smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(/N=C/c2cc(Cl)cc(Cl)c2O)cc1I ZINC000000672075 557050034 /nfs/dbraw/zinc/05/00/34/557050034.db2.gz DPPNONANRLGISL-CNHKJKLMSA-N 0 1 406.050 5.363 50 30 HKEAMN O=C(c1cccs1)C1C(=O)C(=O)N(CCc2ccccc2)[C@H]1c1ccc(Cl)cc1 ZINC000000717196 557068439 /nfs/dbraw/zinc/06/84/39/557068439.db2.gz VMMFZKZMOAGDST-FQEVSTJZSA-N 0 1 423.921 5.223 50 30 HKEAMN O=C(c1cccs1)C1C(=O)C(=O)N(CCc2ccccc2)[C@@H]1c1ccc(Cl)cc1 ZINC000000717197 557068431 /nfs/dbraw/zinc/06/84/31/557068431.db2.gz VMMFZKZMOAGDST-HXUWFJFHSA-N 0 1 423.921 5.223 50 30 HKEAMN COc1cc([N+](=O)[O-])cc(/C=N/c2ccc(-c3nc4ccccc4o3)cc2C)c1O ZINC000000725641 557073056 /nfs/dbraw/zinc/07/30/56/557073056.db2.gz HKWOHGTWFGFIHC-FSJBWODESA-N 0 1 403.394 5.176 50 30 HKEAMN O=C1c2ccccc2S/C1=C\c1cc(Br)cc(Br)c1O ZINC000000755223 557076524 /nfs/dbraw/zinc/07/65/24/557076524.db2.gz KGCDNURBZSYZIO-MLPAPPSSSA-N 0 1 412.102 5.247 50 30 HKEAMN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@@H]3c3cccs3)sc2c1 ZINC000000796056 568481410 /nfs/dbraw/zinc/48/14/10/568481410.db2.gz RDWFZGQVEBTKGS-KRWDZBQOSA-N 0 1 422.487 5.042 50 30 HKEAMN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@H]3c3cccs3)sc2c1 ZINC000000796057 568481382 /nfs/dbraw/zinc/48/13/82/568481382.db2.gz RDWFZGQVEBTKGS-QGZVFWFLSA-N 0 1 422.487 5.042 50 30 HKEAMN COc1cc([N+](=O)[O-])cc(/C=N/c2ccc(-c3nc4cc(Cl)ccc4o3)cc2)c1O ZINC000000802260 557085324 /nfs/dbraw/zinc/08/53/24/557085324.db2.gz RPPKISBBBQKOQL-FOKLQQMPSA-N 0 1 423.812 5.521 50 30 HKEAMN COc1ccc(O)c(C=Nc2ccc3nc(-c4ccc(Cl)cc4Cl)[nH]c3c2)c1 ZINC000000822269 568498602 /nfs/dbraw/zinc/49/86/02/568498602.db2.gz GLUQHJVNUPUPOR-BHGWPJFGSA-N 0 1 412.276 6.002 50 30 HKEAMN C(=Nc1ccc(-c2nc3ccc(N=Cc4ccccn4)cc3[nH]2)cc1)c1ccccn1 ZINC000000842884 568691958 /nfs/dbraw/zinc/69/19/58/568691958.db2.gz IMOCQSNVDFYADR-LPHFKDDMSA-N 0 1 402.461 5.521 50 30 HKEAMN COc1ccc(-c2nc3cc(/N=C/c4cc(Cl)cc(Cl)c4O)ccc3o2)cc1 ZINC000000859624 568713426 /nfs/dbraw/zinc/71/34/26/568713426.db2.gz ZPFKMHMMFGIFAT-BHGWPJFGSA-N 0 1 413.260 6.266 50 30 HKEAMN COc1cc([N+](=O)[O-])cc(/C=N/c2ccc3oc(-c4ccc(C)cc4)nc3c2)c1O ZINC000000864791 557105205 /nfs/dbraw/zinc/10/52/05/557105205.db2.gz VGTYGBAEOCBFEM-FSJBWODESA-N 0 1 403.394 5.176 50 30 HKEAMN COc1ccc(-c2nc3ccccc3o2)cc1/N=C/c1cc(Cl)cc(Cl)c1O ZINC000000864861 557105123 /nfs/dbraw/zinc/10/51/23/557105123.db2.gz WVZHWZVTTWQDOC-BHGWPJFGSA-N 0 1 413.260 6.266 50 30 HKEAMN COc1cc([N+](=O)[O-])cc(/C=N/c2ccc3oc(-c4cc(C)cc(C)c4)nc3c2)c1O ZINC000000868333 557106536 /nfs/dbraw/zinc/10/65/36/557106536.db2.gz LKZZXIHLXPYZSR-WYMPLXKRSA-N 0 1 417.421 5.485 50 30 HKEAMN CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1cccnc1 ZINC000000872430 568730596 /nfs/dbraw/zinc/73/05/96/568730596.db2.gz SJOSEKLVBRADKZ-RXFWQSSRSA-N 0 1 409.489 5.002 50 30 HKEAMN CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1cccnc1 ZINC000000872431 568730550 /nfs/dbraw/zinc/73/05/50/568730550.db2.gz SJOSEKLVBRADKZ-FNZWTVRRSA-N 0 1 409.489 5.002 50 30 HKEAMN CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1cccnc1 ZINC000000872432 568730494 /nfs/dbraw/zinc/73/04/94/568730494.db2.gz SJOSEKLVBRADKZ-FQRUVTKNSA-N 0 1 409.489 5.002 50 30 HKEAMN CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1cccnc1 ZINC000000872433 568730458 /nfs/dbraw/zinc/73/04/58/568730458.db2.gz SJOSEKLVBRADKZ-IBVKSMDESA-N 0 1 409.489 5.002 50 30 HKEAMN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1cccnc1 ZINC000000872442 557107264 /nfs/dbraw/zinc/10/72/64/557107264.db2.gz GWIFMXIJQVIINZ-CCLHPLFOSA-N 0 1 423.516 5.392 50 30 HKEAMN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1cccnc1 ZINC000000872443 557107350 /nfs/dbraw/zinc/10/73/50/557107350.db2.gz GWIFMXIJQVIINZ-DCFHFQCYSA-N 0 1 423.516 5.392 50 30 HKEAMN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1cccnc1 ZINC000000872444 557107384 /nfs/dbraw/zinc/10/73/84/557107384.db2.gz GWIFMXIJQVIINZ-NFQMXDRXSA-N 0 1 423.516 5.392 50 30 HKEAMN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1cccnc1 ZINC000000872445 557107342 /nfs/dbraw/zinc/10/73/42/557107342.db2.gz GWIFMXIJQVIINZ-HRFSGMKKSA-N 0 1 423.516 5.392 50 30 HKEAMN CCOc1cc([N+](=O)[O-])cc(/C=N/c2ccc3oc(-c4ccccc4)nc3c2)c1O ZINC000000880612 557109435 /nfs/dbraw/zinc/10/94/35/557109435.db2.gz BYCRXZDLYQCUQV-YDZHTSKRSA-N 0 1 403.394 5.258 50 30 HKEAMN CCOc1cc([N+](=O)[O-])cc(/C=N/c2ccc3oc(-c4cccc(C)c4)nc3c2)c1O ZINC000000880624 557109458 /nfs/dbraw/zinc/10/94/58/557109458.db2.gz LKLXTGWELBTSDK-ZMOGYAJESA-N 0 1 417.421 5.566 50 30 HKEAMN CCOc1cc([N+](=O)[O-])cc(/C=N/c2ccc3oc(-c4ccc(C)cc4)nc3c2)c1O ZINC000000880630 557109489 /nfs/dbraw/zinc/10/94/89/557109489.db2.gz UUXWYRUJVKNVCV-ZMOGYAJESA-N 0 1 417.421 5.566 50 30 HKEAMN CCOc1cc([N+](=O)[O-])cc(/C=N/c2ccc(-c3nc4ccc(C)cc4o3)cc2)c1O ZINC000000974095 557128700 /nfs/dbraw/zinc/12/87/00/557128700.db2.gz VQYLOJFCMHFVPO-ZMOGYAJESA-N 0 1 417.421 5.566 50 30 HKEAMN CCOc1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(C)=O)cc1 ZINC000000997488 557138525 /nfs/dbraw/zinc/13/85/25/557138525.db2.gz QZENSVBYISWGMT-DEOSSOPVSA-N 0 1 404.510 5.248 50 30 HKEAMN CCOc1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(C)=O)cc1 ZINC000000997489 557138435 /nfs/dbraw/zinc/13/84/35/557138435.db2.gz QZENSVBYISWGMT-XMMPIXPASA-N 0 1 404.510 5.248 50 30 HKEAMN CC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@@H]1c1ccc(OC(C)C)cc1 ZINC000000997696 557138880 /nfs/dbraw/zinc/13/88/80/557138880.db2.gz IEYJYRCXCDUMSQ-VWLOTQADSA-N 0 1 418.537 5.637 50 30 HKEAMN CC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@H]1c1ccc(OC(C)C)cc1 ZINC000000997697 557138874 /nfs/dbraw/zinc/13/88/74/557138874.db2.gz IEYJYRCXCDUMSQ-RUZDIDTESA-N 0 1 418.537 5.637 50 30 HKEAMN C=C[C@@H]1C[N@@H+]2CC[C@H]1C[C@H]2[C@@H](OC(=O)c1ccc(C)cc1)c1ccnc2ccccc21 ZINC000001017391 568762407 /nfs/dbraw/zinc/76/24/07/568762407.db2.gz IJEDEOROYPBLGO-RHUJPPKVSA-N 0 1 412.533 5.338 50 30 HKEAMN Cc1ccc2cc(/N=C/c3cc(Cl)cc(I)c3O)ccc2n1 ZINC000001021430 526223792 /nfs/dbraw/zinc/22/37/92/526223792.db2.gz NANMHSMXYDSPMV-AWQFTUOYSA-N 0 1 422.653 5.257 50 30 HKEAMN Oc1c(I)cc(Cl)cc1/C=N/c1ccc2ccccc2c1 ZINC000001021432 557144130 /nfs/dbraw/zinc/14/41/30/557144130.db2.gz NLMRLWJSBBJMSQ-KEBDBYFISA-N 0 1 407.638 5.554 50 30 HKEAMN N#Cc1ccc(S(=O)(=O)Nc2ccccc2Oc2ccc(Cl)cc2Cl)cc1 ZINC000001024141 568763379 /nfs/dbraw/zinc/76/33/79/568763379.db2.gz VOANLBOQGYULFI-UHFFFAOYSA-N 0 1 419.289 5.458 50 30 HKEAMN Oc1c(Br)cc(Br)cc1/C=N/c1ccc2ncccc2c1 ZINC000001027642 557145657 /nfs/dbraw/zinc/14/56/57/557145657.db2.gz XLDGHWIBOVCLJB-AWQFTUOYSA-N 0 1 406.077 5.216 50 30 HKEAMN Cc1ccc(/N=C/c2cc(Br)cc(Br)c2O)cc1N(C)C ZINC000001027958 557145681 /nfs/dbraw/zinc/14/56/81/557145681.db2.gz PHVSGIVQLBCKQW-DJKKODMXSA-N 0 1 412.125 5.042 50 30 HKEAMN N#Cc1c(=O)[nH]c(Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])nc1C1CCCCC1 ZINC000001043289 568764440 /nfs/dbraw/zinc/76/44/40/568764440.db2.gz BVWCKDMNROTYMZ-UHFFFAOYSA-N 0 1 424.404 5.180 50 30 HKEAMN CC(C)(C)c1ccc(NC(=O)CSc2nc(C3CCCCC3)c(C#N)c(=O)[nH]2)cc1 ZINC000001043294 568764408 /nfs/dbraw/zinc/76/44/08/568764408.db2.gz OLHLKONSFGSLGT-UHFFFAOYSA-N 0 1 424.570 5.130 50 30 HKEAMN O=C1Nc2ccccc2[C@H]1Cc1ccc(/N=C/c2cc(Cl)cc(Cl)c2O)cc1 ZINC000001045522 557156061 /nfs/dbraw/zinc/15/60/61/557156061.db2.gz SHQKYUAAGDCTNR-LLXCYVELSA-N 0 1 411.288 5.728 50 30 HKEAMN CCOc1cc(/C=N/c2sc3c(c2C#N)CCCC3)cc(Br)c1O ZINC000001090974 557177234 /nfs/dbraw/zinc/17/72/34/557177234.db2.gz CSMOEOKNYCLWFZ-UFFVCSGVSA-N 0 1 405.317 5.116 50 30 HKEAMN Cc1c(Cl)cccc1/N=C/c1cc(Br)cc(Br)c1O ZINC000001107520 557180694 /nfs/dbraw/zinc/18/06/94/557180694.db2.gz ISOXAQLFOKUISJ-CNHKJKLMSA-N 0 1 403.501 5.630 50 30 HKEAMN COc1ccc([C@H]2C3C(=O)CCCC3=Nc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000001169246 557223062 /nfs/dbraw/zinc/22/30/62/557223062.db2.gz FQKWLLMAZVJLOE-SANMLTNESA-N 0 1 424.500 5.516 50 30 HKEAMN COc1ccc([C@@H]2C3C(=O)CCCC3=Nc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000001169247 557223050 /nfs/dbraw/zinc/22/30/50/557223050.db2.gz FQKWLLMAZVJLOE-AREMUKBSSA-N 0 1 424.500 5.516 50 30 HKEAMN COc1ccccc1/N=C/c1c2c(cc(Br)c1O)oc1c2CCCC1 ZINC000001195866 568823121 /nfs/dbraw/zinc/82/31/21/568823121.db2.gz UQJNDVXCPPAXHL-SSDVNMTOSA-N 0 1 400.272 5.539 50 30 HKEAMN CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1cccs1 ZINC000001200617 557239117 /nfs/dbraw/zinc/23/91/17/557239117.db2.gz FLANDASYZIJADQ-AVRWGWEMSA-N 0 1 414.530 5.669 50 30 HKEAMN CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1cccs1 ZINC000001200620 557239140 /nfs/dbraw/zinc/23/91/40/557239140.db2.gz FLANDASYZIJADQ-BVZFJXPGSA-N 0 1 414.530 5.669 50 30 HKEAMN CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1cccs1 ZINC000001200624 557239100 /nfs/dbraw/zinc/23/91/00/557239100.db2.gz FLANDASYZIJADQ-IQGLISFBSA-N 0 1 414.530 5.669 50 30 HKEAMN CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1cccs1 ZINC000001200627 557239130 /nfs/dbraw/zinc/23/91/30/557239130.db2.gz FLANDASYZIJADQ-CJAUYULYSA-N 0 1 414.530 5.669 50 30 HKEAMN Cc1ccc(NC(=O)C[C@@H]2S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1 ZINC000001208209 557242090 /nfs/dbraw/zinc/24/20/90/557242090.db2.gz QWMXSZJUBPSCOK-TYGLDRHGSA-N 0 1 415.518 5.160 50 30 HKEAMN Cc1ccc(NC(=O)C[C@H]2S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1 ZINC000001208214 557242182 /nfs/dbraw/zinc/24/21/82/557242182.db2.gz QWMXSZJUBPSCOK-MONKAWABSA-N 0 1 415.518 5.160 50 30 HKEAMN Oc1c(Br)cc2oc3c(c2c1/C=N/c1ccccc1Cl)CCCC3 ZINC000001249282 568908583 /nfs/dbraw/zinc/90/85/83/568908583.db2.gz GPSKPAWGKRXMDI-LSHDLFTRSA-N 0 1 404.691 6.184 50 30 HKEAMN CC[C@H](C)c1ccc(OCCn2cccc2C=NNc2nc3ccccc3s2)cc1 ZINC000001255775 571309625 /nfs/dbraw/zinc/30/96/25/571309625.db2.gz QGROXQTVNRVRMD-WLXKGNRNSA-N 0 1 418.566 6.136 50 30 HKEAMN CC[C@H](C)c1ccc(OCCn2cccc2C=[NH+][N-]c2nc3ccccc3s2)cc1 ZINC000001255775 571309626 /nfs/dbraw/zinc/30/96/26/571309626.db2.gz QGROXQTVNRVRMD-WLXKGNRNSA-N 0 1 418.566 6.136 50 30 HKEAMN CC(C)c1ccc(OCCn2cccc2C=NNc2nc3ccccc3s2)cc1 ZINC000001266901 571306508 /nfs/dbraw/zinc/30/65/08/571306508.db2.gz JLDSKUMFEOPFPB-LFVJCYFKSA-N 0 1 404.539 5.746 50 30 HKEAMN CC(C)c1ccc(OCCn2cccc2C=[NH+][N-]c2nc3ccccc3s2)cc1 ZINC000001266901 571306509 /nfs/dbraw/zinc/30/65/09/571306509.db2.gz JLDSKUMFEOPFPB-LFVJCYFKSA-N 0 1 404.539 5.746 50 30 HKEAMN Oc1c(Br)cc2oc3c(c2c1/C=N/c1ccc(Cl)cc1)CCCC3 ZINC000001300496 568913150 /nfs/dbraw/zinc/91/31/50/568913150.db2.gz RCTPALLYQPNCHF-LSHDLFTRSA-N 0 1 404.691 6.184 50 30 HKEAMN COc1cc([N+](=O)[O-])cc(/C=N/c2cc(C(F)(F)F)ccc2N2CCCCC2)c1O ZINC000001311032 560728280 /nfs/dbraw/zinc/72/82/80/560728280.db2.gz XYCOXEKDONYOQM-WYMPLXKRSA-N 0 1 423.391 5.069 50 30 HKEAMN COc1cc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc(Cl)c1O ZINC000001413071 568933266 /nfs/dbraw/zinc/93/32/66/568933266.db2.gz XUIZNACXPXQZGW-DKZNWEEVSA-N 0 1 402.947 5.889 50 30 HKEAMN COc1cc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc(Cl)c1O ZINC000001413073 568933276 /nfs/dbraw/zinc/93/32/76/568933276.db2.gz XUIZNACXPXQZGW-DDFZXGMKSA-N 0 1 402.947 5.889 50 30 HKEAMN COc1ccc(-c2nc3ccc(/N=C/c4cc(Cl)cc(Cl)c4O)cc3o2)cc1 ZINC000001433897 568941485 /nfs/dbraw/zinc/94/14/85/568941485.db2.gz WMHFEPSWXOVBRW-BHGWPJFGSA-N 0 1 413.260 6.266 50 30 HKEAMN CCOC(=O)c1ccc(/N=C/c2c(C)c(Cl)c(C)c(Br)c2O)cc1 ZINC000001435279 568951266 /nfs/dbraw/zinc/95/12/66/568951266.db2.gz WSUWWSMMGDDZIC-ZVBGSRNCSA-N 0 1 410.695 5.352 50 30 HKEAMN COc1cccc(-c2nc3cc(/N=C/c4cc(Cl)cc(Cl)c4O)ccc3o2)c1 ZINC000001435688 568951824 /nfs/dbraw/zinc/95/18/24/568951824.db2.gz KHUZDCGTIPIIDR-BHGWPJFGSA-N 0 1 413.260 6.266 50 30 HKEAMN COc1ccc(/N=C/c2cc(Br)cc(Br)c2O)cc1Cl ZINC000001444195 557265453 /nfs/dbraw/zinc/26/54/53/557265453.db2.gz PWCDLJAGRYGNAU-CNHKJKLMSA-N 0 1 419.500 5.330 50 30 HKEAMN COc1cc(Br)cc(/C=N/c2cc(C(C)(C)C)cc(Cl)c2O)c1O ZINC000001506194 557270650 /nfs/dbraw/zinc/27/06/50/557270650.db2.gz IFDAPYPRRRJFIJ-ZVBGSRNCSA-N 0 1 412.711 5.570 50 30 HKEAMN CCCCCCCn1c2ccccc2nc1NCc1cc(Cl)cc(Cl)c1O ZINC000001752066 569051944 /nfs/dbraw/zinc/05/19/44/569051944.db2.gz JESXGLPBPFZVAQ-UHFFFAOYSA-N 0 1 406.357 6.631 50 30 HKEAMN CC(C)c1n[nH]c(=S)n1N=Cc1ccccc1OCc1ccc(Cl)cc1Cl ZINC000001807355 569053597 /nfs/dbraw/zinc/05/35/97/569053597.db2.gz OJEXRPDXNRSGLA-LSHDLFTRSA-N 0 1 421.353 5.832 50 30 HKEAMN CCCCCCCCn1c2ccccc2nc1NCc1cc(Cl)cc(Cl)c1O ZINC000001834174 569056382 /nfs/dbraw/zinc/05/63/82/569056382.db2.gz ACANJQDGNANEMR-UHFFFAOYSA-N 0 1 420.384 7.021 50 30 HKEAMN Fc1ccccc1Cn1cc(C=NNc2nc3ccccc3s2)c2ccccc21 ZINC000001839406 571305247 /nfs/dbraw/zinc/30/52/47/571305247.db2.gz HHIPNNMKDSZUIZ-DHRITJCHSA-N 0 1 400.482 5.884 50 30 HKEAMN Clc1ccc(Cn2cc(C=NNc3nc4ccccc4s3)c3ccccc32)cc1 ZINC000001846267 571310478 /nfs/dbraw/zinc/31/04/78/571310478.db2.gz ZIIUFBKILLONEN-DHRITJCHSA-N 0 1 416.937 6.399 50 30 HKEAMN C(=NNc1nc2ccccc2s1)c1cn(CCOc2ccccc2)c2ccccc12 ZINC000001849358 571304316 /nfs/dbraw/zinc/30/43/16/571304316.db2.gz SVVVLPJPCVXILH-PCLIKHOPSA-N 0 1 412.518 5.776 50 30 HKEAMN Oc1c(Cl)cc(Cl)cc1/C=N/c1cc(C(F)(F)F)ccc1N1CCCC1 ZINC000001849451 569056578 /nfs/dbraw/zinc/05/65/78/569056578.db2.gz NKYLDHDEMZHXRN-YSURURNPSA-N 0 1 403.231 6.069 50 30 HKEAMN Oc1c(Cl)cc(Cl)cc1/C=N/c1cc(C(F)(F)F)ccc1N1CCCCC1 ZINC000001852954 560558603 /nfs/dbraw/zinc/55/86/03/560558603.db2.gz UTLWRMKKFFXXCR-OPEKNORGSA-N 0 1 417.258 6.459 50 30 HKEAMN Cc1cc(OCCn2cccc2C=NNc2nc3ccccc3s2)ccc1Cl ZINC000001858034 571307835 /nfs/dbraw/zinc/30/78/35/571307835.db2.gz LWBSPSMLCQASNL-OEAKJJBVSA-N 0 1 410.930 5.585 50 30 HKEAMN Oc1c(Br)cc(Br)cc1/C=N/c1ccc(Cl)cc1Cl ZINC000001881140 557293975 /nfs/dbraw/zinc/29/39/75/557293975.db2.gz UFINEEIZCZTZDM-NGYBGAFCSA-N 0 1 423.919 5.975 50 30 HKEAMN Oc1c(Cl)cc(Cl)cc1/C=N/c1ccc2oc(-c3cccc(F)c3)nc2c1 ZINC000001881341 526325170 /nfs/dbraw/zinc/32/51/70/526325170.db2.gz OTLMCBZBBWDHHN-YSURURNPSA-N 0 1 401.224 6.397 50 30 HKEAMN COc1cc(C=Nn2c(=S)[nH]nc2C2CCCCC2)ccc1OCc1ccccc1 ZINC000001901749 557295204 /nfs/dbraw/zinc/29/52/04/557295204.db2.gz GGCWCWYQAXTARR-BUVRLJJBSA-N 0 1 422.554 5.458 50 30 HKEAMN CC(C)(C)c1cc(Cl)c(O)c(/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)c1 ZINC000001924029 569059656 /nfs/dbraw/zinc/05/96/56/569059656.db2.gz ULBYHEBLBKSAOQ-OPEKNORGSA-N 0 1 422.739 7.661 50 30 HKEAMN Oc1c(Cl)cc(Cl)cc1/C=N/c1ccc2oc(-c3ccccc3F)nc2c1 ZINC000001952130 557297678 /nfs/dbraw/zinc/29/76/78/557297678.db2.gz SWDXBHSIKBCPDJ-YSURURNPSA-N 0 1 401.224 6.397 50 30 HKEAMN Oc1ccc(/N=C/c2ccc(Br)cc2)cc1-c1nc2ccccc2s1 ZINC000001952409 569059929 /nfs/dbraw/zinc/05/99/29/569059929.db2.gz HRTBLDDGDRYBPA-WSDLNYQXSA-N 0 1 409.308 6.182 50 30 HKEAMN Oc1c(Br)cc(Br)cc1/C=N\c1cccc(C(F)(F)F)c1 ZINC000001957532 569060021 /nfs/dbraw/zinc/06/00/21/569060021.db2.gz ZXVWFYFIVMFPKZ-SCDVKCJHSA-N 0 1 423.026 5.687 50 30 HKEAMN Oc1c(Br)cc(Br)cc1/C=N\c1ccc(F)c(Cl)c1 ZINC000001957721 569060012 /nfs/dbraw/zinc/06/00/12/569060012.db2.gz YEBYSGXCCMHYAX-FXBPXSCXSA-N 0 1 407.464 5.460 50 30 HKEAMN Oc1c(Cl)cc(Cl)cc1/C=N/c1ccc2oc(-c3ccc(F)cc3F)nc2c1 ZINC000002053167 557301595 /nfs/dbraw/zinc/30/15/95/557301595.db2.gz LQIHIKOCWFGMCT-YCPBAFNGSA-N 0 1 419.214 6.536 50 30 HKEAMN O=C(Nc1ccccc1)c1cc2ccccc2c(/C=N/c2ccc(Cl)cc2)c1O ZINC000002086786 557311684 /nfs/dbraw/zinc/31/16/84/557311684.db2.gz JAMPDRYNTOTBBC-CVKSISIWSA-N 0 1 400.865 6.202 50 30 HKEAMN CC[C@@](C#N)(c1ccccc1)c1ccc(/N=C/c2cc(Cl)cc(Cl)c2O)cc1 ZINC000002143983 557318728 /nfs/dbraw/zinc/31/87/28/557318728.db2.gz ZXLQTUBNYVGHST-VXYCCBPDSA-N 0 1 409.316 6.669 50 30 HKEAMN CC[C@](C#N)(c1ccccc1)c1ccc(/N=C/c2cc(Cl)cc(Cl)c2O)cc1 ZINC000002143986 557318650 /nfs/dbraw/zinc/31/86/50/557318650.db2.gz ZXLQTUBNYVGHST-HEMYWOPUSA-N 0 1 409.316 6.669 50 30 HKEAMN N#Cc1c(=O)[nH]c(-c2ccccc2OCc2ccccc2)cc1-c1ccc(Cl)cc1 ZINC000002182805 569293615 /nfs/dbraw/zinc/29/36/15/569293615.db2.gz XMMPPBBURBYFQD-UHFFFAOYSA-N 0 1 412.876 5.813 50 30 HKEAMN CCCC1S/C(=N\N=C\c2cccs2)N(Cc2cccc3ccccc32)C1=O ZINC000002199185 569294785 /nfs/dbraw/zinc/29/47/85/569294785.db2.gz DCQBXIAHENZUTI-IIGRLWHBSA-N 0 1 407.564 5.536 50 30 HKEAMN CC(C)(C)c1ccc(-c2n[nH]c(=S)n2N=Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000002199208 557326086 /nfs/dbraw/zinc/32/60/86/557326086.db2.gz MUFCLWAKVXJBIC-SSDVNMTOSA-N 0 1 405.354 6.094 50 30 HKEAMN Cc1ccc(/C=N/N=C2\SC(C)C(=O)N2Cc2cccc3ccccc32)c(C)c1 ZINC000002199307 569294746 /nfs/dbraw/zinc/29/47/46/569294746.db2.gz GIXWLNKBJJGFOB-GAWNTTMRSA-N 0 1 401.535 5.311 50 30 HKEAMN Cc1ccc(-c2nc3cc(/N=C/c4cc(Cl)cc(Cl)c4O)ccc3o2)cc1C ZINC000002210552 569307081 /nfs/dbraw/zinc/30/70/81/569307081.db2.gz IJZFUKRREKCWDL-OPEKNORGSA-N 0 1 411.288 6.875 50 30 HKEAMN CCOc1ccc(-c2n[nH]c(=S)n2N=Cc2c3ccccc3cc3ccccc32)cc1 ZINC000002215156 569309770 /nfs/dbraw/zinc/30/97/70/569309770.db2.gz VXKSCQAWPNIKKI-WGOQTCKBSA-N 0 1 424.529 6.195 50 30 HKEAMN COc1cc([N+](=O)[O-])cc(/C=N/c2ccc3oc(-c4ccc(C)c(C)c4)nc3c2)c1O ZINC000002215211 569309754 /nfs/dbraw/zinc/30/97/54/569309754.db2.gz JJUXJXOLZZCAFV-WYMPLXKRSA-N 0 1 417.421 5.485 50 30 HKEAMN CCC1S/C(=N\N=C\c2cccc3ccccc23)N(Cc2ccc(OC)cc2)C1=O ZINC000002219291 569312107 /nfs/dbraw/zinc/31/21/07/569312107.db2.gz XIHYHVVFWMMUCK-JYAWBRCSSA-N 0 1 417.534 5.093 50 30 HKEAMN COc1cc(C=Nn2c(=S)[nH]nc2-c2ccccc2)ccc1OCc1ccccc1 ZINC000002233042 557329677 /nfs/dbraw/zinc/32/96/77/557329677.db2.gz MNAVICLDNOSQGO-BUVRLJJBSA-N 0 1 416.506 5.077 50 30 HKEAMN COc1ccc(-c2n[nH]c(=S)n2N=Cc2ccc(OCc3ccccc3)cc2)cc1 ZINC000002235228 557329692 /nfs/dbraw/zinc/32/96/92/557329692.db2.gz LHLQETWCXXHETK-BUVRLJJBSA-N 0 1 416.506 5.077 50 30 HKEAMN CCCCCOc1ccc(C=Nn2c(=S)[nH]nc2-c2ccc(C(C)(C)C)cc2)cc1 ZINC000002238154 557329963 /nfs/dbraw/zinc/32/99/63/557329963.db2.gz XVLJZDLCUULIPN-KOEQRZSOSA-N 0 1 422.598 6.356 50 30 HKEAMN Oc1c(Br)cc(Br)cc1/C=N/c1ccccc1N1CCCC1 ZINC000002240638 569323582 /nfs/dbraw/zinc/32/35/82/569323582.db2.gz GDKUEFUGSSOXMF-RGVLZGJSSA-N 0 1 424.136 5.268 50 30 HKEAMN CCCCC1S/C(=N\N=C\c2ccc(Cl)cc2)N(Cc2ccccc2C)C1=O ZINC000002260075 569324963 /nfs/dbraw/zinc/32/49/63/569324963.db2.gz LJGVTRXEFQGBTI-KVZWLNNISA-N 0 1 413.974 5.673 50 30 HKEAMN CCC1S/C(=N\N=C\c2ccc(C)cc2C)N(Cc2cccc3ccccc32)C1=O ZINC000002260108 569324994 /nfs/dbraw/zinc/32/49/94/569324994.db2.gz AJDWCAPTDNGUFZ-VDFJPTLYSA-N 0 1 415.562 5.701 50 30 HKEAMN CCCC1S/C(=N\N=C\c2cccc3ccccc23)N(Cc2ccccc2)C1=O ZINC000002263114 569325463 /nfs/dbraw/zinc/32/54/63/569325463.db2.gz HCWNLRXQCUAPJV-LIQAOFCOSA-N 0 1 401.535 5.474 50 30 HKEAMN COc1ccc2ccccc2c1C=Nn1c(=S)[nH]nc1-c1ccc(C(C)(C)C)cc1 ZINC000002276470 557333608 /nfs/dbraw/zinc/33/36/08/557333608.db2.gz NHYNDXOVPCKWIC-MFKUBSTISA-N 0 1 416.550 5.949 50 30 HKEAMN Oc1c(Br)cc2oc3c(c2c1/C=N/c1cccc2ccccc21)CCCC3 ZINC000002277072 569327898 /nfs/dbraw/zinc/32/78/98/569327898.db2.gz PMXXGBARTDUGJX-DHRITJCHSA-N 0 1 420.306 6.684 50 30 HKEAMN CCN(CC)c1ccc(C=Nn2c(=S)[nH]nc2-c2ccc(C(C)(C)C)cc2)c(O)c1 ZINC000002280290 557334109 /nfs/dbraw/zinc/33/41/09/557334109.db2.gz IZXFIYAGQGXNHL-BUVRLJJBSA-N 0 1 423.586 5.339 50 30 HKEAMN COc1ccc(-c2n[nH]c(=S)n2N=Cc2cccc(Oc3ccccc3)c2)cc1 ZINC000002280404 557334101 /nfs/dbraw/zinc/33/41/01/557334101.db2.gz KNQWYBOPQVFFLP-HZHRSRAPSA-N 0 1 402.479 5.291 50 30 HKEAMN COc1ccc(/N=C/c2c3c(cc(Br)c2O)oc2c3CCCC2)cc1 ZINC000002283385 569364415 /nfs/dbraw/zinc/36/44/15/569364415.db2.gz VCZDMSYUCSXGEM-SSDVNMTOSA-N 0 1 400.272 5.539 50 30 HKEAMN Oc1c(Br)cc2oc3c(c2c1/C=N/c1cccc(Cl)c1)CCCC3 ZINC000002299863 569370062 /nfs/dbraw/zinc/37/00/62/569370062.db2.gz PRRDWPZZUPKACL-LSHDLFTRSA-N 0 1 404.691 6.184 50 30 HKEAMN CN(C)c1ccc(/N=C/c2c3c(cc(Br)c2O)oc2c3CCCC2)cc1 ZINC000002300006 569369923 /nfs/dbraw/zinc/36/99/23/569369923.db2.gz VIZZDOJXINLFMG-FSJBWODESA-N 0 1 413.315 5.596 50 30 HKEAMN CC1S/C(=N\N=C\c2ccc(Cl)cc2)N(Cc2cccc3ccccc32)C1=O ZINC000002308149 569372703 /nfs/dbraw/zinc/37/27/03/569372703.db2.gz LLWGNAGAPXUASA-CNOSZWPESA-N 0 1 407.926 5.347 50 30 HKEAMN CC(C)(C)c1ccc(-c2n[nH]c(=S)n2N=Cc2cccc(Cl)c2Cl)cc1 ZINC000002318343 557336954 /nfs/dbraw/zinc/33/69/54/557336954.db2.gz VZCSYUHRRGNDKC-SSDVNMTOSA-N 0 1 405.354 6.094 50 30 HKEAMN CC(C)(C)c1ccc(-c2n[nH]c(=S)n2N=Cc2c(Cl)cccc2Cl)cc1 ZINC000002318698 557336973 /nfs/dbraw/zinc/33/69/73/557336973.db2.gz JETHSXMWVXMJRE-SSDVNMTOSA-N 0 1 405.354 6.094 50 30 HKEAMN COc1ccc(C=Nn2c(=S)[nH]nc2C2CCCCC2)cc1OCc1ccccc1 ZINC000002320883 557337010 /nfs/dbraw/zinc/33/70/10/557337010.db2.gz LIIPJIDGBHWUKM-BUVRLJJBSA-N 0 1 422.554 5.458 50 30 HKEAMN CCCCC1S/C(=N\N=C\c2cccc3ccccc23)N(Cc2ccccc2)C1=O ZINC000002321891 569375162 /nfs/dbraw/zinc/37/51/62/569375162.db2.gz PJBLWWOSBWUEIB-DHPWMCHXSA-N 0 1 415.562 5.864 50 30 HKEAMN CCn1c2ccccc2c2cc(C=Nn3c(=S)[nH]nc3C3CCCCC3)ccc21 ZINC000002321966 557337215 /nfs/dbraw/zinc/33/72/15/557337215.db2.gz QKYLORIVDIBZMX-BUVRLJJBSA-N 0 1 403.555 5.998 50 30 HKEAMN COc1ccc(C=Nn2c(=S)[nH]nc2-c2ccccc2)cc1OCc1ccccc1 ZINC000002324742 557337452 /nfs/dbraw/zinc/33/74/52/557337452.db2.gz LTCGAUWPJQSSCA-BUVRLJJBSA-N 0 1 416.506 5.077 50 30 HKEAMN CCCCC1S/C(=N\N=C\c2ccc(N(C)C)cc2)N(Cc2ccccc2C)C1=O ZINC000002324769 569375365 /nfs/dbraw/zinc/37/53/65/569375365.db2.gz YQUPKFFMVYWKGH-LIQAOFCOSA-N 0 1 422.598 5.085 50 30 HKEAMN CC(C)(C)c1ccc(-c2n[nH]c(=S)n2N=Cc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000002326785 557337494 /nfs/dbraw/zinc/33/74/94/557337494.db2.gz OMFFLVJLTYTMAE-SRZZPIQSSA-N 0 1 415.906 5.349 50 30 HKEAMN CCn1c2ccccc2c2cc(C=Nn3c(=S)[nH]nc3-c3ccccc3C)ccc21 ZINC000002326894 557337400 /nfs/dbraw/zinc/33/74/00/557337400.db2.gz VZCJVVMRGNULRA-MFKUBSTISA-N 0 1 411.534 5.926 50 30 HKEAMN Cc1ccc(-c2n[nH]c(=S)n2N=Cc2ccc(OCc3ccccc3)cc2)cc1 ZINC000002327581 557337424 /nfs/dbraw/zinc/33/74/24/557337424.db2.gz CUTFZEZNOZKJJF-BUVRLJJBSA-N 0 1 400.507 5.377 50 30 HKEAMN CCCCC1S/C(=N\N=C\c2ccc(C)cc2C)N(Cc2ccccc2C)C1=O ZINC000002328149 569375532 /nfs/dbraw/zinc/37/55/32/569375532.db2.gz WCTSUQOMKZPMGE-JYAWBRCSSA-N 0 1 407.583 5.636 50 30 HKEAMN CCC1S/C(=N\N=C\c2ccc(OC)cc2)N(Cc2cccc3ccccc32)C1=O ZINC000002331027 569375811 /nfs/dbraw/zinc/37/58/11/569375811.db2.gz JDNUEOWPQRBVJU-MNWLEOAJSA-N 0 1 417.534 5.093 50 30 HKEAMN CCC1S/C(=N\N=C\c2cccc3ccccc23)N(Cc2ccc(F)cc2)C1=O ZINC000002331246 569375772 /nfs/dbraw/zinc/37/57/72/569375772.db2.gz PMFKVTALUGFERM-LFUMJXIHSA-N 0 1 405.498 5.223 50 30 HKEAMN O=C1c2ccccc2C2=Nc3ccccc3S[C@@H](c3ccccc3Br)C12 ZINC000002336203 557338039 /nfs/dbraw/zinc/33/80/39/557338039.db2.gz SMYXPQVJFUUVMW-QFIPXVFZSA-N 0 1 420.331 6.316 50 30 HKEAMN O=C1c2ccccc2C2=Nc3ccccc3S[C@H](c3ccccc3Br)C12 ZINC000002336205 557337917 /nfs/dbraw/zinc/33/79/17/557337917.db2.gz SMYXPQVJFUUVMW-JOCHJYFZSA-N 0 1 420.331 6.316 50 30 HKEAMN CCCCC1S/C(=N\N=C\c2ccc(C)cc2C)N(Cc2ccc(F)cc2)C1=O ZINC000002338324 569376148 /nfs/dbraw/zinc/37/61/48/569376148.db2.gz CBXLGGVASYWVNZ-LFUMJXIHSA-N 0 1 411.546 5.467 50 30 HKEAMN COc1ccc(-c2n[nH]c(=S)n2N=Cc2c3ccccc3cc3ccccc32)cc1 ZINC000002339615 557338272 /nfs/dbraw/zinc/33/82/72/557338272.db2.gz QXEDDNFPEDMUTB-MFKUBSTISA-N 0 1 410.502 5.805 50 30 HKEAMN CC(C)(C)c1ccc(-c2n[nH]c(=S)n2N=Cc2ccc(Br)cc2)cc1 ZINC000002340388 557338598 /nfs/dbraw/zinc/33/85/98/557338598.db2.gz GWPMKJRFDFBKFC-CIAFOILYSA-N 0 1 415.360 5.550 50 30 HKEAMN CCN(CC)c1ccc(C=Nn2c(=S)[nH]nc2-c2ccc(C(C)(C)C)cc2)cc1 ZINC000002342741 557338564 /nfs/dbraw/zinc/33/85/64/557338564.db2.gz WXHXIYBEESTNMR-LFVJCYFKSA-N 0 1 407.587 5.634 50 30 HKEAMN CCCC1S/C(=N\N=C\c2cccc3ccccc23)N(Cc2ccccc2C)C1=O ZINC000002343171 569376520 /nfs/dbraw/zinc/37/65/20/569376520.db2.gz MWGUENIFBORDOX-WCQPBMKCSA-N 0 1 415.562 5.782 50 30 HKEAMN CC(C)(C)c1ccc(-c2n[nH]c(=S)n2N=Cc2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000002345611 557338760 /nfs/dbraw/zinc/33/87/60/557338760.db2.gz GNDBUUVSEVJQFH-SRZZPIQSSA-N 0 1 415.906 5.349 50 30 HKEAMN CCn1c2ccccc2c2cc(C=Nn3c(=S)[nH]nc3-c3ccc(C)cc3)ccc21 ZINC000002349719 557339244 /nfs/dbraw/zinc/33/92/44/557339244.db2.gz PSKZKZOLGZSOLP-MFKUBSTISA-N 0 1 411.534 5.926 50 30 HKEAMN CC(C)(C)c1ccc(-c2n[nH]c(=S)n2N=Cc2ccc(Cl)cc2Cl)cc1 ZINC000002349808 557339362 /nfs/dbraw/zinc/33/93/62/557339362.db2.gz YQXKGUJOMJIAFQ-SSDVNMTOSA-N 0 1 405.354 6.094 50 30 HKEAMN CCCCC1S/C(=N\N=C\c2ccc(Cl)cc2)N(Cc2ccc(F)cc2)C1=O ZINC000002351483 569381362 /nfs/dbraw/zinc/38/13/62/569381362.db2.gz LOLKGDPOQFSHNT-UZHBQURLSA-N 0 1 417.937 5.503 50 30 HKEAMN CCCCC1S/C(=N\N=C\c2ccccc2OC)N(Cc2ccccc2C)C1=O ZINC000002352040 569381399 /nfs/dbraw/zinc/38/13/99/569381399.db2.gz VRFQWUJFWUXMCH-LSIOVLHASA-N 0 1 409.555 5.028 50 30 HKEAMN CCCCC1S/C(=N\N=C\c2ccco2)N(Cc2cccc3ccccc32)C1=O ZINC000002354614 569385242 /nfs/dbraw/zinc/38/52/42/569385242.db2.gz NMXVGXJUXGIFNT-LSIOVLHASA-N 0 1 405.523 5.457 50 30 HKEAMN CCC1S/C(=N\N=C\c2ccc(Cl)cc2)N(Cc2cccc3ccccc32)C1=O ZINC000002356534 569385463 /nfs/dbraw/zinc/38/54/63/569385463.db2.gz WFGKCOQIHVVGHA-LFUMJXIHSA-N 0 1 421.953 5.737 50 30 HKEAMN CCC1S/C(=N\N=C\c2ccc(C)cc2)N(Cc2cccc3ccccc32)C1=O ZINC000002357805 569385452 /nfs/dbraw/zinc/38/54/52/569385452.db2.gz LKQYULGPIDNFCE-JYAWBRCSSA-N 0 1 401.535 5.392 50 30 HKEAMN CCCCC1S/C(=N\N=C\c2cccs2)N(Cc2cccc3ccccc32)C1=O ZINC000002358228 569385570 /nfs/dbraw/zinc/38/55/70/569385570.db2.gz VKDQYIVUOGMKMT-LSIOVLHASA-N 0 1 421.591 5.926 50 30 HKEAMN CCOc1ccc(C=Nn2c(=S)[nH]nc2-c2ccc(C(C)(C)C)cc2)cc1OC ZINC000002359290 557340182 /nfs/dbraw/zinc/34/01/82/557340182.db2.gz NWPUZKMXQSJBOB-OEAKJJBVSA-N 0 1 410.543 5.195 50 30 HKEAMN CCC1S/C(=N\N=C\c2cccc3ccccc23)N(Cc2ccccc2C)C1=O ZINC000002360989 569386495 /nfs/dbraw/zinc/38/64/95/569386495.db2.gz WVKUJRXKEZACKK-JYAWBRCSSA-N 0 1 401.535 5.392 50 30 HKEAMN C=CCc1cc(OC)ccc1Oc1nc(-c2cccc(OC)c2O)nc2ccccc21 ZINC000002363390 569387276 /nfs/dbraw/zinc/38/72/76/569387276.db2.gz BCBQVAPMWSCCJP-UHFFFAOYSA-N 0 1 414.461 5.540 50 30 HKEAMN CC(C)Oc1cccc(-c2n[nH]c(=S)n2N=Cc2c(O)ccc3ccccc32)c1 ZINC000002373398 557341567 /nfs/dbraw/zinc/34/15/67/557341567.db2.gz LEEICKSVLVWBGD-YDZHTSKRSA-N 0 1 404.495 5.136 50 30 HKEAMN CCCCC1S/C(=N\N=C\c2ccc(OC)cc2)N(Cc2ccccc2C)C1=O ZINC000002406585 569396263 /nfs/dbraw/zinc/39/62/63/569396263.db2.gz YVUASLQDINPIKL-LSIOVLHASA-N 0 1 409.555 5.028 50 30 HKEAMN C=C(C)CN1CCN(c2cc(C(C)(C)C)nc3c(-c4ccc(Cl)cc4)cnn32)CC1 ZINC000002432782 569007520 /nfs/dbraw/zinc/00/75/20/569007520.db2.gz FUVKJDFAWKBQKT-UHFFFAOYSA-N 0 1 423.992 5.045 50 30 HKEAMN C=CCc1cc(Cl)ccc1Oc1nc(-c2cccc(OC)c2O)nc2ccccc21 ZINC000002439933 569400249 /nfs/dbraw/zinc/40/02/49/569400249.db2.gz JXXBJHZBECKUMT-UHFFFAOYSA-N 0 1 418.880 6.185 50 30 HKEAMN COc1cc([N+](=O)[O-])cc(/C=N/c2ccc(-c3nc4c(cccc4C)o3)cc2)c1O ZINC000002490167 568775491 /nfs/dbraw/zinc/77/54/91/568775491.db2.gz XTCAHYMSZFTNFY-FSJBWODESA-N 0 1 403.394 5.176 50 30 HKEAMN CC(=O)C(C=Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1ccccc1 ZINC000002513689 568779048 /nfs/dbraw/zinc/77/90/48/568779048.db2.gz JCYIJPAPNBJPKU-MHWRWJLKSA-N 0 1 416.321 5.248 50 30 HKEAMN COc1ccc(-c2n[nH]c(=S)n2N=Cc2cccc(OCc3ccccc3)c2)cc1 ZINC000002586906 557358489 /nfs/dbraw/zinc/35/84/89/557358489.db2.gz UEDPSYCTALSBAC-BUVRLJJBSA-N 0 1 416.506 5.077 50 30 HKEAMN Cc1ccc(-c2n[nH]c(=S)n2N=Cc2cccc(OCc3ccccc3)c2)cc1 ZINC000002592492 557358914 /nfs/dbraw/zinc/35/89/14/557358914.db2.gz OGFHJHKRGYHBLU-BUVRLJJBSA-N 0 1 400.507 5.377 50 30 HKEAMN C=CCn1c(C)cc(C(=O)CSc2nc(-c3cc(Cl)ccc3Cl)n[nH]2)c1C ZINC000002641357 568793899 /nfs/dbraw/zinc/79/38/99/568793899.db2.gz LAJPSHXTWDGUJQ-UHFFFAOYSA-N 0 1 421.353 5.358 50 30 HKEAMN CCCCOc1ccc(/C=N/N=C2\NC(=O)C(Cc3ccc(C(C)C)cc3)S2)cc1 ZINC000002670967 568800443 /nfs/dbraw/zinc/80/04/43/568800443.db2.gz JMRSDYUYGIXEEL-LWROZRRASA-N 0 1 423.582 5.153 50 30 HKEAMN CCCCCCCCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCN(C)CC1 ZINC000002684056 557367481 /nfs/dbraw/zinc/36/74/81/557367481.db2.gz MLIMOXXPULAJID-UHFFFAOYSA-N 0 1 417.601 5.322 50 30 HKEAMN COc1ccc(-c2n[nH]c(=S)n2N=Cc2ccc(-c3ccccc3)cc2)cc1OC ZINC000002700130 557368678 /nfs/dbraw/zinc/36/86/78/557368678.db2.gz ORMYSUGOEIYAKT-BUVRLJJBSA-N 0 1 416.506 5.174 50 30 HKEAMN CCOc1cc([N+](=O)[O-])cc(/C=N/c2cc(-c3nc4ccccc4o3)ccc2C)c1O ZINC000002756040 568806603 /nfs/dbraw/zinc/80/66/03/568806603.db2.gz QZKWWILTSGATFE-ZMOGYAJESA-N 0 1 417.421 5.566 50 30 HKEAMN Oc1c(Cl)cccc1/C=N/c1ccc2oc(-c3ccc(F)cc3Cl)nc2c1 ZINC000002756707 568806734 /nfs/dbraw/zinc/80/67/34/568806734.db2.gz DQDMIAZFNPHTNN-YSURURNPSA-N 0 1 401.224 6.397 50 30 HKEAMN Cc1ccc(C)c(-c2csc(NC(=O)c3c(F)c(F)c(F)c(F)c3F)c2C#N)c1 ZINC000002773248 568807727 /nfs/dbraw/zinc/80/77/27/568807727.db2.gz IMVDYDIIQNFNFH-UHFFFAOYSA-N 0 1 422.378 5.851 50 30 HKEAMN COc1ccc(C(=O)CC=Nc2nc(-c3ccc(OC(F)F)cc3)cs2)cc1 ZINC000002791260 568809830 /nfs/dbraw/zinc/80/98/30/568809830.db2.gz AUSTWWMYIIXFSD-ZHACJKMWSA-N 0 1 402.422 5.229 50 30 HKEAMN O=C(CC=Nc1nc(-c2ccc(OC(F)F)cc2)cs1)c1ccc(Cl)cc1 ZINC000002791618 568809947 /nfs/dbraw/zinc/80/99/47/568809947.db2.gz MDZJBFVDEJVTLM-MDZDMXLPSA-N 0 1 406.841 5.873 50 30 HKEAMN S=c1[nH]nc(-c2ccccc2Br)n1N=Cc1cccc2ccccc12 ZINC000002812899 557394468 /nfs/dbraw/zinc/39/44/68/557394468.db2.gz XUZGLKNRPOWXFP-CIAFOILYSA-N 0 1 409.312 5.406 50 30 HKEAMN Fc1cccc(Cl)c1C=Nn1c(=S)[nH]nc1-c1ccccc1Br ZINC000002815192 557394925 /nfs/dbraw/zinc/39/49/25/557394925.db2.gz VXROHBLAZYIYGE-UFWORHAWSA-N 0 1 411.687 5.045 50 30 HKEAMN CC(C)(C)c1cc(/C=N/CCCN2CCCc3ccccc32)cc(C(C)(C)C)c1O ZINC000002895962 557424309 /nfs/dbraw/zinc/42/43/09/557424309.db2.gz HMLIZHHYAXRSDC-TURZUDJPSA-N 0 1 406.614 6.249 50 30 HKEAMN CN(C)c1ccc(C=Nc2ccc3nc(-c4ccc(Cl)cc4Cl)[nH]c3c2)cc1 ZINC000002996118 557438585 /nfs/dbraw/zinc/43/85/85/557438585.db2.gz NVDGGZFWTSJRMC-DHRITJCHSA-N 0 1 409.320 6.353 50 30 HKEAMN Oc1c(Cl)cc(Cl)cc1/C=N/c1ccc(-c2nc3cc(Cl)ccc3o2)cc1 ZINC000003042658 569322884 /nfs/dbraw/zinc/32/28/84/569322884.db2.gz UOYITAULZNBXEB-YSURURNPSA-N 0 1 417.679 6.911 50 30 HKEAMN Oc1c(Cl)cc(Cl)cc1/C=N/c1cccc(-c2nc3cc(Cl)ccc3o2)c1 ZINC000003044564 557787009 /nfs/dbraw/zinc/78/70/09/557787009.db2.gz ZMCZPWGPJQTNER-YSURURNPSA-N 0 1 417.679 6.911 50 30 HKEAMN Cc1c(Cl)c(C)c(/C=N/c2ccc(N3CCOCC3)cc2)c(O)c1Br ZINC000003066601 557794517 /nfs/dbraw/zinc/79/45/17/557794517.db2.gz RNYPZBTULBTPJG-SSDVNMTOSA-N 0 1 423.738 5.012 50 30 HKEAMN O=C(Nc1ccccc1)c1cc2ccccc2c(/C=N/c2ccccc2Cl)c1O ZINC000003067690 557444608 /nfs/dbraw/zinc/44/46/08/557444608.db2.gz NILAUWJLHLQIJU-CVKSISIWSA-N 0 1 400.865 6.202 50 30 HKEAMN Cc1c(Cl)c(C)c(/C=N/c2cccc(Cl)c2Cl)c(O)c1Br ZINC000003079617 557445258 /nfs/dbraw/zinc/44/52/58/557445258.db2.gz WWNUSEZJDZZQAC-CGOBSMCZSA-N 0 1 407.522 6.482 50 30 HKEAMN COc1ccc(/N=C/c2c(C)c(Cl)c(C)c(Br)c2O)cc1Cl ZINC000003079619 557445229 /nfs/dbraw/zinc/44/52/29/557445229.db2.gz QDYXLXNZFRGOOB-IFRROFPPSA-N 0 1 403.103 5.838 50 30 HKEAMN Cc1cc(O)c(/C=N/c2ccc(O)c(-c3nc4ccccc4s3)c2)c(C)c1Cl ZINC000003082927 568854326 /nfs/dbraw/zinc/85/43/26/568854326.db2.gz BMMRAPXKCORNCU-BHGWPJFGSA-N 0 1 408.910 6.395 50 30 HKEAMN Oc1c(Br)cc(Br)cc1/C=N/c1cccc(Cl)c1Cl ZINC000003085110 557445306 /nfs/dbraw/zinc/44/53/06/557445306.db2.gz JYVUGPPEISCAKO-NGYBGAFCSA-N 0 1 423.919 5.975 50 30 HKEAMN COc1cc([N+](=O)[O-])cc(/C=N/c2ccc3oc(-c4cccc(F)c4)nc3c2)c1O ZINC000003085173 569322849 /nfs/dbraw/zinc/32/28/49/569322849.db2.gz FPGADSZAEDDUGD-FOKLQQMPSA-N 0 1 407.357 5.007 50 30 HKEAMN CCc1ccc2oc(-c3cc(/N=C\c4ccc(OC)c(Cl)c4)ccc3O)nc2c1 ZINC000003087098 569322907 /nfs/dbraw/zinc/32/29/07/569322907.db2.gz BBIGZZNKVGMWQB-MXAYSNPKSA-N 0 1 406.869 6.175 50 30 HKEAMN Cc1ccc2sc(-c3ccc(/N=C/c4cc(Cl)cc(Cl)c4O)cc3)nc2c1 ZINC000003087836 568854452 /nfs/dbraw/zinc/85/44/52/568854452.db2.gz DNUBQYSOMXWBMG-BHGWPJFGSA-N 0 1 413.329 7.035 50 30 HKEAMN Oc1c(Cl)cc(Cl)cc1/C=N/c1ccc2oc(-c3cccc(Cl)c3)nc2c1 ZINC000003090306 558748070 /nfs/dbraw/zinc/74/80/70/558748070.db2.gz MNDZGAVUDHWPCU-YSURURNPSA-N 0 1 417.679 6.911 50 30 HKEAMN Cc1cc2nc(-c3ccc(/N=C/c4cc(Cl)cc(Cl)c4O)cc3)oc2cc1C ZINC000003090308 571315841 /nfs/dbraw/zinc/31/58/41/571315841.db2.gz HIJYUHKSROYNDG-OPEKNORGSA-N 0 1 411.288 6.875 50 30 HKEAMN Cc1cc2nc(-c3cccc(/N=C/c4cc(Cl)cc(Cl)c4O)c3)oc2cc1C ZINC000003102986 558749829 /nfs/dbraw/zinc/74/98/29/558749829.db2.gz JQCPPGUQUZMUJD-OPEKNORGSA-N 0 1 411.288 6.875 50 30 HKEAMN Oc1c(Cl)cc(Cl)cc1/C=N/c1ccc2nc(-c3cccc(F)c3)oc2c1 ZINC000003113296 559188398 /nfs/dbraw/zinc/18/83/98/559188398.db2.gz YKLYBHRIPQWEBP-YSURURNPSA-N 0 1 401.224 6.397 50 30 HKEAMN Cc1c(Cl)c(C)c(/C=N/c2ccc(Cl)cc2Cl)c(O)c1Br ZINC000003114096 569323023 /nfs/dbraw/zinc/32/30/23/569323023.db2.gz QYMAMAIZXSAJGT-CGOBSMCZSA-N 0 1 407.522 6.482 50 30 HKEAMN Cc1c(Cl)c(C)c(/C=N/c2cc(Cl)ccc2Cl)c(O)c1Br ZINC000003114126 568856373 /nfs/dbraw/zinc/85/63/73/568856373.db2.gz GXDAOPYYAQNMHQ-CGOBSMCZSA-N 0 1 407.522 6.482 50 30 HKEAMN Cc1cccc2oc(-c3cc(/N=C/c4ccc(Br)cc4)ccc3O)nc21 ZINC000003114145 569322966 /nfs/dbraw/zinc/32/29/66/569322966.db2.gz GLXDSJCYHOAOSB-FSJBWODESA-N 0 1 407.267 6.022 50 30 HKEAMN Cc1cccc2oc(-c3cc(/N=C/c4ccc(Cl)c([N+](=O)[O-])c4)ccc3O)nc21 ZINC000003114150 569323021 /nfs/dbraw/zinc/32/30/21/569323021.db2.gz IVQDRGHPPXHTOG-FOKLQQMPSA-N 0 1 407.813 5.821 50 30 HKEAMN Cc1c(Cl)c(C)c(/C=N/c2ccc(Cl)c(Cl)c2)c(O)c1Br ZINC000003114153 559273060 /nfs/dbraw/zinc/27/30/60/559273060.db2.gz NYDNEAMQKSIRLV-CGOBSMCZSA-N 0 1 407.522 6.482 50 30 HKEAMN COc1cc([N+](=O)[O-])cc(/C=N/c2cccc(-c3nc4c(cccc4C)o3)c2)c1O ZINC000003114279 568856386 /nfs/dbraw/zinc/85/63/86/568856386.db2.gz WSTXCVJKSMHPCQ-FSJBWODESA-N 0 1 403.394 5.176 50 30 HKEAMN Cc1c(Cl)c(C)c(/C=N/c2ccc3c4c(cccc42)CC3)c(O)c1Br ZINC000003114311 559274634 /nfs/dbraw/zinc/27/46/34/559274634.db2.gz QYOBNKKOIUCQGD-YSURURNPSA-N 0 1 414.730 6.427 50 30 HKEAMN Cc1c(Cl)c(C)c(/C=N/c2ccc(Br)cc2)c(O)c1Br ZINC000003114319 559274641 /nfs/dbraw/zinc/27/46/41/559274641.db2.gz DGBUEJFQRLUONC-FBCYGCLPSA-N 0 1 417.528 5.938 50 30 HKEAMN Cc1ccc2cc(/N=C/c3c(C)c(Cl)c(C)c(Br)c3O)ccc2n1 ZINC000003114327 568856304 /nfs/dbraw/zinc/85/63/04/568856304.db2.gz MGJIBHSCQFPGQV-LSFURLLWSA-N 0 1 403.707 6.032 50 30 HKEAMN COc1cc(C=Nc2ccc3nc(-c4ccc(Cl)cc4Cl)[nH]c3c2)ccc1O ZINC000003202662 568846173 /nfs/dbraw/zinc/84/61/73/568846173.db2.gz QVTTWOVTEGDRLI-BHGWPJFGSA-N 0 1 412.276 6.002 50 30 HKEAMN CC1=C(C(=O)c2ccccc2)[C@@H](c2ccc(Cl)cc2)NC(=S)N1c1ccccc1 ZINC000003263802 560590932 /nfs/dbraw/zinc/59/09/32/560590932.db2.gz NBDZBUIBAPGHGR-JOCHJYFZSA-N 0 1 418.949 5.933 50 30 HKEAMN CC1=C(C(=O)c2ccccc2)[C@H](c2ccc(Cl)cc2)NC(=S)N1c1ccccc1 ZINC000003263805 568869651 /nfs/dbraw/zinc/86/96/51/568869651.db2.gz NBDZBUIBAPGHGR-QFIPXVFZSA-N 0 1 418.949 5.933 50 30 HKEAMN Oc1cc(/N=C/c2ccc(-c3ccc(Cl)cc3)o2)ccc1-c1nc2ccccc2o1 ZINC000003470478 568860366 /nfs/dbraw/zinc/86/03/66/568860366.db2.gz IMNHIYAKLYSPNS-VULFUBBASA-N 0 1 414.848 6.864 50 30 HKEAMN CSc1ccccc1NC(=S)NN=Cc1cccn1Cc1ccccc1Cl ZINC000003587224 568917795 /nfs/dbraw/zinc/91/77/95/568917795.db2.gz SCQLVFWNZJAFBZ-LPYMAVHISA-N 0 1 414.987 5.232 50 30 HKEAMN CSc1ccccc1NC(=S)NN=Cc1cccn1Cc1cccc(Cl)c1 ZINC000003587336 568917839 /nfs/dbraw/zinc/91/78/39/568917839.db2.gz FINLMCZQOSLJPN-LPYMAVHISA-N 0 1 414.987 5.232 50 30 HKEAMN C=CCc1cc(/C=N/Cc2ccccc2)ccc1OCc1ccc(Br)cc1 ZINC000003660977 568867166 /nfs/dbraw/zinc/86/71/66/568867166.db2.gz GGWWMQLLSXDMPJ-YZSQISJMSA-N 0 1 420.350 6.376 50 30 HKEAMN Oc1c(Cl)cccc1/C=N/c1cc(C(F)(F)F)ccc1Oc1cccc(F)c1 ZINC000003663611 568866976 /nfs/dbraw/zinc/86/69/76/568866976.db2.gz OTSBDJYOEVNVDU-KBKYJPHKSA-N 0 1 409.766 6.746 50 30 HKEAMN O=C1C[C@H](c2ccccc2)CC2=Nc3ccccc3N[C@@H](c3cccc4ccccc43)C12 ZINC000004082601 557511001 /nfs/dbraw/zinc/51/10/01/557511001.db2.gz ZXWCIBNYFFQUJF-PBBNMVCDSA-N 0 1 416.524 6.819 50 30 HKEAMN O=C1C[C@@H](c2ccccc2)CC2=Nc3ccccc3N[C@@H](c3cccc4ccccc43)C12 ZINC000004082603 557511052 /nfs/dbraw/zinc/51/10/52/557511052.db2.gz ZXWCIBNYFFQUJF-LGGPFLRQSA-N 0 1 416.524 6.819 50 30 HKEAMN O=C1C[C@H](c2ccccc2)CC2=Nc3ccccc3N[C@H](c3cccc4ccccc43)C12 ZINC000004082605 557510971 /nfs/dbraw/zinc/51/09/71/557510971.db2.gz ZXWCIBNYFFQUJF-ONOMSOESSA-N 0 1 416.524 6.819 50 30 HKEAMN O=C1C[C@@H](c2ccccc2)CC2=Nc3ccccc3N[C@H](c3cccc4ccccc43)C12 ZINC000004082608 557511047 /nfs/dbraw/zinc/51/10/47/557511047.db2.gz ZXWCIBNYFFQUJF-KCWXNJEJSA-N 0 1 416.524 6.819 50 30 HKEAMN O=[N+]([O-])c1ccc(N=NCc2cn(Cc3ccccc3Cl)c3ccccc23)cc1 ZINC000004083365 568939319 /nfs/dbraw/zinc/93/93/19/568939319.db2.gz PYMLYFWENVBIBZ-ZMOGYAJESA-N 0 1 404.857 5.697 50 30 HKEAMN C(=Nc1nnc[nH]1)c1cn(CCOc2ccc(C3CCCCC3)cc2)c2ccccc12 ZINC000004083381 568939378 /nfs/dbraw/zinc/93/93/78/568939378.db2.gz VBOCQUYFERLATK-WGOQTCKBSA-N 0 1 413.525 5.637 50 30 HKEAMN Cc1ccccc1OCCn1cc(CN=Nc2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000004083382 568939325 /nfs/dbraw/zinc/93/93/25/568939325.db2.gz LIXFOCSNQOXZHF-PCLIKHOPSA-N 0 1 414.465 5.383 50 30 HKEAMN Cc1ccc(CSC2=NC(c3ccccc3F)C3=C(N2)c2ccccc2C3=O)cc1 ZINC000004085566 568940342 /nfs/dbraw/zinc/94/03/42/568940342.db2.gz YBQSAQGKZWNXJH-HSZRJFAPSA-N 0 1 414.505 5.675 50 30 HKEAMN Cc1ccc(CSC2=NC(c3ccccc3F)C3=C(N2)c2ccccc2C3=O)cc1 ZINC000004085568 568940334 /nfs/dbraw/zinc/94/03/34/568940334.db2.gz YBQSAQGKZWNXJH-QHCPKHFHSA-N 0 1 414.505 5.675 50 30 HKEAMN Brc1ccc(N=NC(N=Nc2nc3ccccc3o2)c2ccccc2)cc1 ZINC000004099426 568942587 /nfs/dbraw/zinc/94/25/87/568942587.db2.gz RXBRWOUFDPQNEN-RCDUIJEOSA-N 0 1 420.270 6.148 50 30 HKEAMN N#Cc1ccccc1Cn1cc(C=NNc2nc3ccccc3s2)c2ccccc21 ZINC000004107666 568909700 /nfs/dbraw/zinc/90/97/00/568909700.db2.gz OHOMASPZDOHKRM-VULFUBBASA-N 0 1 407.502 5.617 50 30 HKEAMN COc1cc([N+](=O)[O-])cc(/C=N/c2cccc(-c3nc4ccccc4o3)c2C)c1O ZINC000004150560 568946938 /nfs/dbraw/zinc/94/69/38/568946938.db2.gz DJOIOWLAIZGMNM-FSJBWODESA-N 0 1 403.394 5.176 50 30 HKEAMN CCOc1cc([N+](=O)[O-])cc(/C=N/c2cccc(-c3nc4ccccc4o3)c2C)c1O ZINC000004150561 568946984 /nfs/dbraw/zinc/94/69/84/568946984.db2.gz AQLPXEMLQFERCT-ZMOGYAJESA-N 0 1 417.421 5.566 50 30 HKEAMN CCOc1cc(C=NN=c2[nH]c3ccccc3s2)ccc1OCc1ccccc1F ZINC000004180196 557525634 /nfs/dbraw/zinc/52/56/34/557525634.db2.gz GCAABXMCDLGKSX-AFUMVMLFSA-N 0 1 421.497 5.859 50 30 HKEAMN CCOc1cc(C=[NH+][N-]c2nc3ccccc3s2)ccc1OCc1ccccc1F ZINC000004180196 557525638 /nfs/dbraw/zinc/52/56/38/557525638.db2.gz GCAABXMCDLGKSX-AFUMVMLFSA-N 0 1 421.497 5.859 50 30 HKEAMN O=C(Nc1ccc(/N=C/c2cc(Cl)cc(Cl)c2O)cc1)c1cccc(Cl)c1 ZINC000004181475 568949359 /nfs/dbraw/zinc/94/93/59/568949359.db2.gz YTFAINGKNSZQCP-BHGWPJFGSA-N 0 1 419.695 6.355 50 30 HKEAMN CC(=NN1CCN(C2c3ccccc3-c3ccccc32)CC1)c1ccc2ccccc2c1 ZINC000004183698 568949746 /nfs/dbraw/zinc/94/97/46/568949746.db2.gz NAHGGULQIGPSGW-UHFFFAOYSA-N 0 1 417.556 5.951 50 30 HKEAMN Cc1c(Cc2ccccc2)sc(/N=C/c2cc(Cl)cc(Cl)c2O)c1C(N)=O ZINC000004195938 557527646 /nfs/dbraw/zinc/52/76/46/557527646.db2.gz XSNRQYRDYCVQEW-YSURURNPSA-N 0 1 419.333 5.509 50 30 HKEAMN CC(N=Nc1c(Cl)cc(Cl)cc1Cl)c1cc(Br)ccc1O ZINC000004300165 557537362 /nfs/dbraw/zinc/53/73/62/557537362.db2.gz CFKLMPBXVWYIFK-FBCYGCLPSA-N 0 1 408.510 5.951 50 30 HKEAMN N#C[C@H](C(=Nc1ccccc1)SCc1ccc(Cl)cc1)c1nc2ccccc2[nH]1 ZINC000004333624 557543106 /nfs/dbraw/zinc/54/31/06/557543106.db2.gz KSPWVOINODDDOG-HGFVNXKRSA-N 0 1 416.937 6.487 50 30 HKEAMN N#C[C@@H](C(=Nc1ccccc1)SCc1ccc(Cl)cc1)c1nc2ccccc2[nH]1 ZINC000004333626 557543088 /nfs/dbraw/zinc/54/30/88/557543088.db2.gz KSPWVOINODDDOG-YXKKDJNZSA-N 0 1 416.937 6.487 50 30 HKEAMN CC(=NNc1c(Cl)cc(Cl)cc1Cl)c1ccc(C#CC(C)(C)O)s1 ZINC000004362613 557546762 /nfs/dbraw/zinc/54/67/62/557546762.db2.gz XJITXQYDTJEVDW-UFFVCSGVSA-N 0 1 401.746 5.667 50 30 HKEAMN Cc1c2cc(Cl)ccc2sc1CN=Nc1c(Cl)cc(Cl)cc1Cl ZINC000004365933 557547312 /nfs/dbraw/zinc/54/73/12/557547312.db2.gz OBXGJXRZRPFEFN-QPSGOUHRSA-N 0 1 404.149 7.269 50 30 HKEAMN FC(F)(F)c1ccc(C=NNc2c(Cl)cc(C(F)(F)F)cc2Cl)cc1 ZINC000004390169 557550594 /nfs/dbraw/zinc/55/05/94/557550594.db2.gz BRQJLDBHQBWVPD-HCBMXOAHSA-N 0 1 401.137 6.477 50 30 HKEAMN CCCCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@@H]1c1ccc(F)cc1 ZINC000004414714 557553348 /nfs/dbraw/zinc/55/33/48/557553348.db2.gz WQICXLMOUGTTEG-VWLOTQADSA-N 0 1 420.528 6.159 50 30 HKEAMN CCCCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@H]1c1ccc(F)cc1 ZINC000004414716 557553297 /nfs/dbraw/zinc/55/32/97/557553297.db2.gz WQICXLMOUGTTEG-RUZDIDTESA-N 0 1 420.528 6.159 50 30 HKEAMN Cc1c(Cl)c(C)c(/C=N/c2cccc(C(F)(F)F)c2)c(O)c1Br ZINC000004417396 558525646 /nfs/dbraw/zinc/52/56/46/558525646.db2.gz KLVDPGLMCSTTKL-QPJQQBGISA-N 0 1 406.629 6.194 50 30 HKEAMN CC(=O)C(=NNc1ccccc1)Sc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 ZINC000004472538 557556749 /nfs/dbraw/zinc/55/67/49/557556749.db2.gz AJRWTSZIMXOXNP-WEMUOSSPSA-N 0 1 412.518 5.850 50 30 HKEAMN CC(C)OC(=O)C=C(NN=c1[nH]c(-c2ccc(Cl)cc2)cs1)C(F)(F)F ZINC000004476485 558597890 /nfs/dbraw/zinc/59/78/90/558597890.db2.gz JCTZFRASAADTQY-XKZIYDEJSA-N 0 1 405.829 5.135 50 30 HKEAMN CCCc1ccc(O)c(/N=C/c2cc(Br)cc(Br)c2O)c1 ZINC000004499448 558612378 /nfs/dbraw/zinc/61/23/78/558612378.db2.gz RUQCKICAKDDHMB-DJKKODMXSA-N 0 1 413.109 5.326 50 30 HKEAMN Brc1ccc(OCc2cccc3ccccc32)c(C=Nc2nnc[nH]2)c1 ZINC000004512337 558625748 /nfs/dbraw/zinc/62/57/48/558625748.db2.gz HYIFBPAJEVUBGP-SSDVNMTOSA-N 0 1 407.271 5.050 50 30 HKEAMN COc1cc(C=NN=c2[nH]c3ccccc3s2)ccc1OC(=O)c1cccs1 ZINC000004524107 558652506 /nfs/dbraw/zinc/65/25/06/558652506.db2.gz DZYYUORLYUZHJP-CIAFOILYSA-N 0 1 409.492 5.032 50 30 HKEAMN C(=NNc1nc2ccccc2s1)c1c(OCc2ccccc2)ccc2ccccc21 ZINC000004550931 558683131 /nfs/dbraw/zinc/68/31/31/558683131.db2.gz WEHAEYQGJLSVRU-WGOQTCKBSA-N 0 1 409.514 6.475 50 30 HKEAMN Cc1cccc(OCCn2cc(CN=Nc3ccc([N+](=O)[O-])cc3)c3ccccc32)c1 ZINC000004561354 557568056 /nfs/dbraw/zinc/56/80/56/557568056.db2.gz YVFHZKCYVUXCGW-PCLIKHOPSA-N 0 1 414.465 5.383 50 30 HKEAMN Cc1ccc(-c2csc([N-][NH+]=Cc3ccc(N(C)C)c(Br)c3)n2)cc1 ZINC000004561901 558732119 /nfs/dbraw/zinc/73/21/19/558732119.db2.gz SERYKCLHWDWLJZ-SRZZPIQSSA-N 0 1 415.360 5.393 50 30 HKEAMN O=[N+]([O-])c1ccc(N=NC(=NNc2ccc(Cl)cc2)c2cccc([N+](=O)[O-])c2)cc1 ZINC000004577765 557569649 /nfs/dbraw/zinc/56/96/49/557569649.db2.gz CONJKDXRSZVLRB-ODHVPASWSA-N 0 1 424.804 5.714 50 30 HKEAMN Oc1c(Br)cc(Br)cc1C=NNc1cccc(Cl)c1 ZINC000004587429 558786025 /nfs/dbraw/zinc/78/60/25/558786025.db2.gz YTADXFVTGZALAD-REZTVBANSA-N 0 1 404.489 5.017 50 30 HKEAMN CC1(C)CC(=O)C2C(=Nc3ccccc3N(C(=O)C3CC3)[C@H]2c2ccc(Cl)cc2)C1 ZINC000004597888 558833827 /nfs/dbraw/zinc/83/38/27/558833827.db2.gz GMGKOTSVYHTXKL-QHCPKHFHSA-N 0 1 420.940 5.893 50 30 HKEAMN CC1(C)CC(=O)C2C(=Nc3ccccc3N(C(=O)C3CC3)[C@@H]2c2ccc(Cl)cc2)C1 ZINC000004597889 558833810 /nfs/dbraw/zinc/83/38/10/558833810.db2.gz GMGKOTSVYHTXKL-HSZRJFAPSA-N 0 1 420.940 5.893 50 30 HKEAMN CC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(C)cc3)CC(=O)C2[C@@H]1c1ccco1 ZINC000004597897 558833805 /nfs/dbraw/zinc/83/38/05/558833805.db2.gz AMXBMXIIGBFYPU-SIBVEZHUSA-N 0 1 412.489 5.509 50 30 HKEAMN CC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(C)cc3)CC(=O)C2[C@@H]1c1ccco1 ZINC000004597898 558833845 /nfs/dbraw/zinc/83/38/45/558833845.db2.gz AMXBMXIIGBFYPU-BCHFMIIMSA-N 0 1 412.489 5.509 50 30 HKEAMN CC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(C)cc3)CC(=O)C2[C@H]1c1ccco1 ZINC000004597899 558833914 /nfs/dbraw/zinc/83/39/14/558833914.db2.gz AMXBMXIIGBFYPU-AFMDSPMNSA-N 0 1 412.489 5.509 50 30 HKEAMN CC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(C)cc3)CC(=O)C2[C@H]1c1ccco1 ZINC000004597900 558833910 /nfs/dbraw/zinc/83/39/10/558833910.db2.gz AMXBMXIIGBFYPU-NIYFSFCBSA-N 0 1 412.489 5.509 50 30 HKEAMN CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@@H]1c1cccs1 ZINC000004597906 558833799 /nfs/dbraw/zinc/83/37/99/558833799.db2.gz KWTSUSZCPWXHCR-WNSKOXEYSA-N 0 1 404.491 5.262 50 30 HKEAMN CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@@H]1c1cccs1 ZINC000004597907 558833897 /nfs/dbraw/zinc/83/38/97/558833897.db2.gz KWTSUSZCPWXHCR-CMJOXMDJSA-N 0 1 404.491 5.262 50 30 HKEAMN CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@H]1c1cccs1 ZINC000004597908 558833883 /nfs/dbraw/zinc/83/38/83/558833883.db2.gz KWTSUSZCPWXHCR-NPMXOYFQSA-N 0 1 404.491 5.262 50 30 HKEAMN CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@H]1c1cccs1 ZINC000004597909 558833793 /nfs/dbraw/zinc/83/37/93/558833793.db2.gz KWTSUSZCPWXHCR-IQMFZBJNSA-N 0 1 404.491 5.262 50 30 HKEAMN CCc1ccc2oc(-c3cccc(/N=C/c4cc(Cl)cc(Cl)c4O)c3)nc2c1 ZINC000004601958 558843059 /nfs/dbraw/zinc/84/30/59/558843059.db2.gz LLMFOKOYTRKZSU-BRJLIKDPSA-N 0 1 411.288 6.820 50 30 HKEAMN CCCOc1cccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(C)=O)c1 ZINC000004614109 560555645 /nfs/dbraw/zinc/55/56/45/560555645.db2.gz AECKHVBXVWKZPA-RUZDIDTESA-N 0 1 418.537 5.638 50 30 biogenic,in-vitro HKEAMN CCCOc1cccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(C)=O)c1 ZINC000004614110 560555649 /nfs/dbraw/zinc/55/56/49/560555649.db2.gz AECKHVBXVWKZPA-VWLOTQADSA-N 0 1 418.537 5.638 50 30 biogenic,in-vitro HKEAMN Cc1ccc(CN2C(=O)C(=O)C(C(=O)c3cccs3)[C@H]2c2ccc(C)cc2)cc1 ZINC000004650577 569071401 /nfs/dbraw/zinc/07/14/01/569071401.db2.gz XGDBPXKTOBGUCP-OAQYLSRUSA-N 0 1 403.503 5.143 50 30 HKEAMN COc1cccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)C2CC2)c1 ZINC000004670327 557579063 /nfs/dbraw/zinc/57/90/63/557579063.db2.gz HRMZYISBYZQWPZ-DEOSSOPVSA-N 0 1 416.521 5.248 50 30 HKEAMN COc1cccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)C2CC2)c1 ZINC000004670328 557579364 /nfs/dbraw/zinc/57/93/64/557579364.db2.gz HRMZYISBYZQWPZ-XMMPIXPASA-N 0 1 416.521 5.248 50 30 HKEAMN O=C(Oc1ccc(C=NN=c2[nH]c3ccccc3s2)cc1)c1ccc(Cl)cc1 ZINC000004682570 558894508 /nfs/dbraw/zinc/89/45/08/558894508.db2.gz FEIBIQBOSUZGFB-YDZHTSKRSA-N 0 1 407.882 5.615 50 30 HKEAMN O=C(Oc1ccc(C=[NH+][N-]c2nc3ccccc3s2)cc1)c1ccc(Cl)cc1 ZINC000004682570 558894509 /nfs/dbraw/zinc/89/45/09/558894509.db2.gz FEIBIQBOSUZGFB-YDZHTSKRSA-N 0 1 407.882 5.615 50 30 HKEAMN Fc1cccc(COc2ccc(C=Nn3c(=S)[nH]nc3-c3ccccc3)cc2)c1 ZINC000004690380 558899691 /nfs/dbraw/zinc/89/96/91/558899691.db2.gz XNFRLFDRZVVWAF-ZVHZXABRSA-N 0 1 404.470 5.208 50 30 HKEAMN CN(C)c1ccc(C=[NH+][N-]c2nc(-c3ccc(Br)cc3)cs2)cc1 ZINC000004714552 557586077 /nfs/dbraw/zinc/58/60/77/557586077.db2.gz UPTJJXBKFWPKBT-RGVLZGJSSA-N 0 1 401.333 5.085 50 30 HKEAMN CCOc1cc([N+](=O)[O-])cc(/C=N/c2cccc(-c3nc4cc(C)ccc4o3)c2)c1O ZINC000004737545 559041245 /nfs/dbraw/zinc/04/12/45/559041245.db2.gz AHZIIDORJVEWOF-ZMOGYAJESA-N 0 1 417.421 5.566 50 30 HKEAMN CCOc1cc([N+](=O)[O-])cc(/C=N/c2ccc(-c3nc4cc(C)ccc4o3)cc2)c1O ZINC000004737632 559041287 /nfs/dbraw/zinc/04/12/87/559041287.db2.gz XKZBOZVOIORVRD-ZMOGYAJESA-N 0 1 417.421 5.566 50 30 HKEAMN CCOc1cc([N+](=O)[O-])cc(/C=N/c2cccc(NC(=O)c3ccccc3C)c2)c1O ZINC000004737634 559041292 /nfs/dbraw/zinc/04/12/92/559041292.db2.gz CIHPAPWLJZPTQV-ZVHZXABRSA-N 0 1 419.437 5.010 50 30 HKEAMN CCOC(=O)c1c(C)c(C(C)=O)sc1N=Cc1cc(Cl)cc(Cl)c1O ZINC000004739503 559043250 /nfs/dbraw/zinc/04/32/50/559043250.db2.gz FOZFPPQZWFKVLY-IFRROFPPSA-N 0 1 400.283 5.199 50 30 HKEAMN Cc1n[nH]c(NC=C2C(=O)CC(c3ccc(C)cc3)CC2=O)c1-c1ccc(Cl)cc1 ZINC000004741618 559044534 /nfs/dbraw/zinc/04/45/34/559044534.db2.gz HESOMWFCDLVTBB-UHFFFAOYSA-N 0 1 419.912 5.359 50 30 HKEAMN Cc1ccccc1[C@H]1Sc2ccccc2N=C2C[C@H](c3ccc(F)cc3)CC(=O)C21 ZINC000004747091 557592127 /nfs/dbraw/zinc/59/21/27/557592127.db2.gz ORNKJDXOZSVFIL-HFJWLAOPSA-N 0 1 415.533 6.794 50 30 HKEAMN Cc1ccccc1[C@@H]1Sc2ccccc2N=C2C[C@H](c3ccc(F)cc3)CC(=O)C21 ZINC000004747093 557592098 /nfs/dbraw/zinc/59/20/98/557592098.db2.gz ORNKJDXOZSVFIL-QYBDOPJKSA-N 0 1 415.533 6.794 50 30 HKEAMN Cc1ccccc1[C@H]1Sc2ccccc2N=C2C[C@@H](c3ccc(F)cc3)CC(=O)C21 ZINC000004747096 557592105 /nfs/dbraw/zinc/59/21/05/557592105.db2.gz ORNKJDXOZSVFIL-WXTAPIANSA-N 0 1 415.533 6.794 50 30 HKEAMN Cc1ccccc1[C@@H]1Sc2ccccc2N=C2C[C@@H](c3ccc(F)cc3)CC(=O)C21 ZINC000004747097 557592144 /nfs/dbraw/zinc/59/21/44/557592144.db2.gz ORNKJDXOZSVFIL-DWXRJYCRSA-N 0 1 415.533 6.794 50 30 HKEAMN Cc1ccc([C@H]2Sc3ccccc3N=C3C[C@H](c4ccc(F)cc4)CC(=O)C32)cc1 ZINC000004747107 557592075 /nfs/dbraw/zinc/59/20/75/557592075.db2.gz ZMLXIXDRYDDRAR-AFMDSPMNSA-N 0 1 415.533 6.794 50 30 HKEAMN Cc1ccc([C@@H]2Sc3ccccc3N=C3C[C@H](c4ccc(F)cc4)CC(=O)C32)cc1 ZINC000004747110 557592087 /nfs/dbraw/zinc/59/20/87/557592087.db2.gz ZMLXIXDRYDDRAR-SIBVEZHUSA-N 0 1 415.533 6.794 50 30 HKEAMN Cc1ccc([C@H]2Sc3ccccc3N=C3C[C@@H](c4ccc(F)cc4)CC(=O)C32)cc1 ZINC000004747112 557592135 /nfs/dbraw/zinc/59/21/35/557592135.db2.gz ZMLXIXDRYDDRAR-NIYFSFCBSA-N 0 1 415.533 6.794 50 30 HKEAMN Cc1ccc([C@@H]2Sc3ccccc3N=C3C[C@@H](c4ccc(F)cc4)CC(=O)C32)cc1 ZINC000004747114 557592053 /nfs/dbraw/zinc/59/20/53/557592053.db2.gz ZMLXIXDRYDDRAR-BCHFMIIMSA-N 0 1 415.533 6.794 50 30 HKEAMN Clc1ccc2nc(NN=Cc3ccc4c(c3)OCO4)cc(-c3ccccc3)c2c1 ZINC000004750787 559048934 /nfs/dbraw/zinc/04/89/34/559048934.db2.gz IOEQZTBSFHQGLI-DHRITJCHSA-N 0 1 401.853 5.730 50 30 HKEAMN CCCCCCc1cc2cc(/C(C)=N\Nc3ccc([N+](=O)[O-])cc3)c(=[NH2+])oc2cc1[O-] ZINC000004755468 559051244 /nfs/dbraw/zinc/05/12/44/559051244.db2.gz UHCMUDCEYVOSKV-YGYVJPDWSA-N 0 1 422.485 5.485 50 30 HKEAMN CCCCCCc1cc(/C(Cc2ccc(Br)cc2)=N/O)c(O)cc1O ZINC000004756380 557594177 /nfs/dbraw/zinc/59/41/77/557594177.db2.gz XBXSTIUUDQZCGH-RELWKKBWSA-N 0 1 406.320 5.404 50 30 HKEAMN CCOc1cc([N+](=O)[O-])cc(/C=N/c2cccc(-c3nc4ccccc4o3)c2)c1O ZINC000004756490 559051476 /nfs/dbraw/zinc/05/14/76/559051476.db2.gz JAWIFCQKZPUAIJ-YDZHTSKRSA-N 0 1 403.394 5.258 50 30 HKEAMN COc1cc([N+](=O)[O-])cc(/C=N/c2ccc(-c3nc4cc(C)cc(C)c4o3)cc2)c1O ZINC000004756491 559051445 /nfs/dbraw/zinc/05/14/45/559051445.db2.gz KDBIRKBCKLRBQQ-WYMPLXKRSA-N 0 1 417.421 5.485 50 30 HKEAMN O=[N+]([O-])c1cccc(CN=Nc2nc(-c3ccccc3Cl)nc3ccccc32)c1 ZINC000004803533 559067870 /nfs/dbraw/zinc/06/78/70/559067870.db2.gz KFWROBGRIGXXBK-YDZHTSKRSA-N 0 1 403.829 5.304 50 30 HKEAMN C=CCN1C(=O)c2n[nH]c(-c3cc(C)c(C)cc3O)c2[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000004809760 568964224 /nfs/dbraw/zinc/96/42/24/568964224.db2.gz KICOZARSHIVTLV-XMMPIXPASA-N 0 1 415.537 5.428 50 30 HKEAMN C=CCN1C(=O)c2n[nH]c(-c3cc(C)c(C)cc3O)c2[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000004809762 568964234 /nfs/dbraw/zinc/96/42/34/568964234.db2.gz KICOZARSHIVTLV-DEOSSOPVSA-N 0 1 415.537 5.428 50 30 HKEAMN Cc1cc(N=NC(C)c2ccc(Cl)c(Cl)c2)nc(NCc2ccccc2)n1 ZINC000004811416 559069197 /nfs/dbraw/zinc/06/91/97/559069197.db2.gz LSMMGDQYSFBURI-VULFUBBASA-N 0 1 400.313 5.540 50 30 HKEAMN CCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@@H]1c1ccc(N(C)C)cc1 ZINC000004812184 557600795 /nfs/dbraw/zinc/60/07/95/557600795.db2.gz XPMXIDBUOPTCLQ-VWLOTQADSA-N 0 1 417.553 5.306 50 30 HKEAMN CCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@H]1c1ccc(N(C)C)cc1 ZINC000004812185 557600814 /nfs/dbraw/zinc/60/08/14/557600814.db2.gz XPMXIDBUOPTCLQ-RUZDIDTESA-N 0 1 417.553 5.306 50 30 HKEAMN CCCCCCNC(=O)C(C#N)c1nc2ccccc2nc1N(CC(C)C)CC(C)C ZINC000004812802 559069528 /nfs/dbraw/zinc/06/95/28/559069528.db2.gz BKHMBQISFIFGCR-FQEVSTJZSA-N 0 1 423.605 5.052 50 30 HKEAMN CCCCCCNC(=O)C(C#N)c1nc2ccccc2nc1N(CC(C)C)CC(C)C ZINC000004812803 559069558 /nfs/dbraw/zinc/06/95/58/559069558.db2.gz BKHMBQISFIFGCR-HXUWFJFHSA-N 0 1 423.605 5.052 50 30 HKEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000004817825 557601530 /nfs/dbraw/zinc/60/15/30/557601530.db2.gz RYSWMVHRWVFVHI-QHCPKHFHSA-N 0 1 415.489 5.490 50 30 HKEAMN Cc1cc(C)c(/N=C/c2c3c(cc(Br)c2O)oc2c3CCCC2)c(C)c1 ZINC000004825707 559154371 /nfs/dbraw/zinc/15/43/71/559154371.db2.gz OVHURVOUHBTXSP-BHGWPJFGSA-N 0 1 412.327 6.456 50 30 HKEAMN COc1cccc(C=NNc2nc(-c3ccc(Cl)cc3)nc3ccccc32)c1O ZINC000004827750 559155425 /nfs/dbraw/zinc/15/54/25/559155425.db2.gz CMDIFHILGNCBOO-ZMOGYAJESA-N 0 1 404.857 5.110 50 30 HKEAMN Fc1ccccc1C=NNc1nc(-c2ccc(Cl)cc2Cl)nc2ccccc21 ZINC000004828559 559155788 /nfs/dbraw/zinc/15/57/88/559155788.db2.gz OQBRRVNFEJBFMH-BRJLIKDPSA-N 0 1 411.267 6.189 50 30 HKEAMN O=[N+]([O-])c1ccccc1CN=Nc1nc(-c2ccccc2Cl)nc2ccccc21 ZINC000004828613 559155817 /nfs/dbraw/zinc/15/58/17/559155817.db2.gz BISYORYDYANBMY-YDZHTSKRSA-N 0 1 403.829 5.304 50 30 HKEAMN Fc1ccccc1C=NNc1nc(-c2ccc(Cl)c(Cl)c2)nc2ccccc21 ZINC000004828939 559155933 /nfs/dbraw/zinc/15/59/33/559155933.db2.gz JJAKOFKAQIYHIL-BRJLIKDPSA-N 0 1 411.267 6.189 50 30 HKEAMN CCCCCCNC(=O)C(C#N)c1nc2ccccc2nc1N(CCCC)CCCC ZINC000004836783 559166201 /nfs/dbraw/zinc/16/62/01/559166201.db2.gz ZYYZCERPMVJWKX-FQEVSTJZSA-N 0 1 423.605 5.340 50 30 HKEAMN CCCCCCNC(=O)C(C#N)c1nc2ccccc2nc1N(CCCC)CCCC ZINC000004836784 559166146 /nfs/dbraw/zinc/16/61/46/559166146.db2.gz ZYYZCERPMVJWKX-HXUWFJFHSA-N 0 1 423.605 5.340 50 30 HKEAMN CCCCN(CCCC)c1nc2ccccc2nc1C(C#N)C(=O)NC1CCCCC1 ZINC000004836837 559166185 /nfs/dbraw/zinc/16/61/85/559166185.db2.gz NWCVUKWTUDWXIN-HXUWFJFHSA-N 0 1 421.589 5.092 50 30 HKEAMN CCCCN(CCCC)c1nc2ccccc2nc1C(C#N)C(=O)NC1CCCCC1 ZINC000004836840 559166155 /nfs/dbraw/zinc/16/61/55/559166155.db2.gz NWCVUKWTUDWXIN-FQEVSTJZSA-N 0 1 421.589 5.092 50 30 HKEAMN CCCCC1S/C(=N/N=C/c2ccc(N(C)C)cc2)N(Cc2ccccc2C)C1=O ZINC000004869639 559193962 /nfs/dbraw/zinc/19/39/62/559193962.db2.gz YQUPKFFMVYWKGH-XHSKXDHISA-N 0 1 422.598 5.085 50 30 HKEAMN CCCCC1S/C(=N/N=C/c2ccc(N(C)C)cc2)N(Cc2ccccc2C)C1=O ZINC000004869640 559193964 /nfs/dbraw/zinc/19/39/64/559193964.db2.gz YQUPKFFMVYWKGH-AKFYTOGBSA-N 0 1 422.598 5.085 50 30 HKEAMN CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(C)cc3)C2)[C@@H]1c1cccnc1 ZINC000004869672 559193967 /nfs/dbraw/zinc/19/39/67/559193967.db2.gz ONYKRRVUHYDZCK-ZBLYBZFDSA-N 0 1 423.516 5.311 50 30 HKEAMN CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(C)cc3)C2)[C@@H]1c1cccnc1 ZINC000004869673 559193975 /nfs/dbraw/zinc/19/39/75/559193975.db2.gz ONYKRRVUHYDZCK-IDISGSTGSA-N 0 1 423.516 5.311 50 30 HKEAMN CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(C)cc3)C2)[C@H]1c1cccnc1 ZINC000004869674 559193987 /nfs/dbraw/zinc/19/39/87/559193987.db2.gz ONYKRRVUHYDZCK-JIPXPUAJSA-N 0 1 423.516 5.311 50 30 HKEAMN CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(C)cc3)C2)[C@H]1c1cccnc1 ZINC000004869675 559194004 /nfs/dbraw/zinc/19/40/04/559194004.db2.gz ONYKRRVUHYDZCK-KDYSTLNUSA-N 0 1 423.516 5.311 50 30 HKEAMN CCCC1S/C(=N/N=C/c2cccc3ccccc23)N(Cc2ccccc2C)C1=O ZINC000004888672 559197775 /nfs/dbraw/zinc/19/77/75/559197775.db2.gz MWGUENIFBORDOX-JGTLJEJISA-N 0 1 415.562 5.782 50 30 HKEAMN CCCC1S/C(=N/N=C/c2cccc3ccccc23)N(Cc2ccccc2C)C1=O ZINC000004888673 559197777 /nfs/dbraw/zinc/19/77/77/559197777.db2.gz MWGUENIFBORDOX-LPKHAAKTSA-N 0 1 415.562 5.782 50 30 HKEAMN CCCC1S/C(=N/N=C/c2cccs2)N(Cc2cccc3ccccc32)C1=O ZINC000004889175 559197782 /nfs/dbraw/zinc/19/77/82/559197782.db2.gz DCQBXIAHENZUTI-ZNVYLOEZSA-N 0 1 407.564 5.536 50 30 HKEAMN CCCC1S/C(=N/N=C/c2cccs2)N(Cc2cccc3ccccc32)C1=O ZINC000004889176 559197810 /nfs/dbraw/zinc/19/78/10/559197810.db2.gz DCQBXIAHENZUTI-PPPMLJSVSA-N 0 1 407.564 5.536 50 30 HKEAMN Cc1ccc(/C=N/N=C2/SC(C)C(=O)N2Cc2cccc3ccccc32)c(C)c1 ZINC000004889182 559197829 /nfs/dbraw/zinc/19/78/29/559197829.db2.gz GIXWLNKBJJGFOB-PDFGPKNISA-N 0 1 401.535 5.311 50 30 HKEAMN Cc1ccc(/C=N/N=C2/SC(C)C(=O)N2Cc2cccc3ccccc32)c(C)c1 ZINC000004889183 559197867 /nfs/dbraw/zinc/19/78/67/559197867.db2.gz GIXWLNKBJJGFOB-LUIFUGJFSA-N 0 1 401.535 5.311 50 30 HKEAMN CCCCC1S/C(=N\N=C\c2ccccc2)N(Cc2cccc3ccccc32)C1=O ZINC000004889266 559197793 /nfs/dbraw/zinc/19/77/93/559197793.db2.gz NUCBXIXKYVHAAO-DHPWMCHXSA-N 0 1 415.562 5.864 50 30 HKEAMN CCCCC1S/C(=N\N=C\c2ccccc2)N(Cc2cccc3ccccc32)C1=O ZINC000004889267 559197861 /nfs/dbraw/zinc/19/78/61/559197861.db2.gz NUCBXIXKYVHAAO-WUQQWCGSSA-N 0 1 415.562 5.864 50 30 HKEAMN CCCCC1S/C(=N/N=C/c2ccc(C)cc2)N(Cc2ccc(OC)cc2)C1=O ZINC000004889293 559197835 /nfs/dbraw/zinc/19/78/35/559197835.db2.gz WTXCCRJQCPCOEX-ARGSHCIWSA-N 0 1 409.555 5.028 50 30 HKEAMN CCCCC1S/C(=N/N=C/c2ccc(C)cc2)N(Cc2ccc(OC)cc2)C1=O ZINC000004889294 559197814 /nfs/dbraw/zinc/19/78/14/559197814.db2.gz WTXCCRJQCPCOEX-PTHMFHIQSA-N 0 1 409.555 5.028 50 30 HKEAMN CCC1S/C(=N/N=C/c2cccc3ccccc23)N(Cc2ccc(OC)cc2)C1=O ZINC000004889375 559197817 /nfs/dbraw/zinc/19/78/17/559197817.db2.gz XIHYHVVFWMMUCK-FTTRISJGSA-N 0 1 417.534 5.093 50 30 HKEAMN CCC1S/C(=N/N=C/c2cccc3ccccc23)N(Cc2ccc(OC)cc2)C1=O ZINC000004889376 559197826 /nfs/dbraw/zinc/19/78/26/559197826.db2.gz XIHYHVVFWMMUCK-SNPIYUIBSA-N 0 1 417.534 5.093 50 30 HKEAMN CCCC1S/C(=N/N=C/c2ccccc2)N(Cc2cccc3ccccc32)C1=O ZINC000004898890 559199025 /nfs/dbraw/zinc/19/90/25/559199025.db2.gz WHXYRHUKHGMFFF-XHSKXDHISA-N 0 1 401.535 5.474 50 30 HKEAMN CCCC1S/C(=N/N=C/c2ccccc2)N(Cc2cccc3ccccc32)C1=O ZINC000004898891 559199044 /nfs/dbraw/zinc/19/90/44/559199044.db2.gz WHXYRHUKHGMFFF-AKFYTOGBSA-N 0 1 401.535 5.474 50 30 HKEAMN CCC1S/C(=N/N=C/c2ccc(OC)cc2)N(Cc2cccc3ccccc32)C1=O ZINC000004899074 559199091 /nfs/dbraw/zinc/19/90/91/559199091.db2.gz JDNUEOWPQRBVJU-FTTRISJGSA-N 0 1 417.534 5.093 50 30 HKEAMN CCC1S/C(=N/N=C/c2ccc(OC)cc2)N(Cc2cccc3ccccc32)C1=O ZINC000004899075 559199074 /nfs/dbraw/zinc/19/90/74/559199074.db2.gz JDNUEOWPQRBVJU-SNPIYUIBSA-N 0 1 417.534 5.093 50 30 HKEAMN CCC1S/C(=N/N=C/c2cccc3ccccc23)N(Cc2ccc(F)cc2)C1=O ZINC000004899085 559199113 /nfs/dbraw/zinc/19/91/13/559199113.db2.gz PMFKVTALUGFERM-DAMKXSJNSA-N 0 1 405.498 5.223 50 30 HKEAMN CCC1S/C(=N/N=C/c2cccc3ccccc23)N(Cc2ccc(F)cc2)C1=O ZINC000004899086 559199061 /nfs/dbraw/zinc/19/90/61/559199061.db2.gz PMFKVTALUGFERM-NNLCKWJRSA-N 0 1 405.498 5.223 50 30 HKEAMN CCCCC1S/C(=N/N=C/c2ccc(C)cc2C)N(Cc2ccc(F)cc2)C1=O ZINC000004899365 559199199 /nfs/dbraw/zinc/19/91/99/559199199.db2.gz CBXLGGVASYWVNZ-DAMKXSJNSA-N 0 1 411.546 5.467 50 30 HKEAMN CCCCC1S/C(=N/N=C/c2ccc(C)cc2C)N(Cc2ccc(F)cc2)C1=O ZINC000004899366 559199175 /nfs/dbraw/zinc/19/91/75/559199175.db2.gz CBXLGGVASYWVNZ-NNLCKWJRSA-N 0 1 411.546 5.467 50 30 HKEAMN COc1ccc(/C=C/C(=O)c2ccccc2O)cc1COc1ccc([N+](=O)[O-])c(C)c1 ZINC000004904624 557611766 /nfs/dbraw/zinc/61/17/66/557611766.db2.gz TYBDFYGXKOVOPG-YRNVUSSQSA-N 0 1 419.433 5.093 50 30 HKEAMN CCCCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000004905160 559200519 /nfs/dbraw/zinc/20/05/19/559200519.db2.gz MIPISNOMXVNPMV-GOSISDBHSA-N 0 1 404.293 5.372 50 30 HKEAMN CCCCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000004905170 559200525 /nfs/dbraw/zinc/20/05/25/559200525.db2.gz MIPISNOMXVNPMV-SFHVURJKSA-N 0 1 404.293 5.372 50 30 HKEAMN CCC1S/C(=N/N=C/c2ccccc2OC)N(Cc2cccc3ccccc32)C1=O ZINC000004909760 559201565 /nfs/dbraw/zinc/20/15/65/559201565.db2.gz GMUAHLKPDUUAGK-FTTRISJGSA-N 0 1 417.534 5.093 50 30 HKEAMN CCC1S/C(=N/N=C/c2ccccc2OC)N(Cc2cccc3ccccc32)C1=O ZINC000004909766 559201574 /nfs/dbraw/zinc/20/15/74/559201574.db2.gz GMUAHLKPDUUAGK-SNPIYUIBSA-N 0 1 417.534 5.093 50 30 HKEAMN CC1S/C(=N/N=C/c2ccc(Cl)cc2)N(Cc2cccc3ccccc32)C1=O ZINC000004935241 559210189 /nfs/dbraw/zinc/21/01/89/559210189.db2.gz LLWGNAGAPXUASA-JKLGJUPNSA-N 0 1 407.926 5.347 50 30 HKEAMN CC1S/C(=N/N=C/c2ccc(Cl)cc2)N(Cc2cccc3ccccc32)C1=O ZINC000004935243 559210207 /nfs/dbraw/zinc/21/02/07/559210207.db2.gz LLWGNAGAPXUASA-SVCNVDQGSA-N 0 1 407.926 5.347 50 30 HKEAMN CCCCC1S/C(=N\N=C\c2cccc3ccccc23)N(Cc2ccccc2)C1=O ZINC000004935807 559210683 /nfs/dbraw/zinc/21/06/83/559210683.db2.gz PJBLWWOSBWUEIB-WUQQWCGSSA-N 0 1 415.562 5.864 50 30 HKEAMN CCCCC1S/C(=N/N=C/c2ccc(C)cc2C)N(Cc2ccccc2C)C1=O ZINC000004936144 559210757 /nfs/dbraw/zinc/21/07/57/559210757.db2.gz WCTSUQOMKZPMGE-FTTRISJGSA-N 0 1 407.583 5.636 50 30 HKEAMN CCCCC1S/C(=N/N=C/c2ccc(C)cc2C)N(Cc2ccccc2C)C1=O ZINC000004936146 559210703 /nfs/dbraw/zinc/21/07/03/559210703.db2.gz WCTSUQOMKZPMGE-SNPIYUIBSA-N 0 1 407.583 5.636 50 30 HKEAMN CCCCC1S/C(=N/N=C/c2ccc(Cl)cc2)N(Cc2ccc(F)cc2)C1=O ZINC000004951345 559215881 /nfs/dbraw/zinc/21/58/81/559215881.db2.gz LOLKGDPOQFSHNT-MZKWWRRPSA-N 0 1 417.937 5.503 50 30 HKEAMN CCCCC1S/C(=N/N=C/c2ccc(Cl)cc2)N(Cc2ccc(F)cc2)C1=O ZINC000004951353 559215867 /nfs/dbraw/zinc/21/58/67/559215867.db2.gz LOLKGDPOQFSHNT-IFRDHECKSA-N 0 1 417.937 5.503 50 30 HKEAMN CCCCC1S/C(=N/N=C/c2ccccc2OC)N(Cc2ccccc2C)C1=O ZINC000004952201 559215990 /nfs/dbraw/zinc/21/59/90/559215990.db2.gz VRFQWUJFWUXMCH-ARGSHCIWSA-N 0 1 409.555 5.028 50 30 HKEAMN CCCCC1S/C(=N/N=C/c2ccccc2OC)N(Cc2ccccc2C)C1=O ZINC000004952207 559215931 /nfs/dbraw/zinc/21/59/31/559215931.db2.gz VRFQWUJFWUXMCH-PTHMFHIQSA-N 0 1 409.555 5.028 50 30 HKEAMN CCOc1cc(C=NN=c2[nH]c3ccccc3s2)ccc1OCc1ccccc1 ZINC000004954197 557617035 /nfs/dbraw/zinc/61/70/35/557617035.db2.gz NVUSMARWVUWXLK-BUVRLJJBSA-N 0 1 403.507 5.720 50 30 HKEAMN CCOc1cc(C=[NH+][N-]c2nc3ccccc3s2)ccc1OCc1ccccc1 ZINC000004954197 557617036 /nfs/dbraw/zinc/61/70/36/557617036.db2.gz NVUSMARWVUWXLK-BUVRLJJBSA-N 0 1 403.507 5.720 50 30 HKEAMN O=[N+]([O-])c1ccc(COc2cccc(C=NN=c3[nH]c4ccccc4s3)c2)cc1 ZINC000004954198 557617046 /nfs/dbraw/zinc/61/70/46/557617046.db2.gz AZMVQNKOQXORDV-LPYMAVHISA-N 0 1 404.451 5.230 50 30 HKEAMN O=[N+]([O-])c1ccc(COc2cccc(C=[NH+][N-]c3nc4ccccc4s3)c2)cc1 ZINC000004954198 557617047 /nfs/dbraw/zinc/61/70/47/557617047.db2.gz AZMVQNKOQXORDV-LPYMAVHISA-N 0 1 404.451 5.230 50 30 HKEAMN CCCCC1S/C(=N/N=C/c2ccco2)N(Cc2cccc3ccccc32)C1=O ZINC000004954827 559216496 /nfs/dbraw/zinc/21/64/96/559216496.db2.gz NMXVGXJUXGIFNT-ARGSHCIWSA-N 0 1 405.523 5.457 50 30 HKEAMN CCCCC1S/C(=N/N=C/c2ccco2)N(Cc2cccc3ccccc32)C1=O ZINC000004954831 559216481 /nfs/dbraw/zinc/21/64/81/559216481.db2.gz NMXVGXJUXGIFNT-PTHMFHIQSA-N 0 1 405.523 5.457 50 30 HKEAMN CCC1S/C(=N/N=C/c2ccc(C)cc2)N(Cc2cccc3ccccc32)C1=O ZINC000004956224 559216628 /nfs/dbraw/zinc/21/66/28/559216628.db2.gz LKQYULGPIDNFCE-FTTRISJGSA-N 0 1 401.535 5.392 50 30 HKEAMN CCC1S/C(=N/N=C/c2ccc(C)cc2)N(Cc2cccc3ccccc32)C1=O ZINC000004956228 559216623 /nfs/dbraw/zinc/21/66/23/559216623.db2.gz LKQYULGPIDNFCE-SNPIYUIBSA-N 0 1 401.535 5.392 50 30 HKEAMN CCCCC1S/C(=N\N=C\c2cccs2)N(Cc2cccc3ccccc32)C1=O ZINC000004956391 559216717 /nfs/dbraw/zinc/21/67/17/559216717.db2.gz VKDQYIVUOGMKMT-DZRHBTRISA-N 0 1 421.591 5.926 50 30 HKEAMN CCC1S/C(=N/N=C/c2cccc3ccccc23)N(Cc2ccccc2C)C1=O ZINC000004957612 559216213 /nfs/dbraw/zinc/21/62/13/559216213.db2.gz WVKUJRXKEZACKK-FTTRISJGSA-N 0 1 401.535 5.392 50 30 HKEAMN CCC1S/C(=N/N=C/c2cccc3ccccc23)N(Cc2ccccc2C)C1=O ZINC000004957614 559216186 /nfs/dbraw/zinc/21/61/86/559216186.db2.gz WVKUJRXKEZACKK-SNPIYUIBSA-N 0 1 401.535 5.392 50 30 HKEAMN C(=[NH+][N-]c1nc2ccccc2s1)c1ccc(OCc2cccc3ccccc32)cc1 ZINC000004974020 557619028 /nfs/dbraw/zinc/61/90/28/557619028.db2.gz DWKYLOHXKYZIPF-WGOQTCKBSA-N 0 1 409.514 6.475 50 30 HKEAMN Cc1ccc(-c2nc3ccccc3c(NN=Cc3c(O)ccc4ccccc43)n2)cc1 ZINC000004990020 557621764 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5.230 50 30 HKEAMN Clc1ccccc1Cn1cc(C=NNc2nc3ccccc3s2)c2ccccc21 ZINC000005017544 557626253 /nfs/dbraw/zinc/62/62/53/557626253.db2.gz MRHVHKBOTKOZQL-DHRITJCHSA-N 0 1 416.937 6.399 50 30 HKEAMN O=[N+]([O-])c1ccc(COc2ccccc2C=NNc2nc3ccccc3s2)cc1 ZINC000005023683 557627035 /nfs/dbraw/zinc/62/70/35/557627035.db2.gz BMAUMAPNDYAQBK-LPYMAVHISA-N 0 1 404.451 5.230 50 30 HKEAMN Fc1ccccc1-c1nc2ccccc2c(NN=Cc2ccc(Cl)cc2Cl)n1 ZINC000005024597 559230014 /nfs/dbraw/zinc/23/00/14/559230014.db2.gz LIPJHOCMIFMYDN-BRJLIKDPSA-N 0 1 411.267 6.189 50 30 HKEAMN CC(C)Oc1ccc(-c2nc3ccccc3c(NN=Cc3ccccc3F)n2)cc1 ZINC000005033109 559231585 /nfs/dbraw/zinc/23/15/85/559231585.db2.gz ASEMXCAEDBLYOP-CVKSISIWSA-N 0 1 400.457 5.669 50 30 HKEAMN Clc1ccc(OCCCn2cccc2C=NNc2nc3ccccc3s2)cc1 ZINC000005046875 571310482 /nfs/dbraw/zinc/31/04/82/571310482.db2.gz YWWMWGYCXRUUJP-HZHRSRAPSA-N 0 1 410.930 5.666 50 30 HKEAMN Clc1cccc(Cl)c1Cn1cccc1C=NNc1nc2ccccc2s1 ZINC000005069834 571310542 /nfs/dbraw/zinc/31/05/42/571310542.db2.gz 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CC(C)C(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@H]1c1ccc(Cl)cc1 ZINC000005092374 557635005 /nfs/dbraw/zinc/63/50/05/557635005.db2.gz HKIHPKOBKHKTME-HSZRJFAPSA-N 0 1 422.956 6.139 50 30 HKEAMN COc1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)C(C)C)cc1 ZINC000005092404 557635021 /nfs/dbraw/zinc/63/50/21/557635021.db2.gz OQLMZEAGOISKJR-DEOSSOPVSA-N 0 1 418.537 5.494 50 30 HKEAMN COc1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)C(C)C)cc1 ZINC000005092407 557634943 /nfs/dbraw/zinc/63/49/43/557634943.db2.gz OQLMZEAGOISKJR-XMMPIXPASA-N 0 1 418.537 5.494 50 30 HKEAMN CCCCC1S/C(=N\N=C\c2ccc(Cl)cc2)N(Cc2ccccc2C)C1=O ZINC000005092520 559244028 /nfs/dbraw/zinc/24/40/28/559244028.db2.gz LJGVTRXEFQGBTI-DJJQPEHWSA-N 0 1 413.974 5.673 50 30 HKEAMN CCC1S/C(=N/N=C/c2ccc(C)cc2C)N(Cc2cccc3ccccc32)C1=O ZINC000005092539 559244044 /nfs/dbraw/zinc/24/40/44/559244044.db2.gz AJDWCAPTDNGUFZ-BUMUASTJSA-N 0 1 415.562 5.701 50 30 HKEAMN CCC1S/C(=N/N=C/c2ccc(C)cc2C)N(Cc2cccc3ccccc32)C1=O ZINC000005092542 559244010 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CC(C)(C)c1ccc(OCCn2cccc2C=[NH+][N-]c2nc3ccccc3s2)cc1 ZINC000005093844 571305252 /nfs/dbraw/zinc/30/52/52/571305252.db2.gz YESWZQGEJPPZPW-KOEQRZSOSA-N 0 1 418.566 5.920 50 30 HKEAMN CCCC1S/C(=N\N=C\c2cccc3ccccc23)N(Cc2ccccc2)C1=O ZINC000005093917 559244459 /nfs/dbraw/zinc/24/44/59/559244459.db2.gz HCWNLRXQCUAPJV-WHEZCBNMSA-N 0 1 401.535 5.474 50 30 HKEAMN Clc1ccc(Cn2cccc2C=NNc2nc3ccccc3s2)cc1Cl ZINC000005094120 571310487 /nfs/dbraw/zinc/31/04/87/571310487.db2.gz IDJJJJSDNUEZHC-SSDVNMTOSA-N 0 1 401.322 5.899 50 30 HKEAMN CCCCC1S/C(=N/N=C/c2ccc(C)cc2C)N(Cc2ccc(OC)cc2)C1=O ZINC000005100921 559245373 /nfs/dbraw/zinc/24/53/73/559245373.db2.gz PWEBKOBRFDZTTM-FTTRISJGSA-N 0 1 423.582 5.336 50 30 HKEAMN CCCCC1S/C(=N/N=C/c2ccc(C)cc2C)N(Cc2ccc(OC)cc2)C1=O ZINC000005100922 559245387 /nfs/dbraw/zinc/24/53/87/559245387.db2.gz PWEBKOBRFDZTTM-SNPIYUIBSA-N 0 1 423.582 5.336 50 30 HKEAMN O=C(c1ccccc1)N1c2ccccc2N=C2CCCC(=O)C2[C@@H]1c1cccs1 ZINC000005101032 557635537 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30 HKEAMN CCCCC(=O)N1c2ccccc2N=C2CCCC(=O)C2[C@@H]1c1ccc(Cl)cc1 ZINC000005102854 557636302 /nfs/dbraw/zinc/63/63/02/557636302.db2.gz DRAXHFGDAHGOHY-DEOSSOPVSA-N 0 1 408.929 6.037 50 30 HKEAMN CCCCC(=O)N1c2ccccc2N=C2CCCC(=O)C2[C@H]1c1ccc(Cl)cc1 ZINC000005102855 557636358 /nfs/dbraw/zinc/63/63/58/557636358.db2.gz DRAXHFGDAHGOHY-XMMPIXPASA-N 0 1 408.929 6.037 50 30 HKEAMN CCC(=O)N1c2ccccc2N=C2CCCC(=O)C2[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000005103007 557636657 /nfs/dbraw/zinc/63/66/57/557636657.db2.gz UICIKYGOXPTRQI-QFIPXVFZSA-N 0 1 415.320 5.910 50 30 HKEAMN CCC(=O)N1c2ccccc2N=C2CCCC(=O)C2[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000005103010 557636620 /nfs/dbraw/zinc/63/66/20/557636620.db2.gz UICIKYGOXPTRQI-JOCHJYFZSA-N 0 1 415.320 5.910 50 30 HKEAMN CCCCC(=O)N1c2ccccc2N=C2CCCC(=O)C2[C@@H]1c1ccccc1OC ZINC000005103070 557636578 /nfs/dbraw/zinc/63/65/78/557636578.db2.gz BZBROECMRAXRIT-VWLOTQADSA-N 0 1 404.510 5.392 50 30 HKEAMN CCCCC(=O)N1c2ccccc2N=C2CCCC(=O)C2[C@H]1c1ccccc1OC ZINC000005103072 557636613 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C=CC[NH+](CC=C)Cc1c2c(ccc1[O-])oc(C)c2C(=O)Nc1ccc(C)cc1C ZINC000005182762 559290070 /nfs/dbraw/zinc/29/00/70/559290070.db2.gz RVYKGODGAYYKJW-UHFFFAOYSA-N 0 1 404.510 5.490 50 30 HKEAMN C=CC[NH+](CC=C)Cc1c2c(ccc1[O-])oc(C)c2C(=O)Nc1cccc(Cl)c1C ZINC000005182777 559290079 /nfs/dbraw/zinc/29/00/79/559290079.db2.gz GIKICPVTSHQTFU-UHFFFAOYSA-N 0 1 424.928 5.835 50 30 HKEAMN C=CC[NH+](CC=C)Cc1c([O-])ccc2c1oc(C)c(Oc1cc(C)cc(C)c1)c2=O ZINC000005182790 559290102 /nfs/dbraw/zinc/29/01/02/559290102.db2.gz RGCPHYDNEBXZFZ-UHFFFAOYSA-N 0 1 405.494 5.390 50 30 HKEAMN C=C(C)COc1ccc(-c2[nH]nc(C(F)(F)F)c2-c2ccccc2OC)c(O)c1 ZINC000005185974 559290811 /nfs/dbraw/zinc/29/08/11/559290811.db2.gz QNGAAMRKYMIISM-UHFFFAOYSA-N 0 1 404.388 5.432 50 30 HKEAMN C=CCOc1c(Cl)cc(Cc2c(C)[nH]n(-c3ccc(CC)cc3)c2=O)cc1OC ZINC000005198839 559292321 /nfs/dbraw/zinc/29/23/21/559292321.db2.gz HGJFCOZROPSTLC-IBGZPJMESA-N 0 1 412.917 5.057 50 30 HKEAMN CCCCOc1ccc(/C=N/N=C2/NC(=O)C(Cc3ccc(C(C)C)cc3)S2)cc1 ZINC000005234053 560547935 /nfs/dbraw/zinc/54/79/35/560547935.db2.gz JMRSDYUYGIXEEL-NJRDNMGOSA-N 0 1 423.582 5.153 50 30 HKEAMN CCCN(CCC)c1ccc(C=[NH+]Nc2nnc3c4cc(CC)ccc4nc-3[n-]2)cc1 ZINC000005261256 557642353 /nfs/dbraw/zinc/64/23/53/557642353.db2.gz XIUXVHWPXSJEOE-PCLIKHOPSA-N 0 1 415.545 5.141 50 30 HKEAMN C=C(C)CN1CCN(c2cc(-c3ccccc3)nc3c(-c4ccccc4)c(C)nn32)CC1 ZINC000005325412 560565266 /nfs/dbraw/zinc/56/52/66/560565266.db2.gz HHXKQVBFKXFIEI-UHFFFAOYSA-N 0 1 423.564 5.070 50 30 HKEAMN CCOc1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)CC)cc1 ZINC000005393139 560583144 /nfs/dbraw/zinc/58/31/44/560583144.db2.gz PRIYUFNTLDCFAH-VWLOTQADSA-N 0 1 418.537 5.638 50 30 HKEAMN CCOc1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)CC)cc1 ZINC000005393140 560583179 /nfs/dbraw/zinc/58/31/79/560583179.db2.gz PRIYUFNTLDCFAH-RUZDIDTESA-N 0 1 418.537 5.638 50 30 HKEAMN Cc1nn(-c2ccccn2)c2c1C(=Nc1ccccc1)C(C=Nc1ccccc1)CC2 ZINC000005425422 557653184 /nfs/dbraw/zinc/65/31/84/557653184.db2.gz AODVQMYHOKJYRV-SMGWWCFGSA-N 0 1 405.505 5.639 50 30 HKEAMN COc1ccc2c(c1)c(C=NN=c1[nH]c3ccccc3[nH]1)c(C)n2Cc1ccccc1 ZINC000005457010 560591583 /nfs/dbraw/zinc/59/15/83/560591583.db2.gz ZPCWUFQCPZXZEB-CVKSISIWSA-N 0 1 409.493 5.329 50 30 HKEAMN CCOc1ccc(/N=C/c2c(O)c(C(=O)Nc3ccccc3)cc3ccccc32)cc1 ZINC000005465284 560592017 /nfs/dbraw/zinc/59/20/17/560592017.db2.gz AWNZAMVMQMZVAN-WPWMEQJKSA-N 0 1 410.473 5.947 50 30 HKEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000005490617 557657208 /nfs/dbraw/zinc/65/72/08/557657208.db2.gz RYSWMVHRWVFVHI-HSZRJFAPSA-N 0 1 415.489 5.490 50 30 HKEAMN O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@H]1c1ccc(Cl)cc1)c1ccccc1 ZINC000005491396 560597555 /nfs/dbraw/zinc/59/75/55/560597555.db2.gz MLJURJYTLVVIER-QFIPXVFZSA-N 0 1 417.892 5.161 50 30 HKEAMN O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1)c1ccc(Cl)cc1 ZINC000005491403 557657535 /nfs/dbraw/zinc/65/75/35/557657535.db2.gz CHSICNGMLHMRHT-OAQYLSRUSA-N 0 1 403.865 5.119 50 30 HKEAMN O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@H]1c1ccccc1)c1ccc(Cl)cc1 ZINC000005491406 557657502 /nfs/dbraw/zinc/65/75/02/557657502.db2.gz CHSICNGMLHMRHT-NRFANRHFSA-N 0 1 403.865 5.119 50 30 HKEAMN CCC(C)(C)[C@@H]1CCc2sc3ncnc(NN=Cc4cccc([N+](=O)[O-])c4)c3c2C1 ZINC000005501438 557658643 /nfs/dbraw/zinc/65/86/43/557658643.db2.gz YPSJJXDQZFBIJS-HURLIOHXSA-N 0 1 423.542 5.587 50 30 HKEAMN CCC(C)(C)[C@H]1CCc2sc3ncnc(NN=Cc4cccc([N+](=O)[O-])c4)c3c2C1 ZINC000005501520 557658650 /nfs/dbraw/zinc/65/86/50/557658650.db2.gz YPSJJXDQZFBIJS-FCUAXUHVSA-N 0 1 423.542 5.587 50 30 HKEAMN O=[N+]([O-])c1cc([N+](=O)[O-])c(Nc2ccccc2/N=C/c2ccccc2O)cc1Cl ZINC000005514614 560603591 /nfs/dbraw/zinc/60/35/91/560603591.db2.gz CQLGDDJMWDRCHW-SRZZPIQSSA-N 0 1 412.789 5.356 50 30 HKEAMN CCCCOc1ccccc1/C=N/N=C1\NC(=O)C(Cc2ccc(C(C)C)cc2)S1 ZINC000005546175 560607641 /nfs/dbraw/zinc/60/76/41/560607641.db2.gz JQVRCJWPZWKISA-LWROZRRASA-N 0 1 423.582 5.153 50 30 HKEAMN CCCCOc1ccccc1/C=N/N=C1\NC(=O)C(Cc2ccc(C(C)C)cc2)S1 ZINC000005546178 560607654 /nfs/dbraw/zinc/60/76/54/560607654.db2.gz JQVRCJWPZWKISA-NJRDNMGOSA-N 0 1 423.582 5.153 50 30 HKEAMN COc1ccccc1NC(=O)c1cc2ccccc2c(/C=N/c2ccccc2C)c1O ZINC000005548984 560607848 /nfs/dbraw/zinc/60/78/48/560607848.db2.gz XRPLUGRFHIRAKM-JVWAILMASA-N 0 1 410.473 5.865 50 30 HKEAMN C=CCc1ccc(Oc2nc(-c3cccc(OC)c3O)nc3ccccc32)c(OC)c1 ZINC000005562407 560618602 /nfs/dbraw/zinc/61/86/02/560618602.db2.gz VQOYHRMKDJIHPX-UHFFFAOYSA-N 0 1 414.461 5.540 50 30 HKEAMN Fc1ccccc1-c1ccc(C=NN=c2nc[nH]c3scc(-c4ccccc4)c32)o1 ZINC000005575820 560624510 /nfs/dbraw/zinc/62/45/10/560624510.db2.gz PTOBKEBDRRUZNS-KKMKTNMSSA-N 0 1 414.465 6.203 50 30 HKEAMN Cc1n[nH]c(C)c1Sc1ccccc1N=Cc1c(C)[nH]n(-c2ccccc2)c1=O ZINC000005611727 560630360 /nfs/dbraw/zinc/63/03/60/560630360.db2.gz JOKSKKBDMGSPCO-YDZHTSKRSA-N 0 1 403.511 5.128 50 30 HKEAMN CC(C)(C)c1ccc(-c2n[nH]c(=S)n2N=Cc2c(O)ccc3ccccc32)cc1 ZINC000005669421 557667640 /nfs/dbraw/zinc/66/76/40/557667640.db2.gz SUBSPGYBIRDWDZ-ZVHZXABRSA-N 0 1 402.523 5.646 50 30 HKEAMN CC(C)(C)c1ccc(-c2n[nH]c(=S)n2N=Cc2ccc(-c3ccccc3)cc2)cc1 ZINC000005669432 560750864 /nfs/dbraw/zinc/75/08/64/560750864.db2.gz WRKSGJKEGRNCQR-YZSQISJMSA-N 0 1 412.562 6.454 50 30 HKEAMN CC(C)(C)c1ccc(-c2n[nH]c(=S)n2N=Cc2cccc(Br)c2)cc1 ZINC000005669434 557667584 /nfs/dbraw/zinc/66/75/84/557667584.db2.gz IKEQMRPFYAIWFX-CIAFOILYSA-N 0 1 415.360 5.550 50 30 HKEAMN CC(C)(C)c1ccc(-c2n[nH]c(=S)n2N=Cc2ccccc2Br)cc1 ZINC000005669443 557667576 /nfs/dbraw/zinc/66/75/76/557667576.db2.gz HCCJFFGINWYZER-CIAFOILYSA-N 0 1 415.360 5.550 50 30 HKEAMN CC(C)Oc1cccc(-c2n[nH]c(=S)n2N=Cc2c(Cl)cccc2Cl)c1 ZINC000005690096 557669110 /nfs/dbraw/zinc/66/91/10/557669110.db2.gz KESORSLIPCFFHZ-UFFVCSGVSA-N 0 1 407.326 5.584 50 30 HKEAMN CC(C)Oc1cccc(-c2n[nH]c(=S)n2N=Cc2ccc(Cl)cc2Cl)c1 ZINC000005690099 557669103 /nfs/dbraw/zinc/66/91/03/557669103.db2.gz WOWCHDXRZJSDLR-UFFVCSGVSA-N 0 1 407.326 5.584 50 30 HKEAMN CC(C)Oc1cccc(-c2n[nH]c(=S)n2N=Cc2cccc(Cl)c2Cl)c1 ZINC000005690102 557669021 /nfs/dbraw/zinc/66/90/21/557669021.db2.gz ZMRVJMYNMOLMOG-UFFVCSGVSA-N 0 1 407.326 5.584 50 30 HKEAMN CCCC1S/C(=N\N=C\c2ccccc2)N(Cc2cccc3ccccc32)C1=O ZINC000005738735 560861791 /nfs/dbraw/zinc/86/17/91/560861791.db2.gz WHXYRHUKHGMFFF-LIQAOFCOSA-N 0 1 401.535 5.474 50 30 HKEAMN C=CCc1cccc([C@H]2CC(c3c(O)cc(C)oc3=O)=Nc3ccccc3S2)c1O ZINC000005783412 568719892 /nfs/dbraw/zinc/71/98/92/568719892.db2.gz LWQZPGDPEFRSMA-OAQYLSRUSA-N 0 1 419.502 5.446 50 30 biogenic HKEAMN CC(C)(C)c1ccc(-c2n[nH]c(=S)n2N=Cc2ccccc2C(F)(F)F)cc1 ZINC000005789605 557674537 /nfs/dbraw/zinc/67/45/37/557674537.db2.gz ZUBNTFPDHJZUIE-WYMPLXKRSA-N 0 1 404.461 5.806 50 30 HKEAMN CC(C)Oc1cccc(-c2n[nH]c(=S)n2N=Cc2ccc(Cl)c(Cl)c2)c1 ZINC000005789820 557674499 /nfs/dbraw/zinc/67/44/99/557674499.db2.gz WUCODURNGWTLBK-UFFVCSGVSA-N 0 1 407.326 5.584 50 30 HKEAMN CCCCCOc1ccc(C=Nn2c(=S)[nH]nc2-c2cccc(OCC)c2)cc1 ZINC000005825016 569072115 /nfs/dbraw/zinc/07/21/15/569072115.db2.gz CJWWPLUVVLNJPN-XQNSMLJCSA-N 0 1 410.543 5.458 50 30 HKEAMN CC(C)(C)c1ccc(-c2n[nH]c(=S)n2N=Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000005857610 557677720 /nfs/dbraw/zinc/67/77/20/557677720.db2.gz WHDZNLIGCCUTFB-WYMPLXKRSA-N 0 1 404.461 5.806 50 30 HKEAMN Cc1cc(C=NNc2nc3ccccc3s2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000005894247 568828428 /nfs/dbraw/zinc/82/84/28/568828428.db2.gz ICCXJMPTVLADAG-FOKLQQMPSA-N 0 1 415.349 6.457 50 30 HKEAMN CCOc1ccc(-c2n[nH]c(=S)n2N=Cc2c(OC)ccc3ccccc32)cc1 ZINC000005900398 568828742 /nfs/dbraw/zinc/82/87/42/568828742.db2.gz OVNFLKHGCRWPAY-OEAKJJBVSA-N 0 1 404.495 5.050 50 30 HKEAMN CCOc1ccc(-c2n[nH]c(=S)n2N=Cc2ccc(-c3ccccc3)cc2)cc1 ZINC000005900433 568828805 /nfs/dbraw/zinc/82/88/05/568828805.db2.gz LWCXLAZRGPTDFN-LFVJCYFKSA-N 0 1 400.507 5.556 50 30 HKEAMN CCOc1ccc(-c2n[nH]c(=S)n2N=Cc2cccc(Oc3ccccc3)c2)cc1 ZINC000005900449 568828765 /nfs/dbraw/zinc/82/87/65/568828765.db2.gz RIZXSLZNSYQLEC-LFVJCYFKSA-N 0 1 416.506 5.681 50 30 HKEAMN CCOc1cccc(-c2n[nH]c(=S)n2N=Cc2c(OC)ccc3ccccc32)c1 ZINC000005900768 569072050 /nfs/dbraw/zinc/07/20/50/569072050.db2.gz HKCMFQDFVXRMNV-OEAKJJBVSA-N 0 1 404.495 5.050 50 30 HKEAMN CCOc1cccc(-c2n[nH]c(=S)n2N=Cc2ccc(-c3ccccc3)cc2)c1 ZINC000005900792 569072086 /nfs/dbraw/zinc/07/20/86/569072086.db2.gz KAKNTLJSBJEVHM-LFVJCYFKSA-N 0 1 400.507 5.556 50 30 HKEAMN CCOc1cccc(-c2n[nH]c(=S)n2N=Cc2cccc(Oc3ccccc3)c2)c1 ZINC000005900803 569072131 /nfs/dbraw/zinc/07/21/31/569072131.db2.gz GHOXDBKEHJOBQN-LFVJCYFKSA-N 0 1 416.506 5.681 50 30 HKEAMN COc1cccc(-c2n[nH]c(=S)n2N=Cc2ccc(OCc3ccccc3)cc2)c1 ZINC000005932608 557681454 /nfs/dbraw/zinc/68/14/54/557681454.db2.gz ISLWRDCLBKBVFI-BUVRLJJBSA-N 0 1 416.506 5.077 50 30 HKEAMN COc1cccc(-c2n[nH]c(=S)n2N=Cc2cccc(Oc3ccccc3)c2)c1 ZINC000005932612 557681367 /nfs/dbraw/zinc/68/13/67/557681367.db2.gz JZNSVXRVNICQRD-HZHRSRAPSA-N 0 1 402.479 5.291 50 30 HKEAMN COc1ccccc1/N=C/c1c(O)c(C(=O)Nc2ccccc2C)cc2ccccc21 ZINC000005943179 557681768 /nfs/dbraw/zinc/68/17/68/557681768.db2.gz KYZCTAWYDJPDSG-JVWAILMASA-N 0 1 410.473 5.865 50 30 HKEAMN CCc1n[nH]c(=S)n1N=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000005962059 557682770 /nfs/dbraw/zinc/68/27/70/557682770.db2.gz XPDKSVPSFXEGSS-UFFVCSGVSA-N 0 1 407.326 5.271 50 30 HKEAMN Cc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)C(=O)C(=O)N2Cc2ccco2)cc1 ZINC000005988412 568834405 /nfs/dbraw/zinc/83/44/05/568834405.db2.gz XQDQYUNJSATFKB-JOCHJYFZSA-N 0 1 413.429 5.113 50 30 HKEAMN Cc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)C(=O)C(=O)N2Cc2ccco2)cc1 ZINC000005988415 568834392 /nfs/dbraw/zinc/83/43/92/568834392.db2.gz XQDQYUNJSATFKB-QFIPXVFZSA-N 0 1 413.429 5.113 50 30 HKEAMN CCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000006149620 569015032 /nfs/dbraw/zinc/01/50/32/569015032.db2.gz FABDSMWLMZRMSM-OAQYLSRUSA-N 0 1 411.929 5.807 50 30 HKEAMN CCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(OC)cc1 ZINC000006149622 569015025 /nfs/dbraw/zinc/01/50/25/569015025.db2.gz YBMCBMUGSLPCSO-JOCHJYFZSA-N 0 1 407.510 5.162 50 30 HKEAMN CCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000006149633 569015009 /nfs/dbraw/zinc/01/50/09/569015009.db2.gz FABDSMWLMZRMSM-NRFANRHFSA-N 0 1 411.929 5.807 50 30 HKEAMN CCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(OC)cc1 ZINC000006149634 569014996 /nfs/dbraw/zinc/01/49/96/569014996.db2.gz YBMCBMUGSLPCSO-QFIPXVFZSA-N 0 1 407.510 5.162 50 30 HKEAMN CCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(C(C)C)cc1 ZINC000006160051 569015483 /nfs/dbraw/zinc/01/54/83/569015483.db2.gz OLIOKHSYEAVOGI-XMMPIXPASA-N 0 1 419.565 6.277 50 30 HKEAMN CCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(C(C)C)cc1 ZINC000006160053 569015545 /nfs/dbraw/zinc/01/55/45/569015545.db2.gz OLIOKHSYEAVOGI-DEOSSOPVSA-N 0 1 419.565 6.277 50 30 HKEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@H]2c2ccc(C)cc2)cc1 ZINC000006160891 569015915 /nfs/dbraw/zinc/01/59/15/569015915.db2.gz UYZXFAHVSACWIZ-DEOSSOPVSA-N 0 1 411.501 5.124 50 30 HKEAMN COc1ccccc1-c1n[nH]c(=S)n1N=Cc1ccc(OCc2ccccc2)cc1 ZINC000006166206 557692473 /nfs/dbraw/zinc/69/24/73/557692473.db2.gz HYEYXKYIJUGUFV-BUVRLJJBSA-N 0 1 416.506 5.077 50 30 HKEAMN COc1ccccc1-c1n[nH]c(=S)n1N=Cc1cccc(Oc2ccccc2)c1 ZINC000006166210 569279639 /nfs/dbraw/zinc/27/96/39/569279639.db2.gz XRYIEESEOIAWHB-HZHRSRAPSA-N 0 1 402.479 5.291 50 30 HKEAMN Cc1cccc(-c2n[nH]c(=S)n2N=Cc2ccc(OCc3ccccc3)cc2)c1 ZINC000006174189 557692872 /nfs/dbraw/zinc/69/28/72/557692872.db2.gz OUZDRYWAANYJJK-BUVRLJJBSA-N 0 1 400.507 5.377 50 30 HKEAMN Cc1cccc(-c2n[nH]c(=S)n2N=Cc2cccc(OCc3ccccc3)c2)c1 ZINC000006174191 560861336 /nfs/dbraw/zinc/86/13/36/560861336.db2.gz POMJQIYYOHQDHV-BUVRLJJBSA-N 0 1 400.507 5.377 50 30 HKEAMN S=c1[nH]nc(-c2cccc(Cl)c2)n1N=Cc1cccc(Oc2ccccc2)c1 ZINC000006195105 569279602 /nfs/dbraw/zinc/27/96/02/569279602.db2.gz FPTNJVTWBFGQFV-OEAKJJBVSA-N 0 1 406.898 5.936 50 30 HKEAMN S=c1[nH]nc(-c2cccc(Cl)c2)n1N=Cc1c2ccccc2cc2ccccc21 ZINC000006198039 569279586 /nfs/dbraw/zinc/27/95/86/569279586.db2.gz OETNSTLQOUOSTM-AFUMVMLFSA-N 0 1 414.921 6.450 50 30 HKEAMN CCCCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccc(OC)cc1 ZINC000006245904 569034591 /nfs/dbraw/zinc/03/45/91/569034591.db2.gz DRVGHOIREPWEJL-VWLOTQADSA-N 0 1 404.510 5.392 50 30 HKEAMN CCCCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccc(OC)cc1 ZINC000006245906 569034622 /nfs/dbraw/zinc/03/46/22/569034622.db2.gz DRVGHOIREPWEJL-RUZDIDTESA-N 0 1 404.510 5.392 50 30 HKEAMN CCCCc1ccc(CC2S/C(=N\N=C\c3ccc(C(C)C)cc3)NC2=O)cc1 ZINC000006274000 569036817 /nfs/dbraw/zinc/03/68/17/569036817.db2.gz SIVHQPOUCXNTGM-NJRDNMGOSA-N 0 1 407.583 5.317 50 30 HKEAMN CCCCc1ccc(CC2S/C(=N\N=C\c3ccc(C(C)C)cc3)NC2=O)cc1 ZINC000006274002 569036810 /nfs/dbraw/zinc/03/68/10/569036810.db2.gz SIVHQPOUCXNTGM-LWROZRRASA-N 0 1 407.583 5.317 50 30 HKEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000006300669 569038467 /nfs/dbraw/zinc/03/84/67/569038467.db2.gz UYZXFAHVSACWIZ-XMMPIXPASA-N 0 1 411.501 5.124 50 30 HKEAMN Cc1ccc(CN2C(=O)C(=O)C(C(=O)c3cccs3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000006309349 569279759 /nfs/dbraw/zinc/27/97/59/569279759.db2.gz XGDBPXKTOBGUCP-NRFANRHFSA-N 0 1 403.503 5.143 50 30 HKEAMN O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@H]1c1ccc(Cl)cc1)c1ccccc1 ZINC000006383029 557700811 /nfs/dbraw/zinc/70/08/11/557700811.db2.gz NBXOFNCEBVPOTQ-NRFANRHFSA-N 0 1 403.865 5.119 50 30 HKEAMN O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@@H]1c1ccc(Cl)cc1)c1ccccc1 ZINC000006529514 557706420 /nfs/dbraw/zinc/70/64/20/557706420.db2.gz NBXOFNCEBVPOTQ-OAQYLSRUSA-N 0 1 403.865 5.119 50 30 HKEAMN O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@@H]1c1ccc(Cl)cc1)c1ccccc1 ZINC000006565705 569066261 /nfs/dbraw/zinc/06/62/61/569066261.db2.gz MLJURJYTLVVIER-JOCHJYFZSA-N 0 1 417.892 5.161 50 30 HKEAMN COc1cccc(-c2n[nH]c(=S)n2N=Cc2cccc(OCc3ccccc3)c2)c1 ZINC000006647531 557711836 /nfs/dbraw/zinc/71/18/36/557711836.db2.gz ASLJLQLIFCWGJE-BUVRLJJBSA-N 0 1 416.506 5.077 50 30 HKEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000006720065 569031068 /nfs/dbraw/zinc/03/10/68/569031068.db2.gz MYIRPXOYKWZIJX-HXUWFJFHSA-N 0 1 407.853 5.020 50 30 HKEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000006720066 569098027 /nfs/dbraw/zinc/09/80/27/569098027.db2.gz MYIRPXOYKWZIJX-FQEVSTJZSA-N 0 1 407.853 5.020 50 30 HKEAMN CCCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccc(N(C)C)cc1 ZINC000006720404 557717320 /nfs/dbraw/zinc/71/73/20/557717320.db2.gz WKDXQQRGQYWYFL-VWLOTQADSA-N 0 1 403.526 5.060 50 30 biogenic HKEAMN CCCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccc(N(C)C)cc1 ZINC000006720405 557717303 /nfs/dbraw/zinc/71/73/03/557717303.db2.gz WKDXQQRGQYWYFL-RUZDIDTESA-N 0 1 403.526 5.060 50 30 biogenic HKEAMN CC(=O)N1c2ccccc2N=C2CCCC(=O)C2[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000006720417 569098116 /nfs/dbraw/zinc/09/81/16/569098116.db2.gz GJMKTOOBWNLURY-NRFANRHFSA-N 0 1 401.293 5.520 50 30 HKEAMN CC(=O)N1c2ccccc2N=C2CCCC(=O)C2[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000006720418 569098189 /nfs/dbraw/zinc/09/81/89/569098189.db2.gz GJMKTOOBWNLURY-OAQYLSRUSA-N 0 1 401.293 5.520 50 30 HKEAMN CCCCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccc(N(C)C)cc1 ZINC000006720421 569098138 /nfs/dbraw/zinc/09/81/38/569098138.db2.gz SUKBELZFYDZOOS-SANMLTNESA-N 0 1 417.553 5.450 50 30 HKEAMN CCCCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccc(N(C)C)cc1 ZINC000006720422 569098118 /nfs/dbraw/zinc/09/81/18/569098118.db2.gz SUKBELZFYDZOOS-AREMUKBSSA-N 0 1 417.553 5.450 50 30 HKEAMN CCCCC(=O)N1c2ccccc2N=C2CCCC(=O)C2[C@@H]1c1ccc(O)c(OC)c1 ZINC000006720425 569098222 /nfs/dbraw/zinc/09/82/22/569098222.db2.gz HGBFJOOKUVMDBN-VWLOTQADSA-N 0 1 420.509 5.098 50 30 HKEAMN CCCCC(=O)N1c2ccccc2N=C2CCCC(=O)C2[C@H]1c1ccc(O)c(OC)c1 ZINC000006720426 569098178 /nfs/dbraw/zinc/09/81/78/569098178.db2.gz HGBFJOOKUVMDBN-RUZDIDTESA-N 0 1 420.509 5.098 50 30 HKEAMN CCN(CC)c1ccc([C@@H]2C3=C(CCCC3=O)Nc3ccccc3N2C(C)=O)cc1 ZINC000006720427 569098172 /nfs/dbraw/zinc/09/81/72/569098172.db2.gz ZNNXNXYUPJVUSW-RUZDIDTESA-N 0 1 403.526 5.060 50 30 HKEAMN CCN(CC)c1ccc([C@H]2C3=C(CCCC3=O)Nc3ccccc3N2C(C)=O)cc1 ZINC000006720428 569098112 /nfs/dbraw/zinc/09/81/12/569098112.db2.gz ZNNXNXYUPJVUSW-VWLOTQADSA-N 0 1 403.526 5.060 50 30 HKEAMN CCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccc(N(CC)CC)cc1 ZINC000006720429 569098148 /nfs/dbraw/zinc/09/81/48/569098148.db2.gz PBKRFPNYVPBRJV-SANMLTNESA-N 0 1 417.553 5.450 50 30 HKEAMN CCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccc(N(CC)CC)cc1 ZINC000006720430 569098297 /nfs/dbraw/zinc/09/82/97/569098297.db2.gz PBKRFPNYVPBRJV-AREMUKBSSA-N 0 1 417.553 5.450 50 30 HKEAMN CCCCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccc(SC)cc1 ZINC000006720447 569098255 /nfs/dbraw/zinc/09/82/55/569098255.db2.gz VGUUXIAFHCSAFD-VWLOTQADSA-N 0 1 420.578 6.106 50 30 HKEAMN CCCCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccc(SC)cc1 ZINC000006720448 569098281 /nfs/dbraw/zinc/09/82/81/569098281.db2.gz VGUUXIAFHCSAFD-RUZDIDTESA-N 0 1 420.578 6.106 50 30 HKEAMN CCCC(=O)N1c2ccccc2N=C2CCCC(=O)C2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000006720451 569098237 /nfs/dbraw/zinc/09/82/37/569098237.db2.gz XAYIIDJUISANFB-VWLOTQADSA-N 0 1 420.509 5.011 50 30 HKEAMN CCCC(=O)N1c2ccccc2N=C2CCCC(=O)C2[C@H]1c1ccc(OC)c(OC)c1 ZINC000006720452 569098291 /nfs/dbraw/zinc/09/82/91/569098291.db2.gz XAYIIDJUISANFB-RUZDIDTESA-N 0 1 420.509 5.011 50 30 HKEAMN CC(C)CN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(C(C)C)cc1 ZINC000006728424 569102277 /nfs/dbraw/zinc/10/22/77/569102277.db2.gz XWBFCJZSHMCDQQ-OAQYLSRUSA-N 0 1 411.929 5.698 50 30 HKEAMN CC(C)CN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(C(C)C)cc1 ZINC000006728426 569102222 /nfs/dbraw/zinc/10/22/22/569102222.db2.gz XWBFCJZSHMCDQQ-NRFANRHFSA-N 0 1 411.929 5.698 50 30 HKEAMN Cc1ccc(-c2[nH]nc3c2[C@@H](c2ccc(Cl)cc2)C2=C(CC(C)(C)CC2=O)N3)cc1 ZINC000006733054 569103706 /nfs/dbraw/zinc/10/37/06/569103706.db2.gz NUDBJPUPNZRIFB-FQEVSTJZSA-N 0 1 417.940 6.239 50 30 HKEAMN Cc1ccc(-c2[nH]nc3c2[C@H](c2ccc(Cl)cc2)C2=C(CC(C)(C)CC2=O)N3)cc1 ZINC000006733055 569103689 /nfs/dbraw/zinc/10/36/89/569103689.db2.gz NUDBJPUPNZRIFB-HXUWFJFHSA-N 0 1 417.940 6.239 50 30 HKEAMN COc1ccc([C@@H]2c3c(n[nH]c3-c3ccc(C)cc3)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000006733056 569103710 /nfs/dbraw/zinc/10/37/10/569103710.db2.gz QSFVTIHJVNXZDR-NRFANRHFSA-N 0 1 413.521 5.594 50 30 HKEAMN COc1ccc([C@H]2c3c(n[nH]c3-c3ccc(C)cc3)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000006733057 569103750 /nfs/dbraw/zinc/10/37/50/569103750.db2.gz QSFVTIHJVNXZDR-OAQYLSRUSA-N 0 1 413.521 5.594 50 30 HKEAMN Cc1ccc(-c2[nH]nc3c2[C@@H](c2ccc(F)cc2)C2=C(CC(C)(C)CC2=O)N3)cc1 ZINC000006733068 569103680 /nfs/dbraw/zinc/10/36/80/569103680.db2.gz OACBTJBMRXQFDU-FQEVSTJZSA-N 0 1 401.485 5.725 50 30 HKEAMN Cc1ccc(-c2[nH]nc3c2[C@H](c2ccc(F)cc2)C2=C(CC(C)(C)CC2=O)N3)cc1 ZINC000006733069 569103722 /nfs/dbraw/zinc/10/37/22/569103722.db2.gz OACBTJBMRXQFDU-HXUWFJFHSA-N 0 1 401.485 5.725 50 30 HKEAMN COc1ccc(-c2[nH]nc3c2[C@@H](c2ccc(C)cc2)C2=C(CC(C)(C)CC2=O)N3)cc1 ZINC000006733073 569103697 /nfs/dbraw/zinc/10/36/97/569103697.db2.gz HVJQCPZCBGMBHY-NRFANRHFSA-N 0 1 413.521 5.594 50 30 HKEAMN COc1ccc(-c2[nH]nc3c2[C@H](c2ccc(C)cc2)C2=C(CC(C)(C)CC2=O)N3)cc1 ZINC000006733074 569103768 /nfs/dbraw/zinc/10/37/68/569103768.db2.gz HVJQCPZCBGMBHY-OAQYLSRUSA-N 0 1 413.521 5.594 50 30 HKEAMN COc1ccc(-c2[nH]nc3c2[C@@H](c2cccs2)C2=C(CC(C)(C)CC2=O)N3)cc1 ZINC000006733082 569103683 /nfs/dbraw/zinc/10/36/83/569103683.db2.gz QHUNFKUZMNDCDT-IBGZPJMESA-N 0 1 405.523 5.347 50 30 HKEAMN COc1ccc(-c2[nH]nc3c2[C@H](c2cccs2)C2=C(CC(C)(C)CC2=O)N3)cc1 ZINC000006733083 569103701 /nfs/dbraw/zinc/10/37/01/569103701.db2.gz QHUNFKUZMNDCDT-LJQANCHMSA-N 0 1 405.523 5.347 50 30 HKEAMN CCc1ccc(-c2[nH]nc3c2[C@@H](c2cccs2)C2=C(CC(C)(C)CC2=O)N3)cc1 ZINC000006733088 569103716 /nfs/dbraw/zinc/10/37/16/569103716.db2.gz UGLUKAJYBYURIA-FQEVSTJZSA-N 0 1 403.551 5.901 50 30 HKEAMN CCc1ccc(-c2[nH]nc3c2[C@H](c2cccs2)C2=C(CC(C)(C)CC2=O)N3)cc1 ZINC000006733089 569103766 /nfs/dbraw/zinc/10/37/66/569103766.db2.gz UGLUKAJYBYURIA-HXUWFJFHSA-N 0 1 403.551 5.901 50 30 HKEAMN CCc1ccc(-c2[nH]nc3c2[C@@H](c2ccc(C)cc2)C2=C(CC(C)(C)CC2=O)N3)cc1 ZINC000006733093 569103752 /nfs/dbraw/zinc/10/37/52/569103752.db2.gz HZNMCMAOFQEXNL-QFIPXVFZSA-N 0 1 411.549 6.148 50 30 HKEAMN CCc1ccc(-c2[nH]nc3c2[C@H](c2ccc(C)cc2)C2=C(CC(C)(C)CC2=O)N3)cc1 ZINC000006733094 569103759 /nfs/dbraw/zinc/10/37/59/569103759.db2.gz HZNMCMAOFQEXNL-JOCHJYFZSA-N 0 1 411.549 6.148 50 30 HKEAMN C[C@@H]1CCC[C@H](Nc2c(-c3ccc(Br)cc3)[nH]c3c(C#N)cnn23)[C@@H]1C ZINC000006768760 569115619 /nfs/dbraw/zinc/11/56/19/569115619.db2.gz XGTILTXDTPIMMX-XNJGSVPQSA-N 0 1 412.335 5.200 50 30 HKEAMN C[C@@H]1CCC[C@@H](Nc2c(-c3ccc(Br)cc3)[nH]c3c(C#N)cnn23)[C@@H]1C ZINC000006768762 569115631 /nfs/dbraw/zinc/11/56/31/569115631.db2.gz XGTILTXDTPIMMX-PBFPGSCMSA-N 0 1 412.335 5.200 50 30 HKEAMN COc1cccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)C(C)C)c1 ZINC000006781612 524174420 /nfs/dbraw/zinc/17/44/20/524174420.db2.gz HHALJFYIHUVBCS-DEOSSOPVSA-N 0 1 418.537 5.494 50 30 HKEAMN COc1cccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)C(C)C)c1 ZINC000006781614 569120364 /nfs/dbraw/zinc/12/03/64/569120364.db2.gz HHALJFYIHUVBCS-XMMPIXPASA-N 0 1 418.537 5.494 50 30 HKEAMN Cc1ccc(COc2ccc(C=Nn3c(=S)[nH]nc3-c3ccccc3)cc2)cc1 ZINC000006922854 569182634 /nfs/dbraw/zinc/18/26/34/569182634.db2.gz HXNTYLHKDGFLMA-BUVRLJJBSA-N 0 1 400.507 5.377 50 30 HKEAMN CC1(C)CC(=O)C2=C(C1)Nc1n[nH]c(-c3ccc(Cl)cc3)c1[C@H]2c1ccccc1 ZINC000006935532 569186227 /nfs/dbraw/zinc/18/62/27/569186227.db2.gz BNVZMQRNINDBRT-IBGZPJMESA-N 0 1 403.913 5.931 50 30 HKEAMN CC1(C)CC(=O)C2=C(C1)Nc1n[nH]c(-c3ccc(Cl)cc3)c1[C@@H]2c1ccccc1 ZINC000006935534 569186222 /nfs/dbraw/zinc/18/62/22/569186222.db2.gz BNVZMQRNINDBRT-LJQANCHMSA-N 0 1 403.913 5.931 50 30 HKEAMN COc1ccccc1[C@@H]1c2c(n[nH]c2-c2ccc(C)cc2)NC2=C1C(=O)CC(C)(C)C2 ZINC000006935544 569186230 /nfs/dbraw/zinc/18/62/30/569186230.db2.gz YOHMFCKRWVOKBH-NRFANRHFSA-N 0 1 413.521 5.594 50 30 HKEAMN COc1ccccc1[C@H]1c2c(n[nH]c2-c2ccc(C)cc2)NC2=C1C(=O)CC(C)(C)C2 ZINC000006935547 524819029 /nfs/dbraw/zinc/81/90/29/524819029.db2.gz YOHMFCKRWVOKBH-OAQYLSRUSA-N 0 1 413.521 5.594 50 30 HKEAMN CCCCCCCCCCCCCCCCO[P@](=O)([O-])OCC[N+](C)(C)C ZINC000008214614 557776084 /nfs/dbraw/zinc/77/60/84/557776084.db2.gz PQLXHQMOHUQAKB-UHFFFAOYSA-O 0 1 408.584 6.308 50 30 fda HKEAMN COc1ccccc1-c1n[nH]c(=S)n1N=Cc1c2ccccc2cc2ccccc21 ZINC000008237834 559032062 /nfs/dbraw/zinc/03/20/62/559032062.db2.gz GMGRBNKNWAMBAZ-MFKUBSTISA-N 0 1 410.502 5.805 50 30 HKEAMN N#Cc1c2c(sc1NC(=O)CSc1nc3ccc(Cl)cc3[nH]1)CCCCC2 ZINC000008395264 568999319 /nfs/dbraw/zinc/99/93/19/568999319.db2.gz CTUYVJRTVIIVPP-UHFFFAOYSA-N 0 1 416.959 5.149 50 30 HKEAMN C=CCOc1c(Br)cc(CN[C@@H](C)c2cccc(F)c2)cc1OCC ZINC000008395698 519004228 /nfs/dbraw/zinc/00/42/28/519004228.db2.gz HWZNJQIGJPBCLQ-AWEZNQCLSA-N 0 1 408.311 5.403 50 30 HKEAMN C=CCOc1c(Br)cc(CN[C@H](C)c2cccc(F)c2)cc1OCC ZINC000008395699 568999609 /nfs/dbraw/zinc/99/96/09/568999609.db2.gz HWZNJQIGJPBCLQ-CQSZACIVSA-N 0 1 408.311 5.403 50 30 HKEAMN O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCC/N=C/c1cc(Cl)cc(Cl)c1O ZINC000008398700 557786515 /nfs/dbraw/zinc/78/65/15/557786515.db2.gz FVKGHHOBSUPQGH-GZIVZEMBSA-N 0 1 422.190 5.157 50 30 HKEAMN Cc1ccc2cc(/N=C\c3cc(Br)cc(Br)c3O)ccc2n1 ZINC000008426875 557788155 /nfs/dbraw/zinc/78/81/55/557788155.db2.gz GFGGCMAFDJJEQX-UKWGHVSLSA-N 0 1 420.104 5.524 50 30 HKEAMN Cc1ccc2nc(CSc3nc(-c4ccco4)cc(C(F)(F)F)c3C#N)[nH]c2c1 ZINC000008442100 569003221 /nfs/dbraw/zinc/00/32/21/569003221.db2.gz CDEFFERWONZFLH-UHFFFAOYSA-N 0 1 414.412 5.709 50 30 HKEAMN CCCCCCCCCCCCCCCCSc1nc(-c2cccc(C)c2)n[nH]1 ZINC000008443722 557789878 /nfs/dbraw/zinc/78/98/78/557789878.db2.gz DCWBLCCNFJMBTQ-UHFFFAOYSA-N 0 1 415.691 8.354 50 30 HKEAMN C(=Nc1ccc(-c2nc3ccc(N=Cc4ccccc4)cc3[nH]2)cc1)c1ccccc1 ZINC000008462667 569004323 /nfs/dbraw/zinc/00/43/23/569004323.db2.gz AXQXABFBLHXYOX-UOSOPFLXSA-N 0 1 400.485 6.731 50 30 HKEAMN N#Cc1c(=O)[nH]c(-c2cccc(C(F)(F)F)c2)cc1-c1ccc(Cl)cc1Cl ZINC000008733591 571109395 /nfs/dbraw/zinc/10/93/95/571109395.db2.gz NHKODTRQXZQART-UHFFFAOYSA-N 0 1 409.194 5.906 50 30 HKEAMN C=C(C)COc1ccc(-c2[nH]nc(C(F)(F)F)c2-c2ccc(Cl)cc2)c(O)c1 ZINC000008740787 568983540 /nfs/dbraw/zinc/98/35/40/568983540.db2.gz ZLMTXGFCHVKPIE-UHFFFAOYSA-N 0 1 408.807 6.076 50 30 HKEAMN O=C1c2ccccc2C2=C1C(c1ccccc1F)N=C(SCc1ccc(F)cc1)N2 ZINC000008781825 571119287 /nfs/dbraw/zinc/11/92/87/571119287.db2.gz NVNUHXWCIMNDGB-QFIPXVFZSA-N 0 1 418.468 5.506 50 30 HKEAMN O=C(Nc1ccc(F)cc1)C(N=Nc1cccc(C(F)(F)F)c1)C(=O)C(F)(F)F ZINC000008873042 569390725 /nfs/dbraw/zinc/39/07/25/569390725.db2.gz APFSBSFSPXELFN-UVHMKAGCSA-N 0 1 421.272 5.032 50 30 HKEAMN N#Cc1c(=O)[nH]c(-c2ccc(Cl)c(Cl)c2)cc1-c1ccccc1C(F)(F)F ZINC000008873828 569390730 /nfs/dbraw/zinc/39/07/30/569390730.db2.gz GCCXWKPGVBJQIZ-UHFFFAOYSA-N 0 1 409.194 6.318 50 30 HKEAMN COc1cc([N+](=O)[O-])cc(/C=N/c2ccc3oc(-c4cccc(Cl)c4)nc3c2)c1O ZINC000008935100 571163682 /nfs/dbraw/zinc/16/36/82/571163682.db2.gz UGHMUSWIVOVFPD-FOKLQQMPSA-N 0 1 423.812 5.521 50 30 HKEAMN C=C(C)COc1ccc(-c2[nH]nc(C(F)(F)F)c2-c2ccc(OC)cc2)c(O)c1 ZINC000008973292 571197524 /nfs/dbraw/zinc/19/75/24/571197524.db2.gz LIFGGMHVPVQMLE-UHFFFAOYSA-N 0 1 404.388 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HKEAMN CCN(CC)c1ccc(C=Nn2c(=S)[nH]nc2-c2cccc(OC(C)C)c2)cc1 ZINC000009111617 557824207 /nfs/dbraw/zinc/82/42/07/557824207.db2.gz XQRSZUOSRBDJFL-HZHRSRAPSA-N 0 1 409.559 5.123 50 30 HKEAMN Cc1ccc([C@@H]2c3c(n[nH]c3-c3ccc(Cl)cc3)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000009152904 571231141 /nfs/dbraw/zinc/23/11/41/571231141.db2.gz HFHWEFDKHQVCIC-FQEVSTJZSA-N 0 1 417.940 6.239 50 30 HKEAMN Cc1ccc([C@H]2c3c(n[nH]c3-c3ccc(Cl)cc3)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000009152905 571231133 /nfs/dbraw/zinc/23/11/33/571231133.db2.gz HFHWEFDKHQVCIC-HXUWFJFHSA-N 0 1 417.940 6.239 50 30 HKEAMN COc1ccc(-c2[nH]nc3c2[C@@H](c2ccc(F)cc2)C2=C(CC(C)(C)CC2=O)N3)cc1 ZINC000009152910 571231148 /nfs/dbraw/zinc/23/11/48/571231148.db2.gz RZBGTNCSCVKTRI-FQEVSTJZSA-N 0 1 417.484 5.425 50 30 HKEAMN COc1ccc(-c2[nH]nc3c2[C@H](c2ccc(F)cc2)C2=C(CC(C)(C)CC2=O)N3)cc1 ZINC000009152911 571231156 /nfs/dbraw/zinc/23/11/56/571231156.db2.gz RZBGTNCSCVKTRI-HXUWFJFHSA-N 0 1 417.484 5.425 50 30 HKEAMN Cc1ccc(C(=O)N2c3ccccc3NC3=C(C(=O)CCC3)[C@@H]2c2ccccc2)cc1 ZINC000009264154 557833607 /nfs/dbraw/zinc/83/36/07/557833607.db2.gz SXBIGKKJDZZEBM-SANMLTNESA-N 0 1 408.501 5.816 50 30 HKEAMN Cc1ccc(C(=O)N2c3ccccc3NC3=C(C(=O)CCC3)[C@H]2c2ccccc2)cc1 ZINC000009264155 557833652 /nfs/dbraw/zinc/83/36/52/557833652.db2.gz SXBIGKKJDZZEBM-AREMUKBSSA-N 0 1 408.501 5.816 50 30 HKEAMN COc1ccc(C(=O)N2c3ccccc3NC3=C(C(=O)CCC3)[C@@H]2c2ccccc2)cc1 ZINC000009264156 557833632 /nfs/dbraw/zinc/83/36/32/557833632.db2.gz ZEVHKAABLOYYHI-SANMLTNESA-N 0 1 424.500 5.516 50 30 HKEAMN COc1ccc(C(=O)N2c3ccccc3NC3=C(C(=O)CCC3)[C@H]2c2ccccc2)cc1 ZINC000009264157 557833602 /nfs/dbraw/zinc/83/36/02/557833602.db2.gz ZEVHKAABLOYYHI-AREMUKBSSA-N 0 1 424.500 5.516 50 30 HKEAMN O=C(C1CCCCC1)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccccc1 ZINC000009264160 557833665 /nfs/dbraw/zinc/83/36/65/557833665.db2.gz JYJPMXIAUVFUQV-RUZDIDTESA-N 0 1 400.522 5.774 50 30 HKEAMN O=C(C1CCCCC1)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccccc1 ZINC000009264161 557833679 /nfs/dbraw/zinc/83/36/79/557833679.db2.gz JYJPMXIAUVFUQV-VWLOTQADSA-N 0 1 400.522 5.774 50 30 HKEAMN O=C(Cc1cccs1)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccccc1 ZINC000009264162 557833614 /nfs/dbraw/zinc/83/36/14/557833614.db2.gz XYVMHIKSLVJXIP-RUZDIDTESA-N 0 1 414.530 5.498 50 30 HKEAMN O=C(Cc1cccs1)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccccc1 ZINC000009264163 557833619 /nfs/dbraw/zinc/83/36/19/557833619.db2.gz XYVMHIKSLVJXIP-VWLOTQADSA-N 0 1 414.530 5.498 50 30 HKEAMN O=C(NC1CCCCC1)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccccc1 ZINC000009264170 527514044 /nfs/dbraw/zinc/51/40/44/527514044.db2.gz HZNJNWZJSAXXQD-RUZDIDTESA-N 0 1 415.537 5.709 50 30 HKEAMN O=C(NC1CCCCC1)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccccc1 ZINC000009264171 557833813 /nfs/dbraw/zinc/83/38/13/557833813.db2.gz HZNJNWZJSAXXQD-VWLOTQADSA-N 0 1 415.537 5.709 50 30 HKEAMN O=C(Nc1ccccc1)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccccc1 ZINC000009264172 557833833 /nfs/dbraw/zinc/83/38/33/557833833.db2.gz IIZZODVSJQGBBC-RUZDIDTESA-N 0 1 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/nfs/dbraw/zinc/25/87/05/571258705.db2.gz VKHTXXFOKMHCOM-DNTJNYDQSA-N 0 1 416.102 5.561 50 30 HKEAMN COc1ccc2cc(C=NN=c3nc[nH]c4sc5c(c43)CCCC5)c(Cl)nc2c1 ZINC000009501502 571263413 /nfs/dbraw/zinc/26/34/13/571263413.db2.gz KWCWKOSAFYLWFB-KIBLKLHPSA-N 0 1 423.929 5.226 50 30 HKEAMN COc1ccc2cc(C=NNc3ncnc4sc5c(c43)CCCC5)c(Cl)nc2c1 ZINC000009501502 571263414 /nfs/dbraw/zinc/26/34/14/571263414.db2.gz KWCWKOSAFYLWFB-KIBLKLHPSA-N 0 1 423.929 5.226 50 30 HKEAMN CCOc1ccccc1/C=C1\Oc2c(ccc([O-])c2C[N@@H+](C)Cc2ccccc2)C1=O ZINC000009575325 571269582 /nfs/dbraw/zinc/26/95/82/571269582.db2.gz RPGXWUYYCREGBW-IWIPYMOSSA-N 0 1 415.489 5.039 50 30 HKEAMN CC1(C)CC(=O)C2=C(C1)Nc1n[nH]c(-c3ccccc3)c1[C@H]2c1ccccc1Cl ZINC000009597383 520260701 /nfs/dbraw/zinc/26/07/01/520260701.db2.gz LANJVUKWSKLKHP-IBGZPJMESA-N 0 1 403.913 5.931 50 30 HKEAMN CC1(C)CC(=O)C2=C(C1)Nc1n[nH]c(-c3ccccc3)c1[C@@H]2c1ccccc1Cl ZINC000009597384 571272540 /nfs/dbraw/zinc/27/25/40/571272540.db2.gz LANJVUKWSKLKHP-LJQANCHMSA-N 0 1 403.913 5.931 50 30 HKEAMN CCCCSc1nc2n(n1)[C@H](c1ccccc1Cl)C1=C(CC(C)(C)CC1=O)N2 ZINC000009597534 571272514 /nfs/dbraw/zinc/27/25/14/571272514.db2.gz HVFIQVYXPOZRNR-GOSISDBHSA-N 0 1 416.978 5.482 50 30 HKEAMN CCCCSc1nc2n(n1)[C@@H](c1ccccc1Cl)C1=C(CC(C)(C)CC1=O)N2 ZINC000009597535 571272533 /nfs/dbraw/zinc/27/25/33/571272533.db2.gz HVFIQVYXPOZRNR-SFHVURJKSA-N 0 1 416.978 5.482 50 30 HKEAMN Cn1c2ccccc2nc1C(C#N)C(=O)c1ccc(-c2nc3ccccc3s2)s1 ZINC000009631151 571274622 /nfs/dbraw/zinc/27/46/22/571274622.db2.gz RUFCDEOQWGOUPO-CYBMUJFWSA-N 0 1 414.515 5.402 50 30 HKEAMN O=[N+]([O-])c1ccc(NCC/N=C/c2cc(Cl)cc(Cl)c2O)c(C(F)(F)F)c1 ZINC000009721047 571281810 /nfs/dbraw/zinc/28/18/10/571281810.db2.gz JKJJJEOKVBQOAR-GZIVZEMBSA-N 0 1 422.190 5.157 50 30 HKEAMN Brc1ccc(COc2cccc(CN=Nc3nc4ccccc4[nH]3)c2)cc1 ZINC000009763699 557849557 /nfs/dbraw/zinc/84/95/57/557849557.db2.gz AVAAFPXUXFMFJI-YDZHTSKRSA-N 0 1 421.298 5.350 50 30 HKEAMN COc1ccccc1[C@@H]1C2C(=O)CCCC2=Nc2ccccc2N1C(=O)c1ccccc1 ZINC000009861349 571288705 /nfs/dbraw/zinc/28/87/05/571288705.db2.gz HTBUVMLTUBEVTR-AREMUKBSSA-N 0 1 424.500 5.516 50 30 HKEAMN COc1ccccc1[C@H]1C2C(=O)CCCC2=Nc2ccccc2N1C(=O)c1ccccc1 ZINC000009861350 571288735 /nfs/dbraw/zinc/28/87/35/571288735.db2.gz HTBUVMLTUBEVTR-SANMLTNESA-N 0 1 424.500 5.516 50 30 HKEAMN Oc1ccc2ccccc2c1/C=N\N1CCN(C2c3ccccc3-c3ccccc32)CC1 ZINC000012360342 558386847 /nfs/dbraw/zinc/38/68/47/558386847.db2.gz JHSXJPYGYWOSBK-CEUNXORHSA-N 0 1 419.528 5.267 50 30 HKEAMN C/C(=N\N1CCN(C2c3ccccc3-c3ccccc32)CC1)c1ccc2ccccc2c1 ZINC000012362242 558387131 /nfs/dbraw/zinc/38/71/31/558387131.db2.gz NAHGGULQIGPSGW-MWAVMZGNSA-N 0 1 417.556 5.951 50 30 HKEAMN CC(=NNc1c(Cl)cc(Cl)cc1Cl)c1sc2ccc(Cl)cc2c1C ZINC000012367550 558388702 /nfs/dbraw/zinc/38/87/02/558388702.db2.gz WXGAGGWDGIAHJV-AFPJDJCSSA-N 0 1 418.176 7.659 50 30 HKEAMN Cc1c(C#N)c(Sc2nc(-c3cc(Cl)cc(Cl)c3)n[nH]2)nc2ccccc12 ZINC000012370043 569400376 /nfs/dbraw/zinc/40/03/76/569400376.db2.gz MSIXGWWBTKPBSJ-UHFFFAOYSA-N 0 1 412.305 5.658 50 30 HKEAMN O=C(c1ccco1)N1c2ccccc2N=C2CCCC(=O)C2[C@@H]1c1ccc(Cl)cc1 ZINC000012652135 558443978 /nfs/dbraw/zinc/44/39/78/558443978.db2.gz TUNZEGFDZSCUPR-QHCPKHFHSA-N 0 1 418.880 5.754 50 30 HKEAMN O=C(c1ccco1)N1c2ccccc2N=C2CCCC(=O)C2[C@H]1c1ccc(Cl)cc1 ZINC000012652137 558443984 /nfs/dbraw/zinc/44/39/84/558443984.db2.gz TUNZEGFDZSCUPR-HSZRJFAPSA-N 0 1 418.880 5.754 50 30 HKEAMN CCCNC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000012652145 558443961 /nfs/dbraw/zinc/44/39/61/558443961.db2.gz BKIXCRGAMAEBMR-QFIPXVFZSA-N 0 1 409.917 5.440 50 30 HKEAMN CCCNC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccc(Cl)cc1 ZINC000012652147 558443954 /nfs/dbraw/zinc/44/39/54/558443954.db2.gz BKIXCRGAMAEBMR-JOCHJYFZSA-N 0 1 409.917 5.440 50 30 HKEAMN Cc1cccc(CC2S/C(=N\N=C\c3ccc(-c4ccc(Cl)cc4)o3)NC2=O)c1 ZINC000012843861 568994115 /nfs/dbraw/zinc/99/41/15/568994115.db2.gz YYWTYNQDBUNMIJ-FINLKQIMSA-N 0 1 423.925 5.073 50 30 HKEAMN O=C1c2ccccc2C2=C1C(c1ccccc1F)N=C(SCc1ccc(F)cc1)N2 ZINC000012959156 569405377 /nfs/dbraw/zinc/40/53/77/569405377.db2.gz NVNUHXWCIMNDGB-JOCHJYFZSA-N 0 1 418.468 5.506 50 30 HKEAMN Oc1c(Br)cc(Br)cc1/C=N/c1cccc2ncccc12 ZINC000013125946 558518551 /nfs/dbraw/zinc/51/85/51/558518551.db2.gz YYVFNCNQIMUTPA-AWQFTUOYSA-N 0 1 406.077 5.216 50 30 HKEAMN Cn1c2ccccc2nc1C(C#N)C(=O)c1ccc(-c2nc3ccccc3s2)s1 ZINC000013282757 558528925 /nfs/dbraw/zinc/52/89/25/558528925.db2.gz RUFCDEOQWGOUPO-ZDUSSCGKSA-N 0 1 414.515 5.402 50 30 HKEAMN O=C1c2ccccc2C(=O)N1c1ccccc1/N=C\c1cc(Cl)cc(Cl)c1O ZINC000013468511 558533533 /nfs/dbraw/zinc/53/35/33/558533533.db2.gz UAGLUMIEGUNUCD-MYKKPKGFSA-N 0 1 411.244 5.250 50 30 HKEAMN COc1cc([N+](=O)[O-])cc(/C=N/c2ccc3oc(-c4cccc(C)c4)nc3c2)c1O ZINC000013476658 558534153 /nfs/dbraw/zinc/53/41/53/558534153.db2.gz LZZOCXRNYVUYKS-FSJBWODESA-N 0 1 403.394 5.176 50 30 HKEAMN COc1cc([N+](=O)[O-])cc(/C=N/c2ccc3oc(-c4ccccc4C)nc3c2)c1O ZINC000013476675 558620198 /nfs/dbraw/zinc/62/01/98/558620198.db2.gz KBSVCPSMYQIVGM-FSJBWODESA-N 0 1 403.394 5.176 50 30 HKEAMN N#Cc1c2c(c(NC3CCCCC3)nc1N1CCCCC1)CN(C1CCCCC1)CC2 ZINC000013511266 558835119 /nfs/dbraw/zinc/83/51/19/558835119.db2.gz MBPDMPQGMKKBDF-UHFFFAOYSA-N 0 1 421.633 5.379 50 30 HKEAMN CCN(CC)c1ccc(CN=Nc2nc(-c3ccc(C)cc3)c(NC(C)=O)s2)cc1 ZINC000013548934 558538536 /nfs/dbraw/zinc/53/85/36/558538536.db2.gz SHAOANQVYWOLSZ-BUVRLJJBSA-N 0 1 421.570 5.369 50 30 HKEAMN COc1cc([N+](=O)[O-])cc(/C=N/c2ccc(Cl)c(-c3nc4ccccc4o3)c2)c1O ZINC000013549308 558843284 /nfs/dbraw/zinc/84/32/84/558843284.db2.gz JCYPAOWAGIFTAP-FOKLQQMPSA-N 0 1 423.812 5.521 50 30 HKEAMN N#Cc1c2c(c(N3CCCCC3)nc1NC1CCCCC1)CN(C1CCCCC1)CC2 ZINC000013564605 558843654 /nfs/dbraw/zinc/84/36/54/558843654.db2.gz DAZXNUOSUPVSKM-UHFFFAOYSA-N 0 1 421.633 5.379 50 30 HKEAMN CC1S/C(=N\N=C\c2cccc3ccccc23)N(Cc2cccc3ccccc32)C1=O ZINC000013596377 558547158 /nfs/dbraw/zinc/54/71/58/558547158.db2.gz JUTYACOWFIRTEB-ZSIROEOLSA-N 0 1 423.541 5.847 50 30 HKEAMN O=C(Nc1cc(Cl)ccc1Cl)C(N=Nc1ccccc1)C(=O)c1ccccc1 ZINC000013601781 558547823 /nfs/dbraw/zinc/54/78/23/558547823.db2.gz KYFHFSDDSSLPNX-XHPQRKPJSA-N 0 1 412.276 5.283 50 30 HKEAMN Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1/N=C/c1cc([N+](=O)[O-])cc(C)c1O ZINC000013601815 558547796 /nfs/dbraw/zinc/54/77/96/558547796.db2.gz OHKYACABFVEKIS-BHGWPJFGSA-N 0 1 421.840 6.129 50 30 HKEAMN Cc1cc([O-])c(C[N@@H+]2C[C@H](C)C[C@H](C)C2)c2c1C(=O)/C(=C/c1cc3ccccc3o1)O2 ZINC000013654049 558851145 /nfs/dbraw/zinc/85/11/45/558851145.db2.gz YUNMJVNLVISFQA-IHBCXDABSA-N 0 1 417.505 5.541 50 30 HKEAMN C[C@@H]1C[C@H](C)C[N@H+](Cc2c3c(ccc2[O-])C(=O)/C(=C/c2cc4ccccc4o2)O3)C1 ZINC000013654582 558851077 /nfs/dbraw/zinc/85/10/77/558851077.db2.gz IMNSCRNQWOBIAR-IHBCXDABSA-N 0 1 403.478 5.233 50 30 HKEAMN C[C@@H]1C[C@H](C)C[N@H+](Cc2c3c(ccc2[O-])C(=O)/C(=C/c2c(F)cccc2Cl)O3)C1 ZINC000013681363 558854620 /nfs/dbraw/zinc/85/46/20/558854620.db2.gz CJXWUSFJAOKMRV-YHRJSEKKSA-N 0 1 415.892 5.279 50 30 HKEAMN CCCC[N@@H+](C)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccc(Cl)cc1Cl)O2 ZINC000013682070 558567208 /nfs/dbraw/zinc/56/72/08/558567208.db2.gz DXPPAEMYKRCBQW-GRSHGNNSSA-N 0 1 406.309 5.547 50 30 HKEAMN Fc1ccccc1Oc1ccc2ccccc2c1C=NNc1nc2ccccc2s1 ZINC000013856412 558598503 /nfs/dbraw/zinc/59/85/03/558598503.db2.gz WYANIMYPRXVFEQ-CVKSISIWSA-N 0 1 413.477 6.827 50 30 HKEAMN CCOc1ccc(/N=C/c2c(O)c(C(=O)Nc3ccccc3C)cc3ccccc32)cc1 ZINC000013895322 558600256 /nfs/dbraw/zinc/60/02/56/558600256.db2.gz LEWDVCMVPNZOIM-OGLMXYFKSA-N 0 1 424.500 6.255 50 30 HKEAMN Cc1cc2nc(-c3ccc(C)c(/N=C/c4cc([N+](=O)[O-])cc(C)c4O)c3)oc2c(C)c1 ZINC000013942242 558604912 /nfs/dbraw/zinc/60/49/12/558604912.db2.gz FGUICYOINZHLQU-BRJLIKDPSA-N 0 1 415.449 6.093 50 30 HKEAMN C=CCn1c(SCC2CCCCC2)nnc1C1CCN(Cc2ccoc2)CC1 ZINC000014878603 569003782 /nfs/dbraw/zinc/00/37/82/569003782.db2.gz IGVXCPHTXPSJSL-UHFFFAOYSA-N 0 1 400.592 5.109 50 30 HKEAMN Cc1c([C@@H](C)NCc2ccc(C#CC(C)(C)O)cc2)cnn1-c1cccc2ccccc21 ZINC000014969769 569004250 /nfs/dbraw/zinc/00/42/50/569004250.db2.gz IDMJAKZYPCPZPL-HXUWFJFHSA-N 0 1 423.560 5.307 50 30 HKEAMN Cc1c([C@H](C)NCc2ccc(C#CC(C)(C)O)cc2)cnn1-c1cccc2ccccc21 ZINC000014969771 569004134 /nfs/dbraw/zinc/00/41/34/569004134.db2.gz IDMJAKZYPCPZPL-FQEVSTJZSA-N 0 1 423.560 5.307 50 30 HKEAMN C=CCn1c(SCC2CCCCC2)nnc1C1CCN(Cc2ccco2)CC1 ZINC000015005459 569004219 /nfs/dbraw/zinc/00/42/19/569004219.db2.gz OUARWSMECDFIAK-UHFFFAOYSA-N 0 1 400.592 5.109 50 30 HKEAMN CCc1ccc2oc(-c3cc(/N=C\c4ccc(Cl)cc4Cl)ccc3O)nc2c1 ZINC000015134320 568775109 /nfs/dbraw/zinc/77/51/09/568775109.db2.gz FKCYJNFIZHYLSO-ROTLSHHCSA-N 0 1 411.288 6.820 50 30 HKEAMN Cc1cc(C=NNc2nc3ccccc3s2)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000015224578 526095740 /nfs/dbraw/zinc/09/57/40/526095740.db2.gz LFSRLZQTXGMGOR-FOKLQQMPSA-N 0 1 415.349 6.457 50 30 HKEAMN Cc1cccc(CC2S/C(=N\N=C\c3ccc(-c4ccc(Cl)cc4)o3)NC2=O)c1 ZINC000015685888 559061549 /nfs/dbraw/zinc/06/15/49/559061549.db2.gz YYWTYNQDBUNMIJ-AFEQLLIESA-N 0 1 423.925 5.073 50 30 HKEAMN CC1(C)C(=S)N(c2ccccc2)/C(=N/C23CC4CC(CC(C4)C2)C3)[C@@H]1N1CCCC1 ZINC000015861647 569015622 /nfs/dbraw/zinc/01/56/22/569015622.db2.gz JMIDMHRHGOPQOA-HTAMCLIASA-N 0 1 421.654 5.692 50 30 HKEAMN CC1(C)C(=S)N(c2ccccc2)/C(=N/C23CC4CC(CC(C4)C2)C3)[C@H]1N1CCCC1 ZINC000015861648 569015559 /nfs/dbraw/zinc/01/55/59/569015559.db2.gz JMIDMHRHGOPQOA-CYSAALDASA-N 0 1 421.654 5.692 50 30 HKEAMN CC1(C)C(=S)N(c2ccc(C#N)cc2)/C(=N/C2CCCCC2)[C@@H]1N1CCCCC1 ZINC000015861685 569015594 /nfs/dbraw/zinc/01/55/94/569015594.db2.gz QPIQLOMAXGSOGW-XIPYDIPCSA-N 0 1 408.615 5.318 50 30 HKEAMN CC1(C)C(=S)N(c2ccc(C#N)cc2)/C(=N/C2CCCCC2)[C@H]1N1CCCCC1 ZINC000015861686 569015564 /nfs/dbraw/zinc/01/55/64/569015564.db2.gz QPIQLOMAXGSOGW-PCOHFRABSA-N 0 1 408.615 5.318 50 30 HKEAMN CC(=O)Nc1ccc(/N=C/c2c(O)c(C(=O)Nc3ccccc3)cc3ccccc32)cc1 ZINC000015962740 569024888 /nfs/dbraw/zinc/02/48/88/569024888.db2.gz MUWJDZHXKYTBCX-JVWAILMASA-N 0 1 423.472 5.507 50 30 HKEAMN Cc1ccc(N=C(NN=Cc2ccc(N(C)C)cc2)c2nc3ccccc3s2)cc1 ZINC000016192495 558777104 /nfs/dbraw/zinc/77/71/04/558777104.db2.gz MGMBVZZSQUNDJC-PCLIKHOPSA-N 0 1 413.550 5.564 50 30 HKEAMN Clc1ccc(Nc2nnc(NN=Cc3ccccc3Cl)c3ccccc32)cc1 ZINC000016449058 558791937 /nfs/dbraw/zinc/79/19/37/558791937.db2.gz FUIHWCACFWVEID-ZMOGYAJESA-N 0 1 408.292 6.126 50 30 HKEAMN O=C1c2ccccc2S/C1=C/c1cc(Br)cc(Br)c1O ZINC000016524244 569058555 /nfs/dbraw/zinc/05/85/55/569058555.db2.gz KGCDNURBZSYZIO-AWNIVKPZSA-N 0 1 412.102 5.247 50 30 HKEAMN COc1cc(CN=Nc2c(Cl)cc(Cl)cc2Cl)cc(Br)c1O ZINC000016671937 558798648 /nfs/dbraw/zinc/79/86/48/558798648.db2.gz NOFWFOSFABUOAK-KPSZGOFPSA-N 0 1 424.509 5.570 50 30 HKEAMN Fc1ccccc1C=NNc1nc(-c2ccc(Br)cc2)nc2ccccc21 ZINC000016677514 558798978 /nfs/dbraw/zinc/79/89/78/558798978.db2.gz INIDIEMBPQJTJG-ZMOGYAJESA-N 0 1 421.273 5.644 50 30 HKEAMN O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1cccc2ccccc21)c1ccccc1 ZINC000016731632 558802206 /nfs/dbraw/zinc/80/22/06/558802206.db2.gz DYYSQSFWBZGBBP-XMMPIXPASA-N 0 1 420.468 5.013 50 30 HKEAMN O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1cccc2ccccc21)c1ccccc1 ZINC000016731635 558802153 /nfs/dbraw/zinc/80/21/53/558802153.db2.gz DYYSQSFWBZGBBP-DEOSSOPVSA-N 0 1 420.468 5.013 50 30 HKEAMN O=C(C=Cc1ccccc1)C1C(=O)C(=O)N(Cc2ccco2)[C@@H]1c1cccc(Cl)c1 ZINC000016736696 558802809 /nfs/dbraw/zinc/80/28/09/558802809.db2.gz NFSBEGUMUMWDMQ-VDZCTEQFSA-N 0 1 419.864 5.111 50 30 HKEAMN O=C(C=Cc1ccccc1)C1C(=O)C(=O)N(Cc2ccco2)[C@H]1c1cccc(Cl)c1 ZINC000016736698 527630245 /nfs/dbraw/zinc/63/02/45/527630245.db2.gz NFSBEGUMUMWDMQ-LEQVUBRHSA-N 0 1 419.864 5.111 50 30 HKEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC=C)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000016741348 558803561 /nfs/dbraw/zinc/80/35/61/558803561.db2.gz CHFNILJMRIFTAF-QHCPKHFHSA-N 0 1 417.505 5.139 50 30 HKEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC=C)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000016741349 558803546 /nfs/dbraw/zinc/80/35/46/558803546.db2.gz CHFNILJMRIFTAF-HSZRJFAPSA-N 0 1 417.505 5.139 50 30 HKEAMN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000016741707 558803724 /nfs/dbraw/zinc/80/37/24/558803724.db2.gz WMUZCLWYCGAEBO-OAQYLSRUSA-N 0 1 407.510 5.029 50 30 HKEAMN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000016741708 558803706 /nfs/dbraw/zinc/80/37/06/558803706.db2.gz WMUZCLWYCGAEBO-NRFANRHFSA-N 0 1 407.510 5.029 50 30 HKEAMN Fc1ccccc1-c1n[nH]c(=S)n1N=Cc1cccc(OCc2ccccc2)c1 ZINC000017016532 569005127 /nfs/dbraw/zinc/00/51/27/569005127.db2.gz FJMIHJQVMYECOJ-ZVHZXABRSA-N 0 1 404.470 5.208 50 30 HKEAMN Cc1ccc2nc(-c3ccc(/N=C/c4cc(Br)ccc4O)cc3O)oc2c1 ZINC000017201706 558825702 /nfs/dbraw/zinc/82/57/02/558825702.db2.gz LTSUKKPIHUMEGG-FOKLQQMPSA-N 0 1 423.266 5.728 50 30 HKEAMN Cc1ccccc1NC(=O)c1cc2ccccc2c(/C=N\c2ccccc2Cl)c1O ZINC000017241934 558826073 /nfs/dbraw/zinc/82/60/73/558826073.db2.gz QUNIAGQZWWNOOV-DICXZTSXSA-N 0 1 414.892 6.510 50 30 HKEAMN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@H]2c1cc([N+](=O)[O-])ccc1O ZINC000018033658 560772924 /nfs/dbraw/zinc/77/29/24/560772924.db2.gz PGOFXCMLMHGXNF-IBGZPJMESA-N 0 1 416.433 5.078 50 30 HKEAMN Cc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N4C(=O)c5ccccc5[C@H]34)C2)cc1 ZINC000018105825 558831244 /nfs/dbraw/zinc/83/12/44/558831244.db2.gz CYVRRLJXBWTENM-HFJWLAOPSA-N 0 1 406.485 5.523 50 30 HKEAMN Cc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N4C(=O)c5ccccc5[C@H]34)C2)cc1 ZINC000018105828 558831238 /nfs/dbraw/zinc/83/12/38/558831238.db2.gz CYVRRLJXBWTENM-WXTAPIANSA-N 0 1 406.485 5.523 50 30 HKEAMN Cc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N4C(=O)c5ccccc5[C@@H]34)C2)cc1 ZINC000018105830 558831254 /nfs/dbraw/zinc/83/12/54/558831254.db2.gz CYVRRLJXBWTENM-QYBDOPJKSA-N 0 1 406.485 5.523 50 30 HKEAMN Cc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N4C(=O)c5ccccc5[C@@H]34)C2)cc1 ZINC000018105834 558831279 /nfs/dbraw/zinc/83/12/79/558831279.db2.gz CYVRRLJXBWTENM-DWXRJYCRSA-N 0 1 406.485 5.523 50 30 HKEAMN CC(C)C(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@@H]1c1ccc(F)cc1 ZINC000018107278 558831256 /nfs/dbraw/zinc/83/12/56/558831256.db2.gz ABWHUOXUEIYYQX-QHCPKHFHSA-N 0 1 406.501 5.625 50 30 HKEAMN CC(C)C(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@H]1c1ccc(F)cc1 ZINC000018107281 558831250 /nfs/dbraw/zinc/83/12/50/558831250.db2.gz ABWHUOXUEIYYQX-HSZRJFAPSA-N 0 1 406.501 5.625 50 30 HKEAMN O=C(c1ccccc1)c1ccc2c(c1)N=C1CCCC(=O)C1[C@H]1c3ccccc3C(=O)N21 ZINC000018115562 558831340 /nfs/dbraw/zinc/83/13/40/558831340.db2.gz HOOKLAXOOQWMKB-RUZDIDTESA-N 0 1 420.468 5.052 50 30 HKEAMN O=C(c1ccccc1)c1ccc2c(c1)N=C1CCCC(=O)C1[C@@H]1c3ccccc3C(=O)N21 ZINC000018115564 558831368 /nfs/dbraw/zinc/83/13/68/558831368.db2.gz HOOKLAXOOQWMKB-VWLOTQADSA-N 0 1 420.468 5.052 50 30 HKEAMN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@@H]2c1cc([N+](=O)[O-])ccc1O ZINC000018116121 560776181 /nfs/dbraw/zinc/77/61/81/560776181.db2.gz PGOFXCMLMHGXNF-LJQANCHMSA-N 0 1 416.433 5.078 50 30 HKEAMN CC(C)C(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@@H]1c1cccc(Cl)c1 ZINC000018143757 558832120 /nfs/dbraw/zinc/83/21/20/558832120.db2.gz WKVGFSDIAPXUEL-QHCPKHFHSA-N 0 1 422.956 6.139 50 30 HKEAMN CC(C)C(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@H]1c1cccc(Cl)c1 ZINC000018143760 558832079 /nfs/dbraw/zinc/83/20/79/558832079.db2.gz WKVGFSDIAPXUEL-HSZRJFAPSA-N 0 1 422.956 6.139 50 30 HKEAMN CCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@@H]1c1ccccc1OC ZINC000018166936 521166375 /nfs/dbraw/zinc/16/63/75/521166375.db2.gz ABFQSPBPSJORQW-DEOSSOPVSA-N 0 1 404.510 5.248 50 30 HKEAMN CCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@H]1c1ccccc1OC ZINC000018166938 558832608 /nfs/dbraw/zinc/83/26/08/558832608.db2.gz ABFQSPBPSJORQW-XMMPIXPASA-N 0 1 404.510 5.248 50 30 HKEAMN O=C1C[C@H](c2cccs2)CC2=C1[C@@H](c1c(Cl)cccc1Cl)n1ncnc1N2 ZINC000018196292 560782491 /nfs/dbraw/zinc/78/24/91/560782491.db2.gz RHXYBJSTRBUQKK-MLCYQJTMSA-N 0 1 417.321 5.062 50 30 HKEAMN O=C1C[C@H](c2cccs2)CC2=C1[C@H](c1c(Cl)cccc1Cl)n1ncnc1N2 ZINC000018196294 560782486 /nfs/dbraw/zinc/78/24/86/560782486.db2.gz RHXYBJSTRBUQKK-MGNBDDOMSA-N 0 1 417.321 5.062 50 30 HKEAMN O=C1C[C@@H](c2cccs2)CC2=C1[C@@H](c1c(Cl)cccc1Cl)n1ncnc1N2 ZINC000018196295 527024183 /nfs/dbraw/zinc/02/41/83/527024183.db2.gz RHXYBJSTRBUQKK-XTZNXHDOSA-N 0 1 417.321 5.062 50 30 HKEAMN O=C1C[C@@H](c2cccs2)CC2=C1[C@H](c1c(Cl)cccc1Cl)n1ncnc1N2 ZINC000018196297 560782451 /nfs/dbraw/zinc/78/24/51/560782451.db2.gz RHXYBJSTRBUQKK-YPMLDQLKSA-N 0 1 417.321 5.062 50 30 HKEAMN C=CCc1cccc([C@@H]2CC(c3c(O)cc(C)oc3=O)=Nc3ccccc3S2)c1O ZINC000018208496 560784393 /nfs/dbraw/zinc/78/43/93/560784393.db2.gz LWQZPGDPEFRSMA-NRFANRHFSA-N 0 1 419.502 5.446 50 30 biogenic HKEAMN O=C1c2ccccc2C2=C1C(c1cc([N+](=O)[O-])ccc1Cl)Sc1ccccc1N2 ZINC000018219565 558833998 /nfs/dbraw/zinc/83/39/98/558833998.db2.gz LGBJBVURTHENNC-QFIPXVFZSA-N 0 1 420.877 6.115 50 30 HKEAMN O=C1c2ccccc2C2=C1C(c1cc([N+](=O)[O-])ccc1Cl)Sc1ccccc1N2 ZINC000018219567 558834034 /nfs/dbraw/zinc/83/40/34/558834034.db2.gz LGBJBVURTHENNC-JOCHJYFZSA-N 0 1 420.877 6.115 50 30 HKEAMN O=C1c2ccccc2C2=C1[C@H](c1ccc(Cl)cc1Cl)Sc1ccccc1N2 ZINC000018249520 558834588 /nfs/dbraw/zinc/83/45/88/558834588.db2.gz VVMOFZQENBHUEY-QFIPXVFZSA-N 0 1 410.325 6.860 50 30 HKEAMN O=C1c2ccccc2C2=C1[C@@H](c1ccc(Cl)cc1Cl)Sc1ccccc1N2 ZINC000018249522 558834512 /nfs/dbraw/zinc/83/45/12/558834512.db2.gz VVMOFZQENBHUEY-JOCHJYFZSA-N 0 1 410.325 6.860 50 30 HKEAMN CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1c[nH]c2ccccc21 ZINC000018250706 521165799 /nfs/dbraw/zinc/16/57/99/521165799.db2.gz PCEKDXLAAVMYJQ-VWLOTQADSA-N 0 1 413.521 5.721 50 30 HKEAMN CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1c[nH]c2ccccc21 ZINC000018250708 558834880 /nfs/dbraw/zinc/83/48/80/558834880.db2.gz PCEKDXLAAVMYJQ-RUZDIDTESA-N 0 1 413.521 5.721 50 30 HKEAMN CCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@@H]1c1ccc(Cl)cc1 ZINC000018250713 558834903 /nfs/dbraw/zinc/83/49/03/558834903.db2.gz XTNUCUHBGGYIKO-QHCPKHFHSA-N 0 1 408.929 5.893 50 30 HKEAMN CCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@H]1c1ccc(Cl)cc1 ZINC000018250715 558834938 /nfs/dbraw/zinc/83/49/38/558834938.db2.gz XTNUCUHBGGYIKO-HSZRJFAPSA-N 0 1 408.929 5.893 50 30 HKEAMN CCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(=O)C2[C@@H]1c1ccco1 ZINC000018322717 558835420 /nfs/dbraw/zinc/83/54/20/558835420.db2.gz UKDJUSMNANOMFN-DWXRJYCRSA-N 0 1 412.489 5.590 50 30 HKEAMN CCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(=O)C2[C@H]1c1ccco1 ZINC000018322721 558835498 /nfs/dbraw/zinc/83/54/98/558835498.db2.gz UKDJUSMNANOMFN-WXTAPIANSA-N 0 1 412.489 5.590 50 30 HKEAMN CCC(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(=O)C2[C@@H]1c1ccco1 ZINC000018322725 558835456 /nfs/dbraw/zinc/83/54/56/558835456.db2.gz UKDJUSMNANOMFN-QYBDOPJKSA-N 0 1 412.489 5.590 50 30 HKEAMN CCC(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(=O)C2[C@H]1c1ccco1 ZINC000018322729 558835517 /nfs/dbraw/zinc/83/55/17/558835517.db2.gz UKDJUSMNANOMFN-HFJWLAOPSA-N 0 1 412.489 5.590 50 30 HKEAMN CC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000018324619 558835644 /nfs/dbraw/zinc/83/56/44/558835644.db2.gz FDSKRIDRRFPXBU-VWLOTQADSA-N 0 1 416.565 6.147 50 30 HKEAMN CC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000018324622 558835618 /nfs/dbraw/zinc/83/56/18/558835618.db2.gz FDSKRIDRRFPXBU-RUZDIDTESA-N 0 1 416.565 6.147 50 30 HKEAMN C/C(=N/N1CCN(Cc2cccc3ccccc32)CC1)c1ccc(Br)cc1 ZINC000019594654 558945394 /nfs/dbraw/zinc/94/53/94/558945394.db2.gz ISVBOTTXJUZANY-BWAHOGKJSA-N 0 1 422.370 5.144 50 30 HKEAMN C(=N/N1CCN(C2c3ccccc3-c3ccccc32)CC1)\c1cccc2ccccc12 ZINC000019682274 558956851 /nfs/dbraw/zinc/95/68/51/558956851.db2.gz CTGXXIUKDMUJTI-ZTKZIYFRSA-N 0 1 403.529 5.561 50 30 HKEAMN Clc1cccc(/C=N/N2CCN(C3c4ccccc4-c4ccccc43)CC2)c1Cl ZINC000019682303 558956822 /nfs/dbraw/zinc/95/68/22/558956822.db2.gz IKORQPYEYPAXPM-JVWAILMASA-N 0 1 422.359 5.715 50 30 HKEAMN Clc1cccc(Cl)c1/C=N/N1CCN(C2c3ccccc3-c3ccccc32)CC1 ZINC000019682334 558956864 /nfs/dbraw/zinc/95/68/64/558956864.db2.gz HKDDOHWQQLCMJP-JVWAILMASA-N 0 1 422.359 5.715 50 30 HKEAMN Clc1ccc(/C=N/N2CCN(C3c4ccccc4-c4ccccc43)CC2)c(Cl)c1 ZINC000019682410 558956883 /nfs/dbraw/zinc/95/68/83/558956883.db2.gz MCNKNEUWFPOBKM-JVWAILMASA-N 0 1 422.359 5.715 50 30 HKEAMN C/C(=N/N1CCN(C2c3ccccc3-c3ccccc32)CC1)c1ccc(Cl)cc1 ZINC000019682478 558956840 /nfs/dbraw/zinc/95/68/40/558956840.db2.gz MMJFUDYLDXSUCS-IMRQLAEWSA-N 0 1 401.941 5.452 50 30 HKEAMN C(=N/N1CCN(Cc2cccc3ccccc32)CC1)\c1cccc(Oc2ccccc2)c1 ZINC000019773054 558280543 /nfs/dbraw/zinc/28/05/43/558280543.db2.gz BZNNICKWRSXYFY-XHLNEMQHSA-N 0 1 421.544 5.784 50 30 HKEAMN CC(C)(C)c1ccc(/C=N/N2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1 ZINC000019807847 558286068 /nfs/dbraw/zinc/28/60/68/558286068.db2.gz PADTVFHGIZZMAR-ZTKZIYFRSA-N 0 1 409.577 5.706 50 30 HKEAMN Clc1ccc(/C=N/N2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1Cl ZINC000019808602 558286048 /nfs/dbraw/zinc/28/60/48/558286048.db2.gz VXPKWRXTBVZJAX-JVWAILMASA-N 0 1 422.359 5.715 50 30 HKEAMN FC(F)(F)c1ccccc1/C=N/N1CCN(C2c3ccccc3-c3ccccc32)CC1 ZINC000019808967 558286183 /nfs/dbraw/zinc/28/61/83/558286183.db2.gz WGUMCRAUDFSVIH-STBIYBPSSA-N 0 1 421.466 5.427 50 30 HKEAMN ClC(/C=N/N1CCN(C2c3ccccc3-c3ccccc32)CC1)=C\c1ccccc1 ZINC000019809097 558286452 /nfs/dbraw/zinc/28/64/52/558286452.db2.gz FJAHAMZVQINZKB-GRJNBTBRSA-N 0 1 413.952 5.640 50 30 HKEAMN C/C(=N\N1CCN(Cc2cccc3ccccc32)CC1)c1ccc(Cl)c(Cl)c1 ZINC000019833654 558292298 /nfs/dbraw/zinc/29/22/98/558292298.db2.gz HFUOOQMYYVNYNB-YZSQISJMSA-N 0 1 412.364 5.688 50 30 HKEAMN C(=N/N1CCN(Cc2cccc3ccccc32)CC1)\c1ccc(-c2ccccc2)cc1 ZINC000019834194 569009611 /nfs/dbraw/zinc/00/96/11/569009611.db2.gz BALHNVSZUFSSKM-XHLNEMQHSA-N 0 1 405.545 5.659 50 30 HKEAMN CSc1ccc(/C=N/N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000019848785 558295086 /nfs/dbraw/zinc/29/50/86/558295086.db2.gz IEKLRZNCGUOACR-LHLOQNFPSA-N 0 1 401.579 5.150 50 30 HKEAMN C/C(=N\N1CCN(Cc2cccc3ccccc32)CC1)c1cccc(Br)c1 ZINC000019849117 558295146 /nfs/dbraw/zinc/29/51/46/558295146.db2.gz OHXBEBSLPFJJAM-XIEYBQDHSA-N 0 1 422.370 5.144 50 30 HKEAMN C/C(=N\N1CCN(Cc2cccc3ccccc32)CC1)c1ccc(Cl)cc1Cl ZINC000019849119 569009615 /nfs/dbraw/zinc/00/96/15/569009615.db2.gz BYJICHPRSQUAIV-YZSQISJMSA-N 0 1 412.364 5.688 50 30 HKEAMN CCCOc1ccc(/C=N/N2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1 ZINC000019850602 558295298 /nfs/dbraw/zinc/29/52/98/558295298.db2.gz XGOGLOWKTNVKDQ-VFCFBJKWSA-N 0 1 411.549 5.197 50 30 HKEAMN Oc1ccc2ccccc2c1/C=N/N1CCN(C2c3ccccc3-c3ccccc32)CC1 ZINC000019861272 558298132 /nfs/dbraw/zinc/29/81/32/558298132.db2.gz JHSXJPYGYWOSBK-VUTHCHCSSA-N 0 1 419.528 5.267 50 30 HKEAMN FC(F)(F)c1ccc(/C=N/N2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1 ZINC000019861283 558298180 /nfs/dbraw/zinc/29/81/80/558298180.db2.gz OBMMSIXSLVUGHO-STBIYBPSSA-N 0 1 421.466 5.427 50 30 HKEAMN Fc1cccc(Cl)c1/C=N/N1CCN(C2c3ccccc3-c3ccccc32)CC1 ZINC000019867134 558299144 /nfs/dbraw/zinc/29/91/44/558299144.db2.gz WHMCFPMZCXITMW-JVWAILMASA-N 0 1 405.904 5.201 50 30 HKEAMN CC(C)CC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@@H]1c1ccc(F)cc1 ZINC000019894275 558303465 /nfs/dbraw/zinc/30/34/65/558303465.db2.gz WHDIGURMFDURHY-VWLOTQADSA-N 0 1 420.528 6.015 50 30 HKEAMN CC(C)CC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@H]1c1ccc(F)cc1 ZINC000019894276 558303490 /nfs/dbraw/zinc/30/34/90/558303490.db2.gz WHDIGURMFDURHY-RUZDIDTESA-N 0 1 420.528 6.015 50 30 HKEAMN N#Cc1nc(-c2ccccc2)oc1N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000019898559 569433246 /nfs/dbraw/zinc/43/32/46/569433246.db2.gz XNMJWGZTZBRRCQ-UHFFFAOYSA-N 0 1 420.516 5.125 50 30 HKEAMN C(#CCN(Cc1ccccc1)Cc1ccccc1)C=C(c1ccccc1)c1ccccc1 ZINC000019911432 518369888 /nfs/dbraw/zinc/36/98/88/518369888.db2.gz FXXQEKWCKLHFNF-UHFFFAOYSA-N 0 1 413.564 6.824 50 30 HKEAMN CC1(C)CCC[C@@](C)(C#CCN2CCN(C(c3ccccc3)c3ccccc3)CC2)O1 ZINC000019938808 569018635 /nfs/dbraw/zinc/01/86/35/569018635.db2.gz AUSVTMCFJKIUCU-NDEPHWFRSA-N 0 1 416.609 5.135 50 30 HKEAMN CC1(C)CCC[C@](C)(C#CCN2CCN(C(c3ccccc3)c3ccccc3)CC2)O1 ZINC000019938809 569018580 /nfs/dbraw/zinc/01/85/80/569018580.db2.gz AUSVTMCFJKIUCU-MUUNZHRXSA-N 0 1 416.609 5.135 50 30 HKEAMN O[C@](CC#CCN(Cc1ccccc1)Cc1ccccc1)(c1ccccc1)C1CCCC1 ZINC000020058009 526319497 /nfs/dbraw/zinc/31/94/97/526319497.db2.gz ZWSGNLCSUUIPOH-SSEXGKCCSA-N 0 1 423.600 6.160 50 30 HKEAMN O[C@@](CC#CCN(Cc1ccccc1)Cc1ccccc1)(c1ccccc1)C1CCCC1 ZINC000020058010 560605071 /nfs/dbraw/zinc/60/50/71/560605071.db2.gz ZWSGNLCSUUIPOH-PMERELPUSA-N 0 1 423.600 6.160 50 30 HKEAMN COc1ccccc1/C=C/C=N/N1CCN(C2c3ccccc3-c3ccccc32)CC1 ZINC000020064982 558330358 /nfs/dbraw/zinc/33/03/58/558330358.db2.gz TZGWMQUPMCHRJQ-POGUPQBGSA-N 0 1 409.533 5.082 50 30 HKEAMN C/C(=N/N1CCN(C2c3ccccc3-c3ccccc32)CC1)c1ccc2ccccc2c1 ZINC000020065272 568587200 /nfs/dbraw/zinc/58/72/00/568587200.db2.gz NAHGGULQIGPSGW-OFWBYEQRSA-N 0 1 417.556 5.951 50 30 HKEAMN C/C(=N/N1CCN(Cc2cccc3ccccc32)CC1)c1cccc(Br)c1 ZINC000020065303 558330253 /nfs/dbraw/zinc/33/02/53/558330253.db2.gz OHXBEBSLPFJJAM-BWAHOGKJSA-N 0 1 422.370 5.144 50 30 HKEAMN C/C(=N/N1CCN(Cc2cccc3ccccc32)CC1)c1ccc(Cl)c(Cl)c1 ZINC000020083122 558331112 /nfs/dbraw/zinc/33/11/12/558331112.db2.gz HFUOOQMYYVNYNB-ONUIUJJFSA-N 0 1 412.364 5.688 50 30 HKEAMN CCc1ccc([C@H]2c3c(n[nH]c3-c3ccc([N+](=O)[O-])cc3)NC3=C2C(=O)CCC3)cc1 ZINC000020134865 568589869 /nfs/dbraw/zinc/58/98/69/568589869.db2.gz BBXKPSNDZXAGDA-HXUWFJFHSA-N 0 1 414.465 5.112 50 30 HKEAMN CCc1ccc([C@@H]2c3c(n[nH]c3-c3ccc([N+](=O)[O-])cc3)NC3=C2C(=O)CCC3)cc1 ZINC000020134868 568589946 /nfs/dbraw/zinc/58/99/46/568589946.db2.gz BBXKPSNDZXAGDA-FQEVSTJZSA-N 0 1 414.465 5.112 50 30 HKEAMN CC1(C)CC(=O)C2=C(C1)Nc1n[nH]c(-c3ccc([N+](=O)[O-])cc3)c1[C@@H]2c1cccs1 ZINC000020134871 568589843 /nfs/dbraw/zinc/58/98/43/568589843.db2.gz VBUMRGFHBCPVID-GOSISDBHSA-N 0 1 420.494 5.247 50 30 HKEAMN CC1(C)CC(=O)C2=C(C1)Nc1n[nH]c(-c3ccc([N+](=O)[O-])cc3)c1[C@H]2c1cccs1 ZINC000020134875 568589898 /nfs/dbraw/zinc/58/98/98/568589898.db2.gz VBUMRGFHBCPVID-SFHVURJKSA-N 0 1 420.494 5.247 50 30 HKEAMN Cc1c(C#N)c2nc3ccccc3n2c(N2CCN(Cc3ccccc3)CC2)c1C(C)C ZINC000020262936 568596340 /nfs/dbraw/zinc/59/63/40/568596340.db2.gz ORHVYLLARDEBAI-UHFFFAOYSA-N 0 1 423.564 5.113 50 30 HKEAMN CC1(C)CC(=O)C2=C(C1)Nc1n[nH]c(-c3ccc([N+](=O)[O-])cc3)c1[C@@H]2c1ccccc1 ZINC000020556884 520260996 /nfs/dbraw/zinc/26/09/96/520260996.db2.gz OWJMLVGHSDXHQZ-LJQANCHMSA-N 0 1 414.465 5.186 50 30 HKEAMN CC1(C)CC(=O)C2=C(C1)Nc1n[nH]c(-c3ccc([N+](=O)[O-])cc3)c1[C@H]2c1ccccc1 ZINC000020556886 520259427 /nfs/dbraw/zinc/25/94/27/520259427.db2.gz OWJMLVGHSDXHQZ-IBGZPJMESA-N 0 1 414.465 5.186 50 30 HKEAMN Cc1nc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)c(C#N)c2c1CCCC2 ZINC000020590431 526967189 /nfs/dbraw/zinc/96/71/89/526967189.db2.gz VBNDOIWPFYMVAS-UHFFFAOYSA-N 0 1 422.576 5.052 50 30 HKEAMN CCN(CC)c1ccc([C@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CC(C)C)cc1 ZINC000020606195 520923694 /nfs/dbraw/zinc/92/36/94/520923694.db2.gz DDSSWXLMGSPAIK-QHCPKHFHSA-N 0 1 420.553 5.076 50 30 HKEAMN CCN(CC)c1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CC(C)C)cc1 ZINC000020606196 520921937 /nfs/dbraw/zinc/92/19/37/520921937.db2.gz DDSSWXLMGSPAIK-HSZRJFAPSA-N 0 1 420.553 5.076 50 30 HKEAMN C[C@@H]1CCCC[N@H+]1Cc1c2c(ccc1[O-])C(=O)/C(=C/C1=Cc3ccccc3O[C@@H]1C)O2 ZINC000020612016 524113956 /nfs/dbraw/zinc/11/39/56/524113956.db2.gz VLNUFZKTWCXVTO-HGQBTHLCSA-N 0 1 417.505 5.090 50 30 biogenic HKEAMN C[C@H]1Oc2ccccc2C=C1/C=C1\Oc2c(ccc([O-])c2C[N@@H+]2CCCC[C@@H]2C)C1=O ZINC000020612018 525063866 /nfs/dbraw/zinc/06/38/66/525063866.db2.gz VLNUFZKTWCXVTO-GZSFAVFVSA-N 0 1 417.505 5.090 50 30 biogenic HKEAMN Oc1c(Cl)cc(Cl)c2ccc(NN=Cc3ccc(OC(F)(F)F)cc3)nc12 ZINC000020615620 526323579 /nfs/dbraw/zinc/32/35/79/526323579.db2.gz UYTKLJKLFLMMIF-LIMNOBDPSA-N 0 1 416.186 5.592 50 30 HKEAMN Oc1c(Cl)cc(Cl)c2ccc(NN=Cc3cc(Br)cs3)nc12 ZINC000020615636 526324122 /nfs/dbraw/zinc/32/41/22/526324122.db2.gz QNAJVKAABMAMMQ-BLLMUTORSA-N 0 1 417.115 5.517 50 30 HKEAMN Oc1c(Cl)cc(Cl)c2ccc(NN=Cc3ccc(Br)s3)nc12 ZINC000020615641 526324140 /nfs/dbraw/zinc/32/41/40/526324140.db2.gz FIWDHVWOPGWCAW-NGYBGAFCSA-N 0 1 417.115 5.517 50 30 HKEAMN Oc1c(Cl)cc(Cl)c2ccc(NN=Cc3cccc(Oc4ccccc4)c3)nc12 ZINC000020615647 526324490 /nfs/dbraw/zinc/32/44/90/526324490.db2.gz HGHGURVCUCUWQZ-DHRITJCHSA-N 0 1 424.287 6.486 50 30 HKEAMN C[C@@H]1CCC[N@@H+](Cc2c3c(ccc2[O-])C(=O)/C(=C/c2c(F)cccc2Cl)O3)C1 ZINC000020624602 524229135 /nfs/dbraw/zinc/22/91/35/524229135.db2.gz KPCIPRRONPCYRX-CFFVULROSA-N 0 1 401.865 5.033 50 30 HKEAMN C[C@H]1CCC[N@@H+](Cc2c3c(ccc2[O-])C(=O)/C(=C/c2c(F)cccc2Cl)O3)C1 ZINC000020624605 524093718 /nfs/dbraw/zinc/09/37/18/524093718.db2.gz KPCIPRRONPCYRX-NLLJVSSUSA-N 0 1 401.865 5.033 50 30 HKEAMN CCn1cc(/C=C2/Oc3c(ccc([O-])c3C[N@H+]3CCC[C@@H](C)C3)C2=O)c2ccccc21 ZINC000020647028 523304203 /nfs/dbraw/zinc/30/42/03/523304203.db2.gz RGVCCDYOTZZXDO-ZRWQFTNJSA-N 0 1 416.521 5.215 50 30 HKEAMN CCn1cc(/C=C2/Oc3c(ccc([O-])c3C[N@H+]3CCC[C@H](C)C3)C2=O)c2ccccc21 ZINC000020647031 523304962 /nfs/dbraw/zinc/30/49/62/523304962.db2.gz RGVCCDYOTZZXDO-PDERCVKFSA-N 0 1 416.521 5.215 50 30 HKEAMN CCn1cc(/C=C2/Oc3c(ccc([O-])c3C[N@H+]3CCCC[C@@H]3C)C2=O)c2ccccc21 ZINC000020647041 558397230 /nfs/dbraw/zinc/39/72/30/558397230.db2.gz YTEIWYKHMFUXPU-ZZQPOVDQSA-N 0 1 416.521 5.357 50 30 HKEAMN CCn1cc(/C=C2/Oc3c(ccc([O-])c3C[N@H+]3CCCC[C@H]3C)C2=O)c2ccccc21 ZINC000020647044 523305650 /nfs/dbraw/zinc/30/56/50/523305650.db2.gz YTEIWYKHMFUXPU-PTZPRWATSA-N 0 1 416.521 5.357 50 30 HKEAMN C[C@@H]1CCC[N@@H+](Cc2c3c(ccc2[O-])C(=O)/C(=C/c2ccc(Cl)cc2Cl)O3)C1 ZINC000020647299 524230367 /nfs/dbraw/zinc/23/03/67/524230367.db2.gz JBLNNWJGMYMLNV-HHGUGQKFSA-N 0 1 418.320 5.547 50 30 HKEAMN C[C@H]1CCC[N@@H+](Cc2c3c(ccc2[O-])C(=O)/C(=C/c2ccc(Cl)cc2Cl)O3)C1 ZINC000020647302 524092346 /nfs/dbraw/zinc/09/23/46/524092346.db2.gz JBLNNWJGMYMLNV-CCSWUNFSSA-N 0 1 418.320 5.547 50 30 HKEAMN Cc1cc([O-])c(C[N@@H+]2CCC[C@@H](C)C2)c2c1C(=O)/C(=C/c1cc3ccccc3o1)O2 ZINC000020647517 525315619 /nfs/dbraw/zinc/31/56/19/525315619.db2.gz YZTVZZSCIQVRIO-SRMCNWIXSA-N 0 1 403.478 5.295 50 30 HKEAMN Cc1cc([O-])c(C[N@@H+]2CCC[C@H](C)C2)c2c1C(=O)/C(=C/c1cc3ccccc3o1)O2 ZINC000020647520 525315805 /nfs/dbraw/zinc/31/58/05/525315805.db2.gz YZTVZZSCIQVRIO-QZDMBBGESA-N 0 1 403.478 5.295 50 30 HKEAMN C[N@@H+](Cc1ccccc1)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1cc3ccccc3o1)O2 ZINC000020647682 523344614 /nfs/dbraw/zinc/34/46/14/523344614.db2.gz CNKOAILMZWONOF-OYKKKHCWSA-N 0 1 411.457 5.387 50 30 HKEAMN C[C@@H]1CCCC[N@H+]1Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccc(Cl)cc1Cl)O2 ZINC000020647839 524114791 /nfs/dbraw/zinc/11/47/91/524114791.db2.gz VTTCOHYECGZDRL-CFFVULROSA-N 0 1 418.320 5.690 50 30 HKEAMN C[C@H]1CCCC[N@H+]1Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccc(Cl)cc1Cl)O2 ZINC000020647842 526251194 /nfs/dbraw/zinc/25/11/94/526251194.db2.gz VTTCOHYECGZDRL-NLLJVSSUSA-N 0 1 418.320 5.690 50 30 HKEAMN C[N@@H+](Cc1ccccc1)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccccc1Cl)O2 ZINC000020648043 523341912 /nfs/dbraw/zinc/34/19/12/523341912.db2.gz FNJVMXMCTRUCKU-XKZIYDEJSA-N 0 1 405.881 5.294 50 30 HKEAMN Cc1cc([O-])c(C[N@@H+]2CCCC[C@H]2C)c2c1C(=O)/C(=C/c1cc3ccccc3o1)O2 ZINC000020648049 525316126 /nfs/dbraw/zinc/31/61/26/525316126.db2.gz VOWIXBRNOIXGEC-NXUSMQHESA-N 0 1 403.478 5.437 50 30 HKEAMN Cc1cc([O-])c(C[N@@H+]2CCCC[C@@H]2C)c2c1C(=O)/C(=C/c1cc3ccccc3o1)O2 ZINC000020648052 525316417 /nfs/dbraw/zinc/31/64/17/525316417.db2.gz VOWIXBRNOIXGEC-GLFIFPSUSA-N 0 1 403.478 5.437 50 30 HKEAMN Cn1cc(/C=C2/Oc3c(ccc([O-])c3C[N@@H+](C)Cc3ccccc3)C2=O)c2ccccc21 ZINC000020649156 523344693 /nfs/dbraw/zinc/34/46/93/523344693.db2.gz NEPZRGCKQFLNGT-AFUMVMLFSA-N 0 1 424.500 5.132 50 30 HKEAMN CCCC[N@@H+](C)Cc1c2c(ccc1[O-])C(=O)/C(=C\c1cn(CC)c3ccccc13)O2 ZINC000020650068 520421974 /nfs/dbraw/zinc/42/19/74/520421974.db2.gz ULSHRMKFWYKLSU-OEAKJJBVSA-N 0 1 404.510 5.215 50 30 HKEAMN CCCC[N@@H+](C)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccc(-c3ccccc3)cc1)O2 ZINC000020650330 520417017 /nfs/dbraw/zinc/41/70/17/520417017.db2.gz OQJUOPHOZYWALB-UQQQWYQISA-N 0 1 413.517 5.907 50 30 HKEAMN C[C@@H]1CCCC[N@H+]1Cc1c2c(ccc1[O-])C(=O)/C(=C/c1c(F)cccc1Cl)O2 ZINC000020650830 524115463 /nfs/dbraw/zinc/11/54/63/524115463.db2.gz OBEOHKSOILYDOM-RBFBNPFJSA-N 0 1 401.865 5.175 50 30 HKEAMN C[C@H]1CCCC[N@H+]1Cc1c2c(ccc1[O-])C(=O)/C(=C/c1c(F)cccc1Cl)O2 ZINC000020650833 526251854 /nfs/dbraw/zinc/25/18/54/526251854.db2.gz OBEOHKSOILYDOM-GHOUAXAESA-N 0 1 401.865 5.175 50 30 HKEAMN CC1(C)CC(=O)C2=C(C1)Nc1n[nH]c(-c3cccc([N+](=O)[O-])c3)c1[C@@H]2c1cccs1 ZINC000020849718 520260358 /nfs/dbraw/zinc/26/03/58/520260358.db2.gz ZPHJZNPQYDSUEQ-GOSISDBHSA-N 0 1 420.494 5.247 50 30 HKEAMN CC1(C)CC(=O)C2=C(C1)Nc1n[nH]c(-c3cccc([N+](=O)[O-])c3)c1[C@H]2c1cccs1 ZINC000020849721 520259591 /nfs/dbraw/zinc/25/95/91/520259591.db2.gz ZPHJZNPQYDSUEQ-SFHVURJKSA-N 0 1 420.494 5.247 50 30 HKEAMN CC(C)CC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@@H]1c1ccccc1 ZINC000021356104 519584636 /nfs/dbraw/zinc/58/46/36/519584636.db2.gz GMMOJLFYHQETDJ-VWLOTQADSA-N 0 1 402.538 5.876 50 30 HKEAMN CC(C)CC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@H]1c1ccccc1 ZINC000021356111 519584502 /nfs/dbraw/zinc/58/45/02/519584502.db2.gz GMMOJLFYHQETDJ-RUZDIDTESA-N 0 1 402.538 5.876 50 30 HKEAMN Cc1ccc(C(=O)N2c3ccccc3N=C3CCCC(=O)C3[C@@H]2c2cccs2)cc1 ZINC000021356208 526143359 /nfs/dbraw/zinc/14/33/59/526143359.db2.gz LECCXYDJOWZLEC-DEOSSOPVSA-N 0 1 414.530 5.877 50 30 HKEAMN Cc1ccc(C(=O)N2c3ccccc3N=C3CCCC(=O)C3[C@H]2c2cccs2)cc1 ZINC000021356213 526143310 /nfs/dbraw/zinc/14/33/10/526143310.db2.gz LECCXYDJOWZLEC-XMMPIXPASA-N 0 1 414.530 5.877 50 30 HKEAMN O=C(c1ccc(F)cc1)N1c2ccccc2N=C2CCCC(=O)C2[C@@H]1c1cccs1 ZINC000021356218 526690575 /nfs/dbraw/zinc/69/05/75/526690575.db2.gz WWTGVWUFEIKVOE-QHCPKHFHSA-N 0 1 418.493 5.708 50 30 HKEAMN O=C(c1ccc(F)cc1)N1c2ccccc2N=C2CCCC(=O)C2[C@H]1c1cccs1 ZINC000021356224 526691397 /nfs/dbraw/zinc/69/13/97/526691397.db2.gz WWTGVWUFEIKVOE-HSZRJFAPSA-N 0 1 418.493 5.708 50 30 HKEAMN C/C(=N\N1CCN(Cc2cccc3ccccc32)CC1)c1ccc(Br)cc1 ZINC000021486447 518459069 /nfs/dbraw/zinc/45/90/69/518459069.db2.gz ISVBOTTXJUZANY-XIEYBQDHSA-N 0 1 422.370 5.144 50 30 HKEAMN CC1(C)CC(=O)C2C(=Nc3cc(-c4ccccc4)nn3[C@@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000021658658 520259957 /nfs/dbraw/zinc/25/99/57/520259957.db2.gz UVJCLKAGCVPPJG-HSZRJFAPSA-N 0 1 414.465 5.116 50 30 HKEAMN CC1(C)CC(=O)C2C(=Nc3cc(-c4ccccc4)nn3[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000021658660 520259736 /nfs/dbraw/zinc/25/97/36/520259736.db2.gz UVJCLKAGCVPPJG-QHCPKHFHSA-N 0 1 414.465 5.116 50 30 HKEAMN COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3cc(-c4ccc(C)cc4)nn32)cc1 ZINC000021658671 525227405 /nfs/dbraw/zinc/22/74/05/525227405.db2.gz PJHFZPZSILMDFK-RUZDIDTESA-N 0 1 413.521 5.525 50 30 HKEAMN COc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3cc(-c4ccc(C)cc4)nn32)cc1 ZINC000021658673 525392224 /nfs/dbraw/zinc/39/22/24/525392224.db2.gz PJHFZPZSILMDFK-VWLOTQADSA-N 0 1 413.521 5.525 50 30 HKEAMN O=C(Nc1ccccc1)N1c2ccccc2N=C2CCCC(=O)C2[C@H]1c1cccs1 ZINC000021722330 527394197 /nfs/dbraw/zinc/39/41/97/527394197.db2.gz SSKYXUBSAXSWJO-HSZRJFAPSA-N 0 1 415.518 5.961 50 30 HKEAMN O=C(Nc1ccccc1)N1c2ccccc2N=C2CCCC(=O)C2[C@@H]1c1cccs1 ZINC000021722332 527393402 /nfs/dbraw/zinc/39/34/02/527393402.db2.gz SSKYXUBSAXSWJO-QHCPKHFHSA-N 0 1 415.518 5.961 50 30 HKEAMN O=C(NC1CCCC1)N1c2ccccc2N=C2CCCC(=O)C2[C@H]1c1cccs1 ZINC000021722362 527507169 /nfs/dbraw/zinc/50/71/69/527507169.db2.gz MFTOKUASBFAWIX-JOCHJYFZSA-N 0 1 407.539 5.381 50 30 HKEAMN O=C(NC1CCCC1)N1c2ccccc2N=C2CCCC(=O)C2[C@@H]1c1cccs1 ZINC000021722364 527506534 /nfs/dbraw/zinc/50/65/34/527506534.db2.gz MFTOKUASBFAWIX-QFIPXVFZSA-N 0 1 407.539 5.381 50 30 HKEAMN O=C(NCc1ccco1)N1c2ccccc2N=C2CCCC(=O)C2[C@H]1c1cccs1 ZINC000021722366 526775489 /nfs/dbraw/zinc/77/54/89/526775489.db2.gz CIHGKBPSLKKRHS-JOCHJYFZSA-N 0 1 419.506 5.231 50 30 HKEAMN O=C(NCc1ccco1)N1c2ccccc2N=C2CCCC(=O)C2[C@@H]1c1cccs1 ZINC000021722368 526776040 /nfs/dbraw/zinc/77/60/40/526776040.db2.gz CIHGKBPSLKKRHS-QFIPXVFZSA-N 0 1 419.506 5.231 50 30 HKEAMN Cc1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)C(C)C)cc1 ZINC000021722405 525984445 /nfs/dbraw/zinc/98/44/45/525984445.db2.gz YOJVUJRGCGMGAD-DEOSSOPVSA-N 0 1 402.538 5.794 50 30 HKEAMN Cc1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)C(C)C)cc1 ZINC000021722407 525790230 /nfs/dbraw/zinc/79/02/30/525790230.db2.gz YOJVUJRGCGMGAD-XMMPIXPASA-N 0 1 402.538 5.794 50 30 HKEAMN CCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@@H]1c1ccc(OC)cc1 ZINC000021722409 521167175 /nfs/dbraw/zinc/16/71/75/521167175.db2.gz CYXJNQSIHSBBII-DEOSSOPVSA-N 0 1 404.510 5.248 50 30 HKEAMN CCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@H]1c1ccc(OC)cc1 ZINC000021722415 521168333 /nfs/dbraw/zinc/16/83/33/521168333.db2.gz CYXJNQSIHSBBII-XMMPIXPASA-N 0 1 404.510 5.248 50 30 HKEAMN CCCNC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@@H]1c1ccccc1 ZINC000021722874 519884160 /nfs/dbraw/zinc/88/41/60/519884160.db2.gz ZZVFMRARQXFBMD-QHCPKHFHSA-N 0 1 403.526 5.423 50 30 HKEAMN CCCNC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@H]1c1ccccc1 ZINC000021722877 519883884 /nfs/dbraw/zinc/88/38/84/519883884.db2.gz ZZVFMRARQXFBMD-HSZRJFAPSA-N 0 1 403.526 5.423 50 30 HKEAMN CCCNC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@@H]1c1ccc(C)cc1 ZINC000021722879 519884086 /nfs/dbraw/zinc/88/40/86/519884086.db2.gz ANLHHPDMFLMSDS-DEOSSOPVSA-N 0 1 417.553 5.731 50 30 HKEAMN CCCNC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@H]1c1ccc(C)cc1 ZINC000021722882 519884036 /nfs/dbraw/zinc/88/40/36/519884036.db2.gz ANLHHPDMFLMSDS-XMMPIXPASA-N 0 1 417.553 5.731 50 30 HKEAMN CCCNC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@@H]1c1ccc(F)cc1 ZINC000021722899 519884056 /nfs/dbraw/zinc/88/40/56/519884056.db2.gz BLDNCTFCGHYRRV-QHCPKHFHSA-N 0 1 421.516 5.562 50 30 HKEAMN CCCNC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@H]1c1ccc(F)cc1 ZINC000021722901 519883888 /nfs/dbraw/zinc/88/38/88/519883888.db2.gz BLDNCTFCGHYRRV-HSZRJFAPSA-N 0 1 421.516 5.562 50 30 HKEAMN CCCNC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@@H]1c1cccs1 ZINC000021722915 519883916 /nfs/dbraw/zinc/88/39/16/519883916.db2.gz CPFSIUSNJPSISJ-NRFANRHFSA-N 0 1 409.555 5.484 50 30 HKEAMN CCCNC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@H]1c1cccs1 ZINC000021722917 519884083 /nfs/dbraw/zinc/88/40/83/519884083.db2.gz CPFSIUSNJPSISJ-OAQYLSRUSA-N 0 1 409.555 5.484 50 30 HKEAMN CC1=C(C#Cc2ccccc2)c2ccccc2O[C@@]1(NC1CCCCC1)c1ccccc1 ZINC000022027600 520790793 /nfs/dbraw/zinc/79/07/93/520790793.db2.gz OETJTLHGRAXRJR-SSEXGKCCSA-N 0 1 419.568 6.680 50 30 HKEAMN CC1=C(C#Cc2ccccc2)c2ccccc2O[C@]1(NC1CCCCC1)c1ccccc1 ZINC000022027603 520789718 /nfs/dbraw/zinc/78/97/18/520789718.db2.gz OETJTLHGRAXRJR-PMERELPUSA-N 0 1 419.568 6.680 50 30 HKEAMN Fc1ccc(CN2CCC(Cc3ccc(C(F)(F)F)cc3)CC2)cc1C(F)(F)F ZINC000022629452 526331587 /nfs/dbraw/zinc/33/15/87/526331587.db2.gz GHBIIWBDUBGVBZ-UHFFFAOYSA-N 0 1 419.384 6.318 50 30 HKEAMN C/C(=N\N1CCN(Cc2cccc3ccccc32)CC1)c1ccc(-c2ccccc2)cc1 ZINC000025329221 518459147 /nfs/dbraw/zinc/45/91/47/518459147.db2.gz STRNSYSTPKOCAX-JJKYIXSRSA-N 0 1 419.572 6.049 50 30 HKEAMN Cc1nc(Nc2ccc(C)cc2[N+](=O)[O-])sc1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000025586182 527002845 /nfs/dbraw/zinc/00/28/45/527002845.db2.gz MKVSQBBGWDBCIP-UXBLZVDNSA-N 0 1 424.438 5.216 50 30 HKEAMN CCCCC(=O)N1c2ccccc2N=C2CCCC(=O)C2[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000027534050 519910667 /nfs/dbraw/zinc/91/06/67/519910667.db2.gz AVNSKZHPWGBTPG-DEOSSOPVSA-N 0 1 419.481 5.292 50 30 HKEAMN CCCCC(=O)N1c2ccccc2N=C2CCCC(=O)C2[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000027534053 519911285 /nfs/dbraw/zinc/91/12/85/519911285.db2.gz AVNSKZHPWGBTPG-XMMPIXPASA-N 0 1 419.481 5.292 50 30 HKEAMN N#Cc1nc(Cc2cccc3ccccc32)oc1NC[C@H](c1ccco1)N1CCCC1 ZINC000027562221 569373289 /nfs/dbraw/zinc/37/32/89/569373289.db2.gz FQJJPSMJSTWZKE-JOCHJYFZSA-N 0 1 412.493 5.132 50 30 HKEAMN N#Cc1nc(Cc2cccc3ccccc32)oc1NC[C@@H](c1ccco1)N1CCCC1 ZINC000027562225 569373269 /nfs/dbraw/zinc/37/32/69/569373269.db2.gz FQJJPSMJSTWZKE-QFIPXVFZSA-N 0 1 412.493 5.132 50 30 HKEAMN COc1ccccc1[C@@H](CNc1oc(-c2cccc3ccccc32)nc1C#N)N(C)C ZINC000027562228 569373356 /nfs/dbraw/zinc/37/33/56/569373356.db2.gz ODIOXRKRTMMXTF-JOCHJYFZSA-N 0 1 412.493 5.090 50 30 HKEAMN COc1ccccc1[C@H](CNc1oc(-c2cccc3ccccc32)nc1C#N)N(C)C ZINC000027562231 569373277 /nfs/dbraw/zinc/37/32/77/569373277.db2.gz ODIOXRKRTMMXTF-QFIPXVFZSA-N 0 1 412.493 5.090 50 30 HKEAMN N#Cc1nc(-c2ccccc2)oc1NC[C@H](c1ccc(Cl)cc1)N1CCCCC1 ZINC000027562639 569373266 /nfs/dbraw/zinc/37/32/66/569373266.db2.gz JEYJFXZRIGYEJP-OAQYLSRUSA-N 0 1 406.917 5.506 50 30 HKEAMN N#Cc1nc(-c2ccccc2)oc1NC[C@@H](c1ccc(Cl)cc1)N1CCCCC1 ZINC000027562642 569373292 /nfs/dbraw/zinc/37/32/92/569373292.db2.gz JEYJFXZRIGYEJP-NRFANRHFSA-N 0 1 406.917 5.506 50 30 HKEAMN Cc1ccc(-c2nc(C#N)c(NC[C@H](c3ccc(Cl)cc3)N3CCCCC3)o2)cc1 ZINC000027562701 569373279 /nfs/dbraw/zinc/37/32/79/569373279.db2.gz FCPLJLMKORRQJO-JOCHJYFZSA-N 0 1 420.944 5.814 50 30 HKEAMN Cc1ccc(-c2nc(C#N)c(NC[C@@H](c3ccc(Cl)cc3)N3CCCCC3)o2)cc1 ZINC000027562704 569373320 /nfs/dbraw/zinc/37/33/20/569373320.db2.gz FCPLJLMKORRQJO-QFIPXVFZSA-N 0 1 420.944 5.814 50 30 HKEAMN N#Cc1nc(-c2cccc3ccccc32)oc1NC[C@H](c1ccco1)N1CCCCC1 ZINC000027992015 568775794 /nfs/dbraw/zinc/77/57/94/568775794.db2.gz KALGTGLVQJYOMM-JOCHJYFZSA-N 0 1 412.493 5.599 50 30 HKEAMN N#Cc1nc(-c2cccc3ccccc32)oc1NC[C@@H](c1ccco1)N1CCCCC1 ZINC000027992019 568775788 /nfs/dbraw/zinc/77/57/88/568775788.db2.gz KALGTGLVQJYOMM-QFIPXVFZSA-N 0 1 412.493 5.599 50 30 HKEAMN Cn1cc(/C=C2\Oc3c(ccc([O-])c3C[N@@H+](C)Cc3ccccc3)C2=O)c2ccccc21 ZINC000028182437 523344083 /nfs/dbraw/zinc/34/40/83/523344083.db2.gz NEPZRGCKQFLNGT-QFEZKATASA-N 0 1 424.500 5.132 50 30 HKEAMN CCn1cc(/C=C2\Oc3c(ccc([O-])c3C[N@H+]3CCC[C@@H](C)C3)C2=O)c2ccccc21 ZINC000028182781 523306704 /nfs/dbraw/zinc/30/67/04/523306704.db2.gz RGVCCDYOTZZXDO-ZKDCOOFMSA-N 0 1 416.521 5.215 50 30 HKEAMN CCn1cc(/C=C2\Oc3c(ccc([O-])c3C[N@H+]3CCC[C@H](C)C3)C2=O)c2ccccc21 ZINC000028182783 523308178 /nfs/dbraw/zinc/30/81/78/523308178.db2.gz RGVCCDYOTZZXDO-GHRPQRKGSA-N 0 1 416.521 5.215 50 30 HKEAMN CCn1cc(/C=C2\Oc3c(ccc([O-])c3C[N@H+]3CCCC[C@@H]3C)C2=O)c2ccccc21 ZINC000028182832 568781788 /nfs/dbraw/zinc/78/17/88/568781788.db2.gz YTEIWYKHMFUXPU-PDESAOGPSA-N 0 1 416.521 5.357 50 30 HKEAMN CCn1cc(/C=C2\Oc3c(ccc([O-])c3C[N@H+]3CCCC[C@H]3C)C2=O)c2ccccc21 ZINC000028182834 523307883 /nfs/dbraw/zinc/30/78/83/523307883.db2.gz YTEIWYKHMFUXPU-SNNLMFDCSA-N 0 1 416.521 5.357 50 30 HKEAMN CCCC[N@@H+](C)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1cn(CC)c3ccccc13)O2 ZINC000028182845 520418496 /nfs/dbraw/zinc/41/84/96/520418496.db2.gz ULSHRMKFWYKLSU-UCQKPKSFSA-N 0 1 404.510 5.215 50 30 HKEAMN CCCCN(CCCC)CN1c2ccccc2/C(=N/c2ccc3ccccc3c2)C1=O ZINC000033247766 520495933 /nfs/dbraw/zinc/49/59/33/520495933.db2.gz IPQYLKOHPIKKSI-SGEDCAFJSA-N 0 1 413.565 6.167 50 30 HKEAMN CCC1S/C(=N\N=C\c2cccc3ccccc23)N(Cc2ccc(OC)cc2)C1=O ZINC000033386839 523606710 /nfs/dbraw/zinc/60/67/10/523606710.db2.gz XIHYHVVFWMMUCK-MNWLEOAJSA-N 0 1 417.534 5.093 50 30 HKEAMN CC1S/C(=N\N=C\c2ccc(Cl)cc2)N(Cc2cccc3ccccc32)C1=O ZINC000033390007 525621207 /nfs/dbraw/zinc/62/12/07/525621207.db2.gz LLWGNAGAPXUASA-ZKHVIILWSA-N 0 1 407.926 5.347 50 30 HKEAMN CC(C)(C)/N=C1\[C@@H](N2CCCC2)C2(CCCCC2)C(=O)N1c1ccc(Cl)cc1 ZINC000033435820 121225976 /nfs/dbraw/zinc/22/59/76/121225976.db2.gz VORSLXAWSKRTLZ-ZBCDYPQOSA-N 0 1 401.982 5.299 50 30 HKEAMN CC(C)(C)/N=C1\[C@H](N2CCCC2)C2(CCCCC2)C(=O)N1c1ccc(Cl)cc1 ZINC000033435821 518550510 /nfs/dbraw/zinc/55/05/10/518550510.db2.gz VORSLXAWSKRTLZ-UINQJLALSA-N 0 1 401.982 5.299 50 30 HKEAMN CCCCC1S/C(=N\N=C\c2ccc(N(C)C)cc2)N(Cc2ccccc2C)C1=O ZINC000033467550 521119188 /nfs/dbraw/zinc/11/91/88/521119188.db2.gz YQUPKFFMVYWKGH-WHEZCBNMSA-N 0 1 422.598 5.085 50 30 HKEAMN O=C(C=Cc1ccccc1)C1C(=O)C(=O)N(Cc2ccco2)[C@@H]1c1cccc(Cl)c1 ZINC000033715547 527658391 /nfs/dbraw/zinc/65/83/91/527658391.db2.gz NFSBEGUMUMWDMQ-SSSWZJSRSA-N 0 1 419.864 5.111 50 30 HKEAMN O=C(C=Cc1ccccc1)C1C(=O)C(=O)N(Cc2ccco2)[C@H]1c1cccc(Cl)c1 ZINC000033715548 527658055 /nfs/dbraw/zinc/65/80/55/527658055.db2.gz NFSBEGUMUMWDMQ-GJCOWUBNSA-N 0 1 419.864 5.111 50 30 HKEAMN CCCCC1S/C(=N\N=C\c2ccc(C)cc2C)N(Cc2ccc(OC)cc2)C1=O ZINC000033766799 521252746 /nfs/dbraw/zinc/25/27/46/521252746.db2.gz PWEBKOBRFDZTTM-JYAWBRCSSA-N 0 1 423.582 5.336 50 30 HKEAMN CCC1S/C(=N\N=C\c2ccccc2OC)N(Cc2cccc3ccccc32)C1=O ZINC000033784072 523421833 /nfs/dbraw/zinc/42/18/33/523421833.db2.gz GMUAHLKPDUUAGK-JYAWBRCSSA-N 0 1 417.534 5.093 50 30 HKEAMN CCC1S/C(=N\N=C\c2ccc(OC)cc2)N(Cc2cccc3ccccc32)C1=O ZINC000033932725 523423278 /nfs/dbraw/zinc/42/32/78/523423278.db2.gz JDNUEOWPQRBVJU-JYAWBRCSSA-N 0 1 417.534 5.093 50 30 HKEAMN CCCCC1S/C(=N\N=C\c2ccc(C)cc2)N(Cc2ccc(OC)cc2)C1=O ZINC000034378481 521253069 /nfs/dbraw/zinc/25/30/69/521253069.db2.gz WTXCCRJQCPCOEX-LSIOVLHASA-N 0 1 409.555 5.028 50 30 HKEAMN Cc1ccc(/C=N/N=C2\SC(C)C(=O)N2Cc2cccc3ccccc32)c(C)c1 ZINC000034805497 525963550 /nfs/dbraw/zinc/96/35/50/525963550.db2.gz GIXWLNKBJJGFOB-ZJYJGZPJSA-N 0 1 401.535 5.311 50 30 HKEAMN COc1c2c(cc3c1[C@@H](CC(/C=C/C(C)(C)CC=C(C)C)=N/O)N(C)CC3)OCO2 ZINC000034871335 521885587 /nfs/dbraw/zinc/88/55/87/521885587.db2.gz CQQAESOLIQHLRS-ZAKZVVJWSA-N 0 1 414.546 5.112 50 30 biogenic HKEAMN N#Cc1nc(-c2cccnc2)oc1NC[C@H](c1ccccc1Cl)N1CCCCCC1 ZINC000035672593 569048554 /nfs/dbraw/zinc/04/85/54/569048554.db2.gz WOGDZFPXFNNKTE-OAQYLSRUSA-N 0 1 421.932 5.291 50 30 HKEAMN N#Cc1nc(-c2cccnc2)oc1NC[C@@H](c1ccccc1Cl)N1CCCCCC1 ZINC000035672596 569048569 /nfs/dbraw/zinc/04/85/69/569048569.db2.gz WOGDZFPXFNNKTE-NRFANRHFSA-N 0 1 421.932 5.291 50 30 HKEAMN COc1c2c(cc3c1[C@H](CC(/C=C/C(C)(C)CC=C(C)C)=N/O)N(C)CC3)OCO2 ZINC000036032934 521887863 /nfs/dbraw/zinc/88/78/63/521887863.db2.gz CQQAESOLIQHLRS-MTYCGSIFSA-N 0 1 414.546 5.112 50 30 biogenic HKEAMN CCC1S/C(=N\N=C\c2ccc(C)cc2C)N(Cc2cccc3ccccc32)C1=O ZINC000036093479 523607247 /nfs/dbraw/zinc/60/72/47/523607247.db2.gz AJDWCAPTDNGUFZ-STXSBSPXSA-N 0 1 415.562 5.701 50 30 HKEAMN CCCC1S/C(=N\N=C\c2ccccc2)N(Cc2cccc3ccccc32)C1=O ZINC000036093488 520895376 /nfs/dbraw/zinc/89/53/76/520895376.db2.gz WHXYRHUKHGMFFF-WHEZCBNMSA-N 0 1 401.535 5.474 50 30 HKEAMN CCCCC1S/C(=N\N=C\c2ccc(C)cc2C)N(Cc2ccc(OC)cc2)C1=O ZINC000036093497 521117444 /nfs/dbraw/zinc/11/74/44/521117444.db2.gz PWEBKOBRFDZTTM-MNWLEOAJSA-N 0 1 423.582 5.336 50 30 HKEAMN Cc1cc([N+](=O)[O-])cc(/C=N/c2ccc3oc(-c4ccccc4Cl)nc3c2)c1O ZINC000036108001 525555656 /nfs/dbraw/zinc/55/56/56/525555656.db2.gz BUIXOHZRDUAUAS-FOKLQQMPSA-N 0 1 407.813 5.821 50 30 HKEAMN C=CCCC(O)(CCC=C)c1ccc(CN(CCCOC)Cc2ccc(C)s2)o1 ZINC000036154595 518695670 /nfs/dbraw/zinc/69/56/70/518695670.db2.gz DJITXKAFLWTJHI-UHFFFAOYSA-N 0 1 417.615 5.808 50 30 HKEAMN C=CCC(O)(CC=C)c1ccc(CN(Cc2ccccc2)Cc2ccc(C)cc2)o1 ZINC000036157121 518688404 /nfs/dbraw/zinc/68/84/04/518688404.db2.gz WILBESAYUCWMJK-UHFFFAOYSA-N 0 1 401.550 6.130 50 30 HKEAMN C=C(C)C(O)(C(=C)C)c1ccc(CN(Cc2ccccc2)Cc2ccc(C)cc2)o1 ZINC000036157123 518587362 /nfs/dbraw/zinc/58/73/62/518587362.db2.gz WTXVPHBSXUNBOL-UHFFFAOYSA-N 0 1 401.550 6.130 50 30 HKEAMN C=CCCC(O)(CCC=C)c1ccc(CN(Cc2ccc(C)cc2)C[C@@H]2CCCO2)o1 ZINC000036157200 518698848 /nfs/dbraw/zinc/69/88/48/518698848.db2.gz FWZFMPTUIXSMRA-DEOSSOPVSA-N 0 1 423.597 5.889 50 30 HKEAMN C=CCCC(O)(CCC=C)c1ccc(CN(Cc2ccc(C)cc2)C[C@H]2CCCO2)o1 ZINC000036157204 518698458 /nfs/dbraw/zinc/69/84/58/518698458.db2.gz FWZFMPTUIXSMRA-XMMPIXPASA-N 0 1 423.597 5.889 50 30 HKEAMN C=CCCC(O)(CCC=C)c1ccc(CN(Cc2ccccc2)C[C@@H]2CCCO2)o1 ZINC000036157303 518698361 /nfs/dbraw/zinc/69/83/61/518698361.db2.gz WPVJFYFMNOSBTK-QHCPKHFHSA-N 0 1 409.570 5.581 50 30 HKEAMN C=CCCC(O)(CCC=C)c1ccc(CN(Cc2ccccc2)C[C@H]2CCCO2)o1 ZINC000036157307 518697314 /nfs/dbraw/zinc/69/73/14/518697314.db2.gz WPVJFYFMNOSBTK-HSZRJFAPSA-N 0 1 409.570 5.581 50 30 HKEAMN C=CCCC(O)(CCC=C)c1ccc(CN(Cc2ccccc2OC)[C@H](C)CC)o1 ZINC000036167803 518698878 /nfs/dbraw/zinc/69/88/78/518698878.db2.gz GKBAIEKIPLIHPO-OAQYLSRUSA-N 0 1 411.586 6.209 50 30 HKEAMN C=CCCC(O)(CCC=C)c1ccc(CN(Cc2ccccc2OC)[C@@H](C)CC)o1 ZINC000036167805 518698591 /nfs/dbraw/zinc/69/85/91/518698591.db2.gz GKBAIEKIPLIHPO-NRFANRHFSA-N 0 1 411.586 6.209 50 30 HKEAMN C=CCCC(O)(CCC=C)c1ccc(CN(Cc2ccccc2OC)CC(C)C)o1 ZINC000036167824 518697339 /nfs/dbraw/zinc/69/73/39/518697339.db2.gz USRNQMHAGJTJTA-UHFFFAOYSA-N 0 1 411.586 6.066 50 30 HKEAMN C=CCC(O)(CC=C)c1ccc(CN(Cc2cccc(OC)c2OC)CC(C)C)o1 ZINC000036202331 518687360 /nfs/dbraw/zinc/68/73/60/518687360.db2.gz XOAPRUIJJIUGBS-UHFFFAOYSA-N 0 1 413.558 5.295 50 30 HKEAMN C=CCCC(O)(CCC=C)c1ccc(CN(CCCOC)Cc2ccsc2)o1 ZINC000036202905 518696000 /nfs/dbraw/zinc/69/60/00/518696000.db2.gz QYNJFMWZEAPIHD-UHFFFAOYSA-N 0 1 403.588 5.500 50 30 HKEAMN C=CCCC(O)(CCC=C)c1ccc(CN(Cc2ccccc2C)C[C@@H]2CCCO2)o1 ZINC000036203237 518698017 /nfs/dbraw/zinc/69/80/17/518698017.db2.gz KIKHYYASSFLFQS-DEOSSOPVSA-N 0 1 423.597 5.889 50 30 HKEAMN C=CCCC(O)(CCC=C)c1ccc(CN(Cc2ccccc2C)C[C@H]2CCCO2)o1 ZINC000036203242 518698192 /nfs/dbraw/zinc/69/81/92/518698192.db2.gz KIKHYYASSFLFQS-XMMPIXPASA-N 0 1 423.597 5.889 50 30 HKEAMN C=CCC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)C(C)C ZINC000036301601 518715098 /nfs/dbraw/zinc/71/50/98/518715098.db2.gz HQMPYLWQOJPZRP-HSZRJFAPSA-N 0 1 419.569 5.511 50 30 HKEAMN C=CCC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)C(C)C ZINC000036301604 518725482 /nfs/dbraw/zinc/72/54/82/518725482.db2.gz HQMPYLWQOJPZRP-QHCPKHFHSA-N 0 1 419.569 5.511 50 30 HKEAMN C=CCC[C@@H](O)CN(CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1 ZINC000036308538 518712884 /nfs/dbraw/zinc/71/28/84/518712884.db2.gz GYVRRIPACITFNK-HSZRJFAPSA-N 0 1 419.569 5.512 50 30 HKEAMN C=CCC[C@H](O)CN(CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1 ZINC000036308541 518723440 /nfs/dbraw/zinc/72/34/40/518723440.db2.gz GYVRRIPACITFNK-QHCPKHFHSA-N 0 1 419.569 5.512 50 30 HKEAMN Cc1ccc(S(=O)(=O)C(C#N)c2nc3ccccc3nc2SC2CCCC2)cc1 ZINC000036398089 525627494 /nfs/dbraw/zinc/62/74/94/525627494.db2.gz VENQSKQQPNPZST-FQEVSTJZSA-N 0 1 423.563 5.012 50 30 HKEAMN Cc1ccc(S(=O)(=O)C(C#N)c2nc3ccccc3nc2SC2CCCC2)cc1 ZINC000036398090 525628045 /nfs/dbraw/zinc/62/80/45/525628045.db2.gz VENQSKQQPNPZST-HXUWFJFHSA-N 0 1 423.563 5.012 50 30 HKEAMN N#CC(C(=O)c1ccc(-c2nc3ccccc3s2)o1)c1ccc(C(F)(F)F)cn1 ZINC000040089631 571159682 /nfs/dbraw/zinc/15/96/82/571159682.db2.gz VRPIQDVBHUUNFK-LBPRGKRZSA-N 0 1 413.380 5.460 50 30 HKEAMN N#CC(C(=O)c1ccc(-c2nc3ccccc3s2)o1)c1ccc(C(F)(F)F)cn1 ZINC000040089632 526493729 /nfs/dbraw/zinc/49/37/29/526493729.db2.gz VRPIQDVBHUUNFK-GFCCVEGCSA-N 0 1 413.380 5.460 50 30 HKEAMN Nc1nc2ccccc2n1/C(=N/C(Cl)=C(Cl)Cl)c1ccc(Cl)cc1 ZINC000041097493 527562049 /nfs/dbraw/zinc/56/20/49/527562049.db2.gz VUEOWRJRLJPMRR-HZHRSRAPSA-N 0 1 400.096 5.410 50 30 HKEAMN CCCOC(=O)Nc1ccccc1N=C1CCCC1=Cc1ccc(Cl)cc1Cl ZINC000051329724 520213779 /nfs/dbraw/zinc/21/37/79/520213779.db2.gz YTUZPQJBKBGGLO-AJYPUEJJSA-N 0 1 417.336 7.292 50 30 HKEAMN CCC1S/C(=N\N=C\c2cccc3ccccc23)N(Cc2ccccc2C)C1=O ZINC000051366846 523606567 /nfs/dbraw/zinc/60/65/67/523606567.db2.gz WVKUJRXKEZACKK-MNWLEOAJSA-N 0 1 401.535 5.392 50 30 HKEAMN CCC1S/C(=N\N=C\c2ccc(C)cc2)N(Cc2cccc3ccccc32)C1=O ZINC000051366850 523606205 /nfs/dbraw/zinc/60/62/05/523606205.db2.gz LKQYULGPIDNFCE-MNWLEOAJSA-N 0 1 401.535 5.392 50 30 HKEAMN CCC1S/C(=N\N=C\c2ccccc2OC)N(Cc2cccc3ccccc32)C1=O ZINC000051366855 523606331 /nfs/dbraw/zinc/60/63/31/523606331.db2.gz GMUAHLKPDUUAGK-MNWLEOAJSA-N 0 1 417.534 5.093 50 30 HKEAMN CCC1S/C(=N\N=C\c2cccc3ccccc23)N(Cc2ccc(F)cc2)C1=O ZINC000051366893 523606639 /nfs/dbraw/zinc/60/66/39/523606639.db2.gz PMFKVTALUGFERM-IZNZCJHFSA-N 0 1 405.498 5.223 50 30 HKEAMN CCCC1S/C(=N\N=C\c2cccc3ccccc23)N(Cc2ccccc2C)C1=O ZINC000051366922 520895459 /nfs/dbraw/zinc/89/54/59/520895459.db2.gz MWGUENIFBORDOX-UIAIJNLVSA-N 0 1 415.562 5.782 50 30 HKEAMN CCCC1S/C(=N\N=C\c2cccs2)N(Cc2cccc3ccccc32)C1=O ZINC000051366936 520896649 /nfs/dbraw/zinc/89/66/49/520896649.db2.gz DCQBXIAHENZUTI-MJHJUBQXSA-N 0 1 407.564 5.536 50 30 HKEAMN CCCCC1S/C(=N\N=C\c2ccc(C)cc2C)N(Cc2ccccc2C)C1=O ZINC000051366970 521118902 /nfs/dbraw/zinc/11/89/02/521118902.db2.gz WCTSUQOMKZPMGE-MNWLEOAJSA-N 0 1 407.583 5.636 50 30 HKEAMN CCCCC1S/C(=N\N=C\c2ccc(OC)cc2)N(Cc2ccccc2C)C1=O ZINC000051366973 521119007 /nfs/dbraw/zinc/11/90/07/521119007.db2.gz YVUASLQDINPIKL-DZRHBTRISA-N 0 1 409.555 5.028 50 30 HKEAMN CCCCC1S/C(=N\N=C\c2ccccc2OC)N(Cc2ccccc2C)C1=O ZINC000051366979 521120757 /nfs/dbraw/zinc/12/07/57/521120757.db2.gz VRFQWUJFWUXMCH-DZRHBTRISA-N 0 1 409.555 5.028 50 30 HKEAMN CCCCC1S/C(=N\N=C\c2ccco2)N(Cc2cccc3ccccc32)C1=O ZINC000051366987 521119890 /nfs/dbraw/zinc/11/98/90/521119890.db2.gz NMXVGXJUXGIFNT-DZRHBTRISA-N 0 1 405.523 5.457 50 30 HKEAMN CCCCC1S/C(=N\N=C\c2ccc(C)cc2)N(Cc2ccc(OC)cc2)C1=O ZINC000051366993 521118419 /nfs/dbraw/zinc/11/84/19/521118419.db2.gz WTXCCRJQCPCOEX-DZRHBTRISA-N 0 1 409.555 5.028 50 30 HKEAMN CCCCC1S/C(=N\N=C\c2ccc(C)cc2C)N(Cc2ccc(F)cc2)C1=O ZINC000051367007 521119206 /nfs/dbraw/zinc/11/92/06/521119206.db2.gz CBXLGGVASYWVNZ-IZNZCJHFSA-N 0 1 411.546 5.467 50 30 HKEAMN CCCCC1S/C(=N\N=C\c2ccc(Cl)cc2)N(Cc2ccc(F)cc2)C1=O ZINC000051367009 521253157 /nfs/dbraw/zinc/25/31/57/521253157.db2.gz LOLKGDPOQFSHNT-MUESUYGVSA-N 0 1 417.937 5.503 50 30 HKEAMN Cc1cc(C(=O)[C@@H](C#N)c2ncc(C(F)(F)F)cc2Cl)c(C)n1-c1cccnc1 ZINC000059369229 558934650 /nfs/dbraw/zinc/93/46/50/558934650.db2.gz ZWBUBTICCQQSCD-INIZCTEOSA-N 0 1 418.806 5.046 50 30 HKEAMN Cc1cc(C(=O)C(C#N)c2ncc(C(F)(F)F)cc2Cl)c(C)n1-c1cccnc1 ZINC000059369229 558934653 /nfs/dbraw/zinc/93/46/53/558934653.db2.gz ZWBUBTICCQQSCD-INIZCTEOSA-N 0 1 418.806 5.046 50 30 HKEAMN Cc1cc(C(=O)[C@H](C#N)c2ncc(C(F)(F)F)cc2Cl)c(C)n1-c1cccnc1 ZINC000059369230 558934599 /nfs/dbraw/zinc/93/45/99/558934599.db2.gz ZWBUBTICCQQSCD-MRXNPFEDSA-N 0 1 418.806 5.046 50 30 HKEAMN Cc1cc(C(=O)C(C#N)c2ncc(C(F)(F)F)cc2Cl)c(C)n1-c1cccnc1 ZINC000059369230 558934601 /nfs/dbraw/zinc/93/46/01/558934601.db2.gz ZWBUBTICCQQSCD-MRXNPFEDSA-N 0 1 418.806 5.046 50 30 HKEAMN CCn1c2ccccc2c2cc(/C=N/CCc3ccc(OC(F)(F)F)cc3)ccc21 ZINC000066091311 569314512 /nfs/dbraw/zinc/31/45/12/569314512.db2.gz VBALGLZEBQLAPV-LQKURTRISA-N 0 1 410.439 6.375 50 30 HKEAMN CCC(CC)C(=O)NC(=NCCc1c[nH]c2ccccc12)Nc1ccc(OC)cc1 ZINC000066437670 568971085 /nfs/dbraw/zinc/97/10/85/568971085.db2.gz IYHVHCNYKYZWBS-UHFFFAOYSA-N 0 1 406.530 5.389 50 30 HKEAMN N#Cc1ccc(CN2CCC3(C[C@H]3c3nc(-c4cccc(Cl)c4)no3)CC2)c(F)c1 ZINC000069847707 571247020 /nfs/dbraw/zinc/24/70/20/571247020.db2.gz UHBCSNDXKTZAST-IBGZPJMESA-N 0 1 422.891 5.170 50 30 HKEAMN N#Cc1ccc(CN2CCC3(C[C@@H]3c3nc(-c4cccc(Cl)c4)no3)CC2)c(F)c1 ZINC000069847709 571246965 /nfs/dbraw/zinc/24/69/65/571246965.db2.gz UHBCSNDXKTZAST-LJQANCHMSA-N 0 1 422.891 5.170 50 30 HKEAMN CCc1nc(C(C#N)C(=O)c2sc3nc(C(F)(F)F)ccc3c2C)sc1C ZINC000071820776 569254555 /nfs/dbraw/zinc/25/45/55/569254555.db2.gz WFNATYSQLHBDPH-NSHDSACASA-N 0 1 409.458 5.441 50 30 HKEAMN CCc1nc(C(C#N)C(=O)c2sc3nc(C(F)(F)F)ccc3c2C)sc1C ZINC000071820777 569254544 /nfs/dbraw/zinc/25/45/44/569254544.db2.gz WFNATYSQLHBDPH-LLVKDONJSA-N 0 1 409.458 5.441 50 30 HKEAMN Cc1nc([C@@H]2CCCN2C(=O)Nc2cc(C#N)cn2C(C)(C)C)[nH]c1-c1ccccc1 ZINC000072305873 558762075 /nfs/dbraw/zinc/76/20/75/558762075.db2.gz KKCVAIPYKPKWDC-IBGZPJMESA-N 0 1 416.529 5.182 50 30 HKEAMN Cc1nc([C@H]2CCCN2C(=O)Nc2cc(C#N)cn2C(C)(C)C)[nH]c1-c1ccccc1 ZINC000072305874 558762103 /nfs/dbraw/zinc/76/21/03/558762103.db2.gz KKCVAIPYKPKWDC-LJQANCHMSA-N 0 1 416.529 5.182 50 30 HKEAMN N#CC1CCN(Cc2cc3cc4c(cc3nc2-c2ccc(Cl)cc2)OCO4)CC1 ZINC000072410375 558977420 /nfs/dbraw/zinc/97/74/20/558977420.db2.gz WSBNHUNBAUJVFQ-UHFFFAOYSA-N 0 1 405.885 5.019 50 30 HKEAMN COc1cc2cc(CN3CCC(C#N)CC3)c(-c3cccc(Cl)c3)nc2cc1OC ZINC000072433338 558979671 /nfs/dbraw/zinc/97/96/71/558979671.db2.gz KMEFVDXUCAFETP-UHFFFAOYSA-N 0 1 421.928 5.308 50 30 HKEAMN N#Cc1ccc(COCC2CCN(Cc3csc(-c4ccccc4)n3)CC2)cc1 ZINC000077191703 571312301 /nfs/dbraw/zinc/31/23/01/571312301.db2.gz NERJFULBZNQASE-UHFFFAOYSA-N 0 1 403.551 5.111 50 30 HKEAMN COc1ccc([C@@H](C(=O)NC2CCCC2)N2CCC(Cc3ccccc3)CC2)cc1 ZINC000082138216 568822283 /nfs/dbraw/zinc/82/22/83/568822283.db2.gz XVPYZASBCYJBQZ-VWLOTQADSA-N 0 1 406.570 5.590 50 30 HKEAMN COc1ccc([C@H](C(=O)NC2CCCC2)N2CCC(Cc3ccccc3)CC2)cc1 ZINC000082138217 568822340 /nfs/dbraw/zinc/82/23/40/568822340.db2.gz XVPYZASBCYJBQZ-RUZDIDTESA-N 0 1 406.570 5.590 50 30 HKEAMN O=C1Nc2ccccc2[C@@H]1Cc1ccc(/N=C/c2cc(Cl)cc(Cl)c2O)cc1 ZINC000083333850 559051995 /nfs/dbraw/zinc/05/19/95/559051995.db2.gz SHQKYUAAGDCTNR-SAMQYFKISA-N 0 1 411.288 5.728 50 30 HKEAMN N#CC(C(=O)c1ccc(-c2cccc(Cl)c2)s1)c1ccc(C(F)(F)F)cn1 ZINC000084368074 568947658 /nfs/dbraw/zinc/94/76/58/568947658.db2.gz UHBZOIZCLLRTTG-AWEZNQCLSA-N 0 1 406.816 5.972 50 30 HKEAMN N#CC(C(=O)c1ccc(-c2cccc(Cl)c2)s1)c1ccc(C(F)(F)F)cn1 ZINC000084368078 568947594 /nfs/dbraw/zinc/94/75/94/568947594.db2.gz UHBZOIZCLLRTTG-CQSZACIVSA-N 0 1 406.816 5.972 50 30 HKEAMN N#C[C@@H](C(=O)c1sc2cc(C(F)(F)F)ccc2c1Cl)c1nc2ccccc2[nH]1 ZINC000084583255 568951515 /nfs/dbraw/zinc/95/15/15/568951515.db2.gz RAQTZOIZUGXPPY-NSHDSACASA-N 0 1 419.815 5.940 50 30 HKEAMN N#CC(C(=O)c1sc2cc(C(F)(F)F)ccc2c1Cl)c1nc2ccccc2[nH]1 ZINC000084583255 568951516 /nfs/dbraw/zinc/95/15/16/568951516.db2.gz RAQTZOIZUGXPPY-NSHDSACASA-N 0 1 419.815 5.940 50 30 HKEAMN N#C[C@H](C(=O)c1sc2cc(C(F)(F)F)ccc2c1Cl)c1nc2ccccc2[nH]1 ZINC000084583257 568951492 /nfs/dbraw/zinc/95/14/92/568951492.db2.gz RAQTZOIZUGXPPY-LLVKDONJSA-N 0 1 419.815 5.940 50 30 HKEAMN N#CC(C(=O)c1sc2cc(C(F)(F)F)ccc2c1Cl)c1nc2ccccc2[nH]1 ZINC000084583257 568951493 /nfs/dbraw/zinc/95/14/93/568951493.db2.gz RAQTZOIZUGXPPY-LLVKDONJSA-N 0 1 419.815 5.940 50 30 HKEAMN Cc1ccc(/N=C/c2cc(Br)cc(Br)c2O)cc1Cl ZINC000086040462 525968986 /nfs/dbraw/zinc/96/89/86/525968986.db2.gz VRAKEYOBIXUYIH-CNHKJKLMSA-N 0 1 403.501 5.630 50 30 HKEAMN Oc1c(Br)cc(Br)cc1/C=N/c1cc(Cl)ccc1Cl ZINC000086040682 559058397 /nfs/dbraw/zinc/05/83/97/559058397.db2.gz XCDUZVKYOVVIMM-NGYBGAFCSA-N 0 1 423.919 5.975 50 30 HKEAMN Oc1c(Br)cc(Br)cc1/C=N/c1ccc(Cl)c(Cl)c1 ZINC000086040686 526323197 /nfs/dbraw/zinc/32/31/97/526323197.db2.gz ICGLTAIUFHRTBT-NGYBGAFCSA-N 0 1 423.919 5.975 50 30 HKEAMN Oc1c(Br)cc(Br)cc1/C=N/c1cc(Cl)cc(Cl)c1 ZINC000086040689 559058392 /nfs/dbraw/zinc/05/83/92/559058392.db2.gz ZYYZMKSZEIQBQC-NGYBGAFCSA-N 0 1 423.919 5.975 50 30 HKEAMN C=CCOc1cccc(NC(=O)N2CCC[C@H]2c2nc(C)c(-c3ccccc3)[nH]2)c1 ZINC000095408501 568606343 /nfs/dbraw/zinc/60/63/43/568606343.db2.gz DUCNIANLLMVVRU-NRFANRHFSA-N 0 1 402.498 5.319 50 30 HKEAMN C=CCOc1cccc(NC(=O)N2CCC[C@@H]2c2nc(C)c(-c3ccccc3)[nH]2)c1 ZINC000095408502 568606340 /nfs/dbraw/zinc/60/63/40/568606340.db2.gz DUCNIANLLMVVRU-OAQYLSRUSA-N 0 1 402.498 5.319 50 30 HKEAMN Cc1ccc(Cn2cccc2CN(Cc2ccccc2C#N)CC2CCCCC2)cc1 ZINC000096299916 568723268 /nfs/dbraw/zinc/72/32/68/568723268.db2.gz USUIVIBAPAAHGC-UHFFFAOYSA-N 0 1 411.593 6.299 50 30 HKEAMN Oc1c(Cl)cc(Cl)cc1/C=N/c1ccc2c(ccc3c4ccccc4ccc23)c1 ZINC000096425648 559110195 /nfs/dbraw/zinc/11/01/95/559110195.db2.gz AXZFIFAFQZAUAT-CCVNUDIWSA-N 0 1 416.307 7.909 50 30 HKEAMN CCCCCCCCCCCCCCCCCCNC=C1C(=O)NC(=O)NC1=O ZINC000097949435 558983671 /nfs/dbraw/zinc/98/36/71/558983671.db2.gz DKXRNWGDXZQRBO-UHFFFAOYSA-N 0 1 407.599 5.087 50 30 HKEAMN C=CCCCCCCCCc1nnc(SCCCCCCCCCCCC)[nH]1 ZINC000097952015 558863677 /nfs/dbraw/zinc/86/36/77/558863677.db2.gz NXPMHWSSWAPJML-UHFFFAOYSA-N 0 1 407.712 8.277 50 30 HKEAMN C=CCCCCCCCCc1n[nH]c(SCCCCCCCCCCCC)n1 ZINC000097952015 558863679 /nfs/dbraw/zinc/86/36/79/558863679.db2.gz NXPMHWSSWAPJML-UHFFFAOYSA-N 0 1 407.712 8.277 50 30 HKEAMN CCCCCCCCCCCCCCCCCCN[C@H]1c2ccccc2N(C)C1=O ZINC000097973086 558998039 /nfs/dbraw/zinc/99/80/39/558998039.db2.gz FZERTAREUVXWKE-SANMLTNESA-N 0 1 414.678 7.555 50 30 HKEAMN CCCCCCCOc1nc2ccccc2nc1C(C#N)S(=O)(=O)c1ccccc1 ZINC000097983543 559005046 /nfs/dbraw/zinc/00/50/46/559005046.db2.gz KJISQDPXFXDOSZ-OAQYLSRUSA-N 0 1 423.538 5.018 50 30 HKEAMN CCCCCCCOc1nc2ccccc2nc1C(C#N)S(=O)(=O)c1ccccc1 ZINC000097983544 559005060 /nfs/dbraw/zinc/00/50/60/559005060.db2.gz KJISQDPXFXDOSZ-NRFANRHFSA-N 0 1 423.538 5.018 50 30 HKEAMN CCCCCCC[C@@](O)(c1ccc(CC)cc1)[C@@H](CN1CCOCC1)c1ccccc1 ZINC000098048986 559033050 /nfs/dbraw/zinc/03/30/50/559033050.db2.gz NSXQMHDRZLIFNJ-WUFINQPMSA-N 0 1 423.641 5.913 50 30 HKEAMN CCCCCCC[C@](O)(c1ccc(CC)cc1)[C@@H](CN1CCOCC1)c1ccccc1 ZINC000098048987 559033031 /nfs/dbraw/zinc/03/30/31/559033031.db2.gz NSXQMHDRZLIFNJ-NSOVKSMOSA-N 0 1 423.641 5.913 50 30 HKEAMN CCCCCCC[C@@](O)(c1ccc(CC)cc1)[C@H](CN1CCOCC1)c1ccccc1 ZINC000098048988 559033044 /nfs/dbraw/zinc/03/30/44/559033044.db2.gz NSXQMHDRZLIFNJ-VSGBNLITSA-N 0 1 423.641 5.913 50 30 HKEAMN CCCCCCC[C@](O)(c1ccc(CC)cc1)[C@H](CN1CCOCC1)c1ccccc1 ZINC000098048989 559033040 /nfs/dbraw/zinc/03/30/40/559033040.db2.gz NSXQMHDRZLIFNJ-IZLXSDGUSA-N 0 1 423.641 5.913 50 30 HKEAMN COc1cc(/N=C/c2cc(Cl)cc(Cl)c2O)ccc1NC(=O)c1ccco1 ZINC000098086863 559065181 /nfs/dbraw/zinc/06/51/81/559065181.db2.gz UZFHFBWCIRTQKX-LSHDLFTRSA-N 0 1 405.237 5.304 50 30 HKEAMN Cc1ccc(Sc2[nH]c(-c3ccccc3)nc2C=Nc2ccc(Cl)cc2)cc1 ZINC000100143803 559163867 /nfs/dbraw/zinc/16/38/67/559163867.db2.gz MKTAEBJPTZVHNP-MFKUBSTISA-N 0 1 403.938 6.940 50 30 HKEAMN CCCCC(=O)NC(Nc1ccc(C(F)(F)F)cc1)(C(F)(F)F)C(F)(F)F ZINC000100228505 559179672 /nfs/dbraw/zinc/17/96/72/559179672.db2.gz BXKITFZNQXPQEM-UHFFFAOYSA-N 0 1 410.280 5.245 50 30 HKEAMN Oc1c(Cl)cc(Cl)cc1/C=N/c1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000100254881 559133403 /nfs/dbraw/zinc/13/34/03/559133403.db2.gz FCDMWLMIIPFPSQ-YSURURNPSA-N 0 1 419.230 5.305 50 30 HKEAMN CCOc1ccc(NN=C2C=CC(=O)C(C=[NH+][N-]c3ccc([N+](=O)[O-])cc3)=C2)cc1 ZINC000100450828 559135506 /nfs/dbraw/zinc/13/55/06/559135506.db2.gz SNUXMOSHSNHEEG-BTRCZGFISA-N 0 1 405.414 5.561 50 30 HKEAMN Oc1c(Br)cc(Br)cc1/C=N/c1ccc2ccccc2c1 ZINC000100454432 559135443 /nfs/dbraw/zinc/13/54/43/559135443.db2.gz OTJPZIDQNYBBAT-KEBDBYFISA-N 0 1 405.089 5.821 50 30 HKEAMN Oc1c(Br)cc(Br)cc1/C=N/c1ccc(C(F)(F)F)cc1 ZINC000100454435 559202785 /nfs/dbraw/zinc/20/27/85/559202785.db2.gz MSJGEOJNRDBOGI-IFRROFPPSA-N 0 1 423.026 5.687 50 30 HKEAMN Cc1cc2nc(-c3cc(/N=C/c4ccc(Cl)c([N+](=O)[O-])c4)ccc3O)oc2c(C)c1 ZINC000100502816 525665607 /nfs/dbraw/zinc/66/56/07/525665607.db2.gz GTPVNJPXUYMCLI-BHGWPJFGSA-N 0 1 421.840 6.129 50 30 HKEAMN C=CCOc1c(Cl)cc(Cc2c(C)[nH]n(-c3ccc(CC)cc3)c2=O)cc1OC ZINC000100579717 559231906 /nfs/dbraw/zinc/23/19/06/559231906.db2.gz HGJFCOZROPSTLC-LJQANCHMSA-N 0 1 412.917 5.057 50 30 HKEAMN Cc1ccccc1NC(=O)c1cc2ccccc2c(/C=N/c2ccccc2Cl)c1O ZINC000100625083 559244909 /nfs/dbraw/zinc/24/49/09/559244909.db2.gz QUNIAGQZWWNOOV-JFLMPSFJSA-N 0 1 414.892 6.510 50 30 HKEAMN CCCCCCCCCCCCNC(=S)SCC(=O)N(CCC#N)CCC#N ZINC000100684578 569013033 /nfs/dbraw/zinc/01/30/33/569013033.db2.gz SFQMFWURNXPDIL-UHFFFAOYSA-N 0 1 424.680 5.171 50 30 HKEAMN CCCCCCCCCC[NH2+][C@H](c1ccccc1)C1=C([O-])C(=O)c2ccccc2C1=O ZINC000100971685 569013124 /nfs/dbraw/zinc/01/31/24/569013124.db2.gz JRMQEQBMAPHMJK-XMMPIXPASA-N 0 1 419.565 6.349 50 30 HKEAMN CCCCCCCCCC[NH2+][C@@H](c1ccccc1)C1=C([O-])C(=O)c2ccccc2C1=O ZINC000100971688 569013136 /nfs/dbraw/zinc/01/31/36/569013136.db2.gz JRMQEQBMAPHMJK-DEOSSOPVSA-N 0 1 419.565 6.349 50 30 HKEAMN Oc1c(Br)cc(Br)cc1/C=N/c1nc2c(s1)CCCC2 ZINC000101017576 559142723 /nfs/dbraw/zinc/14/27/23/559142723.db2.gz KAMPJJBCFMYXJZ-REZTVBANSA-N 0 1 416.138 5.003 50 30 HKEAMN CCCCCCCCOC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccccc1Cl ZINC000101284788 560790586 /nfs/dbraw/zinc/79/05/86/560790586.db2.gz NLEQXPOJYQCORY-LJQANCHMSA-N 0 1 402.926 5.124 50 30 HKEAMN CCCCCCCCOC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccccc1Cl ZINC000101284790 560790609 /nfs/dbraw/zinc/79/06/09/560790609.db2.gz NLEQXPOJYQCORY-IBGZPJMESA-N 0 1 402.926 5.124 50 30 HKEAMN CC(C)(C)/N=C1\[C@@H](N2CCCC2)C2(CCCCC2)C(=S)N1c1ccccc1Cl ZINC000101377315 568417946 /nfs/dbraw/zinc/41/79/46/568417946.db2.gz PXABEAPOSSYLLI-ZBCDYPQOSA-N 0 1 418.050 6.099 50 30 HKEAMN CC(=O)C(C(C)=O)c1cc(Nc2ccc(C)cc2)c2c3c1noc3-c1ccccc1C2=O ZINC000101403982 560793928 /nfs/dbraw/zinc/79/39/28/560793928.db2.gz YDYCRGQNDZNQFH-NHFJDJAPSA-N 0 1 424.456 5.307 50 30 HKEAMN O=C(Nc1cc(Cl)ccc1Cl)C(N=Nc1ccccc1)C(=O)c1ccccc1 ZINC000101426321 560794222 /nfs/dbraw/zinc/79/42/22/560794222.db2.gz KYFHFSDDSSLPNX-LGUFXXKBSA-N 0 1 412.276 5.283 50 30 HKEAMN CCCCCCC[C@@](O)(c1ccc(O)cc1)[C@@H](CN1CCOCC1)c1ccccc1 ZINC000101470915 560796820 /nfs/dbraw/zinc/79/68/20/560796820.db2.gz PGLSYOPXEAQHLU-IZZNHLLZSA-N 0 1 411.586 5.056 50 30 HKEAMN CCCCCCC[C@](O)(c1ccc(O)cc1)[C@@H](CN1CCOCC1)c1ccccc1 ZINC000101470917 560796792 /nfs/dbraw/zinc/79/67/92/560796792.db2.gz PGLSYOPXEAQHLU-UIOOFZCWSA-N 0 1 411.586 5.056 50 30 HKEAMN CCCCCCC[C@@](O)(c1ccc(O)cc1)[C@H](CN1CCOCC1)c1ccccc1 ZINC000101470920 560796812 /nfs/dbraw/zinc/79/68/12/560796812.db2.gz PGLSYOPXEAQHLU-CLJLJLNGSA-N 0 1 411.586 5.056 50 30 HKEAMN CCCCCCC[C@](O)(c1ccc(O)cc1)[C@H](CN1CCOCC1)c1ccccc1 ZINC000101470922 560796801 /nfs/dbraw/zinc/79/68/01/560796801.db2.gz PGLSYOPXEAQHLU-FTJBHMTQSA-N 0 1 411.586 5.056 50 30 HKEAMN CCCCCCC[C@@](O)(c1ccc(F)cc1)[C@@H](CN1CCOCC1)c1ccccc1 ZINC000101471058 560796807 /nfs/dbraw/zinc/79/68/07/560796807.db2.gz DKNPXZLVUAOLGN-IZZNHLLZSA-N 0 1 413.577 5.490 50 30 HKEAMN CCCCCCC[C@](O)(c1ccc(F)cc1)[C@@H](CN1CCOCC1)c1ccccc1 ZINC000101471063 560796831 /nfs/dbraw/zinc/79/68/31/560796831.db2.gz DKNPXZLVUAOLGN-UIOOFZCWSA-N 0 1 413.577 5.490 50 30 HKEAMN CCCCCCC[C@@](O)(c1ccc(F)cc1)[C@H](CN1CCOCC1)c1ccccc1 ZINC000101471065 560796797 /nfs/dbraw/zinc/79/67/97/560796797.db2.gz DKNPXZLVUAOLGN-CLJLJLNGSA-N 0 1 413.577 5.490 50 30 HKEAMN CCCCCCC[C@](O)(c1ccc(F)cc1)[C@H](CN1CCOCC1)c1ccccc1 ZINC000101471069 560796824 /nfs/dbraw/zinc/79/68/24/560796824.db2.gz DKNPXZLVUAOLGN-FTJBHMTQSA-N 0 1 413.577 5.490 50 30 HKEAMN CCCCCCCCCCCCCCCCCCN[C@@H]1c2ccccc2N(C)C1=O ZINC000102194532 569034642 /nfs/dbraw/zinc/03/46/42/569034642.db2.gz FZERTAREUVXWKE-AREMUKBSSA-N 0 1 414.678 7.555 50 30 HKEAMN COc1cc([N+](=O)[O-])cc(/C=N/c2ccc3nc(-c4ccc(C)cc4)oc3c2)c1O ZINC000102417462 559150353 /nfs/dbraw/zinc/15/03/53/559150353.db2.gz QFVWFSHTIUEMRY-FSJBWODESA-N 0 1 403.394 5.176 50 30 HKEAMN COc1cc([N+](=O)[O-])cc(/C=N/c2ccc3nc(-c4cccc(C)c4)oc3c2)c1O ZINC000102417497 559150350 /nfs/dbraw/zinc/15/03/50/559150350.db2.gz QXKIZSZXFKKBQL-FSJBWODESA-N 0 1 403.394 5.176 50 30 HKEAMN COc1cc([N+](=O)[O-])cc(/C=N/c2ccc3nc(-c4ccccc4C)oc3c2)c1O ZINC000102417530 559150393 /nfs/dbraw/zinc/15/03/93/559150393.db2.gz XDPALDULJAQMEA-FSJBWODESA-N 0 1 403.394 5.176 50 30 HKEAMN COc1cc(Br)ccc1/N=C/c1cc(Br)cc(Cl)c1O ZINC000102423462 522030422 /nfs/dbraw/zinc/03/04/22/522030422.db2.gz ZLPNGONMNQOIGP-CNHKJKLMSA-N 0 1 419.500 5.330 50 30 HKEAMN O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1F ZINC000102511355 560815102 /nfs/dbraw/zinc/81/51/02/560815102.db2.gz CGFCLQAGMNWYRE-JBCNATCCSA-N 0 1 421.855 5.101 50 30 HKEAMN O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N(Cc2ccccc2)[C@H]1c1ccccc1F ZINC000102511365 526955715 /nfs/dbraw/zinc/95/57/15/526955715.db2.gz CGFCLQAGMNWYRE-MRJHHRETSA-N 0 1 421.855 5.101 50 30 HKEAMN CC(=O)C(C(C)=O)c1cc(Nc2cccc(C)c2)c2c3c1noc3-c1ccccc1C2=O ZINC000102516083 560815468 /nfs/dbraw/zinc/81/54/68/560815468.db2.gz RUQPXVCQUKFKSX-NHFJDJAPSA-N 0 1 424.456 5.307 50 30 HKEAMN CCOC(=O)c1c(C)c(C)sc1/N=C/c1cc(Br)cc(Cl)c1O ZINC000102544348 560814589 /nfs/dbraw/zinc/81/45/89/560814589.db2.gz KOEITPZMHZSCAG-FBCYGCLPSA-N 0 1 416.724 5.414 50 30 HKEAMN CCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(OC)cc1 ZINC000102569521 560816603 /nfs/dbraw/zinc/81/66/03/560816603.db2.gz NXMOXMNEZFBRCY-HOGKFDNTSA-N 0 1 407.510 5.006 50 30 HKEAMN CCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(OC)cc1 ZINC000102569529 560816620 /nfs/dbraw/zinc/81/66/20/560816620.db2.gz NXMOXMNEZFBRCY-MOBKVPTQSA-N 0 1 407.510 5.006 50 30 HKEAMN CCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(C)cc2)[C@H]1c1cccc(OC)c1 ZINC000102574837 560816707 /nfs/dbraw/zinc/81/67/07/560816707.db2.gz OENPMZABHUKSMV-HOGKFDNTSA-N 0 1 407.510 5.006 50 30 HKEAMN CCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(C)cc2)[C@@H]1c1cccc(OC)c1 ZINC000102574842 560816681 /nfs/dbraw/zinc/81/66/81/560816681.db2.gz OENPMZABHUKSMV-MOBKVPTQSA-N 0 1 407.510 5.006 50 30 HKEAMN CCCCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000102596255 560817676 /nfs/dbraw/zinc/81/76/76/560817676.db2.gz AYZRNULSKILFQY-SELCWUDQSA-N 0 1 404.293 5.215 50 30 HKEAMN CCCCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000102596261 560817647 /nfs/dbraw/zinc/81/76/47/560817647.db2.gz AYZRNULSKILFQY-GHNGSUTGSA-N 0 1 404.293 5.215 50 30 HKEAMN CCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(N(C)C)cc1 ZINC000102612744 560818005 /nfs/dbraw/zinc/81/80/05/560818005.db2.gz MNHGMOPQHDUKSV-ZHHPLPSFSA-N 0 1 420.553 5.063 50 30 HKEAMN CCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(N(C)C)cc1 ZINC000102612750 569040894 /nfs/dbraw/zinc/04/08/94/569040894.db2.gz MNHGMOPQHDUKSV-AYWGPLOBSA-N 0 1 420.553 5.063 50 30 HKEAMN CCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(C(C)C)cc1 ZINC000102625000 560818433 /nfs/dbraw/zinc/81/84/33/560818433.db2.gz SOVSBXVVBYSGGG-SBXHHDGASA-N 0 1 419.565 6.120 50 30 HKEAMN CCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(C(C)C)cc1 ZINC000102625005 560818441 /nfs/dbraw/zinc/81/84/41/560818441.db2.gz SOVSBXVVBYSGGG-NXLSWJSLSA-N 0 1 419.565 6.120 50 30 HKEAMN CCCCCCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@H]1c1ccc(C(C)C)cc1 ZINC000102801071 560828595 /nfs/dbraw/zinc/82/85/95/560828595.db2.gz OXRHTNKFQLHOGB-ZHHPLPSFSA-N 0 1 405.538 5.812 50 30 HKEAMN CCCCCCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@@H]1c1ccc(C(C)C)cc1 ZINC000102801073 560828603 /nfs/dbraw/zinc/82/86/03/560828603.db2.gz OXRHTNKFQLHOGB-AYWGPLOBSA-N 0 1 405.538 5.812 50 30 HKEAMN CCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000102802560 560828871 /nfs/dbraw/zinc/82/88/71/560828871.db2.gz BUUINLUUDZGCIG-JBCNATCCSA-N 0 1 411.929 5.650 50 30 HKEAMN CCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000102802563 560828887 /nfs/dbraw/zinc/82/88/87/560828887.db2.gz BUUINLUUDZGCIG-MRJHHRETSA-N 0 1 411.929 5.650 50 30 HKEAMN CC[C@@H]1CS/C(=N\CCc2ccc(OC)cc2)N1Cc1ccc(Cl)cc1Cl ZINC000102887174 569042179 /nfs/dbraw/zinc/04/21/79/569042179.db2.gz FBZCYYWMUUGVCJ-GOTYSUTNSA-N 0 1 423.409 5.928 50 30 HKEAMN CC[C@H]1CS/C(=N\CCc2ccc(OC)cc2)N1Cc1ccc(Cl)cc1Cl ZINC000102887175 569042177 /nfs/dbraw/zinc/04/21/77/569042177.db2.gz FBZCYYWMUUGVCJ-YQMDHOPXSA-N 0 1 423.409 5.928 50 30 HKEAMN CCCCCCCCCCOCn1c2ccccc2n(Cc2ccc(C)cc2)c1=N ZINC000102975297 559153984 /nfs/dbraw/zinc/15/39/84/559153984.db2.gz PEDKHJGDDPMZHC-UHFFFAOYSA-N 0 1 407.602 6.394 50 30 HKEAMN Oc1cc(/N=C/c2cccc(-c3ccccc3)c2O)ccc1-c1nc2ccccc2s1 ZINC000103760692 559156936 /nfs/dbraw/zinc/15/69/36/559156936.db2.gz XVGFCRIBFHWZKU-JVWAILMASA-N 0 1 422.509 6.792 50 30 HKEAMN CC(=Nc1ccc(C)cc1)C1C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1 ZINC000104140402 560848531 /nfs/dbraw/zinc/84/85/31/560848531.db2.gz PPHZYYVLORFXLB-KOEQRZSOSA-N 0 1 412.449 5.602 50 30 HKEAMN C[C@@H]1CCC[C@@H](Nc2c(-c3ccc(Br)cc3)[nH]c3c(C#N)cnn23)[C@H]1C ZINC000106886717 560894014 /nfs/dbraw/zinc/89/40/14/560894014.db2.gz XGTILTXDTPIMMX-IIYDPXPESA-N 0 1 412.335 5.200 50 30 HKEAMN C[C@@H]1CCC[C@H](Nc2c(-c3ccc(Br)cc3)[nH]c3c(C#N)cnn23)[C@H]1C ZINC000106886720 560893957 /nfs/dbraw/zinc/89/39/57/560893957.db2.gz XGTILTXDTPIMMX-IGCXYCKISA-N 0 1 412.335 5.200 50 30 HKEAMN C=CCc1cccc([C@H]2CC(c3c(O)cc(C)oc3=O)=Nc3ccccc3S2)c1O ZINC000138449771 569108281 /nfs/dbraw/zinc/10/82/81/569108281.db2.gz MLAKCTSXSCGKRN-OAQYLSRUSA-N 0 1 419.502 5.446 50 30 HKEAMN C=CCc1cccc([C@@H]2CC(c3c(O)cc(C)oc3=O)=Nc3ccccc3S2)c1O ZINC000198855235 569318915 /nfs/dbraw/zinc/31/89/15/569318915.db2.gz MLAKCTSXSCGKRN-NRFANRHFSA-N 0 1 419.502 5.446 50 30 HKEAMN COc1cc([N+](=O)[O-])cc(/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1O ZINC000223246661 568542487 /nfs/dbraw/zinc/54/24/87/568542487.db2.gz FGSRVCHZKUZPDW-AFUMVMLFSA-N 0 1 406.482 5.527 50 30 HKEAMN Oc1c(Cl)cc(Cl)cc1/C=N/c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000225387553 568633266 /nfs/dbraw/zinc/63/32/66/568633266.db2.gz AOQKFPNHBHZHGS-LGJNPRDNSA-N 0 1 400.349 6.917 50 30 HKEAMN C=C(C)CN(Cc1c[nH]nc1-c1ccccc1F)Cc1c[nH]nc1-c1ccccc1F ZINC000225503630 559271973 /nfs/dbraw/zinc/27/19/73/559271973.db2.gz GEJDMEQARXGYLM-UHFFFAOYSA-N 0 1 419.479 5.323 50 30 HKEAMN C(=NN1CCN(C2c3ccccc3-c3ccccc32)CC1)c1cccc2ccccc12 ZINC000244574908 569370169 /nfs/dbraw/zinc/37/01/69/569370169.db2.gz CTGXXIUKDMUJTI-UHFFFAOYSA-N 0 1 403.529 5.561 50 30 HKEAMN Clc1cccc(Cl)c1C=NN1CCN(C2c3ccccc3-c3ccccc32)CC1 ZINC000244659869 569370164 /nfs/dbraw/zinc/37/01/64/569370164.db2.gz HKDDOHWQQLCMJP-UHFFFAOYSA-N 0 1 422.359 5.715 50 30 HKEAMN Clc1cccc(C=NN2CCN(C3c4ccccc4-c4ccccc43)CC2)c1Cl ZINC000244678800 569370194 /nfs/dbraw/zinc/37/01/94/569370194.db2.gz IKORQPYEYPAXPM-UHFFFAOYSA-N 0 1 422.359 5.715 50 30 HKEAMN FC(F)(F)c1ccc(C=NN2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1 ZINC000244742082 569370211 /nfs/dbraw/zinc/37/02/11/569370211.db2.gz OBMMSIXSLVUGHO-UHFFFAOYSA-N 0 1 421.466 5.427 50 30 HKEAMN Fc1cccc(Cl)c1C=NN1CCN(C2c3ccccc3-c3ccccc32)CC1 ZINC000244872959 569370176 /nfs/dbraw/zinc/37/01/76/569370176.db2.gz WHMCFPMZCXITMW-UHFFFAOYSA-N 0 1 405.904 5.201 50 30 HKEAMN C[C@H]1CCCC[N@H+]1Cc1c2c(ccc1[O-])C(=O)/C(=C/C1=Cc3ccccc3O[C@H]1C)O2 ZINC000245241975 569370479 /nfs/dbraw/zinc/37/04/79/569370479.db2.gz VLNUFZKTWCXVTO-FWTKZUDYSA-N 0 1 417.505 5.090 50 30 biogenic HKEAMN C[C@@H]1CCCC[N@H+]1Cc1c2c(ccc1[O-])C(=O)/C(=C/C1=Cc3ccccc3O[C@H]1C)O2 ZINC000245241976 569370467 /nfs/dbraw/zinc/37/04/67/569370467.db2.gz VLNUFZKTWCXVTO-LKPXGQAVSA-N 0 1 417.505 5.090 50 30 biogenic HKEAMN CCCOc1ccc(C=NN2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1 ZINC000245318909 569370572 /nfs/dbraw/zinc/37/05/72/569370572.db2.gz XGOGLOWKTNVKDQ-UHFFFAOYSA-N 0 1 411.549 5.197 50 30 HKEAMN Cl/C(C=NN1CCN(C2c3ccccc3-c3ccccc32)CC1)=C\c1ccccc1 ZINC000252429342 569285325 /nfs/dbraw/zinc/28/53/25/569285325.db2.gz FJAHAMZVQINZKB-FFROYRAFSA-N 0 1 413.952 5.640 50 30 HKEAMN Clc1ccc(C=NN2CCN(C3c4ccccc4-c4ccccc43)CC2)c(Cl)c1 ZINC000252429420 569285327 /nfs/dbraw/zinc/28/53/27/569285327.db2.gz MCNKNEUWFPOBKM-UHFFFAOYSA-N 0 1 422.359 5.715 50 30 HKEAMN CCN(CC)c1ccc(C=[NH+]N2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)cc1 ZINC000252429450 569285387 /nfs/dbraw/zinc/28/53/87/569285387.db2.gz QMUHYNPZSXIMDG-UHFFFAOYSA-N 0 1 424.592 5.254 50 30 HKEAMN COc1ccccc1/C=C\C=NN1CCN(C2c3ccccc3-c3ccccc32)CC1 ZINC000252429478 569285329 /nfs/dbraw/zinc/28/53/29/569285329.db2.gz TZGWMQUPMCHRJQ-QDQOTWJTSA-N 0 1 409.533 5.082 50 30 HKEAMN Cc1ccc(N=Cc2cc(Cl)cc(Cl)c2O)cc1I ZINC000252460335 569286632 /nfs/dbraw/zinc/28/66/32/569286632.db2.gz DPPNONANRLGISL-UHFFFAOYSA-N 0 1 406.050 5.363 50 30 HKEAMN Oc1c(Cl)cc(Cl)cc1C=Nc1cc(C(F)(F)F)ccc1N1CCCCC1 ZINC000252462607 569287007 /nfs/dbraw/zinc/28/70/07/569287007.db2.gz UTLWRMKKFFXXCR-UHFFFAOYSA-N 0 1 417.258 6.459 50 30 HKEAMN Cc1nn(-c2ccccn2)c2c1C(=Nc1ccccc1)C(C=Nc1ccccc1)CC2 ZINC000252589856 569295031 /nfs/dbraw/zinc/29/50/31/569295031.db2.gz AODVQMYHOKJYRV-MJPBPKILSA-N 0 1 405.505 5.639 50 30 HKEAMN Cc1nn(-c2ccccn2)c2c1C(=Nc1ccccc1)C(C=Nc1ccccc1)CC2 ZINC000252589859 569295015 /nfs/dbraw/zinc/29/50/15/569295015.db2.gz AODVQMYHOKJYRV-OEZJWICMSA-N 0 1 405.505 5.639 50 30 HKEAMN C(=Nc1ccc(-c2nc3ccc(N=Cc4ccccc4)cc3[nH]2)cc1)c1ccccc1 ZINC000252591107 569295568 /nfs/dbraw/zinc/29/55/68/569295568.db2.gz AXQXABFBLHXYOX-UHFFFAOYSA-N 0 1 400.485 6.731 50 30 HKEAMN O=[N+]([O-])c1cc2c(cc1C=Nc1ccc(O)c(-c3nc4ccccc4s3)c1)OCO2 ZINC000252591883 569295641 /nfs/dbraw/zinc/29/56/41/569295641.db2.gz BCSOZKAPLOVBAT-UHFFFAOYSA-N 0 1 419.418 5.056 50 30 HKEAMN CCOc1cc([N+](=O)[O-])cc(C=Nc2ccc3oc(-c4ccccc4)nc3c2)c1O ZINC000252595057 569296454 /nfs/dbraw/zinc/29/64/54/569296454.db2.gz BYCRXZDLYQCUQV-UHFFFAOYSA-N 0 1 403.394 5.258 50 30 HKEAMN Oc1c(Cl)cc(Cl)cc1C=Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000252601729 569296928 /nfs/dbraw/zinc/29/69/28/569296928.db2.gz FCDMWLMIIPFPSQ-UHFFFAOYSA-N 0 1 419.230 5.305 50 30 HKEAMN Cc1ccc2cc(N=Cc3cc(Br)cc(Br)c3O)ccc2n1 ZINC000252605099 569297376 /nfs/dbraw/zinc/29/73/76/569297376.db2.gz GFGGCMAFDJJEQX-UHFFFAOYSA-N 0 1 420.104 5.524 50 30 HKEAMN Cc1cc2nc(-c3cc(N=Cc4ccc(Cl)c([N+](=O)[O-])c4)ccc3O)oc2c(C)c1 ZINC000252606600 569297465 /nfs/dbraw/zinc/29/74/65/569297465.db2.gz GTPVNJPXUYMCLI-UHFFFAOYSA-N 0 1 421.840 6.129 50 30 HKEAMN COc1ccc(C=Nc2ccc(O)c(-c3nc4ccccc4o3)c2)cc1Br ZINC000252608147 569297797 /nfs/dbraw/zinc/29/77/97/569297797.db2.gz HHEWKGBBYJKFGR-UHFFFAOYSA-N 0 1 423.266 5.722 50 30 HKEAMN COc1cc([N+](=O)[O-])cc(C=Nc2ccc(-c3nc4ccccc4o3)cc2C)c1O ZINC000252608515 569297773 /nfs/dbraw/zinc/29/77/73/569297773.db2.gz HKWOHGTWFGFIHC-UHFFFAOYSA-N 0 1 403.394 5.176 50 30 HKEAMN Oc1c(Cl)cc(Cl)cc1C=Nc1cc(C(F)(F)F)ccc1Br ZINC000252609857 569298206 /nfs/dbraw/zinc/29/82/06/569298206.db2.gz HWLSVQXDEDIONY-UHFFFAOYSA-N 0 1 413.020 6.231 50 30 HKEAMN C=C[C@@H]1C[N@@H+]2CC[C@H]1C[C@@H]2[C@H](OC(=O)c1ccc(C)cc1)c1ccnc2ccccc21 ZINC000252611362 569300421 /nfs/dbraw/zinc/30/04/21/569300421.db2.gz IJEDEOROYPBLGO-WFAUAPPHSA-N 0 1 412.533 5.338 50 30 HKEAMN Clc1ccc2nc(NN=Cc3ccc4c(c3)OCO4)cc(-c3ccccc3)c2c1 ZINC000252611901 569300394 /nfs/dbraw/zinc/30/03/94/569300394.db2.gz IOEQZTBSFHQGLI-UHFFFAOYSA-N 0 1 401.853 5.730 50 30 HKEAMN CC(=NN1CCN(Cc2cccc3ccccc32)CC1)c1ccc(Br)cc1 ZINC000252612427 569300448 /nfs/dbraw/zinc/30/04/48/569300448.db2.gz ISVBOTTXJUZANY-UHFFFAOYSA-N 0 1 422.370 5.144 50 30 HKEAMN O=C(Nc1ccccc1)c1cc2ccccc2c(C=Nc2ccc(Cl)cc2)c1O ZINC000252613285 569300871 /nfs/dbraw/zinc/30/08/71/569300871.db2.gz JAMPDRYNTOTBBC-UHFFFAOYSA-N 0 1 400.865 6.202 50 30 HKEAMN Cc1n[nH]c(C)c1Sc1ccccc1N=Cc1c(C)[nH]n(-c2ccccc2)c1=O ZINC000252614979 569301229 /nfs/dbraw/zinc/30/12/29/569301229.db2.gz JOKSKKBDMGSPCO-UHFFFAOYSA-N 0 1 403.511 5.128 50 30 HKEAMN Oc1c(Br)cc(Br)cc1C=Nc1nc2c(s1)CCCC2 ZINC000252616432 569301342 /nfs/dbraw/zinc/30/13/42/569301342.db2.gz KAMPJJBCFMYXJZ-UHFFFAOYSA-N 0 1 416.138 5.003 50 30 HKEAMN CC(C)(C)C1=CC(C2=C(C(C)(C)C)C(=NN)C(C(C)(C)C)=C2)=C(C(C)(C)C)C1=NN ZINC000252616584 569301358 /nfs/dbraw/zinc/30/13/58/569301358.db2.gz KBIUEKCHXVYDAR-UHFFFAOYSA-N 0 1 410.650 6.273 50 30 HKEAMN O=C(Nc1cc(Cl)ccc1Cl)C(N=Nc1ccccc1)C(=O)c1ccccc1 ZINC000252617677 569301610 /nfs/dbraw/zinc/30/16/10/569301610.db2.gz KYFHFSDDSSLPNX-UHFFFAOYSA-N 0 1 412.276 5.283 50 30 HKEAMN COc1ccccc1N=Cc1c(O)c(C(=O)Nc2ccccc2C)cc2ccccc21 ZINC000252617726 569301733 /nfs/dbraw/zinc/30/17/33/569301733.db2.gz KYZCTAWYDJPDSG-UHFFFAOYSA-N 0 1 410.473 5.865 50 30 HKEAMN CCOc1cc([N+](=O)[O-])cc(C=Nc2ccc3oc(-c4cccc(C)c4)nc3c2)c1O ZINC000252618868 569302572 /nfs/dbraw/zinc/30/25/72/569302572.db2.gz LKLXTGWELBTSDK-UHFFFAOYSA-N 0 1 417.421 5.566 50 30 HKEAMN COc1cc([N+](=O)[O-])cc(C=Nc2ccc3oc(-c4cc(C)cc(C)c4)nc3c2)c1O ZINC000252618940 569302622 /nfs/dbraw/zinc/30/26/22/569302622.db2.gz LKZZXIHLXPYZSR-UHFFFAOYSA-N 0 1 417.421 5.485 50 30 HKEAMN Oc1c(Cl)cc(Cl)cc1C=Nc1ccc2oc(-c3ccc(F)cc3F)nc2c1 ZINC000252619576 569302869 /nfs/dbraw/zinc/30/28/69/569302869.db2.gz LQIHIKOCWFGMCT-UHFFFAOYSA-N 0 1 419.214 6.536 50 30 HKEAMN COc1cc([N+](=O)[O-])cc(C=Nc2ccc3oc(-c4cccc(C)c4)nc3c2)c1O ZINC000252620245 569304304 /nfs/dbraw/zinc/30/43/04/569304304.db2.gz LZZOCXRNYVUYKS-UHFFFAOYSA-N 0 1 403.394 5.176 50 30 HKEAMN CC(=NN1CCN(C2c3ccccc3-c3ccccc32)CC1)c1ccc(Cl)cc1 ZINC000252620804 569307564 /nfs/dbraw/zinc/30/75/64/569307564.db2.gz MMJFUDYLDXSUCS-UHFFFAOYSA-N 0 1 401.941 5.452 50 30 HKEAMN Cc1ccc2cc(N=Cc3cc(Cl)cc(I)c3O)ccc2n1 ZINC000252621528 569307656 /nfs/dbraw/zinc/30/76/56/569307656.db2.gz NANMHSMXYDSPMV-UHFFFAOYSA-N 0 1 422.653 5.257 50 30 HKEAMN O=C(Nc1ccccc1)c1cc2ccccc2c(C=Nc2ccccc2Cl)c1O ZINC000252621869 569307894 /nfs/dbraw/zinc/30/78/94/569307894.db2.gz NILAUWJLHLQIJU-UHFFFAOYSA-N 0 1 400.865 6.202 50 30 HKEAMN Oc1c(I)cc(Cl)cc1C=Nc1ccc2ccccc2c1 ZINC000252621977 569307817 /nfs/dbraw/zinc/30/78/17/569307817.db2.gz NLMRLWJSBBJMSQ-UHFFFAOYSA-N 0 1 407.638 5.554 50 30 HKEAMN Cc1cc2nc(-c3cc(N=Cc4c(O)cc(C)c(Cl)c4C)ccc3O)oc2c(C)c1 ZINC000252623403 569308336 /nfs/dbraw/zinc/30/83/36/569308336.db2.gz OQJKHIUNAUZQLU-UHFFFAOYSA-N 0 1 420.896 6.544 50 30 HKEAMN Cc1ccc(N=Cc2cc(Br)cc(Br)c2O)cc1N(C)C ZINC000252624162 569309558 /nfs/dbraw/zinc/30/95/58/569309558.db2.gz PHVSGIVQLBCKQW-UHFFFAOYSA-N 0 1 412.125 5.042 50 30 HKEAMN Cc1ccccc1NC(=O)c1cc2ccccc2c(C=Nc2ccccc2Cl)c1O ZINC000252626022 569310286 /nfs/dbraw/zinc/31/02/86/569310286.db2.gz QUNIAGQZWWNOOV-UHFFFAOYSA-N 0 1 414.892 6.510 50 30 HKEAMN COc1cc([N+](=O)[O-])cc(C=Nc2ccc(-c3nc4cc(Cl)ccc4o3)cc2)c1O ZINC000252627246 569310911 /nfs/dbraw/zinc/31/09/11/569310911.db2.gz RPPKISBBBQKOQL-UHFFFAOYSA-N 0 1 423.812 5.521 50 30 HKEAMN Oc1c(Cl)cc(Cl)cc1C=Nc1ccc2oc(-c3ccccc3F)nc2c1 ZINC000252628717 569311322 /nfs/dbraw/zinc/31/13/22/569311322.db2.gz SWDXBHSIKBCPDJ-UHFFFAOYSA-N 0 1 401.224 6.397 50 30 HKEAMN CCOc1cc([N+](=O)[O-])cc(C=Nc2ccc3oc(-c4ccc(C)cc4)nc3c2)c1O ZINC000252630117 569311574 /nfs/dbraw/zinc/31/15/74/569311574.db2.gz UUXWYRUJVKNVCV-UHFFFAOYSA-N 0 1 417.421 5.566 50 30 HKEAMN COc1cc([N+](=O)[O-])cc(C=Nc2ccc3oc(-c4ccc(C)cc4)nc3c2)c1O ZINC000252631016 569312676 /nfs/dbraw/zinc/31/26/76/569312676.db2.gz VGTYGBAEOCBFEM-UHFFFAOYSA-N 0 1 403.394 5.176 50 30 HKEAMN CCOc1cc([N+](=O)[O-])cc(C=Nc2ccc(-c3nc4ccc(C)cc4o3)cc2)c1O ZINC000252632221 569313600 /nfs/dbraw/zinc/31/36/00/569313600.db2.gz VQYLOJFCMHFVPO-UHFFFAOYSA-N 0 1 417.421 5.566 50 30 HKEAMN COc1ccc(-c2nc3ccccc3o2)cc1N=Cc1cc(Cl)cc(Cl)c1O ZINC000252635244 569317122 /nfs/dbraw/zinc/31/71/22/569317122.db2.gz WVZHWZVTTWQDOC-UHFFFAOYSA-N 0 1 413.260 6.266 50 30 HKEAMN Oc1c(Br)cc(Br)cc1C=Nc1cccc2cccnc21 ZINC000252635667 569317129 /nfs/dbraw/zinc/31/71/29/569317129.db2.gz WZFOIKIBSVAPCB-UHFFFAOYSA-N 0 1 406.077 5.216 50 30 HKEAMN Oc1c(Br)cc(Br)cc1C=Nc1ccc2ncccc2c1 ZINC000252636705 569317363 /nfs/dbraw/zinc/31/73/63/569317363.db2.gz XLDGHWIBOVCLJB-UHFFFAOYSA-N 0 1 406.077 5.216 50 30 HKEAMN Oc1c(Br)cc(Br)cc1C=Nc1cccc2ncccc12 ZINC000252641057 569318642 /nfs/dbraw/zinc/31/86/42/569318642.db2.gz YYVFNCNQIMUTPA-UHFFFAOYSA-N 0 1 406.077 5.216 50 30 HKEAMN O=C(Oc1ccco1)c1ccc(C=Nc2ccc(O)c(-c3nc4ccccc4o3)c2)cc1 ZINC000252641547 569318779 /nfs/dbraw/zinc/31/87/79/569318779.db2.gz ZEPXGVNMJCYSJW-UHFFFAOYSA-N 0 1 424.412 5.763 50 30 HKEAMN O=[N+]([O-])c1ccccc1CN=Nc1nc(-c2ccccc2Cl)nc2ccccc21 ZINC000252677940 569319801 /nfs/dbraw/zinc/31/98/01/569319801.db2.gz BISYORYDYANBMY-UHFFFAOYSA-N 0 1 403.829 5.304 50 30 HKEAMN COc1cccc(C=NNc2nc(-c3ccc(Cl)cc3)nc3ccccc32)c1O ZINC000252678025 525863632 /nfs/dbraw/zinc/86/36/32/525863632.db2.gz CMDIFHILGNCBOO-UHFFFAOYSA-N 0 1 404.857 5.110 50 30 HKEAMN CCCCCCCCOc1ccc([C@H](CC(=O)OC)c2c(O)cc(C)oc2=O)cc1 ZINC000253398352 520045716 /nfs/dbraw/zinc/04/57/16/520045716.db2.gz CBPNJWISNQDIKU-FQEVSTJZSA-N 0 1 416.514 5.088 50 30 biogenic HKEAMN CCCCCCCCOc1ccc([C@@H](CC(=O)OC)c2c(O)cc(C)oc2=O)cc1 ZINC000253398355 569365458 /nfs/dbraw/zinc/36/54/58/569365458.db2.gz CBPNJWISNQDIKU-HXUWFJFHSA-N 0 1 416.514 5.088 50 30 biogenic HKEAMN Cc1ccc(S(=O)(=O)Nc2ccccc2N=Cc2cccc3ccccc23)cc1 ZINC000254443704 569374757 /nfs/dbraw/zinc/37/47/57/569374757.db2.gz ARCXFJATZIPTEF-UHFFFAOYSA-N 0 1 400.503 5.700 50 30 HKEAMN S=c1[nH]nc(-c2ccc(Cl)cc2)n1N=Cc1c2ccccc2cc2ccccc21 ZINC000254558481 569374921 /nfs/dbraw/zinc/37/49/21/569374921.db2.gz JVMRZQLFQQKKKW-UHFFFAOYSA-N 0 1 414.921 6.450 50 30 HKEAMN