smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H](C[N@H+](CCP(=O)(c1ccccc1)c1ccccc1)C1CC1)C(=O)[O-] ZINC000827448705 604741872 /nfs/dbraw/zinc/74/18/72/604741872.db2.gz BYWLUWODCMVHEJ-KRWDZBQOSA-N 0 0 371.417 3.186 20 50 FGGDRN O=C(NNc1cccc(-c2nn[nH]n2)c1)c1cc2cccc(Cl)c2o1 ZINC000826448828 607728909 /nfs/dbraw/zinc/72/89/09/607728909.db2.gz NQVUJKFXKAVDJJ-UHFFFAOYSA-N 0 0 354.757 3.023 20 50 FGGDRN CC(C)(C(=O)[O-])[C@H]([NH2+]CCCI)c1ccccc1 ZINC000833415891 605842596 /nfs/dbraw/zinc/84/25/96/605842596.db2.gz YKEGFRYZCRWZKU-GFCCVEGCSA-N 0 0 361.223 3.253 20 50 FGGDRN O=C(NNc1cc(Cl)ccc1Cl)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000823281352 606437792 /nfs/dbraw/zinc/43/77/92/606437792.db2.gz RATSPXAMSWZNGK-UHFFFAOYSA-N 0 0 364.196 3.322 20 50 FGGDRN O=C(NNc1cccc(-c2nn[nH]n2)c1)Nc1ccnc(-c2ccccc2)c1 ZINC000826448312 608819024 /nfs/dbraw/zinc/81/90/24/608819024.db2.gz QNDSOOZRJXSZRY-UHFFFAOYSA-N 0 0 372.392 3.077 20 50 FGGDRN O=C(NNc1c(Cl)cccc1Cl)Nc1cccc(-c2nn[nH]n2)c1 ZINC000823281424 606869285 /nfs/dbraw/zinc/86/92/85/606869285.db2.gz SAFSGQNHNYRTGJ-UHFFFAOYSA-N 0 0 364.196 3.322 20 50 FGGDRN CC(=Cc1ccc(Cl)cc1)C(=O)NNc1ccc(-c2nn[nH]n2)cc1 ZINC000823942716 607995337 /nfs/dbraw/zinc/99/53/37/607995337.db2.gz HNHILUBDAOYVMB-ZHACJKMWSA-N 0 0 354.801 3.067 20 50 FGGDRN CC[C@H](C(=O)NN=C(C)c1ccc(-c2nn[nH]n2)cc1F)c1ccccc1 ZINC000825038544 609277836 /nfs/dbraw/zinc/27/78/36/609277836.db2.gz FHXZVEBWBNGYTC-HNNXBMFYSA-N 0 0 366.400 3.040 20 50 FGGDRN O=C(NN=Cc1ccc(Oc2ccccc2)o1)c1ccc(-c2nn[nH]n2)cc1 ZINC000826444385 609517947 /nfs/dbraw/zinc/51/79/47/609517947.db2.gz DICIYFPSBBVTDE-UHFFFAOYSA-N 0 0 374.360 3.016 20 50 FGGDRN CC(C)c1ccc(CCC(=O)NNc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000824347791 607353289 /nfs/dbraw/zinc/35/32/89/607353289.db2.gz NVPMYJYKKNZVTM-UHFFFAOYSA-N 0 0 350.426 3.066 20 50 FGGDRN O=C(NNc1cccc(-c2nn[nH]n2)c1)c1ccccc1Nc1ccccc1 ZINC000826448885 607712679 /nfs/dbraw/zinc/71/26/79/607712679.db2.gz QMIPMRYIUCCCED-UHFFFAOYSA-N 0 0 371.404 3.367 20 50 FGGDRN Cc1nc(C2CCCC2)sc1C(=O)NNc1cccc(-c2nn[nH]n2)c1 ZINC000826324414 607730042 /nfs/dbraw/zinc/73/00/42/607730042.db2.gz PWMDAVOOUIQTIM-UHFFFAOYSA-N 0 0 369.454 3.046 20 50 FGGDRN CC(C)(C(=O)[O-])[C@@H]([NH2+]CCCI)c1ccccc1 ZINC000833415894 605842823 /nfs/dbraw/zinc/84/28/23/605842823.db2.gz YKEGFRYZCRWZKU-LBPRGKRZSA-N 0 0 361.223 3.253 20 50 FGGDRN O=C(Oc1ccc([N+](=O)[O-])c2ccccc12)c1ccc(-c2nn[nH]n2)cc1 ZINC000823454782 606856115 /nfs/dbraw/zinc/85/61/15/606856115.db2.gz UHUKPPCMAXCIHU-UHFFFAOYSA-N 0 0 361.317 3.147 20 50 FGGDRN CCC(CC)[C@@H](C)C(=O)NNc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1 ZINC000825096478 608074462 /nfs/dbraw/zinc/07/44/62/608074462.db2.gz OIEGDZHRBRBSPB-SECBINFHSA-N 0 0 370.379 3.401 20 50 FGGDRN N#CC(=Cc1cccc(-c2nn[nH]n2)c1)C(=O)c1ccc(F)c(Cl)c1 ZINC000826379245 608288767 /nfs/dbraw/zinc/28/87/67/608288767.db2.gz NBGMDXWHNYSWON-NTUHNPAUSA-N 0 0 353.744 3.449 20 50 FGGDRN O=C(NNc1ccc(-c2nn[nH]n2)cc1)C(c1ccccc1)c1ccccc1 ZINC000826446704 607353556 /nfs/dbraw/zinc/35/35/56/607353556.db2.gz VIDFCJBLPAMREB-UHFFFAOYSA-N 0 0 370.416 3.142 20 50 FGGDRN CC[C@@](C)(CC(=O)[O-])[NH2+]CCP(=O)(c1ccccc1)c1ccccc1 ZINC000828664715 602220473 /nfs/dbraw/zinc/22/04/73/602220473.db2.gz GRKNZFIVKWSQGY-FQEVSTJZSA-N 0 0 359.406 3.234 20 50 FGGDRN N#CC(=Cc1cc(Cl)ccc1F)C(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826379256 608215544 /nfs/dbraw/zinc/21/55/44/608215544.db2.gz NHBHGEXRQAMSGZ-NTUHNPAUSA-N 0 0 353.744 3.449 20 50 FGGDRN COc1cccc2cc(C=C(C#N)C(=O)c3cccc(-c4nn[nH]n4)c3)oc21 ZINC000826218237 608216663 /nfs/dbraw/zinc/21/66/63/608216663.db2.gz VAUIEYLTXDTBMA-XNTDXEJSSA-N 0 0 371.356 3.411 20 50 FGGDRN CCOc1ccc(NC(=O)NNc2cccc(-c3nn[nH]n3)c2)cc1Cl ZINC000825643506 608806328 /nfs/dbraw/zinc/80/63/28/608806328.db2.gz OXMXTVBKRORLGT-UHFFFAOYSA-N 0 0 373.804 3.067 20 50 FGGDRN Cc1ccc(-c2noc(C(C#N)=Cc3ccc(F)c(-c4nn[nH]n4)c3)n2)cc1 ZINC000826280477 608876790 /nfs/dbraw/zinc/87/67/90/608876790.db2.gz CYKZMPMJTLVGKB-RIYZIHGNSA-N 0 0 373.351 3.428 20 50 FGGDRN CC(C)[C@@H](Sc1ccccc1)C(=O)NNc1cccc(-c2nn[nH]n2)c1 ZINC000824207365 607336699 /nfs/dbraw/zinc/33/66/99/607336699.db2.gz VFSOAJNKPZNJJX-MRXNPFEDSA-N 0 0 368.466 3.127 20 50 FGGDRN CC(=CC(=O)NNc1ccc(-c2nn[nH]n2)cc1)c1ccccc1Cl ZINC000823944111 607340146 /nfs/dbraw/zinc/34/01/46/607340146.db2.gz XUCLHNDNUHVWAW-KHPPLWFESA-N 0 0 354.801 3.067 20 50 FGGDRN CC(C)[C@H](CC(=O)NNc1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000824192348 607342644 /nfs/dbraw/zinc/34/26/44/607342644.db2.gz IXCJOILYFZADHS-KRWDZBQOSA-N 0 0 350.426 3.140 20 50 FGGDRN O=C(NNc1cccc(-c2nn[nH]n2)c1)[C@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000826448335 607718502 /nfs/dbraw/zinc/71/85/02/607718502.db2.gz QZQKJUMTIXNADL-OALUTQOASA-N 0 0 370.416 3.267 20 50 FGGDRN C[C@@H]1CC[C@H](NC(=O)NNc2cccc(-c3nn[nH]n3)c2)c2ccccc21 ZINC000824919310 607782268 /nfs/dbraw/zinc/78/22/68/607782268.db2.gz TVMAMARYWVWNIT-PXAZEXFGSA-N 0 0 363.425 3.131 20 50 FGGDRN Cn1ccc(C=C(C#N)c2nc(-c3ccc(-c4nn[nH]n4)cc3)cs2)c1 ZINC000826362792 608109591 /nfs/dbraw/zinc/10/95/91/608109591.db2.gz IOJVUZYEINXMBT-OVCLIPMQSA-N 0 0 359.418 3.393 20 50 FGGDRN Cn1ccc(C=C(C#N)c2nc(-c3ccc(-c4nn[nH]n4)cc3)cs2)c1 ZINC000826362791 608109617 /nfs/dbraw/zinc/10/96/17/608109617.db2.gz IOJVUZYEINXMBT-NVNXTCNLSA-N 0 0 359.418 3.393 20 50 FGGDRN CC(C)Oc1cccc(C=C(C#N)C(=O)c2cccc(-c3nn[nH]n3)c2)c1 ZINC000824333848 608216206 /nfs/dbraw/zinc/21/62/06/608216206.db2.gz OAILOHFMNSIJPY-RQZCQDPDSA-N 0 0 359.389 3.444 20 50 FGGDRN N#CC(=Cc1coc(-c2ccccc2)n1)C(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826379675 608217744 /nfs/dbraw/zinc/21/77/44/608217744.db2.gz YMMKWFHRLKPYMP-YBEGLDIGSA-N 0 0 368.356 3.312 20 50 FGGDRN COc1ccc(Cl)cc1C=C(C#N)C(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826208462 608218193 /nfs/dbraw/zinc/21/81/93/608218193.db2.gz LOGJCVYUKBRWCO-RIYZIHGNSA-N 0 0 365.780 3.319 20 50 FGGDRN CCCCOc1ccccc1NC(=O)NNc1cccc(-c2nn[nH]n2)c1 ZINC000825296822 608808209 /nfs/dbraw/zinc/80/82/09/608808209.db2.gz WJEQETUPOCJJMC-UHFFFAOYSA-N 0 0 367.413 3.194 20 50 FGGDRN CCCCOc1cccc(NC(=O)NNc2cccc(-c3nn[nH]n3)c2)c1 ZINC000825296384 608808237 /nfs/dbraw/zinc/80/82/37/608808237.db2.gz GUEHBYCNRYKGPK-UHFFFAOYSA-N 0 0 367.413 3.194 20 50 FGGDRN COc1cc(Cl)ccc1C(=O)NNC(=O)c1ccccc1OC(C)C ZINC000106011506 700505980 /nfs/dbraw/zinc/50/59/80/700505980.db2.gz FCPBYYHGVZBPIK-UHFFFAOYSA-N 0 0 362.813 3.211 20 50 FGGDRN CC[C@H](C)[C@@H](C(=O)NNc1cccc(-c2nn[nH]n2)c1)c1ccccc1 ZINC000825050403 607335417 /nfs/dbraw/zinc/33/54/17/607335417.db2.gz ISAHJBZSVIBPHL-SUMWQHHRSA-N 0 0 350.426 3.140 20 50 FGGDRN O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1ccc(Oc2ccccc2)cc1 ZINC000826447133 607347437 /nfs/dbraw/zinc/34/74/37/607347437.db2.gz OTLMXIVXJNDMIL-UHFFFAOYSA-N 0 0 372.388 3.416 20 50 FGGDRN CC(C)Cc1ccc(CCC(=O)NNc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000824280809 607755798 /nfs/dbraw/zinc/75/57/98/607755798.db2.gz VCAMOSCMNPXAMM-UHFFFAOYSA-N 0 0 364.453 3.141 20 50 FGGDRN CCn1nccc1C=C(C#N)c1nc(-c2ccc(-c3nn[nH]n3)cc2)cs1 ZINC000825807013 607807170 /nfs/dbraw/zinc/80/71/70/607807170.db2.gz LYNWUJZKMUZMKI-NTEUORMPSA-N 0 0 374.433 3.271 20 50 FGGDRN CCOc1ccc(-c2nn[nH]n2)cc1NC(=O)NNc1ccccc1Cl ZINC000825626045 608808204 /nfs/dbraw/zinc/80/82/04/608808204.db2.gz GIUUKMHWZLQNEQ-UHFFFAOYSA-N 0 0 373.804 3.067 20 50 FGGDRN CCNC(=O)NNC(=O)[C@H](Sc1ccc(F)cc1F)c1ccccc1 ZINC000106018542 700506051 /nfs/dbraw/zinc/50/60/51/700506051.db2.gz TWFAUYRTMJBPRF-OAHLLOKOSA-N 0 0 365.405 3.149 20 50 FGGDRN Cc1ccc(SCCC(=O)NNc2ccc(-c3nn[nH]n3)cc2)cc1C ZINC000826292893 607355016 /nfs/dbraw/zinc/35/50/16/607355016.db2.gz RAEDFZUSFKMSLE-UHFFFAOYSA-N 0 0 368.466 3.109 20 50 FGGDRN O=C(NNc1ccc(-c2nn[nH]n2)cc1)Nc1ccc(Cl)c(Cl)c1 ZINC000826446761 607673250 /nfs/dbraw/zinc/67/32/50/607673250.db2.gz XGGCIHYLCZNBCJ-UHFFFAOYSA-N 0 0 364.196 3.322 20 50 FGGDRN C[C@@H](Sc1ccccc1Cl)C(=O)NNc1cccc(-c2nn[nH]n2)c1 ZINC000824762294 607722661 /nfs/dbraw/zinc/72/26/61/607722661.db2.gz FPGGVOMWGVGYNT-SNVBAGLBSA-N 0 0 374.857 3.144 20 50 FGGDRN N#CC(=Cc1ccc(OC(F)F)cc1)C(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826379598 608215847 /nfs/dbraw/zinc/21/58/47/608215847.db2.gz WMUKTCZAYILWJG-ZSOIEALJSA-N 0 0 367.315 3.258 20 50 FGGDRN CC1(C)CC[C@H](C(=O)NNc2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)C1 ZINC000824797191 609416406 /nfs/dbraw/zinc/41/64/06/609416406.db2.gz WYNQTQOHTSWKIO-VIFPVBQESA-N 0 0 368.363 3.155 20 50 FGGDRN COc1ccc(C=C(C#N)C(=O)c2cccc(-c3nn[nH]n3)c2)cc1Cl ZINC000826191097 608214894 /nfs/dbraw/zinc/21/48/94/608214894.db2.gz XBOBTQQOEVLYBP-AUWJEWJLSA-N 0 0 365.780 3.319 20 50 FGGDRN N#CC(=Cc1cccc(Cl)c1F)C(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826379549 608215966 /nfs/dbraw/zinc/21/59/66/608215966.db2.gz VFIJZPDMQCROJP-QPEQYQDCSA-N 0 0 353.744 3.449 20 50 FGGDRN N#CC(=Cc1ccc(-c2nn[nH]n2)cc1)C(=O)c1ccc(F)c(Cl)c1 ZINC000826379679 608288773 /nfs/dbraw/zinc/28/87/73/608288773.db2.gz YOOHHZAVHMXANN-QPEQYQDCSA-N 0 0 353.744 3.449 20 50 FGGDRN O=C(NNc1cccc(-c2nn[nH]n2)c1)Nc1cccc(Cl)c1Cl ZINC000826447992 608803576 /nfs/dbraw/zinc/80/35/76/608803576.db2.gz DERAAAREQXROOR-UHFFFAOYSA-N 0 0 364.196 3.322 20 50 FGGDRN CC[C@@H](C)[C@@H](C)C(=O)NNc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1 ZINC000825051462 609161143 /nfs/dbraw/zinc/16/11/43/609161143.db2.gz PZCLKGZVBSEZEE-RKDXNWHRSA-N 0 0 356.352 3.011 20 50 FGGDRN O=C(NNc1ccc(-c2nn[nH]n2)c(Cl)c1)Nc1cccc(Cl)c1 ZINC000826446522 609498041 /nfs/dbraw/zinc/49/80/41/609498041.db2.gz OUZXQYWGBQPHAD-UHFFFAOYSA-N 0 0 364.196 3.322 20 50 FGGDRN Cc1ccc(C=C(C#N)C(=O)OCc2ccc(-c3nn[nH]n3)cc2C)cc1 ZINC000826285542 607405725 /nfs/dbraw/zinc/40/57/25/607405725.db2.gz CEAZHSRZTUBGPA-ZDLGFXPLSA-N 0 0 359.389 3.134 20 50 FGGDRN CC(C)[C@H](CC(=O)NNc1cccc(-c2nn[nH]n2)c1)c1ccccc1 ZINC000824193141 607716691 /nfs/dbraw/zinc/71/66/91/607716691.db2.gz SYFDSNOYAVOUHO-KRWDZBQOSA-N 0 0 350.426 3.140 20 50 FGGDRN Cc1c(C(=O)NNc2cccc(-c3nn[nH]n3)c2)sc2cccc(F)c12 ZINC000826234626 607717238 /nfs/dbraw/zinc/71/72/38/607717238.db2.gz GVEDGKHGJSYYFY-UHFFFAOYSA-N 0 0 368.397 3.286 20 50 FGGDRN Cc1ccc2c(C(=O)C(C#N)=Cc3ccccc3-c3nn[nH]n3)c[nH]c2c1 ZINC000826293631 607884790 /nfs/dbraw/zinc/88/47/90/607884790.db2.gz WOYYPHBCBGIDBZ-ZROIWOOFSA-N 0 0 354.373 3.446 20 50 FGGDRN N#CC(=Cc1ccccc1OC(F)F)C(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826378899 608217155 /nfs/dbraw/zinc/21/71/55/608217155.db2.gz DBDWSSAGRHSIBW-ZSOIEALJSA-N 0 0 367.315 3.258 20 50 FGGDRN N#CC(=Cc1ccc(F)c(-c2nn[nH]n2)c1)C(=O)Nc1ccc(Cl)cc1 ZINC000826378895 608875144 /nfs/dbraw/zinc/87/51/44/608875144.db2.gz DAKUZJXNHXGHCO-YRNVUSSQSA-N 0 0 368.759 3.205 20 50 FGGDRN CC(C)Oc1ccc(Cl)cc1C(=O)NNc1ccc(-c2nn[nH]n2)cc1 ZINC000824324423 607347370 /nfs/dbraw/zinc/34/73/70/607347370.db2.gz NYPGYIMXICUDBU-UHFFFAOYSA-N 0 0 372.816 3.064 20 50 FGGDRN O=C(NNc1ccc(C(F)(F)F)cc1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000826447566 607554062 /nfs/dbraw/zinc/55/40/62/607554062.db2.gz LNZDTZIEPUUHKL-UHFFFAOYSA-N 0 0 363.303 3.034 20 50 FGGDRN Cc1c(Cl)cccc1NC(=O)C(C#N)=Cc1ccccc1-c1nn[nH]n1 ZINC000826237081 607883239 /nfs/dbraw/zinc/88/32/39/607883239.db2.gz NMEAAFIHIPQMMY-LCYFTJDESA-N 0 0 364.796 3.374 20 50 FGGDRN N#CC(=Cc1ccccc1-c1nn[nH]n1)C(=O)Nc1ccccc1Cl ZINC000826378789 607883638 /nfs/dbraw/zinc/88/36/38/607883638.db2.gz AKGWIJRIDPPGHP-FMIVXFBMSA-N 0 0 350.769 3.066 20 50 FGGDRN CC(=Cc1ccccc1Cl)C(=O)NNc1ccc(-c2nn[nH]n2)cc1 ZINC000823943778 607908893 /nfs/dbraw/zinc/90/88/93/607908893.db2.gz STRRLJLRYMZKPM-KHPPLWFESA-N 0 0 354.801 3.067 20 50 FGGDRN CC(C)Cc1ccc([C@H](C)C(=O)NNc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000824280569 608074375 /nfs/dbraw/zinc/07/43/75/608074375.db2.gz OXDPLOBXTWSZSP-AWEZNQCLSA-N 0 0 364.453 3.312 20 50 FGGDRN C=CCOc1ccc(C=C(C#N)C(=O)c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000823932453 608214089 /nfs/dbraw/zinc/21/40/89/608214089.db2.gz ZINHOSWKAXKTNE-GZTJUZNOSA-N 0 0 357.373 3.221 20 50 FGGDRN COc1c(C)cc(C=C(C#N)C(=O)c2cccc(-c3nn[nH]n3)c2)cc1C ZINC000826166812 608214811 /nfs/dbraw/zinc/21/48/11/608214811.db2.gz BXOKVCSACGDHIN-RQZCQDPDSA-N 0 0 359.389 3.282 20 50 FGGDRN N#CC(=Cc1ccccc1OC(F)F)C(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826378898 608216894 /nfs/dbraw/zinc/21/68/94/608216894.db2.gz DBDWSSAGRHSIBW-RIYZIHGNSA-N 0 0 367.315 3.258 20 50 FGGDRN CCCOc1cc(C)ccc1NC(=O)NNc1cccc(-c2nn[nH]n2)c1 ZINC000825338756 608806216 /nfs/dbraw/zinc/80/62/16/608806216.db2.gz HGMZUHRNBGGJLH-UHFFFAOYSA-N 0 0 367.413 3.113 20 50 FGGDRN CC(C)NC(=O)NNC(=O)[C@@H](Sc1ccccc1F)c1ccccc1 ZINC000106019637 700506102 /nfs/dbraw/zinc/50/61/02/700506102.db2.gz XPXHJIGTHZNKHN-INIZCTEOSA-N 0 0 361.442 3.398 20 50 FGGDRN O=C(NNc1cccc(-c2nn[nH]n2)c1)c1sc2ccccc2c1Cl ZINC000826449571 607336830 /nfs/dbraw/zinc/33/68/30/607336830.db2.gz ZDWFIIRDONJWNJ-UHFFFAOYSA-N 0 0 370.825 3.492 20 50 FGGDRN O=C(CCc1ccc(-c2ccccc2)o1)NNc1ccc(-c2nn[nH]n2)cc1 ZINC000826407982 607343493 /nfs/dbraw/zinc/34/34/93/607343493.db2.gz LESUKVURTCBEOK-UHFFFAOYSA-N 0 0 374.404 3.203 20 50 FGGDRN O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1cc(C2CC2)nc2ccccc21 ZINC000826447180 607347680 /nfs/dbraw/zinc/34/76/80/607347680.db2.gz RPRTXPREAQCPFK-UHFFFAOYSA-N 0 0 371.404 3.049 20 50 FGGDRN Cc1c2cc(F)ccc2sc1C(=O)NNc1cccc(-c2nn[nH]n2)c1 ZINC000826234655 607715056 /nfs/dbraw/zinc/71/50/56/607715056.db2.gz HTYFHEPSPNWUAW-UHFFFAOYSA-N 0 0 368.397 3.286 20 50 FGGDRN O=C(NNc1cccc(-c2nn[nH]n2)c1)C1CCC(c2ccccc2)CC1 ZINC000826448485 607720013 /nfs/dbraw/zinc/72/00/13/607720013.db2.gz XSPYJBUQMLCJPF-UHFFFAOYSA-N 0 0 362.437 3.284 20 50 FGGDRN O=C(NNc1cccc(-c2nn[nH]n2)c1)c1ccccc1Oc1ccccc1 ZINC000826448576 607720281 /nfs/dbraw/zinc/72/02/81/607720281.db2.gz AYFXLPPQWPJVKN-UHFFFAOYSA-N 0 0 372.388 3.416 20 50 FGGDRN O=C(CCCC[C@H]1CCSS1)NNc1cccc(-c2nn[nH]n2)c1 ZINC000826406248 607724529 /nfs/dbraw/zinc/72/45/29/607724529.db2.gz OASDAKYZWNRVRU-ZDUSSCGKSA-N 0 0 364.500 3.024 20 50 FGGDRN C=CCOc1ccccc1C=C(C#N)C(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000823932053 608214266 /nfs/dbraw/zinc/21/42/66/608214266.db2.gz MAQGYBWSRFKRGR-GZTJUZNOSA-N 0 0 357.373 3.221 20 50 FGGDRN CC[C@H](C)[C@H](C)C(=O)NNc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1 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COc1ccccc1C=CC=C(C#N)C(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826219272 608216425 /nfs/dbraw/zinc/21/64/25/608216425.db2.gz XFCVQXISZCRJOV-GAGKHWTPSA-N 0 0 357.373 3.221 20 50 FGGDRN N#CC(=CC=Cc1ccccc1[N+](=O)[O-])C(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826378795 608217041 /nfs/dbraw/zinc/21/70/41/608217041.db2.gz AOTKKYQRHYALCT-OGIXJBENSA-N 0 0 372.344 3.121 20 50 FGGDRN C[C@@H](CC(=O)NNc1cccc(-c2nn[nH]n2)c1)Cc1ccc(Cl)cc1 ZINC000824384564 608276294 /nfs/dbraw/zinc/27/62/94/608276294.db2.gz DUBOXGCTRAIRBH-GFCCVEGCSA-N 0 0 370.844 3.232 20 50 FGGDRN Cc1cc(C(C#N)=Cc2ccc(F)c(-c3nn[nH]n3)c2)ccc1[N+](=O)[O-] ZINC000826261552 608387243 /nfs/dbraw/zinc/38/72/43/608387243.db2.gz JNEAYUNFTLTOID-QPEQYQDCSA-N 0 0 350.313 3.287 20 50 FGGDRN O=C(NNc1c(Cl)cc(F)cc1Cl)c1ccc(-c2nn[nH]n2)s1 ZINC000826445127 608451668 /nfs/dbraw/zinc/45/16/68/608451668.db2.gz HRIOPLFBYWWSFX-UHFFFAOYSA-N 0 0 373.200 3.131 20 50 FGGDRN O=C(NNc1cccc(-c2nn[nH]n2)c1)Nc1cccc(C(F)(F)F)c1 ZINC000826447889 608803065 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ZINC000824039810 607356013 /nfs/dbraw/zinc/35/60/13/607356013.db2.gz HYNDNIXQBXFGFW-CYBMUJFWSA-N 0 0 358.405 3.267 20 50 FGGDRN O=C(NNc1ccc(-c2nn[nH]n2)cc1)C1(c2cccc(Cl)c2)CCC1 ZINC000826446507 607356119 /nfs/dbraw/zinc/35/61/19/607356119.db2.gz OKYNRWRGVBWRAM-UHFFFAOYSA-N 0 0 368.828 3.085 20 50 FGGDRN CC(C)(C)c1ccc(C=CC(=O)NNc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000824136752 607354645 /nfs/dbraw/zinc/35/46/45/607354645.db2.gz VNYFSZFNMHYPHO-MLPAPPSSSA-N 0 0 362.437 3.321 20 50 FGGDRN C[N@H+](CCP(=O)(c1ccccc1)c1ccccc1)C1(C(=O)[O-])CCCC1 ZINC000830795308 604462343 /nfs/dbraw/zinc/46/23/43/604462343.db2.gz NYIRKAOCHQOXSH-UHFFFAOYSA-N 0 0 371.417 3.330 20 50 FGGDRN Cc1cc(-c2nn[nH]n2)ccc1C(=O)NNc1ccc(Cl)cc1Cl ZINC000826249787 607711802 /nfs/dbraw/zinc/71/18/02/607711802.db2.gz UYXHOYSSRRNXSO-UHFFFAOYSA-N 0 0 363.208 3.239 20 50 FGGDRN CC1(C)Cc2cccc(C=C(C#N)C(=O)c3cccc(-c4nn[nH]n4)c3)c2O1 ZINC000824812691 608213039 /nfs/dbraw/zinc/21/30/39/608213039.db2.gz OHDMUGVLNOUPHP-LICLKQGHSA-N 0 0 371.400 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C=CCOc1ccccc1C=C(C#N)C(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000823932052 608214054 /nfs/dbraw/zinc/21/40/54/608214054.db2.gz MAQGYBWSRFKRGR-BOPFTXTBSA-N 0 0 357.373 3.221 20 50 FGGDRN CCCOc1ccc(C=C(C#N)C(=O)c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000825338696 608216161 /nfs/dbraw/zinc/21/61/61/608216161.db2.gz FIRZRMBSMGRLJU-GZTJUZNOSA-N 0 0 359.389 3.445 20 50 FGGDRN CC(C)COc1cccc(NC(=O)NNc2cccc(-c3nn[nH]n3)c2)c1 ZINC000824272542 608806861 /nfs/dbraw/zinc/80/68/61/608806861.db2.gz ZYFTVBNMGMAYCP-UHFFFAOYSA-N 0 0 367.413 3.050 20 50 FGGDRN CC(C)COc1ccccc1NC(=O)NNc1cccc(-c2nn[nH]n2)c1 ZINC000824272328 608806927 /nfs/dbraw/zinc/80/69/27/608806927.db2.gz WCAKDQXTNWOUMZ-UHFFFAOYSA-N 0 0 367.413 3.050 20 50 FGGDRN CC(C)(C)c1ccc(NNC(=O)C=Cc2ccccc2-c2nn[nH]n2)cc1 ZINC000824135478 609263149 /nfs/dbraw/zinc/26/31/49/609263149.db2.gz FNXAELKWSJJZFF-MDWZMJQESA-N 0 0 362.437 3.321 20 50 FGGDRN O=C(NN=Cc1ccc(Oc2ccccc2)o1)c1cccc(-c2nn[nH]n2)c1 ZINC000826444399 609518109 /nfs/dbraw/zinc/51/81/09/609518109.db2.gz 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ZINC000826448334 607718005 /nfs/dbraw/zinc/71/80/05/607718005.db2.gz QZQKJUMTIXNADL-MOPGFXCFSA-N 0 0 370.416 3.267 20 50 FGGDRN N#CC(=Cc1ccc2ncccc2c1)C(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826379267 608217281 /nfs/dbraw/zinc/21/72/81/608217281.db2.gz NNHQSVIAWSBNFC-LICLKQGHSA-N 0 0 352.357 3.205 20 50 FGGDRN CC[C@@H](C(=O)NN=C(C)c1ccc(-c2nn[nH]n2)c(F)c1)c1ccccc1 ZINC000825039360 609159519 /nfs/dbraw/zinc/15/95/19/609159519.db2.gz QBXJULPACZOZPY-OAHLLOKOSA-N 0 0 366.400 3.040 20 50 FGGDRN CC(C)(C)c1ccc(C=CC(=O)NNc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000824135537 607335238 /nfs/dbraw/zinc/33/52/38/607335238.db2.gz GCIZWMMFOUXVEH-XFXZXTDPSA-N 0 0 362.437 3.321 20 50 FGGDRN O=C(CCSc1ccccc1Cl)NNc1ccc(-c2nn[nH]n2)cc1 ZINC000826408097 607355382 /nfs/dbraw/zinc/35/53/82/607355382.db2.gz PJZONWKWDLZOSA-UHFFFAOYSA-N 0 0 374.857 3.146 20 50 FGGDRN C[C@@H](Sc1ccc(Cl)cc1)C(=O)NNc1cccc(-c2nn[nH]n2)c1 ZINC000824757613 607730490 /nfs/dbraw/zinc/73/04/90/607730490.db2.gz YJTYELNKQWBSJC-SNVBAGLBSA-N 0 0 374.857 3.144 20 50 FGGDRN O=C(NNc1cccc(-c2nn[nH]n2)c1)c1cc2c(cccc2Cl)s1 ZINC000826448768 607730932 /nfs/dbraw/zinc/73/09/32/607730932.db2.gz KQBKUQBLYWIPEJ-UHFFFAOYSA-N 0 0 370.825 3.492 20 50 FGGDRN O=C(NN=CCCc1c(F)cccc1Cl)c1cccc(-c2nn[nH]n2)c1 ZINC000826444604 607888884 /nfs/dbraw/zinc/88/88/84/607888884.db2.gz NAWJWDBTGPBZPU-UHFFFAOYSA-N 0 0 372.791 3.008 20 50 FGGDRN COc1c(C)cc(C=C(C#N)C(=O)c2cccc(-c3nn[nH]n3)c2)cc1C ZINC000826166811 608214661 /nfs/dbraw/zinc/21/46/61/608214661.db2.gz BXOKVCSACGDHIN-MFOYZWKCSA-N 0 0 359.389 3.282 20 50 FGGDRN CC(C)Oc1cccc(C=C(C#N)C(=O)c2cccc(-c3nn[nH]n3)c2)c1 ZINC000824333847 608216094 /nfs/dbraw/zinc/21/60/94/608216094.db2.gz OAILOHFMNSIJPY-MFOYZWKCSA-N 0 0 359.389 3.444 20 50 FGGDRN CC(C)(C)c1ccccc1NC(=O)NNc1cccc(-c2nn[nH]n2)c1 ZINC000824136008 608800283 /nfs/dbraw/zinc/80/02/83/608800283.db2.gz LVYQJNWBVVBRDJ-UHFFFAOYSA-N 0 0 351.414 3.313 20 50 FGGDRN CC(=CC(=O)NNc1cccc(-c2nn[nH]n2)c1)c1cccc(Cl)c1 ZINC000823944146 607337023 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O=C(NNc1cccc(-c2nn[nH]n2)c1)c1ccc(-c2ccccc2F)o1 ZINC000826449017 607723741 /nfs/dbraw/zinc/72/37/41/607723741.db2.gz XXLNICYLRCQSMN-UHFFFAOYSA-N 0 0 364.340 3.023 20 50 FGGDRN C[C@@H]1CC[C@@H](NC(=O)NNc2cccc(-c3nn[nH]n3)c2)c2ccccc21 ZINC000824919312 607782353 /nfs/dbraw/zinc/78/23/53/607782353.db2.gz TVMAMARYWVWNIT-SJKOYZFVSA-N 0 0 363.425 3.131 20 50 FGGDRN CCCOc1cccc(C=C(C#N)C(=O)c2cccc(-c3nn[nH]n3)c2)c1 ZINC000825341578 608216155 /nfs/dbraw/zinc/21/61/55/608216155.db2.gz FNKQVPPAPMXPPA-YVLHZVERSA-N 0 0 359.389 3.445 20 50 FGGDRN Cc1cccc(NC(=O)C(C#N)=Cc2ccc(F)c(-c3nn[nH]n3)c2)c1C ZINC000826299080 608873740 /nfs/dbraw/zinc/87/37/40/608873740.db2.gz QGKDFYVHBIGBKW-ZSOIEALJSA-N 0 0 362.368 3.168 20 50 FGGDRN CC(=NNC(=O)c1ccc2ccccc2c1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000823948513 609158905 /nfs/dbraw/zinc/15/89/05/609158905.db2.gz QDQKZTCMMMPSRD-UHFFFAOYSA-N 0 0 374.379 3.313 20 50 FGGDRN CC[C@@H](C)[C@H](C)C(=O)NNc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1 ZINC000825051459 609160844 /nfs/dbraw/zinc/16/08/44/609160844.db2.gz PZCLKGZVBSEZEE-BDAKNGLRSA-N 0 0 356.352 3.011 20 50 FGGDRN CC(C)(C)c1ccc(NNC(=O)CCc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000824135058 609176890 /nfs/dbraw/zinc/17/68/90/609176890.db2.gz ALPYQAFXCNLQJA-UHFFFAOYSA-N 0 0 364.453 3.240 20 50 FGGDRN CC1(C)CC[C@@H](C(=O)NNc2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)C1 ZINC000824797189 609416505 /nfs/dbraw/zinc/41/65/05/609416505.db2.gz WYNQTQOHTSWKIO-SECBINFHSA-N 0 0 368.363 3.155 20 50 FGGDRN C[C@@H](C(=O)NNc1cccc(-c2nn[nH]n2)c1)c1ccc2ccccc2c1 ZINC000824039999 607336651 /nfs/dbraw/zinc/33/66/51/607336651.db2.gz KJOUCDBRHLHPGC-CYBMUJFWSA-N 0 0 358.405 3.267 20 50 FGGDRN CC(=CC(=O)NNc1cccc(-c2nn[nH]n2)c1)c1cccc(Cl)c1 ZINC000823944145 607336950 /nfs/dbraw/zinc/33/69/50/607336950.db2.gz YSFUZFHLONIUBE-DHZHZOJOSA-N 0 0 354.801 3.067 20 50 FGGDRN C[C@@H](Sc1ccccc1Cl)C(=O)NNc1ccc(-c2nn[nH]n2)cc1 ZINC000824764375 607347945 /nfs/dbraw/zinc/34/79/45/607347945.db2.gz VSHXQLLKJBMXKS-SNVBAGLBSA-N 0 0 374.857 3.144 20 50 FGGDRN O=C(NNc1cccc(-c2nn[nH]n2)c1)c1cc2cc(Cl)ccc2o1 ZINC000826448816 607723554 /nfs/dbraw/zinc/72/35/54/607723554.db2.gz NCOVXMWYQMVTPW-UHFFFAOYSA-N 0 0 354.757 3.023 20 50 FGGDRN CCc1ccc(-c2ccc(C(=O)NNc3cccc(-c4nn[nH]n4)c3)o2)cc1 ZINC000825700469 607732904 /nfs/dbraw/zinc/73/29/04/607732904.db2.gz GWSVPOLYWBJKSZ-UHFFFAOYSA-N 0 0 374.404 3.446 20 50 FGGDRN CC(=Cc1ccccc1Cl)C(=O)NNc1cccc(-c2nn[nH]n2)c1 ZINC000823942372 607908158 /nfs/dbraw/zinc/90/81/58/607908158.db2.gz CQNGXAFGEBBXHI-LUAWRHEFSA-N 0 0 354.801 3.067 20 50 FGGDRN CC(C)Cc1ccc([C@@H](C)C(=O)NNc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000824280570 608074411 /nfs/dbraw/zinc/07/44/11/608074411.db2.gz OXDPLOBXTWSZSP-CQSZACIVSA-N 0 0 364.453 3.312 20 50 FGGDRN Cc1ccc(C=C(C#N)C(=O)O[C@H](C)c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000826285509 608184078 /nfs/dbraw/zinc/18/40/78/608184078.db2.gz BNCSXYDRAUJVHN-YFEUJDIGSA-N 0 0 359.389 3.387 20 50 FGGDRN N#CC(=Cc1ccccc1-c1nn[nH]n1)C(=O)c1ccc(F)c(Cl)c1 ZINC000826379344 608288593 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