smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Oc1c(Cl)cc(Cl)cc1/C=N/c1ccc(Nc2ccccc2)cc1 ZINC000000705239 210263096 /nfs/dbraw/zinc/26/30/96/210263096.db2.gz DBYOPSAQYAKIQV-WSDLNYQXSA-N 0 1 357.240 6.193 50 30 FKEAMN Cc1ccc2oc(-c3ccc(/N=C/c4cc(C)ccc4O)cc3O)nc2c1 ZINC000000711436 219316530 /nfs/dbraw/zinc/31/65/30/219316530.db2.gz KPVCSBODJNSAAV-FSJBWODESA-N 0 1 358.397 5.273 50 30 FKEAMN COc1ccc(/N=C/c2c(C)c(Cl)c(C)c(Br)c2O)cc1 ZINC000000712071 570452040 /nfs/dbraw/zinc/45/20/40/570452040.db2.gz LUMOWWKFWBDWGY-UFWORHAWSA-N 0 1 368.658 5.184 50 30 FKEAMN CSc1nc2ccc(/N=C/c3cc(Cl)cc(Cl)c3O)cc2s1 ZINC000000713959 210263817 /nfs/dbraw/zinc/26/38/17/210263817.db2.gz PCRSUCNCNNSBPB-CNHKJKLMSA-N 0 1 369.298 5.781 50 30 FKEAMN O=C1c2ccccc2S/C1=C\c1cc(Cl)cc(Br)c1O ZINC000000755221 219319336 /nfs/dbraw/zinc/31/93/36/219319336.db2.gz OMDDLFFHANHLIZ-MLPAPPSSSA-N 0 1 367.651 5.138 50 30 FKEAMN Clc1ccc(-c2nc3ccc(N=Cc4cccnc4)cc3[nH]2)c(Cl)c1 ZINC000000822273 219326893 /nfs/dbraw/zinc/32/68/93/219326893.db2.gz KEFYANJBUGFOEX-FOKLQQMPSA-N 0 1 367.239 5.682 50 30 FKEAMN Clc1ccc(C=Nc2ccc3nc(-c4ccccc4)[nH]c3c2)c(Cl)c1 ZINC000000847818 570460200 /nfs/dbraw/zinc/46/02/00/570460200.db2.gz ZMJALGAJZWONIW-FSJBWODESA-N 0 1 366.251 6.287 50 30 FKEAMN Cc1ccc2nc(-c3ccc(/N=C/c4cc(C)ccc4O)cc3O)oc2c1 ZINC000001021175 219354186 /nfs/dbraw/zinc/35/41/86/219354186.db2.gz FLYWTQGEBZPNRM-FSJBWODESA-N 0 1 358.397 5.273 50 30 FKEAMN Oc1c(Cl)cc(Cl)cc1/C=N/c1ccc(Cc2ccncc2)cc1 ZINC000001026963 219354702 /nfs/dbraw/zinc/35/47/02/219354702.db2.gz MAHCCABRRSQMEY-FSJBWODESA-N 0 1 357.240 5.435 50 30 FKEAMN Cc1ccc2nc(SC=CC(=O)c3cccc(Br)c3)[nH]c2c1 ZINC000001041329 570475013 /nfs/dbraw/zinc/47/50/13/570475013.db2.gz JMCWTSTURBKWCR-BQYQJAHWSA-N 0 1 373.275 5.123 50 30 FKEAMN Cc1cc(Br)ccc1/N=C/c1cc(Cl)cc(Cl)c1O ZINC000001041719 570475458 /nfs/dbraw/zinc/47/54/58/570475458.db2.gz MRWKNACVZNEQNV-CNHKJKLMSA-N 0 1 359.050 5.521 50 30 FKEAMN CCOC(=O)c1ccc(Cl)c(/N=C/c2cc(Cl)cc(Cl)c2O)c1 ZINC000001041805 570475311 /nfs/dbraw/zinc/47/53/11/570475311.db2.gz OEKAYQSWYXVWNL-DNTJNYDQSA-N 0 1 372.635 5.280 50 30 FKEAMN CC(C)Cc1ccc(-c2cc(-c3ccc(Cl)cc3)c(C#N)c(=O)[nH]2)cc1 ZINC000001046341 571144429 /nfs/dbraw/zinc/14/44/29/571144429.db2.gz YBMPXPBQIYDROY-UHFFFAOYSA-N 0 1 362.860 5.432 50 30 FKEAMN Oc1c(Cl)cc(Cl)cc1/C=N/c1ccc(OC(F)(F)F)cc1 ZINC000001046868 206858455 /nfs/dbraw/zinc/85/84/55/206858455.db2.gz UBYXJMKECXSWBH-IFRROFPPSA-N 0 1 350.123 5.348 50 30 FKEAMN Cc1cc(Cl)ccc1/N=C/c1cc(Br)cc(Cl)c1O ZINC000001055806 571144289 /nfs/dbraw/zinc/14/42/89/571144289.db2.gz WDAMOKRHEYGKQA-CNHKJKLMSA-N 0 1 359.050 5.521 50 30 FKEAMN CC(=O)N(C[C@H](C)/C(=N/c1ccccc1)Nc1ccccc1)c1ccccc1 ZINC000001306833 519465067 /nfs/dbraw/zinc/46/50/67/519465067.db2.gz KKWWBKVWSMWNHK-IBGZPJMESA-N 0 1 371.484 5.518 50 30 FKEAMN CC(=O)N(C[C@@H](C)/C(=N/c1ccccc1)Nc1ccccc1)c1ccccc1 ZINC000001306835 519465400 /nfs/dbraw/zinc/46/54/00/519465400.db2.gz KKWWBKVWSMWNHK-LJQANCHMSA-N 0 1 371.484 5.518 50 30 FKEAMN C=CCc1cccc(C=Nc2ccc3nc(-c4ccccc4)[nH]c3c2)c1O ZINC000001433579 519141323 /nfs/dbraw/zinc/14/13/23/519141323.db2.gz GXECLMAWBHWUKE-BUVRLJJBSA-N 0 1 353.425 5.415 50 30 FKEAMN Cc1c(Cl)c(C)c(/C=N/c2ccc(Cl)cc2)c(O)c1Br ZINC000001435228 571089503 /nfs/dbraw/zinc/08/95/03/571089503.db2.gz IRNWVXCHZJXSFN-FBCYGCLPSA-N 0 1 373.077 5.829 50 30 FKEAMN Cc1ccc(/N=C/c2c(C)c(Cl)c(C)c(Br)c2O)c(C)c1 ZINC000001435232 571089663 /nfs/dbraw/zinc/08/96/63/571089663.db2.gz YFTYEEUEWCXZBY-DNTJNYDQSA-N 0 1 366.686 5.792 50 30 FKEAMN Cc1ccc(/N=C/c2c(C)c(Cl)c(C)c(Br)c2O)cc1 ZINC000001435236 219405942 /nfs/dbraw/zinc/40/59/42/219405942.db2.gz WDNORMXZQYKMSX-UFWORHAWSA-N 0 1 352.659 5.484 50 30 FKEAMN Cc1cccc(/N=C/c2c(C)c(Cl)c(C)c(Br)c2O)c1 ZINC000001435345 571091004 /nfs/dbraw/zinc/09/10/04/571091004.db2.gz ODFWDLJVHRFRJL-UFWORHAWSA-N 0 1 352.659 5.484 50 30 FKEAMN Cc1c(Cl)c(C)c(/C=N/c2ccccc2Cl)c(O)c1Br ZINC000001435387 571091103 /nfs/dbraw/zinc/09/11/03/571091103.db2.gz JICPGHAWZDAEAQ-FBCYGCLPSA-N 0 1 373.077 5.829 50 30 FKEAMN Oc1c(Cl)cc(Br)cc1/C=N/c1ccc2ncccc2c1 ZINC000001435429 210352881 /nfs/dbraw/zinc/35/28/81/210352881.db2.gz VBSHLNPXFMEVRG-AWQFTUOYSA-N 0 1 361.626 5.107 50 30 FKEAMN CCOc1ccc(-c2cc(-c3ccc4ccccc4c3)[nH]c(=O)c2C#N)cc1 ZINC000001441060 571104318 /nfs/dbraw/zinc/10/43/18/571104318.db2.gz NSXLDXHQXVWRCF-UHFFFAOYSA-N 0 1 366.420 5.132 50 30 FKEAMN Cc1ccc(C)c(/N=C/c2c(C)c(Cl)c(C)c(Br)c2O)c1 ZINC000001445314 570500208 /nfs/dbraw/zinc/50/02/08/570500208.db2.gz IKCMYQNGBHOSKH-DNTJNYDQSA-N 0 1 366.686 5.792 50 30 FKEAMN S=c1[nH]nc(-c2ccco2)n1N=Cc1c2ccccc2cc2ccccc21 ZINC000001475870 210356379 /nfs/dbraw/zinc/35/63/79/210356379.db2.gz ZEOGRDIVGAXRIG-LPYMAVHISA-N 0 1 370.437 5.389 50 30 FKEAMN C=CCc1ccccc1Oc1nc(-c2ccccc2O)nc2ccccc21 ZINC000001845548 571198123 /nfs/dbraw/zinc/19/81/23/571198123.db2.gz AUIAOSSIYXGHAA-UHFFFAOYSA-N 0 1 354.409 5.523 50 30 FKEAMN CCc1ccc(-n2c(C)cc(C=NNc3nc4ccccc4s3)c2C)cc1 ZINC000001859209 571198447 /nfs/dbraw/zinc/19/84/47/571198447.db2.gz IKGMCAZWBSYBJM-OEAKJJBVSA-N 0 1 374.513 5.134 50 30 FKEAMN CCc1ccc(-n2c(C)cc(C=[NH+][N-]c3nc4ccccc4s3)c2C)cc1 ZINC000001859209 571198446 /nfs/dbraw/zinc/19/84/46/571198446.db2.gz IKGMCAZWBSYBJM-OEAKJJBVSA-N 0 1 374.513 5.134 50 30 FKEAMN Cc1cc(O)c(/C=N/c2cc(C(C)(C)C)cc(Cl)c2O)c(C)c1Cl ZINC000001879414 210373697 /nfs/dbraw/zinc/37/36/97/210373697.db2.gz YANGOLRUZAKGHA-LSFURLLWSA-N 0 1 366.288 6.070 50 30 FKEAMN COc1ccc(/C=N/c2ccc(O)c(-c3nc4ccccc4s3)c2)cc1 ZINC000001920034 204022160 /nfs/dbraw/zinc/02/21/60/204022160.db2.gz YYPNHCGDKLMGAC-LPYMAVHISA-N 0 1 360.438 5.428 50 30 FKEAMN CCCCCCCCOc1ccc(/N=C/c2ccc([N+](=O)[O-])cc2O)cc1 ZINC000001920366 219422312 /nfs/dbraw/zinc/42/23/12/219422312.db2.gz KWFDPUBMKRJABO-CJLVFECKSA-N 0 1 370.449 5.790 50 30 FKEAMN COc1ccccc1/C=N/c1ccc(O)c(-c2nc3ccccc3s2)c1 ZINC000001950934 571202891 /nfs/dbraw/zinc/20/28/91/571202891.db2.gz VAWVJSNCOZLRRH-LPYMAVHISA-N 0 1 360.438 5.428 50 30 FKEAMN CCCOC(=O)c1ccc(/N=C/c2cc(Cl)cc(Cl)c2O)cc1 ZINC000002131705 204027855 /nfs/dbraw/zinc/02/78/55/204027855.db2.gz FKYNWSRSQFDDQR-KEBDBYFISA-N 0 1 352.217 5.016 50 30 FKEAMN CCCCCCCCCCSc1nc(-c2ccccc2Cl)n[nH]1 ZINC000002177824 570516166 /nfs/dbraw/zinc/51/61/66/570516166.db2.gz SJIWMSOWKVXDPQ-UHFFFAOYSA-N 0 1 351.947 6.358 50 30 FKEAMN C=CCc1cc(C)ccc1Oc1nc(-c2ccccc2O)nc2ccccc21 ZINC000002194632 519130572 /nfs/dbraw/zinc/13/05/72/519130572.db2.gz AGFXYEJZNKTSAY-UHFFFAOYSA-N 0 1 368.436 5.832 50 30 FKEAMN Cc1ccc(-c2n[nH]c(=S)n2N=Cc2ccc(Cl)cc2Cl)cc1 ZINC000002199049 210383884 /nfs/dbraw/zinc/38/38/84/210383884.db2.gz UMGRSATZPFCQOP-DJKKODMXSA-N 0 1 363.273 5.105 50 30 FKEAMN Cc1ccccc1-c1n[nH]c(=S)n1N=Cc1ccc(Cl)cc1Cl ZINC000002227323 570517154 /nfs/dbraw/zinc/51/71/54/570517154.db2.gz NIPYAWVTOKJZMD-DJKKODMXSA-N 0 1 363.273 5.105 50 30 FKEAMN S=c1[nH]nc(C2CCCCC2)n1N=Cc1c(Cl)cccc1Cl ZINC000002276362 570518125 /nfs/dbraw/zinc/51/81/25/570518125.db2.gz JSYAVMINBADQCO-GIJQJNRQSA-N 0 1 355.294 5.177 50 30 FKEAMN Oc1c(Br)cc2oc3c(c2c1/C=N/c1ccccc1)CCCC3 ZINC000002278626 204030909 /nfs/dbraw/zinc/03/09/09/204030909.db2.gz NLGKRYNUCOEXPP-SRZZPIQSSA-N 0 1 370.246 5.530 50 30 FKEAMN Cc1ccc(-c2n[nH]c(=S)n2N=Cc2cccc(Cl)c2Cl)cc1 ZINC000002284475 204031815 /nfs/dbraw/zinc/03/18/15/204031815.db2.gz XBYUOPYNKSCEAM-DJKKODMXSA-N 0 1 363.273 5.105 50 30 FKEAMN Cc1ccc(C=Nn2c(=S)[nH]nc2-c2ccc(C(C)(C)C)cc2)cc1 ZINC000002324737 204034236 /nfs/dbraw/zinc/03/42/36/204034236.db2.gz AVZNIVXABVXAMP-FYJGNVAPSA-N 0 1 350.491 5.096 50 30 FKEAMN S=c1[nH]nc(C2CCCCC2)n1N=Cc1ccc(Cl)c(Cl)c1 ZINC000002324785 206910444 /nfs/dbraw/zinc/91/04/44/206910444.db2.gz JHGWJTMLCFEUFR-GIJQJNRQSA-N 0 1 355.294 5.177 50 30 FKEAMN Cc1ccc(-c2n[nH]c(=S)n2N=Cc2c(Cl)cccc2Cl)cc1 ZINC000002325084 570519024 /nfs/dbraw/zinc/51/90/24/570519024.db2.gz JFJAJMZKUPRYET-DJKKODMXSA-N 0 1 363.273 5.105 50 30 FKEAMN S=c1[nH]nc(C2CCCCC2)n1N=Cc1ccc(Cl)cc1Cl ZINC000002330669 570519263 /nfs/dbraw/zinc/51/92/63/570519263.db2.gz AJOFRXAPINPAFG-GIJQJNRQSA-N 0 1 355.294 5.177 50 30 FKEAMN COc1ccc2ccccc2c1C=Nn1c(=S)[nH]nc1C1CCCCC1 ZINC000002341912 570519279 /nfs/dbraw/zinc/51/92/79/570519279.db2.gz OFJSCIWFAANHAS-FYJGNVAPSA-N 0 1 366.490 5.032 50 30 FKEAMN Cc1cccc(C=Nn2c(=S)[nH]nc2-c2ccc(C(C)(C)C)cc2)c1 ZINC000002342647 210391309 /nfs/dbraw/zinc/39/13/09/210391309.db2.gz RJPHBHUWNZXADN-FYJGNVAPSA-N 0 1 350.491 5.096 50 30 FKEAMN S=c1[nH]nc(C2CCCCC2)n1N=Cc1cccc(Cl)c1Cl ZINC000002343294 204035339 /nfs/dbraw/zinc/03/53/39/204035339.db2.gz SZFWPEKKTTXLRA-GIJQJNRQSA-N 0 1 355.294 5.177 50 30 FKEAMN S=c1[nH]nc(-c2ccccc2)n1N=Cc1cccc(Oc2ccccc2)c1 ZINC000002343507 526387225 /nfs/dbraw/zinc/38/72/25/526387225.db2.gz CHNDRCISMBGTPO-PXLXIMEGSA-N 0 1 372.453 5.282 50 30 FKEAMN Cc1ccccc1-c1n[nH]c(=S)n1N=Cc1c(Cl)cccc1Cl ZINC000002346259 210392948 /nfs/dbraw/zinc/39/29/48/210392948.db2.gz CBUXLGKHMDBFMY-DJKKODMXSA-N 0 1 363.273 5.105 50 30 FKEAMN CCc1ccc(C=Nn2c(=S)[nH]nc2-c2ccc(C(C)(C)C)cc2)cc1 ZINC000002349010 570519815 /nfs/dbraw/zinc/51/98/15/570519815.db2.gz VUNSXAZHCZDXPE-HYARGMPZSA-N 0 1 364.518 5.350 50 30 FKEAMN Cc1ccc(-c2n[nH]c(=S)n2N=Cc2ccc(-c3ccccc3)cc2)cc1 ZINC000002358719 570520136 /nfs/dbraw/zinc/52/01/36/570520136.db2.gz SNGFOGOQMDVBJC-HZHRSRAPSA-N 0 1 370.481 5.465 50 30 FKEAMN Cc1ccc(-c2n[nH]c(=S)n2N=Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000002372903 570520061 /nfs/dbraw/zinc/52/00/61/570520061.db2.gz LDEAZHDBJTVEIA-DJKKODMXSA-N 0 1 363.273 5.105 50 30 FKEAMN CCOc1cccc(-c2n[nH]c(=S)n2N=Cc2cccc3ccccc23)c1 ZINC000002553826 521312822 /nfs/dbraw/zinc/31/28/22/521312822.db2.gz PQXKEHSBOURJJR-HYARGMPZSA-N 0 1 374.469 5.042 50 30 FKEAMN CC(C)(C)c1ccc(-c2n[nH]c(=S)n2N=Cc2ccccc2Cl)cc1 ZINC000002588956 570526157 /nfs/dbraw/zinc/52/61/57/570526157.db2.gz UWXXDBDQXBPYOG-CIAFOILYSA-N 0 1 370.909 5.441 50 30 FKEAMN Oc1c(Cl)cccc1/C=N/c1ccc2oc(-c3ccc(F)cc3)nc2c1 ZINC000002756701 571340848 /nfs/dbraw/zinc/34/08/48/571340848.db2.gz BFWPKJWSOWRHQB-FOKLQQMPSA-N 0 1 366.779 5.744 50 30 FKEAMN Oc1c(Cl)cccc1/C=N/c1ccc2oc(-c3cccc(F)c3)nc2c1 ZINC000002756709 571340844 /nfs/dbraw/zinc/34/08/44/571340844.db2.gz QRNYXRCZOWQDPO-FOKLQQMPSA-N 0 1 366.779 5.744 50 30 FKEAMN Oc1c(Cl)cc(Cl)cc1/C=N/c1ccc2c(c1)oc1ccccc12 ZINC000002771251 570531604 /nfs/dbraw/zinc/53/16/04/570531604.db2.gz HHSVVEYEQLTTRY-LSHDLFTRSA-N 0 1 356.208 6.349 50 30 FKEAMN O=C(Nc1ccccc1)c1cc2ccccc2c(/C=N/c2ccccc2)c1O ZINC000003028249 219483138 /nfs/dbraw/zinc/48/31/38/219483138.db2.gz WAYZKPHZOSAJPJ-PCLIKHOPSA-N 0 1 366.420 5.548 50 30 FKEAMN CCCCOC(=O)c1ccc(/N=C/c2cc(Cl)cc(Cl)c2O)cc1 ZINC000003090312 520719662 /nfs/dbraw/zinc/71/96/62/520719662.db2.gz ARIAUNGHDMQYSV-SRZZPIQSSA-N 0 1 366.244 5.407 50 30 FKEAMN Cc1ccc2nc(-c3ccc(/N=C/c4ccccc4Cl)cc3O)oc2c1 ZINC000003092301 219486514 /nfs/dbraw/zinc/48/65/14/219486514.db2.gz ACCAFMWINZFCBB-FSJBWODESA-N 0 1 362.816 5.913 50 30 FKEAMN Cc1ccc2oc(-c3ccc(/N=C/c4ccccc4[N+](=O)[O-])cc3O)nc2c1 ZINC000003099027 570551507 /nfs/dbraw/zinc/55/15/07/570551507.db2.gz SXQGVMLFCAHOTC-WSDLNYQXSA-N 0 1 373.368 5.168 50 30 FKEAMN Cc1ccc2nc(-c3cc(N=Cc4ccc(Cl)cc4)ccc3O)[nH]c2c1 ZINC000003112953 570535264 /nfs/dbraw/zinc/53/52/64/570535264.db2.gz CYZDTQXZDBBDQL-FSJBWODESA-N 0 1 361.832 5.648 50 30 FKEAMN Cc1cccc2oc(-c3cc(/N=C/c4ccc(Cl)cc4)ccc3O)nc21 ZINC000003114109 571293496 /nfs/dbraw/zinc/29/34/96/571293496.db2.gz QBZFXIDIPBRDDA-FSJBWODESA-N 0 1 362.816 5.913 50 30 FKEAMN Cc1ccc(O)c(/N=C/c2c(C)c(Cl)c(C)c(Br)c2O)c1 ZINC000003114111 571344810 /nfs/dbraw/zinc/34/48/10/571344810.db2.gz KKZLXBQNTWIHGU-FBCYGCLPSA-N 0 1 368.658 5.190 50 30 FKEAMN Cc1ccc(/N=C/c2c(C)c(Cl)c(C)c(Br)c2O)cc1C ZINC000003114286 571344830 /nfs/dbraw/zinc/34/48/30/571344830.db2.gz XDCWACFEXPHGBX-DNTJNYDQSA-N 0 1 366.686 5.792 50 30 FKEAMN Oc1c(Cl)cc(Br)cc1/C=N/c1cccc2ccccc21 ZINC000003116247 204077777 /nfs/dbraw/zinc/07/77/77/204077777.db2.gz XBVBOGIZAAMYMK-KEBDBYFISA-N 0 1 360.638 5.712 50 30 FKEAMN O=[P@@]([O-])(Nc1ccccc1)C(Nc1ccccc1)=[NH+]c1ccccc1 ZINC000003174352 206157693 /nfs/dbraw/zinc/15/76/93/206157693.db2.gz OZCKNOMIEOOTDH-UHFFFAOYSA-N 0 1 351.346 5.084 50 30 FKEAMN Cc1ccccc1C(=O)[C@@H](C#N)c1nc2ccc(C(F)(F)F)cc2s1 ZINC000003236401 571345927 /nfs/dbraw/zinc/34/59/27/571345927.db2.gz HXWKTHILVIGJQT-CYBMUJFWSA-N 0 1 360.360 5.114 50 30 FKEAMN Cc1ccccc1C(=O)C(C#N)c1nc2ccc(C(F)(F)F)cc2s1 ZINC000003236401 571345926 /nfs/dbraw/zinc/34/59/26/571345926.db2.gz HXWKTHILVIGJQT-CYBMUJFWSA-N 0 1 360.360 5.114 50 30 FKEAMN Cc1ccccc1C(=O)[C@H](C#N)c1nc2ccc(C(F)(F)F)cc2s1 ZINC000003236402 571345924 /nfs/dbraw/zinc/34/59/24/571345924.db2.gz HXWKTHILVIGJQT-ZDUSSCGKSA-N 0 1 360.360 5.114 50 30 FKEAMN Cc1ccccc1C(=O)C(C#N)c1nc2ccc(C(F)(F)F)cc2s1 ZINC000003236402 571345923 /nfs/dbraw/zinc/34/59/23/571345923.db2.gz HXWKTHILVIGJQT-ZDUSSCGKSA-N 0 1 360.360 5.114 50 30 FKEAMN CC(C)(C)c1cc(C=[NH+][N-]c2nc3ccccc3[nH]2)cc(C(C)(C)C)c1O ZINC000003902091 570571059 /nfs/dbraw/zinc/57/10/59/570571059.db2.gz ZKIOLZULAHLFJY-YDZHTSKRSA-N 0 1 364.493 5.310 50 30 FKEAMN CCCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccc(C)cc1 ZINC000003904705 570571518 /nfs/dbraw/zinc/57/15/18/570571518.db2.gz ALFCCALWMATFAT-DEOSSOPVSA-N 0 1 374.484 5.302 50 30 FKEAMN CCCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccc(C)cc1 ZINC000003904707 570571473 /nfs/dbraw/zinc/57/14/73/570571473.db2.gz ALFCCALWMATFAT-XMMPIXPASA-N 0 1 374.484 5.302 50 30 FKEAMN Cc1ccc([C@@H]2C3=C(CCCC3=O)Nc3ccccc3N2C(=O)C(C)C)cc1 ZINC000003904709 570571358 /nfs/dbraw/zinc/57/13/58/570571358.db2.gz JTDBBAXSUUXEDH-HSZRJFAPSA-N 0 1 374.484 5.158 50 30 FKEAMN Cc1ccc([C@H]2C3=C(CCCC3=O)Nc3ccccc3N2C(=O)C(C)C)cc1 ZINC000003904710 570571422 /nfs/dbraw/zinc/57/14/22/570571422.db2.gz JTDBBAXSUUXEDH-QHCPKHFHSA-N 0 1 374.484 5.158 50 30 FKEAMN CCCCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccccc1 ZINC000003904875 210499122 /nfs/dbraw/zinc/49/91/22/210499122.db2.gz RMYWOZLIULTYOT-DEOSSOPVSA-N 0 1 374.484 5.384 50 30 FKEAMN CCCCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccccc1 ZINC000003904877 571353109 /nfs/dbraw/zinc/35/31/09/571353109.db2.gz RMYWOZLIULTYOT-XMMPIXPASA-N 0 1 374.484 5.384 50 30 FKEAMN Clc1cncc(Cl)c1NN=Cc1cccc(Oc2ccccc2)c1 ZINC000003909683 526998754 /nfs/dbraw/zinc/99/87/54/526998754.db2.gz OYXSNGZSVXBPGV-LSHDLFTRSA-N 0 1 358.228 5.627 50 30 FKEAMN Cc1ccsc1C=NNc1ccc2c(Cl)cc(Cl)c(O)c2n1 ZINC000003909701 571353195 /nfs/dbraw/zinc/35/31/95/571353195.db2.gz ZFPWOEWFDQASRX-CNHKJKLMSA-N 0 1 352.246 5.063 50 30 FKEAMN Cc1ccc(-c2cc(-c3ccc(Cl)cc3Cl)c(C#N)c(=O)[nH]2)cc1 ZINC000004002336 571353797 /nfs/dbraw/zinc/35/37/97/571353797.db2.gz LTSAFYSYOMQELV-UHFFFAOYSA-N 0 1 355.224 5.196 50 30 FKEAMN N#Cc1c(=O)[nH]c(-c2cccc(C(F)(F)F)c2)cc1-c1ccc(Cl)cc1 ZINC000004024972 571354120 /nfs/dbraw/zinc/35/41/20/571354120.db2.gz KSRUVUAZALRVDV-UHFFFAOYSA-N 0 1 374.749 5.253 50 30 FKEAMN N#Cc1c(=O)[nH]c(-c2ccc(C(F)(F)F)cc2)cc1-c1ccc(Cl)cc1 ZINC000004024974 571354158 /nfs/dbraw/zinc/35/41/58/571354158.db2.gz SLDWPHKWAUXEFI-UHFFFAOYSA-N 0 1 374.749 5.253 50 30 FKEAMN C/C(=N/OCc1ccc(C)cc1)c1cccc(N2Cc3ccccc3C2)c1 ZINC000004051086 206998992 /nfs/dbraw/zinc/99/89/92/206998992.db2.gz GAGHQIWHICVWEM-PLRJNAJWSA-N 0 1 356.469 5.456 50 30 FKEAMN CC(N=Nc1ccccc1F)c1ccc2noc(-c3ccc(F)cc3)c2c1 ZINC000004059930 518452427 /nfs/dbraw/zinc/45/24/27/518452427.db2.gz AIEBVWAXLJLZCI-CFRMEGHHSA-N 0 1 363.367 5.609 50 30 FKEAMN CN(C)c1ccc(CN=Nc2nc(-c3ccc4ccccc4c3)cs2)cc1 ZINC000004063865 522135995 /nfs/dbraw/zinc/13/59/95/522135995.db2.gz FXXOJGCRGMFKFK-OEAKJJBVSA-N 0 1 372.497 5.475 50 30 FKEAMN Cc1cc(C=NNc2nc3ccccc3s2)c(C)n1-c1c(C)cccc1C ZINC000004106515 571355287 /nfs/dbraw/zinc/35/52/87/571355287.db2.gz MTYGTMPCVPVLAY-YDZHTSKRSA-N 0 1 374.513 5.767 50 30 FKEAMN Cc1cc(C=NN=c2[nH]c3ccccc3s2)c(C)n1-c1c(C)cccc1C ZINC000004106515 571355286 /nfs/dbraw/zinc/35/52/86/571355286.db2.gz MTYGTMPCVPVLAY-YDZHTSKRSA-N 0 1 374.513 5.767 50 30 FKEAMN C(=NNc1nc2ccccc2s1)c1c2ccccc2cc2ccccc21 ZINC000004133083 204123242 /nfs/dbraw/zinc/12/32/42/204123242.db2.gz LKDLXBLDRRNSKU-OEAKJJBVSA-N 0 1 353.450 6.049 50 30 FKEAMN C(=[NH+][N-]c1nc2ccccc2s1)c1c2ccccc2cc2ccccc21 ZINC000004133083 204123238 /nfs/dbraw/zinc/12/32/38/204123238.db2.gz LKDLXBLDRRNSKU-OEAKJJBVSA-N 0 1 353.450 6.049 50 30 FKEAMN CCOc1cc(CN=Nc2c(Cl)cc(Cl)cc2Cl)ccc1O ZINC000004159346 571356205 /nfs/dbraw/zinc/35/62/05/571356205.db2.gz ZXRYBMKOYYZBRA-UFWORHAWSA-N 0 1 359.640 5.197 50 30 FKEAMN Cc1ccc2nc(-c3ccc(/N=C/c4cccc(C)c4O)cc3O)oc2c1 ZINC000004181453 204125822 /nfs/dbraw/zinc/12/58/22/204125822.db2.gz NHIVFGHQFVBJSB-FSJBWODESA-N 0 1 358.397 5.273 50 30 FKEAMN FC(F)(F)c1ccc(NN=Cc2ccc(OCc3ccccc3)cc2)nc1 ZINC000004181802 527682920 /nfs/dbraw/zinc/68/29/20/527682920.db2.gz GGUIABASNLEKGD-BRJLIKDPSA-N 0 1 371.362 5.125 50 30 FKEAMN Clc1cc(Cl)c(NN=Cc2nc3ccccc3s2)c(Cl)c1 ZINC000004183874 204126005 /nfs/dbraw/zinc/12/60/05/204126005.db2.gz KLNKJJOXTUBEIH-CNHKJKLMSA-N 0 1 356.665 5.703 50 30 FKEAMN Oc1ccccc1-c1nc2ccccc2c(N=NCc2ccccc2Cl)n1 ZINC000004322368 526368121 /nfs/dbraw/zinc/36/81/21/526368121.db2.gz BEUCEBGGZDRAJZ-YDZHTSKRSA-N 0 1 374.831 5.102 50 30 FKEAMN Oc1c(Cl)cc(Cl)cc1/C=N/c1ccccc1N1CCCCCC1 ZINC000004361778 204135892 /nfs/dbraw/zinc/13/58/92/204135892.db2.gz SSTLDSGHYFZOPB-LPYMAVHISA-N 0 1 363.288 5.830 50 30 FKEAMN Cc1c2ccccc2sc1CN=Nc1c(Cl)cc(Cl)cc1Cl ZINC000004365879 204135020 /nfs/dbraw/zinc/13/50/20/204135020.db2.gz SOXUAQWFQRMZBC-DNTJNYDQSA-N 0 1 369.704 6.616 50 30 FKEAMN Cc1ccccc1C=Nn1c(=S)[nH]nc1-c1ccc(C(C)(C)C)cc1 ZINC000004368357 570587375 /nfs/dbraw/zinc/58/73/75/570587375.db2.gz RTSJTKNLKKILKL-FYJGNVAPSA-N 0 1 350.491 5.096 50 30 FKEAMN CCCCC[C@@H]1/C(=N\O)C[C@@H](c2ccccc2)[N@H+](C)[C@H]1c1ccccc1 ZINC000004375808 204135608 /nfs/dbraw/zinc/13/56/08/204135608.db2.gz BIMIEBMZQZLFKK-SNVIUIACSA-N 0 1 350.506 5.831 50 30 FKEAMN CCCCC[C@@H]1/C(=N/O)C[C@@H](c2ccccc2)[N@H+](C)[C@@H]1c1ccccc1 ZINC000004375811 204135288 /nfs/dbraw/zinc/13/52/88/204135288.db2.gz BIMIEBMZQZLFKK-JWZWQBCJSA-N 0 1 350.506 5.831 50 30 FKEAMN N#CCCSc1ccccc1/N=C/c1cc(Cl)cc(Cl)c1O ZINC000004377246 570588293 /nfs/dbraw/zinc/58/82/93/570588293.db2.gz KZIBTFIUWMJCQS-KEBDBYFISA-N 0 1 351.258 5.455 50 30 FKEAMN C(=[NH+][N-]c1nc2ccccc2s1)c1ccc(OCc2ccccc2)cc1 ZINC000004379904 570766629 /nfs/dbraw/zinc/76/66/29/570766629.db2.gz KJUWNZFNIQHUBN-UHFFFAOYSA-N 0 1 359.454 5.321 50 30 FKEAMN Oc1c(Cl)cc(Cl)cc1/C=N/CCSCc1ccccc1Cl ZINC000004390635 526324976 /nfs/dbraw/zinc/32/49/76/526324976.db2.gz IYMBRKQRRYIRHD-AWQFTUOYSA-N 0 1 374.720 5.705 50 30 FKEAMN Oc1c(Cl)cc(Cl)cc1CN=Nc1nc(-c2ccccc2)cs1 ZINC000004459103 526324330 /nfs/dbraw/zinc/32/43/30/526324330.db2.gz MAFXBSVDQNIJJO-UFWORHAWSA-N 0 1 364.257 5.269 50 30 FKEAMN CCN(CC)c1ccc(CN=Nc2nc(-c3ccccc3)cs2)cc1 ZINC000004475417 520882705 /nfs/dbraw/zinc/88/27/05/520882705.db2.gz ZOITXXRMRSOOIE-KGENOOAVSA-N 0 1 350.491 5.102 50 30 FKEAMN CC(=NNc1c(Cl)cc(Cl)cc1Cl)c1ccc(Cl)s1 ZINC000004482083 204140600 /nfs/dbraw/zinc/14/06/00/204140600.db2.gz HBWBDGTZLBFFRG-UBKPWBPPSA-N 0 1 354.089 6.198 50 30 FKEAMN CC(=[NH+][N-]c1nc2ccccc2s1)c1ccc(OCc2ccccc2)cc1 ZINC000004491499 570799777 /nfs/dbraw/zinc/79/97/77/570799777.db2.gz YQUJOCXTRSSULP-LFVJCYFKSA-N 0 1 373.481 5.711 50 30 FKEAMN CC(=NNc1nc2ccccc2s1)c1ccc(OCc2ccccc2)cc1 ZINC000004491499 570799775 /nfs/dbraw/zinc/79/97/75/570799775.db2.gz YQUJOCXTRSSULP-LFVJCYFKSA-N 0 1 373.481 5.711 50 30 FKEAMN CC(=NNc1c(Cl)cc(Cl)cc1Cl)c1cc(F)c(F)cc1C ZINC000004491807 570799885 /nfs/dbraw/zinc/79/98/85/570799885.db2.gz JJIIRNLPXGSUSF-WNFQYIGGSA-N 0 1 363.622 6.070 50 30 FKEAMN CCCc1ccc(O)c(/N=C/c2cc(Cl)cc(Br)c2O)c1 ZINC000004499449 570801473 /nfs/dbraw/zinc/80/14/73/570801473.db2.gz VJRLGBMZMANDEK-DJKKODMXSA-N 0 1 368.658 5.217 50 30 FKEAMN CCCOc1ccc2ccccc2c1C=NNc1nc2ccccc2s1 ZINC000004544240 520436450 /nfs/dbraw/zinc/43/64/50/520436450.db2.gz ZSMQXOOEEVDDDQ-HYARGMPZSA-N 0 1 361.470 5.684 50 30 FKEAMN CCCc1ccc(O)c(/N=C/c2cc(Br)cc(Cl)c2O)c1 ZINC000004673273 571157322 /nfs/dbraw/zinc/15/73/22/571157322.db2.gz VLFYBQJXLFQWPC-DJKKODMXSA-N 0 1 368.658 5.217 50 30 FKEAMN CCCCc1c(C)c(C#N)c2nc3ccccc3n2c1Nc1ccncc1 ZINC000004674086 571157183 /nfs/dbraw/zinc/15/71/83/571157183.db2.gz IOVJGWAOTBNONO-UHFFFAOYSA-N 0 1 355.445 5.149 50 30 FKEAMN CCCCCCOc1ccccc1C=NNc1nc2ccccc2s1 ZINC000004679338 520107874 /nfs/dbraw/zinc/10/78/74/520107874.db2.gz GEPQHYIYRZZKPY-RCCKNPSSSA-N 0 1 353.491 5.701 50 30 FKEAMN Cc1ccc(C=Nc2ccc3nc(-c4ccc(Cl)cc4Cl)[nH]c3c2)o1 ZINC000004730516 570603664 /nfs/dbraw/zinc/60/36/64/570603664.db2.gz HUHXWWZXSDCKIP-LSHDLFTRSA-N 0 1 370.239 6.189 50 30 FKEAMN CCOC(=O)c1c(C)c(C)sc1/N=C/c1cc(Cl)cc(Cl)c1O ZINC000004739504 571229775 /nfs/dbraw/zinc/22/97/75/571229775.db2.gz MWSSFNFICQZEPF-FBCYGCLPSA-N 0 1 372.273 5.305 50 30 FKEAMN Cc1[nH]nc(N=C2CC(=O)C[C@H](c3ccc(C)cc3)C2)c1-c1ccccc1 ZINC000004741650 570604803 /nfs/dbraw/zinc/60/48/03/570604803.db2.gz KZCLLFGUXWHVHT-LJQANCHMSA-N 0 1 357.457 5.136 50 30 FKEAMN Clc1ccc(CN=Nc2nc3ccccc3c3ccccc32)c(Cl)c1 ZINC000004834552 204167678 /nfs/dbraw/zinc/16/76/78/204167678.db2.gz JKVLITMWOAMKGI-FSJBWODESA-N 0 1 366.251 6.141 50 30 FKEAMN CCCCCOc1ccc(C=Nn2c(=S)[nH]nc2C2CCCCC2)cc1 ZINC000004936193 520250057 /nfs/dbraw/zinc/25/00/57/520250057.db2.gz LFCILKXAGDEZHB-RCCKNPSSSA-N 0 1 372.538 5.440 50 30 FKEAMN C(=[NH+][N-]c1nc2ccccc2s1)c1cccc(OCc2ccccc2)c1 ZINC000004974094 207068626 /nfs/dbraw/zinc/06/86/26/207068626.db2.gz CAXUSBRFKNHHGJ-HYARGMPZSA-N 0 1 359.454 5.321 50 30 FKEAMN C(=NNc1nc2ccccc2s1)c1cccc(OCc2ccccc2)c1 ZINC000004974094 207068622 /nfs/dbraw/zinc/06/86/22/207068622.db2.gz CAXUSBRFKNHHGJ-HYARGMPZSA-N 0 1 359.454 5.321 50 30 FKEAMN Cc1ccc(COc2ccc(C=[NH+][N-]c3nc4ccccc4s3)cc2)cc1 ZINC000004975290 204181636 /nfs/dbraw/zinc/18/16/36/204181636.db2.gz GVJNCEPBVRHBCM-OEAKJJBVSA-N 0 1 373.481 5.630 50 30 FKEAMN Cc1ccc2cc(C)c(N=NCc3ccc(Br)cc3)nc2c1 ZINC000004982091 570615606 /nfs/dbraw/zinc/61/56/06/570615606.db2.gz ZJUNHDPLGQZMSP-RGVLZGJSSA-N 0 1 354.251 5.060 50 30 FKEAMN CN(C)c1ccc(CN=Nc2nc(-c3cccc4ccccc43)cs2)cc1 ZINC000004982307 522135014 /nfs/dbraw/zinc/13/50/14/522135014.db2.gz YCHSSFJJCRCFLA-OEAKJJBVSA-N 0 1 372.497 5.475 50 30 FKEAMN COc1ccc(OC)c(CN=Nc2c(Cl)cc(Cl)cc2Cl)c1 ZINC000004989607 570616507 /nfs/dbraw/zinc/61/65/07/570616507.db2.gz CVZBMHMYCZSSDL-UFWORHAWSA-N 0 1 359.640 5.110 50 30 FKEAMN C(=NNc1nc2ccccc2s1)c1ccccc1OCc1ccccc1 ZINC000005023092 570618728 /nfs/dbraw/zinc/61/87/28/570618728.db2.gz MDXVGOSEBNFNIC-HYARGMPZSA-N 0 1 359.454 5.321 50 30 FKEAMN Fc1ccccc1C=NNc1nc(-c2ccccc2F)nc2ccccc21 ZINC000005033428 570577091 /nfs/dbraw/zinc/57/70/91/570577091.db2.gz FLTILKWCGYIXHA-ZMOGYAJESA-N 0 1 360.367 5.021 50 30 FKEAMN Cc1sc2[nH]cnc(=NN=Cc3c(Cl)cccc3Cl)c2c1C ZINC000005053423 204187915 /nfs/dbraw/zinc/18/79/15/204187915.db2.gz OIFIMBPEQWHZPW-CGOBSMCZSA-N 0 1 351.262 5.061 50 30 FKEAMN CCN(CC)c1ccc(C=[NH+][N-]c2nc(-c3cccs3)cs2)cc1 ZINC000005061069 263338813 /nfs/dbraw/zinc/33/88/13/263338813.db2.gz ZHPIBIMILNIRTE-XDHOZWIPSA-N 0 1 356.520 5.164 50 30 FKEAMN CCCC(=O)N1c2ccccc2N=C2CCCC(=O)C2[C@@H]1c1cccs1 ZINC000005101023 570621213 /nfs/dbraw/zinc/62/12/13/570621213.db2.gz TUUKKKBLZJTFAO-NRFANRHFSA-N 0 1 366.486 5.055 50 30 FKEAMN CCCC(=O)N1c2ccccc2N=C2CCCC(=O)C2[C@H]1c1cccs1 ZINC000005101025 204191498 /nfs/dbraw/zinc/19/14/98/204191498.db2.gz TUUKKKBLZJTFAO-OAQYLSRUSA-N 0 1 366.486 5.055 50 30 FKEAMN O=C(/C=C/c1ccc(Br)cc1)c1ccc2ccccc2c1O ZINC000005101305 207080240 /nfs/dbraw/zinc/08/02/40/207080240.db2.gz CTFQJSNBWVLXAC-KPKJPENVSA-N 0 1 353.215 5.204 50 30 FKEAMN FC(F)(F)c1nc2ccc(N=Cc3ccc(Cl)cc3Cl)cc2[nH]1 ZINC000005323304 210614615 /nfs/dbraw/zinc/61/46/15/210614615.db2.gz UJTQMGORFKQMJV-QPSGOUHRSA-N 0 1 358.150 5.639 50 30 FKEAMN O=C1c2ccccc2C2=C1[C@@H](c1ccccc1F)Sc1ccccc1N2 ZINC000005376896 570650870 /nfs/dbraw/zinc/65/08/70/570650870.db2.gz CDAKPFQZGOQNRM-JOCHJYFZSA-N 0 1 359.425 5.692 50 30 FKEAMN O=C1c2ccccc2C2=C1[C@H](c1ccccc1F)Sc1ccccc1N2 ZINC000005376904 570650898 /nfs/dbraw/zinc/65/08/98/570650898.db2.gz CDAKPFQZGOQNRM-QFIPXVFZSA-N 0 1 359.425 5.692 50 30 FKEAMN C=CCc1cccc(CN=Nc2c(Cl)cc(Cl)cc2Cl)c1O ZINC000005382828 207097200 /nfs/dbraw/zinc/09/72/00/207097200.db2.gz RGIFGTMEVIVSLL-AWQFTUOYSA-N 0 1 355.652 5.527 50 30 FKEAMN CCn1c2ccccc2c2cc(C=NNc3nc4ccccc4s3)ccc21 ZINC000005393648 207098157 /nfs/dbraw/zinc/09/81/57/207098157.db2.gz UMKZWFWYDWKXCL-OEAKJJBVSA-N 0 1 370.481 5.870 50 30 FKEAMN Cc1ccc2nc(CSc3nc(-c4ccccc4)ccc3C#N)[nH]c2c1 ZINC000005409147 207098025 /nfs/dbraw/zinc/09/80/25/207098025.db2.gz RTEALJNYRDAXNB-UHFFFAOYSA-N 0 1 356.454 5.097 50 30 FKEAMN FC(F)Oc1cccc(CN=Nc2c(Cl)cc(Cl)cc2Cl)c1 ZINC000005447084 527696813 /nfs/dbraw/zinc/69/68/13/527696813.db2.gz KCTSYABLVSOHOB-IFRROFPPSA-N 0 1 365.594 5.694 50 30 FKEAMN C=C(C)CNN=C1CC(C)(C)Cc2nc(CC)c3c4ccccc4[nH]c3c21 ZINC000005470441 206196020 /nfs/dbraw/zinc/19/60/20/206196020.db2.gz AIBLTCZJJGTNDD-ZXVVBBHZSA-N 0 1 360.505 5.121 50 30 FKEAMN Clc1cc(Cl)c(N=NCc2cnc3ccccc3n2)c(Cl)c1 ZINC000005529082 204213655 /nfs/dbraw/zinc/21/36/55/204213655.db2.gz USSSVSXAWIOJSV-DNTJNYDQSA-N 0 1 351.624 5.036 50 30 FKEAMN Clc1cc(Cl)c(N=NCc2ccc3nccnc3c2)c(Cl)c1 ZINC000005532527 204213957 /nfs/dbraw/zinc/21/39/57/204213957.db2.gz DPWDMXYWAHQESY-ODCIPOBUSA-N 0 1 351.624 5.036 50 30 FKEAMN CC(C)(C)c1ccc(-c2n[nH]c(=S)n2N=Cc2ccc(Cl)cc2)cc1 ZINC000005669428 570633127 /nfs/dbraw/zinc/63/31/27/570633127.db2.gz QATAIUDEXVGNNO-CIAFOILYSA-N 0 1 370.909 5.441 50 30 FKEAMN CC(C)(C)c1ccc(-c2n[nH]c(=S)n2N=Cc2cccc(Cl)c2)cc1 ZINC000005669436 204219812 /nfs/dbraw/zinc/21/98/12/204219812.db2.gz LVTKSQJHLQNZRA-CIAFOILYSA-N 0 1 370.909 5.441 50 30 FKEAMN O/N=C(\c1ccc(Br)cc1)[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000005675483 570807468 /nfs/dbraw/zinc/80/74/68/570807468.db2.gz NPGQDHORGPOZSS-XXKVJXOSSA-N 0 1 350.643 5.085 50 30 FKEAMN O/N=C(\c1ccc(Br)cc1)[C@@H]1C[C@@H]1c1ccc(Cl)cc1 ZINC000005675569 570807950 /nfs/dbraw/zinc/80/79/50/570807950.db2.gz NPGQDHORGPOZSS-MLOFKKRKSA-N 0 1 350.643 5.085 50 30 FKEAMN Cc1c2ccccc2c(C=[NH+][N-]c2nc3ccccc3[nH]2)c2ccccc12 ZINC000005728511 204223627 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