFONFMNNTPN-GZIVZEMBSA-N 0 0 338.226 4.554 40 30 EJEBRN Cc1csc(N=NC(C)c2ccc(OCc3ccccc3)cc2)n1 ZINC000409058630 564009254 /nfs/dbraw/zinc/00/92/54/564009254.db2.gz UHLQECQZGYURBM-RCCKNPSSSA-N 0 0 337.448 4.867 40 30 EJEBRN COc1cc(N2CCCC2)c(OC)cc1/C=N\c1cc(C)ccc1C ZINC000409096951 564009849 /nfs/dbraw/zinc/00/98/49/564009849.db2.gz MQQLXDMGQPAABO-HMAPJEAMSA-N 0 0 338.451 4.671 40 30 EJEBRN C#CCOc1c(CC=C)cc(CNc2ccc(C)cc2C)cc1OC ZINC000409111485 564010066 /nfs/dbraw/zinc/01/00/66/564010066.db2.gz ARDSYGRJZAFLNX-UHFFFAOYSA-N 0 0 335.447 4.665 40 30 EJEBRN C=CCSc1nnc(-c2ccccc2)n1-c1ccc(OCC)cc1 ZINC000409119126 564010282 /nfs/dbraw/zinc/01/02/82/564010282.db2.gz RHZVIDVPUCCBNM-UHFFFAOYSA-N 0 0 337.448 4.611 40 30 EJEBRN C#CCOc1ccc(CNc2cc(C)ccc2C)cc1Br ZINC000409121962 564010354 /nfs/dbraw/zinc/01/03/54/564010354.db2.gz WEHOPOLJOGSVJR-UHFFFAOYSA-N 0 0 344.252 4.690 40 30 EJEBRN C#CCOc1ccc(Br)cc1/C=N/c1cccc(C)c1C ZINC000409202597 564011062 /nfs/dbraw/zinc/01/10/62/564011062.db2.gz RWJZMEFJKIACCN-UDWIEESQSA-N 0 0 342.236 4.829 40 30 EJEBRN COc1cc(N2CCCCC2)ccc1/C=N/c1ccc(F)c(C)c1 ZINC000409245946 564011313 /nfs/dbraw/zinc/01/13/13/564011313.db2.gz BGQGLYXFRVBUMY-HYARGMPZSA-N 0 0 326.415 4.884 40 30 EJEBRN COc1cc(N2CCCCC2)ccc1/C=N/c1ccc(F)cc1F ZINC000409241457 564011386 /nfs/dbraw/zinc/01/13/86/564011386.db2.gz NLDLZLAUQFSPOI-LPYMAVHISA-N 0 0 330.378 4.714 40 30 EJEBRN O=[N+]([O-])c1ccc(COc2ccc(C=NNc3ccccc3)cc2)cc1 ZINC000409261249 564011402 /nfs/dbraw/zinc/01/14/02/564011402.db2.gz BKCOTVRKBAKSKS-KGENOOAVSA-N 0 0 347.374 4.620 40 30 EJEBRN C=CCc1cc(C=O)cc(OC)c1OCc1cccc2ccccc21 ZINC000005661118 564014269 /nfs/dbraw/zinc/01/42/69/564014269.db2.gz SDAITCUSFKXSEL-UHFFFAOYSA-N 0 0 332.399 4.968 40 30 EJEBRN CCn1c(C)c(/C=N/NCc2ccccc2Cl)c2ccccc21 ZINC000008811538 564015156 /nfs/dbraw/zinc/01/51/56/564015156.db2.gz NXJSTFXZSXHLBS-LPYMAVHISA-N 0 0 325.843 4.747 40 30 EJEBRN C=CCOc1ccc(Cl)cc1/C=N/NCc1ccc(Cl)cc1 ZINC000010118998 564017124 /nfs/dbraw/zinc/01/71/24/564017124.db2.gz KRFHLSISLDMEIP-CIAFOILYSA-N 0 0 335.234 4.682 40 30 EJEBRN CCOc1ccc(C(=O)Nc2sc(C)c(C)c2C#N)cc1Cl ZINC000014258574 564021910 /nfs/dbraw/zinc/02/19/10/564021910.db2.gz PSMGUHJZNLSZPA-UHFFFAOYSA-N 0 0 334.828 4.541 40 30 EJEBRN C=CCc1cc(C(=O)Nc2cc(Cl)ccc2Cl)ccc1OC ZINC000014398554 564022321 /nfs/dbraw/zinc/02/23/21/564022321.db2.gz IBGASIZYYTXKIQ-UHFFFAOYSA-N 0 0 336.218 4.983 40 30 EJEBRN C/C(=N\O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118924313 564025059 /nfs/dbraw/zinc/02/50/59/564025059.db2.gz QRBQTBMHAOMKGV-ASIAPXLTSA-N 0 0 331.500 4.776 40 30 EJEBRN Cc1ccc2cc(C)c(NN=Cc3c(Cl)nc4ccccn43)nc2c1 ZINC000005571156 564032720 /nfs/dbraw/zinc/03/27/20/564032720.db2.gz FUZKAQBBYONEAX-SRZZPIQSSA-N 0 0 349.825 4.599 40 30 EJEBRN COc1ccccc1CN/N=C/c1cc(C)n(-c2ccc(C)cc2)c1C ZINC000020762452 564033427 /nfs/dbraw/zinc/03/34/27/564033427.db2.gz ODVNEOGKRNNQBJ-BUVRLJJBSA-N 0 0 347.462 4.535 40 30 EJEBRN Cc1ccc(C2(NC(=S)Nc3ccc(CC#N)cc3)CCCC2)cc1 ZINC000225853014 564049851 /nfs/dbraw/zinc/04/98/51/564049851.db2.gz OMMJLQFBZOYXCP-UHFFFAOYSA-N 0 0 349.503 4.817 40 30 EJEBRN COc1ccc(-n2cccc2/C=N/c2ccc3ncccc3c2)cc1 ZINC000059105001 564050428 /nfs/dbraw/zinc/05/04/28/564050428.db2.gz RTVVMNGQECEFKR-HZHRSRAPSA-N 0 0 327.387 4.785 40 30 EJEBRN COC(=O)c1cc(/N=C/c2cccn2-c2ccccc2)ccc1Cl ZINC000059248905 564050561 /nfs/dbraw/zinc/05/05/61/564050561.db2.gz YEAKQUOETASXJD-FYJGNVAPSA-N 0 0 338.794 4.668 40 30 EJEBRN COc1cc(C=NNc2ccccc2)ccc1OCc1ccccc1 ZINC000059426218 564050714 /nfs/dbraw/zinc/05/07/14/564050714.db2.gz HHGNPTMOUYUXBE-PXLXIMEGSA-N 0 0 332.403 4.720 40 30 EJEBRN C=CCc1ccc2ccc(/C=C/c3ccc([N+](=O)[O-])cc3)nc2c1O ZINC000008036192 564072216 /nfs/dbraw/zinc/07/22/16/564072216.db2.gz PAYLPGVHDXRZON-ONNFQVAWSA-N 0 0 332.359 4.748 40 30 EJEBRN C=CCOc1cccc(NC(=O)COc2cc(C)ccc2C(C)C)c1 ZINC000008904941 564072769 /nfs/dbraw/zinc/07/27/69/564072769.db2.gz FCDSWKQXMLMJFW-UHFFFAOYSA-N 0 0 339.435 4.701 40 30 EJEBRN C=CCOc1cc2c(cc1[C@H](C)c1ccc(OCC)cc1)OCO2 ZINC000001582755 564074686 /nfs/dbraw/zinc/07/46/86/564074686.db2.gz GKQAWHGNVBHQAX-CQSZACIVSA-N 0 0 326.392 4.531 40 30 EJEBRN CCCCCCCCCC[NH2+][C@@H](CC(=O)c1ccc(C)cc1)C(=O)[O-] ZINC000101672316 564077116 /nfs/dbraw/zinc/07/71/16/564077116.db2.gz FRSKOKFNVBWTKL-IBGZPJMESA-N 0 0 347.499 4.751 40 30 EJEBRN Oc1ccc2ccccc2c1/C=N/N=C1\C[C@H](c2ccccc2)N=N1 ZINC000024543267 564078827 /nfs/dbraw/zinc/07/88/27/564078827.db2.gz UWFRVXQVAIHVLF-XVIQTJBWSA-N 0 0 328.375 4.875 40 30 EJEBRN CC(C)(C)c1ccc(-c2c(C#N)c(N)c(C#N)c3c2CCCC3)cc1 ZINC000016323274 564081883 /nfs/dbraw/zinc/08/18/83/564081883.db2.gz RHDQQVGTTIHYLI-UHFFFAOYSA-N 0 0 329.447 4.855 40 30 EJEBRN C=CCCCCCCC#CCCCCCC[C@@H]1C(=O)O[C@H](C)[C@@H]1O ZINC000035464335 564083676 /nfs/dbraw/zinc/08/36/76/564083676.db2.gz CADCSTMAPXTITJ-AABGKKOBSA-N 0 0 334.500 4.779 40 30 biogenic,in-vitro EJEBRN C=C(C)COc1cccc(C(=O)Nc2ccc(C(F)(F)F)cc2)c1 ZINC000219782485 564084147 /nfs/dbraw/zinc/08/41/47/564084147.db2.gz DUGAFNSGXBRYJE-UHFFFAOYSA-N 0 0 335.325 4.913 40 30 EJEBRN C=C(C)COc1cccc(C(=O)N[C@H](CC)c2ccc(OC)cc2)c1 ZINC000219790393 564084152 /nfs/dbraw/zinc/08/41/52/564084152.db2.gz IQUIMCQDNLYXBD-HXUWFJFHSA-N 0 0 339.435 4.531 40 30 EJEBRN CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CC/C(=N\O)[C@]4(C)CC[C@H]32)C1 ZINC000253505151 564089505 /nfs/dbraw/zinc/08/95/05/564089505.db2.gz QLSVFSSDFUXCHZ-TXWGQVLRSA-N 0 0 345.483 4.711 40 30 biogenic,in-vitro EJEBRN C=CCN(C(=S)Oc1ccc2nc(C)c(C)nc2c1)c1ccccc1 ZINC000005986565 564125757 /nfs/dbraw/zinc/12/57/57/564125757.db2.gz GXJTYQAPMFNBRN-UHFFFAOYSA-N 0 0 349.459 4.603 40 30 EJEBRN CCOc1ccc(/N=C/c2cc(Cl)c(OC)c(OCC)c2)cc1 ZINC000006962165 564126432 /nfs/dbraw/zinc/12/64/32/564126432.db2.gz GHPMPUQJZVNMGU-UDWIEESQSA-N 0 0 333.815 4.897 40 30 EJEBRN COc1cc(/C=N/c2cc(C)ccc2C)cc(Br)c1OC ZINC000008367811 564127288 /nfs/dbraw/zinc/12/72/88/564127288.db2.gz ISVWSAGXKDWNKV-VXLYETTFSA-N 0 0 348.240 4.834 40 30 EJEBRN C=CCOc1cccc(NC(=O)[C@@H](CC)Oc2ccc(Cl)cc2)c1 ZINC000008498757 564127523 /nfs/dbraw/zinc/12/75/23/564127523.db2.gz UOWKRVOKVNDALQ-GOSISDBHSA-N 0 0 345.826 4.701 40 30 EJEBRN C=CCOc1cccc(NC(=O)CSCc2ccc(Cl)cc2)c1 ZINC000060512702 564128607 /nfs/dbraw/zinc/12/86/07/564128607.db2.gz KUYOUNYHPGYHPT-UHFFFAOYSA-N 0 0 347.867 4.777 40 30 EJEBRN Cc1cc(/C=N/c2ccccc2O)c(C)n1-c1ccc(N(C)C)cc1 ZINC000001091609 564129738 /nfs/dbraw/zinc/12/97/38/564129738.db2.gz TWOYPXMPXCZZAM-HYARGMPZSA-N 0 0 333.435 4.616 40 30 EJEBRN FC(F)(F)c1ccc(N=NCc2ccc(Cl)c(Cl)c2)nc1 ZINC000006297167 564129780 /nfs/dbraw/zinc/12/97/80/564129780.db2.gz KHFBVOAWNZGMHG-CGOBSMCZSA-N 0 0 334.128 4.853 40 30 EJEBRN CC(C)OC(=O)COc1ccc(/C=N/c2ccc(F)c(Cl)c2)cc1 ZINC000006256383 564129789 /nfs/dbraw/zinc/12/97/89/564129789.db2.gz SBAGVORTYNYIGS-UFFVCSGVSA-N 0 0 349.789 4.560 40 30 EJEBRN CC[C@H](C)Oc1c(Cl)cc(C=NNc2ccccc2)cc1OC ZINC000006707241 564129832 /nfs/dbraw/zinc/12/98/32/564129832.db2.gz CJUVMLZXHASBRA-DZUMZMOTSA-N 0 0 332.831 4.972 40 30 EJEBRN COc1ccc(C(=O)/C=C/c2ccc(C)c(Br)c2)cc1 ZINC000007939565 564129845 /nfs/dbraw/zinc/12/98/45/564129845.db2.gz ZTZQIKQZYCRKAM-BJMVGYQFSA-N 0 0 331.209 4.662 40 30 EJEBRN O=C1CCCCCC1=CNc1ccc(Br)c(Cl)c1 ZINC000107598161 564129936 /nfs/dbraw/zinc/12/99/36/564129936.db2.gz GUPPVHUCXCDLOX-MDZDMXLPSA-N 0 0 328.637 4.932 40 30 EJEBRN C(=NNc1ccccc1)c1ccc(Sc2nc3ccccc3[nH]2)o1 ZINC000107999412 564129991 /nfs/dbraw/zinc/12/99/91/564129991.db2.gz XATOVLJBXUOQFK-XDHOZWIPSA-N 0 0 334.404 4.753 40 30 EJEBRN C#Cc1c(C)nn(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1C ZINC000685937169 564133313 /nfs/dbraw/zinc/13/33/13/564133313.db2.gz CBCCCILTNKMJJD-UHFFFAOYSA-N 0 0 346.274 4.567 40 30 EJEBRN Cc1cccc([C@@H]2Nc3c(C#N)cc([N+](=O)[O-])cc3[C@@H]3C=CC[C@@H]32)c1 ZINC000408762080 564133646 /nfs/dbraw/zinc/13/36/46/564133646.db2.gz MTNOOUNGUULELS-AOIWGVFYSA-N 0 0 331.375 4.601 40 30 EJEBRN COc1cccc(CSc2nc(-c3ccccc3)ccc2C#N)c1 ZINC000006887123 564133773 /nfs/dbraw/zinc/13/37/73/564133773.db2.gz HVFGAXIWDDIGLQ-UHFFFAOYSA-N 0 0 332.428 4.921 40 30 EJEBRN COC(=O)c1ccc(/C=N/c2cc(-c3ccccc3)ccc2O)cc1 ZINC000003033578 564154553 /nfs/dbraw/zinc/15/45/53/564154553.db2.gz HRACOVMOLJGYST-HYARGMPZSA-N 0 0 331.371 4.596 40 30 EJEBRN COc1cccc(/C=N/c2ccc(-c3nc4ccccc4o3)cc2)c1O ZINC000003098646 564155122 /nfs/dbraw/zinc/15/51/22/564155122.db2.gz HCFXXSMPAZKARX-LPYMAVHISA-N 0 0 344.370 4.960 40 30 EJEBRN C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C(Cl)C(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000004683862 210247220 /nfs/dbraw/zinc/24/72/20/210247220.db2.gz SOMOGWLYTLQJGT-XMUHMHRVSA-N 0 0 336.903 4.836 40 30 in-vitro EJEBRN C/N=C1\S/C(=C/c2c3ccccc3cc3ccccc32)C(=O)N1C ZINC000100248803 219095605 /nfs/dbraw/zinc/09/56/05/219095605.db2.gz XFRVRZRGQCFBMA-KDWIEBRMSA-N 0 0 332.428 4.525 40 30 EJEBRN CCCCCCCCCCCCS[C@H](CC(=O)OC)C(=O)OC ZINC000100311711 219096667 /nfs/dbraw/zinc/09/66/67/219096667.db2.gz BCKUJRNQZDMSPN-MRXNPFEDSA-N 0 0 346.533 4.745 40 30 EJEBRN C=C(Br)[C@@](F)(CC(F)(F)C(F)(F)F)C(F)(F)F ZINC000100502128 219100726 /nfs/dbraw/zinc/10/07/26/219100726.db2.gz DOXKLBHEFKYSES-BYPYZUCNSA-N 0 0 338.995 4.753 40 30 EJEBRN C=CCn1c(-c2ccc(OC)cc2)c(C)s/c1=N\c1ccccc1 ZINC000100929248 219111536 /nfs/dbraw/zinc/11/15/36/219111536.db2.gz HUPHWQUDGVYBDD-MRCUWXFGSA-N 0 0 336.460 4.952 40 30 EJEBRN C[C@]12CC[C@H]3[C@@H](CC=C4CC5(CC[C@@]43C)OCCO5)[C@@H]1CC[C@@H]2C#N ZINC000004024531 210101613 /nfs/dbraw/zinc/10/16/13/210101613.db2.gz FUZCPLHZMKOTCW-RDWCLUPISA-N 0 0 341.495 4.832 40 30 EJEBRN Cc1ccccc1NC(=C1C(=O)c2ccccc2C1=O)c1ccccc1 ZINC000102180801 219189960 /nfs/dbraw/zinc/18/99/60/219189960.db2.gz ZCLPAQYHDXAQFS-DARPEHSRSA-N 0 0 339.394 4.811 40 30 EJEBRN [N-]=[N+]=NC1=C(c2ccccc2)C(=O)C(N=[N+]=[N-])=C(c2ccccc2)C1=O ZINC000104088870 219346220 /nfs/dbraw/zinc/34/62/20/219346220.db2.gz BDFPTOSJXBFWAL-UHFFFAOYSA-N 0 0 342.318 4.581 40 30 EJEBRN CC(=O)C(N=Nc1ccccc1)C(c1ccccc1)c1ccccc1 ZINC000104340194 219376088 /nfs/dbraw/zinc/37/60/88/219376088.db2.gz DRXXEOAQCCZXBF-GYHWCHFESA-N 0 0 328.415 4.876 40 30 EJEBRN CCCCCCCC[C@@]1(C)N=C(c2ccccc2)C(OC)(OC)N1O ZINC000104476043 219388418 /nfs/dbraw/zinc/38/84/18/219388418.db2.gz LUAQTTAOWRCYLB-IBGZPJMESA-N 0 0 347.479 4.550 40 30 EJEBRN Cc1ccc(-c2nn(-c3cccc(Cl)c3)c(N)c2C#N)c(Cl)c1 ZINC000039955154 213244776 /nfs/dbraw/zinc/24/47/76/213244776.db2.gz USRKSKVVGNQLCK-UHFFFAOYSA-N 0 0 343.217 4.608 40 30 EJEBRN C=CCn1c(-c2ccc(OC)cc2)csc1=Nc1cccc(C)c1 ZINC000001466276 209753010 /nfs/dbraw/zinc/75/30/10/209753010.db2.gz MTLDFUJTZXTKAN-UHFFFAOYSA-O 0 0 337.468 4.949 40 30 EJEBRN CC1(C)[C@@H]2CC[C@@]1(C)/C(=N\OC(=O)[C@]13CC[C@](C)(C(=O)C1)C3(C)C)C2 ZINC000036293006 213082123 /nfs/dbraw/zinc/08/21/23/213082123.db2.gz SFECAJQDNFQEIJ-QDVWRANASA-N 0 0 345.483 4.517 40 30 EJEBRN CC(=O)/C(=C/c1ccccc1)C(=O)O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000036056588 213059637 /nfs/dbraw/zinc/05/96/37/213059637.db2.gz FDAUAWCWYPKAFJ-ADCHEXGTSA-N 0 0 328.452 4.663 40 30 EJEBRN C=CCOc1ccc2c(c1)CC[C@@H]1[C@@H]3CC[C@@](C)(O)[C@@]3(C)CC[C@H]21 ZINC000033734522 212962176 /nfs/dbraw/zinc/96/21/76/212962176.db2.gz KDWOWEXNJPDUKG-LLVBAIKDSA-N 0 0 326.480 4.859 40 30 EJEBRN CC/C(=N/NC(=S)Nc1cccc(Cl)c1C)c1ccccc1 ZINC000033673498 212958854 /nfs/dbraw/zinc/95/88/54/212958854.db2.gz QSCOTSPWEPMSNE-HKWRFOASSA-N 0 0 331.872 4.749 40 30 EJEBRN COc1ccc(/C=N/c2sc3c(c2C#N)CC[C@@H](C)C3)c(OC)c1 ZINC000000411703 209575568 /nfs/dbraw/zinc/57/55/68/209575568.db2.gz MXNJQCNOKBJBFU-KIHMUJGBSA-N 0 0 340.448 4.512 40 30 EJEBRN O=C(/C=C/c1cc2ccccc2cc1Br)c1ccccn1 ZINC000036625069 202326943 /nfs/dbraw/zinc/32/69/43/202326943.db2.gz NZNWPIWRKVFQGU-CMDGGOBGSA-N 0 0 338.204 4.893 40 30 EJEBRN C=CCOc1ccc(NC(=O)[C@@H](CC)Oc2cc(C)ccc2C)cc1 ZINC000216387544 241189783 /nfs/dbraw/zinc/18/97/83/241189783.db2.gz ONWBMXMCOGXLOG-LJQANCHMSA-N 0 0 339.435 4.664 40 30 EJEBRN C=CCOC(=O)c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1 ZINC000216814322 241213331 /nfs/dbraw/zinc/21/33/31/241213331.db2.gz MJSAPQKOOZYALH-UHFFFAOYSA-N 0 0 337.202 4.915 40 30 EJEBRN C=CCOC(=O)c1ccc(OCc2cccc3ccccc32)c(OC)c1 ZINC000216852806 241214515 /nfs/dbraw/zinc/21/45/15/241214515.db2.gz UEGXQKWUCNTMQQ-UHFFFAOYSA-N 0 0 348.398 4.770 40 30 EJEBRN N#Cc1cc(Cl)c(OCc2ccc(F)cc2)c(Br)c1 ZINC000216910886 241220474 /nfs/dbraw/zinc/22/04/74/241220474.db2.gz BDJBFFZKROBSEL-UHFFFAOYSA-N 0 0 340.579 4.692 40 30 EJEBRN CCCCOc1ccc(NC(=O)[C@](C)(CCCC)OCC)c(C#N)c1 ZINC000225825681 242053285 /nfs/dbraw/zinc/05/32/85/242053285.db2.gz ZJTPNQRZTVYZNH-FQEVSTJZSA-N 0 0 346.471 4.661 40 30 EJEBRN CCCCOc1ccc(NC(=O)[C@@](C)(CCC)OCCC)cc1C#N ZINC000225842626 242058239 /nfs/dbraw/zinc/05/82/39/242058239.db2.gz VJEFOMXJLYZMNU-HXUWFJFHSA-N 0 0 346.471 4.661 40 30 EJEBRN CCCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OC(C)C)cc1C#N ZINC000225841218 242058309 /nfs/dbraw/zinc/05/83/09/242058309.db2.gz SLHWMUXWXLCRSV-HXUWFJFHSA-N 0 0 346.471 4.515 40 30 EJEBRN N#Cc1cc(N)c(Oc2ccccc2Cl)n1Cc1ccccc1F ZINC000225881381 242069282 /nfs/dbraw/zinc/06/92/82/242069282.db2.gz FVSYXXRXGDAXPV-UHFFFAOYSA-N 0 0 341.773 4.575 40 30 EJEBRN N#Cc1cc(N)c(Sc2ccccc2)n1Cc1ccccc1Cl ZINC000225887938 242072177 /nfs/dbraw/zinc/07/21/77/242072177.db2.gz ZPKCWNZAXPZMSN-UHFFFAOYSA-N 0 0 339.851 4.795 40 30 EJEBRN CCOc1ccc(NC(=O)C2(c3ccccc3)CCCCC2)c(C#N)c1 ZINC000225756051 242020972 /nfs/dbraw/zinc/02/09/72/242020972.db2.gz NFQIDELJQHWOQR-UHFFFAOYSA-N 0 0 348.446 4.798 40 30 EJEBRN C=CCOc1ccc(NC(=S)N[C@@H](C)c2ccccc2C)cc1 ZINC000225754636 242021116 /nfs/dbraw/zinc/02/11/16/242021116.db2.gz MZFFSHPAXMOYNJ-HNNXBMFYSA-N 0 0 326.465 4.607 40 30 EJEBRN COc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCCC2)c(C#N)c1 ZINC000225760255 242023177 /nfs/dbraw/zinc/02/31/77/242023177.db2.gz MMOOLQKBFAZXKO-UHFFFAOYSA-N 0 0 348.446 4.716 40 30 EJEBRN CC(C)(Oc1ccc(Cl)cc1)C(=O)n1cc(C#N)c2ccccc21 ZINC000226362131 242101572 /nfs/dbraw/zinc/10/15/72/242101572.db2.gz PYPFYKXURNXLKQ-UHFFFAOYSA-N 0 0 338.794 4.664 40 30 EJEBRN Cc1cc(C)c(OCC(=O)n2cc(C#N)c3ccccc32)c(Cl)c1 ZINC000226362200 242102347 /nfs/dbraw/zinc/10/23/47/242102347.db2.gz IWUMNYGGPPBWRR-UHFFFAOYSA-N 0 0 338.794 4.502 40 30 EJEBRN C=CCOC(=O)/C=C/c1ccc(-c2ccc(Br)c(C)c2)o1 ZINC000226256600 242092669 /nfs/dbraw/zinc/09/26/69/242092669.db2.gz XYSORBCMSWIKIL-RMKNXTFCSA-N 0 0 347.208 4.760 40 30 EJEBRN CC[C@@H](C)Nc1nc(Nc2cccc(C#N)c2)cc(-c2ccccc2)n1 ZINC000244178257 243038789 /nfs/dbraw/zinc/03/87/89/243038789.db2.gz VHPHTDMXNGSVQH-OAHLLOKOSA-N 0 0 343.434 4.969 40 30 EJEBRN C=CCOc1ccc(NC(=O)[C@@H](CC)Oc2cccc(C)c2C)cc1 ZINC000020491227 212138161 /nfs/dbraw/zinc/13/81/61/212138161.db2.gz XISGAJZBHWHGAV-LJQANCHMSA-N 0 0 339.435 4.664 40 30 EJEBRN COc1ccc(-c2cc(-c3ccc(Cl)cc3)nc(N)c2C#N)cc1 ZINC000019832263 212073399 /nfs/dbraw/zinc/07/33/99/212073399.db2.gz 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346.120 4.754 40 30 EJEBRN CCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCCC)cc1C#N ZINC000225846630 534958094 /nfs/dbraw/zinc/95/80/94/534958094.db2.gz MYKVSMXDXPFLMV-HXUWFJFHSA-N 0 0 346.471 4.661 40 30 EJEBRN CCCCC[C@](C)(OCC)C(=O)Nc1ccc(OCCC)c(C#N)c1 ZINC000225827274 535139273 /nfs/dbraw/zinc/13/92/73/535139273.db2.gz RZPYADNZPQVOSK-FQEVSTJZSA-N 0 0 346.471 4.661 40 30 EJEBRN CCCCC[C@](C)(OCC)C(=O)Nc1ccc(OCCC)cc1C#N ZINC000225827581 535139456 /nfs/dbraw/zinc/13/94/56/535139456.db2.gz NUCFSGWZEFESLF-FQEVSTJZSA-N 0 0 346.471 4.661 40 30 EJEBRN CCO[C@](C)(CC(C)C)C(=O)Nc1ccc(O[C@@H](C)CC)cc1C#N ZINC000225820657 535650694 /nfs/dbraw/zinc/65/06/94/535650694.db2.gz CZKZGLFZMSTAQZ-MGPUTAFESA-N 0 0 346.471 4.515 40 30 EJEBRN CCOP(=O)(OCC)[C@H](CC#N)c1ccc(C(F)(F)F)cc1 ZINC000005334476 564031949 /nfs/dbraw/zinc/03/19/49/564031949.db2.gz HKNDILLGKHOXIV-CYBMUJFWSA-N 0 0 335.262 4.926 40 30 EJEBRN CCOC(=O)c1c(/N=C/c2ccccc2O)sc2c1CC[C@H](C)C2 ZINC000000411689 563308311 /nfs/dbraw/zinc/30/83/11/563308311.db2.gz 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Cc1cc(/C=N/OCc2ccccc2C#N)c(C)n1-c1ccc(F)cc1 ZINC000408592712 563492694 /nfs/dbraw/zinc/49/26/94/563492694.db2.gz NOKHSNTZSQKQOA-ZMOGYAJESA-N 0 0 347.393 4.656 40 30 EJEBRN CC[C@H](C)Oc1ccc(/C=N/OCc2ccccc2C#N)cc1Cl ZINC000408595745 563494446 /nfs/dbraw/zinc/49/44/46/563494446.db2.gz NBAIXEQLLNIOFX-OFJBCHTGSA-N 0 0 342.826 4.940 40 30 EJEBRN CC(C)Oc1ccccc1C=NNc1ccc(Br)cc1 ZINC000408603474 563496914 /nfs/dbraw/zinc/49/69/14/563496914.db2.gz RAYSOWYGWTZHIV-WOJGMQOQSA-N 0 0 333.229 4.682 40 30 EJEBRN C/C(=N/N1CCN(c2ccc(Cl)cc2)CC1)c1ccc(Cl)cc1 ZINC000004797625 563511297 /nfs/dbraw/zinc/51/12/97/563511297.db2.gz NPXZJXKJCUAUBN-STZFKDTASA-N 0 0 348.277 4.540 40 30 EJEBRN COc1ccc(C(=O)/C=C/c2cc(C)n(-c3ccccc3)c2C)cc1 ZINC000408646499 563515929 /nfs/dbraw/zinc/51/59/29/563515929.db2.gz AYYUZYGGMLQPNT-SDNWHVSQSA-N 0 0 331.415 4.999 40 30 EJEBRN CCn1c2ccccc2[nH]c1=NN=Cc1ccc(-c2ccc(F)cc2)o1 ZINC000408692728 563573991 /nfs/dbraw/zinc/57/39/91/563573991.db2.gz TWBKEYSBYMCIDD-LPYMAVHISA-N 0 0 348.381 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C=CCOc1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)cc1 ZINC000222846233 563974821 /nfs/dbraw/zinc/97/48/21/563974821.db2.gz OBFQIBKOOJYTGM-AWEZNQCLSA-N 0 0 345.826 4.619 40 30 EJEBRN C=CCOc1cccc(NC(=O)[C@@H](CC)Oc2ccc(CC)cc2)c1 ZINC000222887291 563974998 /nfs/dbraw/zinc/97/49/98/563974998.db2.gz HNCDJXCPWVCVNS-HXUWFJFHSA-N 0 0 339.435 4.610 40 30 EJEBRN C=CCOc1cccc(NC(=O)[C@H](CC)Oc2ccc(C)cc2C)c1 ZINC000222959667 563975726 /nfs/dbraw/zinc/97/57/26/563975726.db2.gz JGWCWOBFLTXHTI-IBGZPJMESA-N 0 0 339.435 4.664 40 30 EJEBRN C=CCOc1ccc(NC(=O)[C@@H](CC)Oc2cc(C)cc(C)c2)cc1 ZINC000222988878 563976210 /nfs/dbraw/zinc/97/62/10/563976210.db2.gz MKHLKPJEGRMFCP-HXUWFJFHSA-N 0 0 339.435 4.664 40 30 EJEBRN CCCCCCCCCCCC(=O)O[C@H](C)C(=O)NCCCC ZINC000100302540 563982509 /nfs/dbraw/zinc/98/25/09/563982509.db2.gz ISFZOGMBOFWRMU-QGZVFWFLSA-N 0 0 327.509 4.755 40 30 EJEBRN O=C1c2ccccc2-c2c1cccc2/N=C\c1ccc([N+](=O)[O-])cc1 ZINC000100488518 563982638 /nfs/dbraw/zinc/98/26/38/563982638.db2.gz 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Cc1cc(/C=N\c2ccc(Cl)c([N+](=O)[O-])c2)ccc1N1CCCC1 ZINC000408848501 564007621 /nfs/dbraw/zinc/00/76/21/564007621.db2.gz VNUWTFULLJMDOE-NDENLUEZSA-N 0 0 343.814 4.907 40 30 EJEBRN C=CCc1cc(C=O)cc(Br)c1OCc1ccccc1F ZINC000408857418 564007638 /nfs/dbraw/zinc/00/76/38/564007638.db2.gz UYRNVFAOBLKLHS-UHFFFAOYSA-N 0 0 349.199 4.708 40 30 EJEBRN CC(C)c1ccc(/C=C2\SC(=Nc3ccccc3F)NC2=O)cc1 ZINC000408860881 564007703 /nfs/dbraw/zinc/00/77/03/564007703.db2.gz HETOXCWUNQQXAR-BOPFTXTBSA-N 0 0 340.423 4.841 40 30 EJEBRN Brc1ccc(/N=C\c2ccc(N3CCCC3)cc2)cc1 ZINC000408856240 564007715 /nfs/dbraw/zinc/00/77/15/564007715.db2.gz JOZVOCHZUSOUPD-UYRXBGFRSA-N 0 0 329.241 4.800 40 30 EJEBRN CC(C)N1C(=O)/C(=C\c2ccc(F)cc2)S/C1=N\c1ccccc1 ZINC000408905911 564007918 /nfs/dbraw/zinc/00/79/18/564007918.db2.gz GGIUTSDSQVZGFW-CUNGHOPLSA-N 0 0 340.423 4.838 40 30 EJEBRN CCN1C(=O)/C(=C\c2ccccc2)S/C1=N\c1cc(C)ccc1C ZINC000408907856 564007960 /nfs/dbraw/zinc/00/79/60/564007960.db2.gz PKTLRIDTDJMCEU-BIXZQSIESA-N 0 0 336.460 4.927 40 30 EJEBRN CCN1C(=O)/C(=C\c2ccco2)S/C1=N\c1cc(C)ccc1C ZINC000408912667 564007967 /nfs/dbraw/zinc/00/79/67/564007967.db2.gz QUMDPHOAAHRQEE-BDYZYUDZSA-N 0 0 326.421 4.520 40 30 EJEBRN COc1cc(C=NNc2ccc(C(F)(F)F)cc2)cc(Cl)c1O ZINC000408935213 564008117 /nfs/dbraw/zinc/00/81/17/564008117.db2.gz MZSFWAAFLCQRJX-ZBKNUEDVSA-N 0 0 344.720 4.519 40 30 EJEBRN Cc1cc(N2CCCC2)ccc1/C=N/c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000408961083 564008296 /nfs/dbraw/zinc/00/82/96/564008296.db2.gz QXORYCSLIBPDBA-UDWIEESQSA-N 0 0 343.814 4.907 40 30 EJEBRN C(=N/c1ccc(Nc2ccccc2)cc1)\c1ccc(N2CCOCC2)o1 ZINC000409015385 564008973 /nfs/dbraw/zinc/00/89/73/564008973.db2.gz ZOMBSTYDPLUFKD-CJLVFECKSA-N 0 0 347.418 4.610 40 30 EJEBRN CC(=CC(=O)c1ccc(Br)cc1)N[C@H](C)c1ccccc1 ZINC000409057603 564009270 /nfs/dbraw/zinc/00/92/70/564009270.db2.gz KDMFLWUDSXPXNZ-XTZCOPOCSA-N 0 0 344.252 4.886 40 30 EJEBRN CC(C)c1ccc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)cc1 ZINC000409044636 564009166 /nfs/dbraw/zinc/00/91/66/564009166.db2.gz OMVRFPXZGQAIQT-YXSASFKJSA-N 0 0 330.247 4.524 40 30 EJEBRN CCOc1ccc(Cl)cc1CN=Nc1ccc(C(F)(F)F)cn1 ZINC000409063839 564009318 /nfs/dbraw/zinc/00/93/18/564009318.db2.gz ADRYTCWPDNVHBV-WNFQYIGGSA-N 0 0 343.736 4.599 40 30 EJEBRN C=CCc1cc(/C=N/O)cc(OC)c1OCc1cccc2ccccc21 ZINC000409067667 564009342 /nfs/dbraw/zinc/00/93/42/564009342.db2.gz PFPMQTNPNRRQMI-OEAKJJBVSA-N 0 0 347.414 4.964 40 30 EJEBRN Fc1cnc(Cl)nc1Oc1cccc(C=NNc2ccccc2)c1 ZINC000409066864 564009351 /nfs/dbraw/zinc/00/93/51/564009351.db2.gz XBOWWCQVSSFDSX-UFFVCSGVSA-N 0 0 342.761 4.507 40 30 EJEBRN Cc1cc(N2CCOCC2)ccc1/C=N\c1ccc(Cl)c(Cl)c1 ZINC000409076192 564009465 /nfs/dbraw/zinc/00/94/65/564009465.db2.gz ZGEFZJASYRRCFI-MTJSOVHGSA-N 0 0 349.261 4.889 40 30 EJEBRN Cc1cccc(-n2cccc2CN=Nc2ccc(C(F)(F)F)cn2)c1 ZINC000409070942 564009500 /nfs/dbraw/zinc/00/95/00/564009500.db2.gz ZSOFWBMRZRUCMR-FSJBWODESA-N 0 0 344.340 4.646 40 30 EJEBRN C(=N/c1ccc(-c2ccccc2)cc1)\c1ccc(N2CCOCC2)cc1 ZINC000409097772 564009887 /nfs/dbraw/zinc/00/98/87/564009887.db2.gz NMFQHEGNYLFEBG-HKOYGPOVSA-N 0 0 342.442 4.941 40 30 EJEBRN COc1cc(N2CCCC2)c(OC)cc1/C=N\c1ccccc1Cl ZINC000409102350 564009962 /nfs/dbraw/zinc/00/99/62/564009962.db2.gz YXSVHJWNFQNAKE-BKUYFWCQSA-N 0 0 344.842 4.708 40 30 EJEBRN C=CCOc1ccc(Br)cc1CNc1ccc(C)cc1 ZINC000409120000 564010293 /nfs/dbraw/zinc/01/02/93/564010293.db2.gz RXFKPKUYRORBJA-UHFFFAOYSA-N 0 0 332.241 4.934 40 30 EJEBRN CCOc1ccc(-n2c(C)cc(/C=N\c3cccc(O)c3)c2C)cc1 ZINC000409186956 564010794 /nfs/dbraw/zinc/01/07/94/564010794.db2.gz KDCSRWJICHVQFP-HMAPJEAMSA-N 0 0 334.419 4.949 40 30 EJEBRN Cc1cccc(NC(=O)COc2cccc(/C=N\c3ccccc3)c2)c1 ZINC000409201693 564011064 /nfs/dbraw/zinc/01/10/64/564011064.db2.gz NLKWNYTWQWBXPF-HAHDFKILSA-N 0 0 344.414 4.763 40 30 EJEBRN Cc1cc(/C=N\c2cccc(C)c2)c(C)n1NC(=O)c1ccccc1 ZINC000409206205 564011077 /nfs/dbraw/zinc/01/10/77/564011077.db2.gz WCOCSYITTISLFZ-HMAPJEAMSA-N 0 0 331.419 4.548 40 30 EJEBRN Cc1cc(/C=N\c2ccccc2C)c(C)n1NC(=O)c1ccccc1 ZINC000409215829 564011131 /nfs/dbraw/zinc/01/11/31/564011131.db2.gz BMWKLEUXRFUWBI-HMAPJEAMSA-N 0 0 331.419 4.548 40 30 EJEBRN CCN1C(=O)/C(=C\c2cccs2)S/C1=N/c1ccc(F)cc1 ZINC000409245220 564011309 /nfs/dbraw/zinc/01/13/09/564011309.db2.gz PGGBEJOQLXBRSO-WVTXTPTHSA-N 0 0 332.425 4.511 40 30 EJEBRN Cc1ccc(-c2ccc(/C=C3\Cc4ccccc4C3=O)o2)c([N+](=O)[O-])c1 ZINC000409372084 564011919 /nfs/dbraw/zinc/01/19/19/564011919.db2.gz LCJDIBVCKZTHIO-NTCAYCPXSA-N 0 0 345.354 4.986 40 30 EJEBRN O=C1ON=C(c2ccccc2)/C1=C/c1ccc(-c2ccc(Cl)cc2)o1 ZINC000006927492 564015082 /nfs/dbraw/zinc/01/50/82/564015082.db2.gz CDWDQAJKLAIYKU-ATVHPVEESA-N 0 0 349.773 4.945 40 30 EJEBRN CCOc1cc(/C=N/O)cc(Cl)c1OCc1cccc(Cl)c1 ZINC000011864193 564018012 /nfs/dbraw/zinc/01/80/12/564018012.db2.gz ZCMLUJSJPGYOIV-DJKKODMXSA-N 0 0 340.206 4.779 40 30 EJEBRN C#CCOc1ccc2ccccc2c1/C=N/NCc1ccc(Cl)cc1 ZINC000010118887 564018568 /nfs/dbraw/zinc/01/85/68/564018568.db2.gz JJIZZABWCINDQS-BUVRLJJBSA-N 0 0 348.833 4.629 40 30 EJEBRN CCCOc1ccc(/C=N/NCc2ccc(Cl)cc2)cc1OCC ZINC000010119079 564018727 /nfs/dbraw/zinc/01/87/27/564018727.db2.gz HZGADMUYCXMKIK-HYARGMPZSA-N 0 0 346.858 4.651 40 30 EJEBRN Cn1c(=S)ss/c1=N\C(=N/c1ccccc1)c1ccccc1 ZINC000013551546 564020253 /nfs/dbraw/zinc/02/02/53/564020253.db2.gz JTCJGMPPZFPULS-UBTQEXSZSA-N 0 0 343.502 4.557 40 30 EJEBRN c1csc(CN=Nc2nc(-c3ccccc3)nc3ccccc32)c1 ZINC000005731536 564024584 /nfs/dbraw/zinc/02/45/84/564024584.db2.gz PRIPRWAPNSCBJP-DEDYPNTBSA-N 0 0 330.416 4.804 40 30 EJEBRN CCCCCCCCNS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000108458642 564028274 /nfs/dbraw/zinc/02/82/74/564028274.db2.gz YOULGJXNKVUUNJ-UHFFFAOYSA-N 0 0 338.300 4.632 40 30 EJEBRN COc1ccccc1CN/N=C/c1ccc(-c2cccc(Cl)c2)o1 ZINC000020761706 564033404 /nfs/dbraw/zinc/03/34/04/564033404.db2.gz XUEFOJHEFCOUIM-LPYMAVHISA-N 0 0 340.810 4.732 40 30 EJEBRN CC1(C)COc2ccc(/C=C/C(=O)c3ccc(F)cc3)cc2OC1 ZINC000225371437 564046222 /nfs/dbraw/zinc/04/62/22/564046222.db2.gz JFBVKYLXAJDHIE-YCRREMRBSA-N 0 0 326.367 4.519 40 30 EJEBRN COC(=O)c1ccc(Cl)c(/N=C/c2cccn2-c2ccccc2)c1 ZINC000059678265 564050947 /nfs/dbraw/zinc/05/09/47/564050947.db2.gz MNEXKIJNFWNYND-FYJGNVAPSA-N 0 0 338.794 4.668 40 30 EJEBRN O=[N+]([O-])c1ccc(CON=C(c2ccc(Cl)cc2)C2CC2)cc1 ZINC000254703729 564053671 /nfs/dbraw/zinc/05/36/71/564053671.db2.gz LZLLLIXVUHWOKV-UHFFFAOYSA-N 0 0 330.771 4.579 40 30 EJEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)c3ccco3)sc2C1 ZINC000005902799 564056860 /nfs/dbraw/zinc/05/68/60/564056860.db2.gz VGGAFJPLVRJOMV-NSHDSACASA-N 0 0 328.437 4.616 40 30 EJEBRN C/C(=C\CC1=C(C)CCCC1(C)C)[C@@H](O)C#C[C@]1(C)C=COCCO1 ZINC000095611843 564066207 /nfs/dbraw/zinc/06/62/07/564066207.db2.gz VPXQWWCWFOYTAT-ZFQMYRJOSA-N 0 0 344.495 4.533 40 30 EJEBRN CC1=C(/C=C/[C@@](C)(O)CC#C[C@]2(C)C=COCCO2)C(C)(C)CCC1 ZINC000095611847 564066209 /nfs/dbraw/zinc/06/62/09/564066209.db2.gz FOOIMBDCRKVYBU-WMNQZJELSA-N 0 0 344.495 4.533 40 30 EJEBRN C/C(=C\CC1=C(C)CCCC1(C)C)[C@@H](O)C#C[C@@]1(C)C=COCCO1 ZINC000095611845 564066232 /nfs/dbraw/zinc/06/62/32/564066232.db2.gz VPXQWWCWFOYTAT-WOOKUMAYSA-N 0 0 344.495 4.533 40 30 EJEBRN C=CCOc1cccc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)c1 ZINC000065749275 564066901 /nfs/dbraw/zinc/06/69/01/564066901.db2.gz MCEFLECKQYMPMI-UHFFFAOYSA-N 0 0 345.826 4.701 40 30 EJEBRN C=C(C)COc1cccc(C(=O)Nc2ccc(OC)c(Cl)c2)c1 ZINC000008570665 564072499 /nfs/dbraw/zinc/07/24/99/564072499.db2.gz LALAUFMDHZBHEX-UHFFFAOYSA-N 0 0 331.799 4.556 40 30 EJEBRN N#Cc1cccc(CSc2nnc(-c3ccc(Cl)cc3)o2)c1 ZINC000006172325 564077213 /nfs/dbraw/zinc/07/72/13/564077213.db2.gz NPAYDRCFANSHHI-UHFFFAOYSA-N 0 0 327.796 4.554 40 30 EJEBRN C=CCSc1ccccc1C(=O)NCCCc1ccc(C)cc1 ZINC000219812305 564084202 /nfs/dbraw/zinc/08/42/02/564084202.db2.gz UXSCKKQWRGVRIG-UHFFFAOYSA-N 0 0 325.477 4.636 40 30 EJEBRN N#Cc1ccccc1COC(=O)c1ccccc1Nc1ccccc1 ZINC000006616114 564094496 /nfs/dbraw/zinc/09/44/96/564094496.db2.gz INYJJFUABKIOLC-UHFFFAOYSA-N 0 0 328.371 4.659 40 30 EJEBRN C=CCOc1c(Br)cc(CNc2ccccc2)cc1OC ZINC000237287441 564119979 /nfs/dbraw/zinc/11/99/79/564119979.db2.gz OOONUDUCRUHHIQ-UHFFFAOYSA-N 0 0 348.240 4.635 40 30 EJEBRN Cc1cc(C=NNc2nc3ccccc3[nH]2)c(C)n1-c1cccc(C)c1 ZINC000006315314 564125834 /nfs/dbraw/zinc/12/58/34/564125834.db2.gz IQNFCWGFUPPATF-LPYMAVHISA-N 0 0 343.434 4.725 40 30 EJEBRN CCc1cccc2c(C#N)cn(CCCOc3ccccc3OC)c21 ZINC000006945266 564126261 /nfs/dbraw/zinc/12/62/61/564126261.db2.gz QUNDTDDBZXFUHT-UHFFFAOYSA-N 0 0 334.419 4.553 40 30 EJEBRN CCOc1cc(/C=N/c2ccc(OC)cc2)cc(Cl)c1OCC ZINC000006959680 564126341 /nfs/dbraw/zinc/12/63/41/564126341.db2.gz BDOVBCOITHYPAQ-UDWIEESQSA-N 0 0 333.815 4.897 40 30 EJEBRN C#CCOc1ccc(/C=N/c2cc(Cl)ccc2C)cc1OCC ZINC000006960557 564126379 /nfs/dbraw/zinc/12/63/79/564126379.db2.gz STEILBBEYUXHJB-FYJGNVAPSA-N 0 0 327.811 4.810 40 30 EJEBRN C#CCOc1c(Cl)cc(/C=N/c2ccc(OC)cc2)cc1Cl ZINC000008116401 564127128 /nfs/dbraw/zinc/12/71/28/564127128.db2.gz NKWCFBDDNCSUCG-RGVLZGJSSA-N 0 0 334.202 4.765 40 30 EJEBRN Cc1cc(/C=N/c2ccc(F)c(C)c2)c(C)n1NC(=O)c1ccccc1 ZINC000008336288 564127265 /nfs/dbraw/zinc/12/72/65/564127265.db2.gz JIZWNLUEHMCVCR-YDZHTSKRSA-N 0 0 349.409 4.687 40 30 EJEBRN C#CCOc1ccc(Br)cc1/C=N/c1ccc(C)cc1C ZINC000008368547 564127325 /nfs/dbraw/zinc/12/73/25/564127325.db2.gz WYANYZKIKQBBMA-UDWIEESQSA-N 0 0 342.236 4.829 40 30 EJEBRN Cc1cc(/C=N/NCc2ccccc2Cl)c(C)n1-c1ccccc1 ZINC000008811661 564127590 /nfs/dbraw/zinc/12/75/90/564127590.db2.gz UALUUBRFOCPLKQ-OEAKJJBVSA-N 0 0 337.854 4.871 40 30 EJEBRN Cc1cc(/C=N/NCc2ccc(Cl)cc2)c(C)n1-c1ccccc1 ZINC000010118933 564127687 /nfs/dbraw/zinc/12/76/87/564127687.db2.gz UZTRRAKQTCSEGI-OEAKJJBVSA-N 0 0 337.854 4.871 40 30 EJEBRN CCCn1cc(/C=N/NCc2ccc(Cl)cc2)c2ccccc21 ZINC000010119147 564127713 /nfs/dbraw/zinc/12/77/13/564127713.db2.gz GGMKLXOGTQVYNX-LPYMAVHISA-N 0 0 325.843 4.828 40 30 EJEBRN CCCCC(=O)Nc1cccc(/N=C/c2cc(Cl)ccc2O)c1 ZINC000006396834 564129830 /nfs/dbraw/zinc/12/98/30/564129830.db2.gz DOHLOBDCARNDAP-UDWIEESQSA-N 0 0 330.815 4.925 40 30 EJEBRN Cc1cc(C)c2nc(SCC(=O)c3ccccc3)c(C#N)cc2c1 ZINC000000410668 564133172 /nfs/dbraw/zinc/13/31/72/564133172.db2.gz NBBUVZJRCAISIC-UHFFFAOYSA-N 0 0 332.428 4.698 40 30 EJEBRN Cc1sc(NC(=O)c2ccc(OCC(C)C)cc2)c(C#N)c1C ZINC000009142090 564134238 /nfs/dbraw/zinc/13/42/38/564134238.db2.gz VYGHENPDPFYBOZ-UHFFFAOYSA-N 0 0 328.437 4.524 40 30 EJEBRN Cc1cc(/C=N\O)cc(C)c1OC(=O)c1ccc(C(C)(C)C)cc1 ZINC000256053469 564134737 /nfs/dbraw/zinc/13/47/37/564134737.db2.gz ROKQIHNXGIRJFF-MTJSOVHGSA-N 0 0 325.408 4.628 40 30 EJEBRN CCCOc1ccc(NC(=O)C2(c3ccccc3)CCCC2)cc1C#N ZINC000225675831 564146724 /nfs/dbraw/zinc/14/67/24/564146724.db2.gz WKOAVTZKPFKORM-UHFFFAOYSA-N 0 0 348.446 4.798 40 30 EJEBRN C=C1C[C@H]2[C@@H]3CC[C@H](OC(C)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12 ZINC000004727030 210261330 /nfs/dbraw/zinc/26/13/30/210261330.db2.gz PNUPHAWFSSBOAI-RLZRBERESA-N 0 0 342.479 4.616 40 30 EJEBRN CC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000004683378 210246329 /nfs/dbraw/zinc/24/63/29/210246329.db2.gz GNFABWAPJFOZSF-PFOMDNQCSA-N 0 0 328.496 4.970 40 30 EJEBRN COc1ccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc1OC ZINC000004582810 210225954 /nfs/dbraw/zinc/22/59/54/210225954.db2.gz OPWBAPVDPXWZRK-XVNBXDOJSA-N 0 0 337.202 4.907 40 30 EJEBRN CCCCCCCCNc1ncnc2sc(C(=O)OCC)c(C)c21 ZINC000101460972 219127939 /nfs/dbraw/zinc/12/79/39/219127939.db2.gz KAQWLUHRGGSSBS-UHFFFAOYSA-N 0 0 349.500 4.949 40 30 EJEBRN COc1ccc(/N=C2/c3cc(C)cc4c3N(C2=O)C(C)(C)C[C@H]4C)cc1 ZINC000101835197 219166690 /nfs/dbraw/zinc/16/66/90/219166690.db2.gz GPQWNWCVMCGTIT-GYXJVLCKSA-N 0 0 348.446 4.757 40 30 EJEBRN Cc1ccc(/N=C2\C(=O)N3c4c2c(C)ccc4C(C)=CC3(C)C)cc1 ZINC000101835178 219167285 /nfs/dbraw/zinc/16/72/85/219167285.db2.gz FVDCXZAINCFVON-NMWGTECJSA-N 0 0 330.431 4.966 40 30 EJEBRN C/C(=N\c1ccc(Br)cc1)c1cc2ccccc2oc1=O ZINC000068601513 215321481 /nfs/dbraw/zinc/32/14/81/215321481.db2.gz HUILAPVHQYKBQT-YBFXNURJSA-N 0 0 342.192 4.696 40 30 EJEBRN CN(C)c1ccc(/C=N\c2ccc3c(c2)C(=O)c2ccccc2-3)cc1 ZINC000104322070 219374194 /nfs/dbraw/zinc/37/41/94/219374194.db2.gz MGFJXWXZOGVARQ-UCQKPKSFSA-N 0 0 326.399 4.715 40 30 EJEBRN CCCCCCCC[C@]1(C)N=C(c2ccccc2)C(OC)(OC)N1O ZINC000104476040 219388061 /nfs/dbraw/zinc/38/80/61/219388061.db2.gz LUAQTTAOWRCYLB-LJQANCHMSA-N 0 0 347.479 4.550 40 30 EJEBRN Cc1cccc(-n2nc(-c3ccc(Cl)cc3Cl)c(C#N)c2N)c1 ZINC000039955321 213245669 /nfs/dbraw/zinc/24/56/69/213245669.db2.gz ZGAGTNQOMUDYNO-UHFFFAOYSA-N 0 0 343.217 4.608 40 30 EJEBRN COc1ccc(/C=N/c2sc3c(c2C#N)CC[C@H](C)C3)c(OC)c1 ZINC000000411701 209575236 /nfs/dbraw/zinc/57/52/36/209575236.db2.gz MXNJQCNOKBJBFU-OVMKCGGTSA-N 0 0 340.448 4.512 40 30 EJEBRN C#CCOC(=O)c1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1 ZINC000073633991 202369476 /nfs/dbraw/zinc/36/94/76/202369476.db2.gz URBNTPPSPKUSJG-UHFFFAOYSA-N 0 0 346.169 4.592 40 30 EJEBRN C(=N/c1ccc2c(c1)OCCO2)\c1ccc(OCc2ccccc2)cc1 ZINC000000062195 209395462 /nfs/dbraw/zinc/39/54/62/209395462.db2.gz ORCKNJZAGDASQB-HZHRSRAPSA-N 0 0 345.398 4.787 40 30 EJEBRN CC(C)(C)c1nc(C#N)c(Sc2ccc(Br)cc2)o1 ZINC000027529819 212561700 /nfs/dbraw/zinc/56/17/00/212561700.db2.gz PUBBZBVOSAZKKJ-UHFFFAOYSA-N 0 0 337.242 4.757 40 30 EJEBRN C=CCOC(=O)c1ccc2oc(-c3cccc4ccccc43)nc2c1 ZINC000216793482 241213347 /nfs/dbraw/zinc/21/33/47/241213347.db2.gz OQWNLHNDVBKYCA-UHFFFAOYSA-N 0 0 329.355 4.991 40 30 EJEBRN C#CCOC(=O)c1ccc2oc(-c3ccc(Cl)cc3Cl)nc2c1 ZINC000216792494 241213588 /nfs/dbraw/zinc/21/35/88/241213588.db2.gz OAGJQNDWRACQQS-UHFFFAOYSA-N 0 0 346.169 4.592 40 30 EJEBRN C=CCOC(=O)/C=C/c1cccc(OCc2ccc(Cl)cc2)c1 ZINC000216895570 241216859 /nfs/dbraw/zinc/21/68/59/241216859.db2.gz VYTIANVICOENLS-DHZHZOJOSA-N 0 0 328.795 4.661 40 30 EJEBRN C=CCOC(=O)/C=C/c1cccc(OCc2ccc(F)cc2Cl)c1 ZINC000216896215 241217314 /nfs/dbraw/zinc/21/73/14/241217314.db2.gz YSNJZRGCJNCKBP-RMKNXTFCSA-N 0 0 346.785 4.801 40 30 EJEBRN C=CCOC(=O)/C=C/c1ccc(OCc2ccccc2F)c(Cl)c1 ZINC000216889077 241217776 /nfs/dbraw/zinc/21/77/76/241217776.db2.gz GCLSQWVSWGZWKY-CSKARUKUSA-N 0 0 346.785 4.801 40 30 EJEBRN N#Cc1cc(Cl)c(OCc2ccccc2F)c(Br)c1 ZINC000216910967 241220515 /nfs/dbraw/zinc/22/05/15/241220515.db2.gz CEXWHUCYJKJGRO-UHFFFAOYSA-N 0 0 340.579 4.692 40 30 EJEBRN C#CCOC(=O)c1cc(-c2ccc3ccccc3c2)nc2ccccc21 ZINC000216941508 241224722 /nfs/dbraw/zinc/22/47/22/241224722.db2.gz GENVRGMYXKIPAB-UHFFFAOYSA-N 0 0 337.378 4.845 40 30 EJEBRN c1ccc(COc2cc(OCc3ccccc3)cc([C@H]3CO3)c2)cc1 ZINC000022052432 212274104 /nfs/dbraw/zinc/27/41/04/212274104.db2.gz IXYYQIMVOHFSDN-JOCHJYFZSA-N 0 0 332.399 4.916 40 30 in-vitro EJEBRN C=CCOc1cccc(NC(=O)c2ccccc2SCC=C)c1 ZINC000219808122 241412170 /nfs/dbraw/zinc/41/21/70/241412170.db2.gz UVAZGUUISONQCG-UHFFFAOYSA-N 0 0 325.433 4.782 40 30 EJEBRN CCCC[C@](C)(OCC)C(=O)Nc1ccc(O[C@@H](C)CC)cc1C#N ZINC000225825728 242052382 /nfs/dbraw/zinc/05/23/82/242052382.db2.gz RMALFZZZURZVOU-YWZLYKJASA-N 0 0 346.471 4.659 40 30 EJEBRN CCCCOc1ccc(NC(=O)[C@@](C)(CCC)OCCC)c(C#N)c1 ZINC000225842899 242059171 /nfs/dbraw/zinc/05/91/71/242059171.db2.gz XUQSTMQTOOKHFP-HXUWFJFHSA-N 0 0 346.471 4.661 40 30 EJEBRN N#Cc1cc(N)c(Oc2cccc(Cl)c2)n1Cc1ccccc1F ZINC000225881942 242069574 /nfs/dbraw/zinc/06/95/74/242069574.db2.gz OMUNIGSDVTYWCX-UHFFFAOYSA-N 0 0 341.773 4.575 40 30 EJEBRN Cc1ccc(Oc2c(N)cc(C#N)n2Cc2ccccc2C)cc1C ZINC000225885789 242071607 /nfs/dbraw/zinc/07/16/07/242071607.db2.gz KCJQQFKOPZWVCU-UHFFFAOYSA-N 0 0 331.419 4.708 40 30 EJEBRN Cc1cccc(Cn2c(C#N)cc(N)c2Oc2ccc(C)c(C)c2)c1 ZINC000225885812 242071715 /nfs/dbraw/zinc/07/17/15/242071715.db2.gz ATDFLZVKRNHNAO-UHFFFAOYSA-N 0 0 331.419 4.708 40 30 EJEBRN Cc1ccc(Sc2c(N)cc(C#N)n2Cc2cccc(F)c2)cc1 ZINC000225888562 242071914 /nfs/dbraw/zinc/07/19/14/242071914.db2.gz BPNPFHXLUVDGEF-UHFFFAOYSA-N 0 0 337.423 4.589 40 30 EJEBRN Cc1ccc(Cn2c(C#N)cc(N)c2Oc2ccc(C)c(C)c2)cc1 ZINC000225885835 242072213 /nfs/dbraw/zinc/07/22/13/242072213.db2.gz HAUAWQUTRYISID-UHFFFAOYSA-N 0 0 331.419 4.708 40 30 EJEBRN CCOc1ccc(NC(=O)C2(c3ccccc3)CCCCC2)cc1C#N ZINC000225755811 242020788 /nfs/dbraw/zinc/02/07/88/242020788.db2.gz PAWHBVJKCCGJIY-UHFFFAOYSA-N 0 0 348.446 4.798 40 30 EJEBRN COc1ccc(NC(=O)C2(c3cccc(C)c3)CCCCC2)c(C#N)c1 ZINC000225758994 242021430 /nfs/dbraw/zinc/02/14/30/242021430.db2.gz CWHJNWXOGYZVLV-UHFFFAOYSA-N 0 0 348.446 4.716 40 30 EJEBRN N#Cc1cn(C(=O)COc2ccc(Cl)cc2Cl)c2ccccc12 ZINC000226362147 242101832 /nfs/dbraw/zinc/10/18/32/242101832.db2.gz BUDZNRSTGGBIPW-UHFFFAOYSA-N 0 0 345.185 4.539 40 30 EJEBRN COc1c(Cl)cc(C(=O)n2cc(C#N)c3ccccc32)cc1Cl ZINC000226361629 242102474 /nfs/dbraw/zinc/10/24/74/242102474.db2.gz USPAJNHLPATRJA-UHFFFAOYSA-N 0 0 345.185 4.517 40 30 EJEBRN C=CCOc1ccc(NC(=O)[C@@H](C)Oc2ccccc2C(C)C)cc1 ZINC000020460959 212133976 /nfs/dbraw/zinc/13/39/76/212133976.db2.gz IYGVYFFUTSXCRY-MRXNPFEDSA-N 0 0 339.435 4.781 40 30 EJEBRN C[C@H]1CCc2c(C#N)c(NC(=O)CSc3cccs3)sc2C1 ZINC000261527081 244597799 /nfs/dbraw/zinc/59/77/99/244597799.db2.gz YSGXEVCDUNDRFY-JTQLQIEISA-N 0 0 348.518 4.537 40 30 EJEBRN Cc1ccccc1NC(=C1C(=O)c2ccccc2C1=O)c1ccccc1 ZINC000102180805 204033291 /nfs/dbraw/zinc/03/32/91/204033291.db2.gz ZCLPAQYHDXAQFS-FLFQWRMESA-N 0 0 339.394 4.811 40 30 EJEBRN CCCCCCCCCCCCCCNC(=O)[C@@H](C)OC(C)=O ZINC000104394543 204108351 /nfs/dbraw/zinc/10/83/51/204108351.db2.gz RHIOEWRDQLPMFZ-QGZVFWFLSA-N 0 0 327.509 4.755 40 30 EJEBRN CCc1ccc(/N=C2\CCCN2C(=O)Nc2cccc(OC)c2)cc1 ZINC000016778103 211934320 /nfs/dbraw/zinc/93/43/20/211934320.db2.gz BURRBRFZQOBQRE-XUTLUUPISA-N 0 0 337.423 4.616 40 30 EJEBRN C=CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CC2)cc1 ZINC000225940888 205107125 /nfs/dbraw/zinc/10/71/25/205107125.db2.gz IJADDQAXZDSBSG-UHFFFAOYSA-N 0 0 327.811 4.575 40 30 EJEBRN Cc1ccc(/N=C2/S/C(=C/c3c[nH]c4ccccc34)C(=O)N2C)cc1 ZINC000100233588 206222367 /nfs/dbraw/zinc/22/23/67/206222367.db2.gz NQNOUNZRISKNFT-HZMZRVLWSA-N 0 0 347.443 4.710 40 30 EJEBRN CCCCCCCCCCCC(=O)N[C@@H](O)C(Cl)(Cl)Cl ZINC000100498117 206244406 /nfs/dbraw/zinc/24/44/06/206244406.db2.gz BJYSIXLXMKLCCR-ZDUSSCGKSA-N 0 0 346.726 4.712 40 30 EJEBRN C=CCON=Cc1cc(NC(=S)c2ccoc2C)ccc1Cl ZINC000013474504 211565021 /nfs/dbraw/zinc/56/50/21/211565021.db2.gz DJSIDTVOVQBTCC-VCHYOVAHSA-N 0 0 334.828 4.786 40 30 EJEBRN COc1ccccc1-c1cc(-c2ccc(C)cc2)[nH]c(=S)c1C#N ZINC000013424482 211556212 /nfs/dbraw/zinc/55/62/12/211556212.db2.gz HZLXHDOUNGKLAZ-UHFFFAOYSA-N 0 0 332.428 4.893 40 30 EJEBRN COc1ccc(Cl)cc1/C=N/NCc1c(Cl)cccc1Cl ZINC000009196789 211051528 /nfs/dbraw/zinc/05/15/28/211051528.db2.gz QCEFNHQYPROTGR-UFWORHAWSA-N 0 0 343.641 4.779 40 30 EJEBRN CCc1nc(SCCCC(=O)c2cccs2)c(C#N)cc1C ZINC000008783547 211006757 /nfs/dbraw/zinc/00/67/57/211006757.db2.gz ODQSSEMRLQSWTB-UHFFFAOYSA-N 0 0 330.478 4.641 40 30 EJEBRN C=CCOc1cc2c(cc1[C@@H](C)c1ccc(OCCC)cc1)OCO2 ZINC000005785304 210536292 /nfs/dbraw/zinc/53/62/92/210536292.db2.gz HKGGVDSNYSWUCQ-HNNXBMFYSA-N 0 0 340.419 4.921 40 30 EJEBRN CCCCc1ccc(/N=C2/NC(=O)/C(=C\c3cccs3)S2)cc1 ZINC000005376759 210451572 /nfs/dbraw/zinc/45/15/72/210451572.db2.gz CVROSMROYVFAMO-FOWTUZBSSA-N 0 0 342.489 4.982 40 30 EJEBRN CC(C)C1=CC2=CC[C@H]3[C@](C)(C(N)=O)CCC[C@]3(C)[C@@H]2C[C@@H]1CC#N ZINC000005022277 210365819 /nfs/dbraw/zinc/36/58/19/210365819.db2.gz GCVOAWDIEGWPIT-CSTLSCDQSA-N 0 0 340.511 4.747 40 30 EJEBRN CCN(CC)c1ccc(C=[NH+][N-]c2cc(C)nc3ccccc23)cc1 ZINC000005006927 210358584 /nfs/dbraw/zinc/35/85/84/210358584.db2.gz KXINCHAAEYARAW-PXLXIMEGSA-N 0 0 332.451 4.835 40 30 EJEBRN COc1cc(C(C)=NNc2ccc(C)c(Cl)c2)cc(OC)c1OC ZINC000004921773 210323869 /nfs/dbraw/zinc/32/38/69/210323869.db2.gz UQFMEMNOCXQREF-UDWIEESQSA-N 0 0 348.830 4.510 40 30 EJEBRN CCC(=O)O[C@@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C ZINC000118917757 221203351 /nfs/dbraw/zinc/20/33/51/221203351.db2.gz YGMDGLJSAVHRSV-ATXQXWCPSA-N 0 0 344.495 4.696 40 30 EJEBRN C[C@]12CC[C@H]3[C@@H](CC[C@H]4CCCC[C@@]43C)[C@@H]1CC/C2=N\NC(N)=S ZINC000118916199 221203671 /nfs/dbraw/zinc/20/36/71/221203671.db2.gz OXZJZRQUDLKMGF-SUZMPZLHSA-N 0 0 347.572 4.608 40 30 EJEBRN C[C@H](O)[C@H]1CC[C@H]2[C@@H]3CCC4=C/C(=N\O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118928280 221205207 /nfs/dbraw/zinc/20/52/07/221205207.db2.gz TXNRRTVCPLKVLB-QJUWQVQLSA-N 0 0 331.500 4.776 40 30 EJEBRN CC(=O)[C@H]1CC[C@H]2[C@@H]3[C@@H](C)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118929510 221205260 /nfs/dbraw/zinc/20/52/60/221205260.db2.gz ZJTSNYHPKIGSEQ-TYGQNADFSA-N 0 0 328.496 4.970 40 30 EJEBRN CCN1C(=O)/C(=C\c2ccccc2C)S/C1=N/c1ccc(F)cc1 ZINC000409236159 257873595 /nfs/dbraw/zinc/87/35/95/257873595.db2.gz DOHBVVMUBHULBE-HWWZFDGNSA-N 0 0 340.423 4.758 40 30 EJEBRN C#CCOc1c(Cl)cc(/C=N/c2ccc(C)c(C)c2)cc1OC ZINC000409215926 257874474 /nfs/dbraw/zinc/87/44/74/257874474.db2.gz CFAFPPYAPSDBHD-CIAFOILYSA-N 0 0 327.811 4.728 40 30 EJEBRN C#CCOc1c(Cl)cc(CNc2ccc(C)c(C)c2)cc1OC ZINC000409115757 257878564 /nfs/dbraw/zinc/87/85/64/257878564.db2.gz HAIGRFSGMUPJNM-UHFFFAOYSA-N 0 0 329.827 4.590 40 30 EJEBRN C#CCOc1c(Cl)cc(CNc2ccccc2CC)cc1OC ZINC000409112442 257878683 /nfs/dbraw/zinc/87/86/83/257878683.db2.gz CUCPHEMIRILWPI-UHFFFAOYSA-N 0 0 329.827 4.535 40 30 EJEBRN C=CCc1cc(CO)cc(OCC)c1OCc1ccccc1Cl ZINC000409112051 257878804 /nfs/dbraw/zinc/87/88/04/257878804.db2.gz BQBSBONOKMZEPA-UHFFFAOYSA-N 0 0 332.827 4.539 40 30 EJEBRN COc1ccc(Cl)cc1/N=C/c1cc([N+](=O)[O-])ccc1Cl ZINC000409098260 257880031 /nfs/dbraw/zinc/88/00/31/257880031.db2.gz OZLGXLVMIRPYSQ-CAOOACKPSA-N 0 0 325.151 4.661 40 30 EJEBRN CCOc1ccc2ccccc2c1/C=C1\C(=O)ON=C1c1ccccc1 ZINC000409084750 257880692 /nfs/dbraw/zinc/88/06/92/257880692.db2.gz WAVLBBCYJVKHOA-RGEXLXHISA-N 0 0 343.382 4.583 40 30 EJEBRN CCn1cc(CN=Nc2ccc(C(F)(F)F)cn2)c2ccccc21 ZINC000409074210 257881166 /nfs/dbraw/zinc/88/11/66/257881166.db2.gz PKJXKWYTUARICV-LSFURLLWSA-N 0 0 332.329 4.521 40 30 EJEBRN CC(N=Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccccc1 ZINC000409052287 257881549 /nfs/dbraw/zinc/88/15/49/257881549.db2.gz JEIPQKFVEMYGDJ-XDHOZWIPSA-N 0 0 338.392 4.554 40 30 EJEBRN CC(C)(C)c1ccc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)cc1 ZINC000409034779 257881821 /nfs/dbraw/zinc/88/18/21/257881821.db2.gz OCZIUAKGAUTDJM-UYOCIXKTSA-N 0 0 344.274 4.698 40 30 EJEBRN CCCCCCCCNC(=O)c1ccc2nc3ccccc3nc2c1 ZINC000408974314 257885098 /nfs/dbraw/zinc/88/50/98/257885098.db2.gz DZTSPFLLTJDJQR-UHFFFAOYSA-N 0 0 335.451 4.873 40 30 EJEBRN COc1ccc(-n2c(C)cc(/C=N/c3ccc4c(c3)OCO4)c2C)cc1 ZINC000408911814 257886513 /nfs/dbraw/zinc/88/65/13/257886513.db2.gz ONYCRMKEYGHZLK-WSDLNYQXSA-N 0 0 348.402 4.582 40 30 EJEBRN O=[N+]([O-])c1ccc(/N=C\c2cccn2-c2ccc(Cl)cc2)cc1 ZINC000408859488 257887038 /nfs/dbraw/zinc/88/70/38/257887038.db2.gz XFVKVHIOVJXSNQ-UNOMPAQXSA-N 0 0 325.755 4.790 40 30 EJEBRN C=CCOc1cccc(CN=Nc2nc(-c3ccccc3)cs2)c1 ZINC000408736891 257889878 /nfs/dbraw/zinc/88/98/78/257889878.db2.gz BPBBSSYKEOBPEV-DEDYPNTBSA-N 0 0 335.432 4.821 40 30 EJEBRN CC(=O)Nc1ccc(/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)cc1 ZINC000408738265 257890012 /nfs/dbraw/zinc/89/00/12/257890012.db2.gz TUDYUEAVJUYQLW-YDZHTSKRSA-N 0 0 349.409 4.942 40 30 EJEBRN C=CCOc1ccc(C(=O)Nc2c(C)cccc2C)cc1OCC ZINC000408616868 257894085 /nfs/dbraw/zinc/89/40/85/257894085.db2.gz AHQJSVMSVRMGBG-UHFFFAOYSA-N 0 0 325.408 4.519 40 30 EJEBRN C=CC[C@]1(O)CC[C@@H]2[C@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000245238854 258005430 /nfs/dbraw/zinc/00/54/30/258005430.db2.gz BQXKIYVBCVCFAZ-XYXVJEPDSA-N 0 0 332.528 4.697 40 30 EJEBRN CCCCCCCNS(=O)(=O)c1cccc2c(Cl)cccc21 ZINC000002169917 258049671 /nfs/dbraw/zinc/04/96/71/258049671.db2.gz MJMJERJFCHYXEM-UHFFFAOYSA-N 0 0 339.888 4.742 40 30 aggregator,in-vitro EJEBRN C(=NN=c1[nH]c2ccccc2[nH]1)c1ccccc1OCc1ccccc1 ZINC000003902923 518377324 /nfs/dbraw/zinc/37/73/24/518377324.db2.gz XVYURBUIQDMTTN-HYARGMPZSA-N 0 0 342.402 4.588 40 30 EJEBRN C=CCC/C=C/C#CCCCCCCCC[C@H]1C(=O)O[C@H](C)[C@@H]1O ZINC000031165197 518688231 /nfs/dbraw/zinc/68/82/31/518688231.db2.gz XVTXMBZTDMASHY-JCHUFIKGSA-N 0 0 332.484 4.555 40 30 biogenic,in-vitro EJEBRN C=CCc1cc(C(=O)N[C@@H](C)c2cc(C)c(C)cc2C)ccc1OC ZINC000223441090 534410422 /nfs/dbraw/zinc/41/04/22/534410422.db2.gz NBPYCXUBPPFXOZ-KRWDZBQOSA-N 0 0 337.463 4.840 40 30 EJEBRN CC(C)C(=O)Nc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1 ZINC000018051483 519516940 /nfs/dbraw/zinc/51/69/40/519516940.db2.gz LNWNDPBUBQYXGR-LFYBBSHMSA-N 0 0 327.811 4.831 40 30 EJEBRN COc1c(/C=C/C(=O)c2ccc(O)cc2)ccc(O)c1CC=C(C)C ZINC000014819151 521774416 /nfs/dbraw/zinc/77/44/16/521774416.db2.gz WBDNTJSRHDSPSR-KPKJPENVSA-N 0 0 338.403 4.511 40 30 biogenic,in-vitro EJEBRN CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(CC#N)cc1 ZINC000020038280 522878294 /nfs/dbraw/zinc/87/82/94/522878294.db2.gz NCKXIASRAPNGQZ-NRFANRHFSA-N 0 0 344.414 4.702 40 30 EJEBRN COc1ccc(/C(=N/N=C(\c2ccc(OC)cc2)C2CC2)C2CC2)cc1 ZINC000018129284 523357575 /nfs/dbraw/zinc/35/75/75/523357575.db2.gz WJIJXVOUYCVYJC-MMUCEYJRSA-N 0 0 348.446 4.717 40 30 EJEBRN CCc1ccc(-c2csc(N=NCc3cccc(OC)c3)n2)cc1 ZINC000004957145 523857147 /nfs/dbraw/zinc/85/71/47/523857147.db2.gz LQSBZXNFZVDGDM-UDWIEESQSA-N 0 0 337.448 4.827 40 30 EJEBRN COc1ccc(OC)c(S/C=C/C(=O)c2ccc(Cl)cc2)c1 ZINC000016215589 524880862 /nfs/dbraw/zinc/88/08/62/524880862.db2.gz MTKXHTPDTDZJAY-MDZDMXLPSA-N 0 0 334.824 4.846 40 30 EJEBRN C[C@H](C/C=N/N1CCCCC1)Nc1ccnc2cc(Cl)ccc21 ZINC000006442824 526195512 /nfs/dbraw/zinc/19/55/12/526195512.db2.gz VIJKAUNKFZAHMN-YVJZOELXSA-N 0 0 330.863 4.550 40 30 EJEBRN N#CCc1ccc(NC(=O)CCCSc2ccc(Cl)cc2)cc1 ZINC000015029083 526481381 /nfs/dbraw/zinc/48/13/81/526481381.db2.gz ISGBOGBQOFURFG-UHFFFAOYSA-N 0 0 344.867 4.917 40 30 EJEBRN O=S(=O)(O[C@H]1C[C@@]12CCCC[C@@H]2c1ccccc1)c1ccccc1 ZINC000005734703 527260439 /nfs/dbraw/zinc/26/04/39/527260439.db2.gz CQJLGYWTXRMZGF-HSALFYBXSA-N 0 0 342.460 4.508 40 30 EJEBRN O=[N+]([O-])c1ccc(NN=Cc2ccccc2OCc2ccccc2)cc1 ZINC000033391540 527360806 /nfs/dbraw/zinc/36/08/06/527360806.db2.gz PSPSFJNGPLNVJT-STZFKDTASA-N 0 0 347.374 4.620 40 30 EJEBRN CCCCC[C@@](C)(OC)C(=O)Nc1ccc(O[C@H](C)CC)cc1C#N ZINC000225803025 535128462 /nfs/dbraw/zinc/12/84/62/535128462.db2.gz BITQCNZGEAVGEA-FOIQADDNSA-N 0 0 346.471 4.659 40 30 EJEBRN Brc1cc(/C=N/c2ccccc2)oc1Br ZINC000408950930 564008190 /nfs/dbraw/zinc/00/81/90/564008190.db2.gz GWRANGMVYQSDKH-VGOFMYFVSA-N 0 0 328.991 4.555 40 30 EJEBRN CCCC(=NOCC)C1C(=O)CC(C[C@@H](C)SCC)CC1=O ZINC000257351218 564055903 /nfs/dbraw/zinc/05/59/03/564055903.db2.gz CSPPKDPQLUUTND-CHWSQXEVSA-N 0 0 327.490 4.502 40 30 EJEBRN COc1cc(Br)c(/C=N/c2ccc(C)cc2)cc1OC ZINC000008371801 564127332 /nfs/dbraw/zinc/12/73/32/564127332.db2.gz SRTRTLMJNJZNPJ-VCHYOVAHSA-N 0 0 334.213 4.525 40 30 EJEBRN Cc1ccc([C@H]2CCCC[C@@H]2OS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000001706534 563405705 /nfs/dbraw/zinc/40/57/05/563405705.db2.gz HIKGKLNLJZQJOC-UXHICEINSA-N 0 0 344.476 4.735 40 30 EJEBRN CCCCCCCCOc1ccc(Br)cc1/C=N\O ZINC000408540532 563446255 /nfs/dbraw/zinc/44/62/55/563446255.db2.gz SXNYACRFBLQFCF-ATVHPVEESA-N 0 0 328.250 4.997 40 30 EJEBRN O=C(C1=C(O)C(=Cc2ccc(O)c(Cl)c2)CCCC1)C(F)(F)F ZINC000408564389 563480306 /nfs/dbraw/zinc/48/03/06/563480306.db2.gz ZXTUKWVDOMIJKY-XGQUATGFSA-N 0 0 346.732 4.947 40 30 EJEBRN CCC(C)(C)[C@H]1CCC(=O)C(=CNc2ccc(NC(C)=O)cc2)C1 ZINC000408564381 563480350 /nfs/dbraw/zinc/48/03/50/563480350.db2.gz ZUVDAQBCNUVTCL-MDJJKAFGSA-N 0 0 328.456 4.746 40 30 EJEBRN CC1(C)CCC[C@]2(C)[C@H]3C=C4CC(=O)C(=O)C=C4O[C@]3(C)CC[C@H]12 ZINC000003874817 563490171 /nfs/dbraw/zinc/49/01/71/563490171.db2.gz LOCMLXSTDCXZFJ-RMVXJAJNSA-N 0 0 328.452 4.853 40 30 EJEBRN COc1cc(C)c(/C=N/OCc2cccc([N+](=O)[O-])c2)cc1C(C)C ZINC000408592146 563492151 /nfs/dbraw/zinc/49/21/51/563492151.db2.gz LESNUULKRQLZCW-RGVLZGJSSA-N 0 0 342.395 4.586 40 30 EJEBRN Cc1ccc(-n2cccc2/C=N/OCc2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000408592237 563492700 /nfs/dbraw/zinc/49/27/00/563492700.db2.gz LWPMYSSLIVFWFH-FYJGNVAPSA-N 0 0 349.390 4.553 40 30 EJEBRN Cc1cc(C=NNc2ccccc2)c(C)n1-c1cc([N+](=O)[O-])ccc1C ZINC000408592379 563492723 /nfs/dbraw/zinc/49/27/23/563492723.db2.gz XXPJOYLPLVEEFQ-FYJGNVAPSA-N 0 0 348.406 4.757 40 30 EJEBRN C=CCOc1ccc(Br)cc1/C=C/C(=O)c1ccccc1 ZINC000408619025 563499095 /nfs/dbraw/zinc/49/90/95/563499095.db2.gz FPEOXEHNGCWEOV-CSKARUKUSA-N 0 0 343.220 4.910 40 30 EJEBRN Cc1ccc(C(C)N=Nc2ncnc3sc4c(c32)CCCC4)cc1 ZINC000005003829 563518603 /nfs/dbraw/zinc/51/86/03/563518603.db2.gz MWXXCIGNQDONGE-LPYMAVHISA-N 0 0 336.464 4.715 40 30 EJEBRN C[C@H](C/C=N\N1CCCCC1)Nc1ccnc2cc(Cl)ccc21 ZINC000005179574 563522138 /nfs/dbraw/zinc/52/21/38/563522138.db2.gz VIJKAUNKFZAHMN-YYLUKMIBSA-N 0 0 330.863 4.550 40 30 EJEBRN Cc1ccc(C2N=NC(=S)N2N=Cc2ccc3ccccc3c2)cc1 ZINC000005417072 563531991 /nfs/dbraw/zinc/53/19/91/563531991.db2.gz NEMIWCRRDJFRTC-FYJGNVAPSA-N 0 0 344.443 4.578 40 30 EJEBRN CC(=O)O[C@H]1CC[C@H]2[C@H]3C[C@@]4(C)C(=O)C=CCC[C@]4(C)[C@@H]3CC[C@]12C ZINC000006293924 563564519 /nfs/dbraw/zinc/56/45/19/563564519.db2.gz NOXYBWYMMIPAGH-PVHSXGAPSA-N 0 0 344.495 4.696 40 30 EJEBRN CCn1c(C)c(C=NNc2nc3ccccc3n2CC)c2ccccc21 ZINC000408692196 563572621 /nfs/dbraw/zinc/57/26/21/563572621.db2.gz GVKJHGHIMJCBDK-HYARGMPZSA-N 0 0 345.450 4.785 40 30 EJEBRN CCCCCCCCCNC(=O)C(=O)Nc1ccccc1C(C)C ZINC000408708137 563596021 /nfs/dbraw/zinc/59/60/21/563596021.db2.gz HBEVETZWCVBDNJ-UHFFFAOYSA-N 0 0 332.488 4.615 40 30 EJEBRN Cc1[nH]c2ccccc2c1/C=C1\SC(=Nc2ccccc2C)NC1=O ZINC000408720826 563618644 /nfs/dbraw/zinc/61/86/44/563618644.db2.gz DYPAUQILSGULSA-WQRHYEAKSA-N 0 0 347.443 4.676 40 30 EJEBRN Cc1cc(/C=N/c2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(F)cc1 ZINC000408738466 563635640 /nfs/dbraw/zinc/63/56/40/563635640.db2.gz XWZXMFAOVGJFFI-CIAFOILYSA-N 0 0 337.354 4.892 40 30 EJEBRN COC(=O)c1cccc(/N=C/c2cc(C)n(-c3ccc(C)cc3)c2C)c1 ZINC000408739202 563639169 /nfs/dbraw/zinc/63/91/69/563639169.db2.gz TVUFHGYEVYNUBS-OEAKJJBVSA-N 0 0 346.430 4.940 40 30 EJEBRN Cc1ccc(/C=C2\SC(=Nc3cccc(Cl)c3C)NC2=O)cc1 ZINC000408739496 563639500 /nfs/dbraw/zinc/63/95/00/563639500.db2.gz WVSAKEBWXLBRAA-YBEGLDIGSA-N 0 0 342.851 4.848 40 30 EJEBRN Fc1ccc(/N=C/c2nnn(-c3ccccc3)c2-c2ccccc2)cc1 ZINC000016492121 563813575 /nfs/dbraw/zinc/81/35/75/563813575.db2.gz YSCJVJUQCHGZGZ-HZHRSRAPSA-N 0 0 342.377 4.824 40 30 EJEBRN CCC/C(=N\OCC)C1=C(OC)C[C@H](C[C@@H](C)SCC)CC1=O ZINC000016611450 563817799 /nfs/dbraw/zinc/81/77/99/563817799.db2.gz MLOOJBXIFOAJIX-BGRSTHORSA-N 0 0 341.517 4.590 40 30 EJEBRN Oc1ccccc1/C=N/N=c1c2ccccc2sc2ccccc21 ZINC000016922721 563825998 /nfs/dbraw/zinc/82/59/98/563825998.db2.gz MQSAACDQNNFEQD-FYJGNVAPSA-N 0 0 330.412 4.695 40 30 EJEBRN CC(=O)C(N=Nc1ccccc1)C(c1ccccc1)c1ccccc1 ZINC000017286523 563841968 /nfs/dbraw/zinc/84/19/68/563841968.db2.gz DRXXEOAQCCZXBF-ZNTNEXAZSA-N 0 0 328.415 4.876 40 30 EJEBRN CCOC(C/N=C/c1ccc2c(c1)Sc1ccccc1O2)OCC ZINC000018206436 563850957 /nfs/dbraw/zinc/85/09/57/563850957.db2.gz KKZSMHYDHQFAAR-UDWIEESQSA-N 0 0 343.448 4.762 40 30 EJEBRN O=C(C=CNc1ccc(Br)cc1)c1ccc(Cl)cc1 ZINC000032116961 563913546 /nfs/dbraw/zinc/91/35/46/563913546.db2.gz QIUPJXVQDAIJHT-MDZDMXLPSA-N 0 0 336.616 4.911 40 30 EJEBRN C[C@@H]1C[C@H](C(=O)N[C@H](COc2ccccc2F)C(C)(C)C)CCC1=O ZINC000328990197 563974967 /nfs/dbraw/zinc/97/49/67/563974967.db2.gz SBKUZQVTYIWBPS-HBUWYVDXSA-N 0 0 349.446 4.581 40 30 EJEBRN C=CCOc1ccc(C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)cc1 ZINC000222979377 563976101 /nfs/dbraw/zinc/97/61/01/563976101.db2.gz GVERMTAQFDWRPX-MRXNPFEDSA-N 0 0 335.447 4.621 40 30 EJEBRN CCCCCCCCCCCC(=O)O[C@@H](C)C(=O)NCCCC ZINC000100302537 563982511 /nfs/dbraw/zinc/98/25/11/563982511.db2.gz ISFZOGMBOFWRMU-KRWDZBQOSA-N 0 0 327.509 4.755 40 30 EJEBRN O=C(Cc1ccccc1)C(Cc1ccccc1)=NNc1ccccc1 ZINC000100369439 563982574 /nfs/dbraw/zinc/98/25/74/563982574.db2.gz YOCVIESOCFYSJA-FLFQWRMESA-N 0 0 328.415 4.509 40 30 EJEBRN O=C(C=C(Nc1ccccc1)C(=O)c1ccccc1)c1ccccc1 ZINC000100601285 563982675 /nfs/dbraw/zinc/98/26/75/563982675.db2.gz LPGATJZHJUTVAG-CAPFRKAQSA-N 0 0 327.383 4.748 40 30 EJEBRN CCCCCCCOc1ccc(/C(=N/O)c2ccccc2)c(O)c1 ZINC000100930222 563982824 /nfs/dbraw/zinc/98/28/24/563982824.db2.gz JPGNCOWOSJWDEJ-QZQOTICOSA-N 0 0 327.424 4.968 40 30 EJEBRN CSC(/N=C(/SCc1ccccc1)N(C)C)=N/c1ccccc1 ZINC000102845769 563983282 /nfs/dbraw/zinc/98/32/82/563983282.db2.gz ZSMIAGRBYIUYAJ-XPWSMXQVSA-N 0 0 343.521 4.888 40 30 EJEBRN O=C(C=CC(=NNc1ccccc1)c1ccccc1)c1ccccc1 ZINC000104133861 563983507 /nfs/dbraw/zinc/98/35/07/563983507.db2.gz FYTQJBOKKJMFPY-NYLVADRISA-N 0 0 326.399 4.942 40 30 EJEBRN CC(=O)O[C@@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)C=C(C)[C@]4(C)[C@H]3CC[C@]12C ZINC000118913194 563992460 /nfs/dbraw/zinc/99/24/60/563992460.db2.gz PGAUJQOPTMSERF-JQMNJMKVSA-N 0 0 344.495 4.696 40 30 EJEBRN C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(O)=CC=O ZINC000118935193 563992506 /nfs/dbraw/zinc/99/25/06/563992506.db2.gz FVRSZRQIIWPOJR-IZJLNCRWSA-N 0 0 344.495 4.567 40 30 EJEBRN C=CCSc1ccccc1C(=O)Nc1ccc(N2CCCC2)cc1 ZINC000224928378 563995252 /nfs/dbraw/zinc/99/52/52/563995252.db2.gz GNEPBXWXKSZZRM-UHFFFAOYSA-N 0 0 338.476 4.817 40 30 EJEBRN C=CCOc1ccc(NC(=S)N[C@@H](CC)c2ccccc2)cc1 ZINC000225481633 563995922 /nfs/dbraw/zinc/99/59/22/563995922.db2.gz RYWYTJOZZCXEDM-SFHVURJKSA-N 0 0 326.465 4.689 40 30 EJEBRN CCCCCCCCNS(=O)(=O)c1ccc2c3c(cccc31)CC2 ZINC000226861677 563996145 /nfs/dbraw/zinc/99/61/45/563996145.db2.gz NSBXHVZMDBVRPP-UHFFFAOYSA-N 0 0 345.508 4.577 40 30 EJEBRN N#Cc1ccccc1CSc1ccc(-c2nc3ccccc3[nH]2)cn1 ZINC000001329787 564003212 /nfs/dbraw/zinc/00/32/12/564003212.db2.gz RTTVIJUSAPNIGU-UHFFFAOYSA-N 0 0 342.427 4.789 40 30 EJEBRN COc1ccc(Br)cc1C=NNc1ccccc1Cl ZINC000004921710 564005588 /nfs/dbraw/zinc/00/55/88/564005588.db2.gz VDWRYMWFPUKUDH-RQZCQDPDSA-N 0 0 339.620 4.557 40 30 EJEBRN CCOc1ccc(-n2c(C)cc(C=NNc3ccccc3)c2C)cc1 ZINC000005568911 564006096 /nfs/dbraw/zinc/00/60/96/564006096.db2.gz AKIVUVAVLHCYFV-PXLXIMEGSA-N 0 0 333.435 4.939 40 30 EJEBRN Cc1cc(/C=N\C2CCCCC2)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000408782189 564007245 /nfs/dbraw/zinc/00/72/45/564007245.db2.gz IMECSOOPDBETNE-MOSHPQCFSA-N 0 0 325.412 4.754 40 30 EJEBRN COC(=O)c1ccccc1/N=C\c1cc(C)n(-c2ccccc2)c1C ZINC000408779852 564007258 /nfs/dbraw/zinc/00/72/58/564007258.db2.gz MGOFPYHVSXGFAW-HMAPJEAMSA-N 0 0 332.403 4.631 40 30 EJEBRN Cc1c(/C=N\c2ccc(Br)cc2)c2ccccc2n1C ZINC000408851735 564007557 /nfs/dbraw/zinc/00/75/57/564007557.db2.gz FPARVEWKEYXFRU-ODLFYWEKSA-N 0 0 327.225 5.000 40 30 EJEBRN C=CCc1cc(/C=N\c2cccc(OCC)c2)cc(OCC)c1O ZINC000408855021 564007669 /nfs/dbraw/zinc/00/76/69/564007669.db2.gz CMTQXACQCAOJFN-STZFKDTASA-N 0 0 325.408 4.669 40 30 EJEBRN Cc1cccc(/N=C\c2cc(Br)c(N3CCCC3)o2)c1 ZINC000408855929 564007670 /nfs/dbraw/zinc/00/76/70/564007670.db2.gz HKXSGRLTZGNTKK-WQRHYEAKSA-N 0 0 333.229 4.701 40 30 EJEBRN Cc1ccccc1/N=C\c1cc(Br)c(N2CCCC2)o1 ZINC000408855519 564007673 /nfs/dbraw/zinc/00/76/73/564007673.db2.gz DYCXOCRCFGEMHV-WQRHYEAKSA-N 0 0 333.229 4.701 40 30 EJEBRN CC1=NOC(=O)/C1=C/c1cc(Cl)ccc1OCc1ccc(C)cc1 ZINC000408941746 564008167 /nfs/dbraw/zinc/00/81/67/564008167.db2.gz PPOJCBCFQIZWQA-LICLKQGHSA-N 0 0 341.794 4.544 40 30 EJEBRN CCOC(=O)c1cccc(/N=C\c2ccc(N3CCCC3)cc2C)c1 ZINC000408959894 564008266 /nfs/dbraw/zinc/00/82/66/564008266.db2.gz HQOXKPZOVFGWCB-JCMHNJIXSA-N 0 0 336.435 4.523 40 30 EJEBRN Cc1nn(-c2ccc(C)c(C)c2)c(C)c1C=NNc1ccc(C)cc1 ZINC000408997561 564008719 /nfs/dbraw/zinc/00/87/19/564008719.db2.gz RUUXRDNKGOCGIZ-XKZIYDEJSA-N 0 0 332.451 4.860 40 30 EJEBRN Cc1ccsc1/C=C1\SC(=Nc2cc(C)cc(C)c2)NC1=O ZINC000408994891 564008763 /nfs/dbraw/zinc/00/87/63/564008763.db2.gz HNTXXANSNATBLL-DHDCSXOGSA-N 0 0 328.462 4.565 40 30 EJEBRN CCCCOc1ccc2ccccc2c1CN=Nc1nc(C)cc(C)n1 ZINC000409018681 564008958 /nfs/dbraw/zinc/00/89/58/564008958.db2.gz ICMNGLSSPTXERI-HMAPJEAMSA-N 0 0 348.450 4.872 40 30 EJEBRN O=C(C=CNc1ccc(F)cc1F)c1cccc(Br)c1 ZINC000409060624 564009293 /nfs/dbraw/zinc/00/92/93/564009293.db2.gz VOSDBVOZHUQNCG-VOTSOKGWSA-N 0 0 338.151 4.536 40 30 EJEBRN Fc1ccc(-c2ccc(CN=Nc3ccc(C(F)(F)F)cn3)o2)cc1 ZINC000409092484 564009600 /nfs/dbraw/zinc/00/96/00/564009600.db2.gz YYAYOWSKKPBSRB-AUEPDCJTSA-N 0 0 349.287 4.946 40 30 EJEBRN CC[C@H](C)Oc1ccc(CN=Nc2ccc(C(F)(F)F)cn2)cc1 ZINC000409092499 564009602 /nfs/dbraw/zinc/00/96/02/564009602.db2.gz 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