smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])[C@@H](C(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1)C1CC1 ZINC000663104606 939855211 /nfs/dbraw/zinc/85/52/11/939855211.db2.gz LDRSUZFLYJRICO-OAQYLSRUSA-N 0 2 389.455 3.325 10 0 GGAELN CC1(C)C(=O)Nc2ccccc2N1C(=O)COC(=O)c1ccc2ncsc2c1 ZINC000004546729 204052487 /nfs/dbraw/zinc/05/24/87/204052487.db2.gz LKKMIDGGBZGWFT-UHFFFAOYSA-N 0 2 395.440 3.217 10 0 GGAELN COc1ccc(OCc2nn3c([nH]2)c2c4c(sc2nc3=O)CCCC4)cc1 ZINC000006678696 204192248 /nfs/dbraw/zinc/19/22/48/204192248.db2.gz KRZCIEFAXGKTCV-UHFFFAOYSA-N 0 2 382.445 3.099 10 0 GGAELN O=S(=O)(Nc1nc2ccccc2nc1NC1CCC(O)CC1)c1ccccc1 ZINC000008720296 204285696 /nfs/dbraw/zinc/28/56/96/204285696.db2.gz ZXENQXHCVSDQSY-UHFFFAOYSA-N 0 2 398.488 3.146 10 0 GGAELN Cc1nn(-c2ccccc2)c(C)c1S(=O)(=O)Nc1ccc2nsnc2c1 ZINC000012340921 204399090 /nfs/dbraw/zinc/39/90/90/204399090.db2.gz NERNJUGMMWFYJO-UHFFFAOYSA-N 0 2 385.474 3.295 10 0 GGAELN Cc1ccc(/C=C\C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)o1 ZINC000033307003 204958643 /nfs/dbraw/zinc/95/86/43/204958643.db2.gz DPIGCRRVKSEAFA-TWGQIWQCSA-N 0 2 389.458 3.497 10 0 GGAELN CCCCOc1ccc(-c2nnc(CCC(=O)NC3CCCC3)c(=O)[nH]2)cc1 ZINC000034763380 204975123 /nfs/dbraw/zinc/97/51/23/204975123.db2.gz MHUDBQMLKVIJHA-UHFFFAOYSA-N 0 2 384.480 3.415 10 0 GGAELN Cn1cnnc1-c1ccccc1NS(=O)(=O)c1ccccc1C(F)(F)F ZINC000047992021 205112653 /nfs/dbraw/zinc/11/26/53/205112653.db2.gz IILCUIDWKCJXNT-UHFFFAOYSA-N 0 2 382.367 3.302 10 0 GGAELN O=c1[nH]c2ccc(NS(=O)(=O)c3ccc(Br)s3)cc2s1 ZINC000046017408 205102179 /nfs/dbraw/zinc/10/21/79/205102179.db2.gz JYJNNBXEOSVOHB-UHFFFAOYSA-N 0 2 391.293 3.214 10 0 GGAELN Cc1ccc(O)c(S(=O)(=O)Nc2ccccc2NC(=O)N2CCCC2)c1 ZINC000057118640 205154787 /nfs/dbraw/zinc/15/47/87/205154787.db2.gz XCNBZIJWCVESLZ-UHFFFAOYSA-N 0 2 375.450 3.129 10 0 GGAELN O=S(=O)(Nc1ccn(Cc2cccnc2)n1)c1cccc(C(F)(F)F)c1 ZINC000058180477 205167941 /nfs/dbraw/zinc/16/79/41/205167941.db2.gz DRCQNVVDGJCMPP-UHFFFAOYSA-N 0 2 382.367 3.146 10 0 GGAELN COc1cccc(NS(=O)(=O)c2ccc(-c3nnc(C4CC4)o3)s2)c1 ZINC000064920143 205200999 /nfs/dbraw/zinc/20/09/99/205200999.db2.gz JREVFJDVGLNIGE-UHFFFAOYSA-N 0 2 377.447 3.485 10 0 GGAELN CCOC(=O)c1cccc(NS(=O)(=O)c2ccc(-c3ccno3)s2)c1 ZINC000065031072 205207774 /nfs/dbraw/zinc/20/77/74/205207774.db2.gz KSTIRPAXRYUXDS-UHFFFAOYSA-N 0 2 378.431 3.381 10 0 GGAELN CCc1nn2c(nc(C)c2S(=O)(=O)Nc2cccc(C(F)(F)F)c2)s1 ZINC000065183721 205215379 /nfs/dbraw/zinc/21/53/79/205215379.db2.gz WEMGRAQGYHZQTL-UHFFFAOYSA-N 0 2 390.412 3.481 10 0 GGAELN CCCCc1ccc2c(N)c3c(=O)n(-c4ccc(OC)cc4)c(O)c-3sc2n1 ZINC000261527023 206184124 /nfs/dbraw/zinc/18/41/24/206184124.db2.gz VPXMEXLCDRIZCJ-SFHVURJKSA-N 0 2 395.484 3.150 10 0 GGAELN Cc1ccc2c(=O)c(C(=O)NC[C@H](O)c3ccc(Cl)cc3Cl)c[nH]c2n1 ZINC000303441648 534401302 /nfs/dbraw/zinc/40/13/02/534401302.db2.gz FWAQKDPMFCEDFF-HNNXBMFYSA-N 0 2 392.242 3.414 10 0 GGAELN CCOC(=O)Cc1csc(NS(=O)(=O)c2cc(C)c(Cl)cc2C)n1 ZINC000001042654 564182588 /nfs/dbraw/zinc/18/25/88/564182588.db2.gz DVAQZPOPYAJLPP-UHFFFAOYSA-N 0 2 388.898 3.320 10 0 GGAELN Cc1nc(C)n(C[C@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3O)C2)n1 ZINC000116977578 564221006 /nfs/dbraw/zinc/22/10/06/564221006.db2.gz WPUKKSRAHHDONQ-LBPRGKRZSA-N 0 2 383.279 3.460 10 0 GGAELN CS(=O)(=O)NCc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2O)cc1 ZINC000117989465 564235073 /nfs/dbraw/zinc/23/50/73/564235073.db2.gz YPTLCJHPFYBSPH-UHFFFAOYSA-N 0 2 389.260 3.001 10 0 GGAELN C[C@@H](Oc1ccc(Cl)cc1)C(=O)N(C)Cc1nc(=O)c2sccc2[nH]1 ZINC000012757670 564270422 /nfs/dbraw/zinc/27/04/22/564270422.db2.gz LAPNXNZNXYIDQA-SNVBAGLBSA-N 0 2 377.853 3.064 10 0 GGAELN O=C(Cc1ccc(NS(=O)(=O)c2cccs2)cc1)NCCCC1CC1 ZINC000119482031 564273145 /nfs/dbraw/zinc/27/31/45/564273145.db2.gz XUKLJHBTJFEPBA-UHFFFAOYSA-N 0 2 378.519 3.398 10 0 GGAELN CS(=O)(=O)Nc1nc2ccc(NC(=O)Nc3cccc(F)c3)cc2s1 ZINC000013348884 564276240 /nfs/dbraw/zinc/27/62/40/564276240.db2.gz PQNCOPNODFKWIX-UHFFFAOYSA-N 0 2 380.426 3.451 10 0 GGAELN CS(=O)(=O)Nc1nc2ccc(NC(=O)CCc3ccccc3)cc2s1 ZINC000015861971 564290082 /nfs/dbraw/zinc/29/00/82/564290082.db2.gz MOQGYKGJBQGTME-UHFFFAOYSA-N 0 2 375.475 3.239 10 0 GGAELN C[C@H]1CC(=O)Nc2cc(S(=O)(=O)Nc3ccc(Cl)cn3)ccc2S1 ZINC000015730292 564290515 /nfs/dbraw/zinc/29/05/15/564290515.db2.gz VNCJTPZVAOKOFH-VIFPVBQESA-N 0 2 383.882 3.359 10 0 GGAELN Cc1cc(S(=O)(=O)Nc2c[nH]nc2-c2ccccn2)sc1Br ZINC000120811729 564337734 /nfs/dbraw/zinc/33/77/34/564337734.db2.gz BEJPVXAXOLKFPE-UHFFFAOYSA-N 0 2 399.295 3.405 10 0 GGAELN Cc1cc2sc(NS(=O)(=O)c3ccccc3S(C)(=O)=O)nc2c(C)c1 ZINC000120797807 564338201 /nfs/dbraw/zinc/33/82/01/564338201.db2.gz MNQLTLNCJVKOAH-UHFFFAOYSA-N 0 2 396.515 3.117 10 0 GGAELN COC(=O)Cc1ccc(NS(=O)(=O)c2ccc(Br)s2)cc1 ZINC000029337803 564369196 /nfs/dbraw/zinc/36/91/96/564369196.db2.gz JIUQMMCZXOUPQE-UHFFFAOYSA-N 0 2 390.280 3.027 10 0 GGAELN O=C1COc2cc(NS(=O)(=O)c3cc(Cl)sc3Cl)ccc2N1 ZINC000121985667 564395158 /nfs/dbraw/zinc/39/51/58/564395158.db2.gz VYMFYZAOTYTCDM-UHFFFAOYSA-N 0 2 379.246 3.187 10 0 GGAELN CC[C@@H](C)NC(=O)C1(c2ccc(NS(=O)(=O)c3cccs3)cc2)CC1 ZINC000033115364 564410679 /nfs/dbraw/zinc/41/06/79/564410679.db2.gz DMMAGOPTDBVIJG-CYBMUJFWSA-N 0 2 378.519 3.495 10 0 GGAELN COc1ccc(S(=O)(=O)Nc2nc(C(C)C)cs2)cc1Br ZINC000042306150 564445569 /nfs/dbraw/zinc/44/55/69/564445569.db2.gz BBUVNXYRUHPMSS-UHFFFAOYSA-N 0 2 391.312 3.260 10 0 GGAELN CS(=O)(=O)c1ccccc1S(=O)(=O)Nc1ccc(Cl)c2cccnc12 ZINC000042676981 564449093 /nfs/dbraw/zinc/44/90/93/564449093.db2.gz VBHFPXHWAIZBDP-UHFFFAOYSA-N 0 2 396.877 3.093 10 0 GGAELN COc1ccc(Cn2nccc2NS(=O)(=O)c2cc(C)sc2C)cc1 ZINC000123640743 564456021 /nfs/dbraw/zinc/45/60/21/564456021.db2.gz CAKWAOWZSMVAFC-UHFFFAOYSA-N 0 2 377.491 3.419 10 0 GGAELN CNC(=O)c1ccc(NS(=O)(=O)c2c(F)cccc2Cl)cc1Cl ZINC000125646492 564521427 /nfs/dbraw/zinc/52/14/27/564521427.db2.gz AWOHVVLQURUGDA-UHFFFAOYSA-N 0 2 377.224 3.293 10 0 GGAELN Cn1cnnc1-c1ccccc1NS(=O)(=O)c1ccccc1Br ZINC000047992078 564529613 /nfs/dbraw/zinc/52/96/13/564529613.db2.gz RGWOZYUTXYJDRI-UHFFFAOYSA-N 0 2 393.266 3.045 10 0 GGAELN CCS(=O)(=O)c1ccc(S(=O)(=O)Nc2nc(C(C)(C)C)cs2)cc1 ZINC000126447427 564549793 /nfs/dbraw/zinc/54/97/93/564549793.db2.gz SKWAQDCGIJXKIJ-UHFFFAOYSA-N 0 2 388.536 3.035 10 0 GGAELN COc1ccc(Br)cc1S(=O)(=O)Nc1c(C)noc1C1CC1 ZINC000126900313 564566917 /nfs/dbraw/zinc/56/69/17/564566917.db2.gz XRMSTPGOXRKAKH-UHFFFAOYSA-N 0 2 387.255 3.432 10 0 GGAELN O=C(c1ccc(Cl)c(Cl)c1O)N1CCOC[C@@H]1C[C@@H](O)c1ccco1 ZINC000127511586 564586309 /nfs/dbraw/zinc/58/63/09/564586309.db2.gz HOHXWTCFTCXDJQ-GXFFZTMASA-N 0 2 386.231 3.257 10 0 GGAELN CN(C(=O)c1ccc(Cl)c(Cl)c1O)[C@@H]1CCCN(c2cccnn2)C1 ZINC000127830502 564598428 /nfs/dbraw/zinc/59/84/28/564598428.db2.gz XTOBCFBLOHANBF-LLVKDONJSA-N 0 2 381.263 3.230 10 0 GGAELN Cc1nn(C)c(Cl)c1S(=O)(=O)Nc1ccc(OCC(F)(F)F)cc1 ZINC000055579095 564624274 /nfs/dbraw/zinc/62/42/74/564624274.db2.gz LOPMSZLAFLQALI-UHFFFAOYSA-N 0 2 383.779 3.124 10 0 GGAELN CCc1ccc(S(=O)(=O)Nc2ccc(NC(=O)[C@@H]3CCCO3)cc2)s1 ZINC000055584338 564625385 /nfs/dbraw/zinc/62/53/85/564625385.db2.gz OPBSEHHVHXBXCF-HNNXBMFYSA-N 0 2 380.491 3.229 10 0 GGAELN CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(Cl)c(Cl)c1O ZINC000129572911 564653470 /nfs/dbraw/zinc/65/34/70/564653470.db2.gz GDKVSYWGBYKMMK-AWEZNQCLSA-N 0 2 381.259 3.128 10 0 GGAELN Cc1nc(-c2cccc(NS(=O)(=O)c3c(C)nn(C)c3Cl)c2)oc1C ZINC000057119694 564660777 /nfs/dbraw/zinc/66/07/77/564660777.db2.gz YRMWKLPACZITDK-UHFFFAOYSA-N 0 2 380.857 3.455 10 0 GGAELN O=C(Nc1cccc(Br)c1)c1c[nH]n(-c2ccc(F)cc2)c1=O ZINC000131826478 564725385 /nfs/dbraw/zinc/72/53/85/564725385.db2.gz DUEPEBFUZRYIDS-CQSZACIVSA-N 0 2 376.185 3.176 10 0 GGAELN Cc1cc(F)ccc1S(=O)(=O)Nc1nc(CN2CCC[C@H](C)C2)cs1 ZINC000066249349 564759069 /nfs/dbraw/zinc/75/90/69/564759069.db2.gz YIQVBJBSERDPJT-LBPRGKRZSA-N 0 2 383.514 3.045 10 0 GGAELN CCn1cc(S(=O)(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)cn1 ZINC000066250734 564759295 /nfs/dbraw/zinc/75/92/95/564759295.db2.gz WYMHGJUIDMOVOY-UHFFFAOYSA-N 0 2 382.898 3.405 10 0 GGAELN Cc1nn(C)c(Cl)c1S(=O)(=O)Nc1cc(C(C)(C)C)nn1C(C)(C)C ZINC000066254218 564760118 /nfs/dbraw/zinc/76/01/18/564760118.db2.gz ONASOEQHJFZXHM-UHFFFAOYSA-N 0 2 387.937 3.432 10 0 GGAELN O=C(Nc1nccs1)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1O ZINC000066637372 564772059 /nfs/dbraw/zinc/77/20/59/564772059.db2.gz DUVAKINCGSWCCK-SNVBAGLBSA-N 0 2 386.260 3.399 10 0 GGAELN COC(=O)c1ccc(S(=O)(=O)Nc2cc(C3CCCC3)n[nH]2)cc1Cl ZINC000137191508 564859381 /nfs/dbraw/zinc/85/93/81/564859381.db2.gz YBTUKJCUWXVNKL-UHFFFAOYSA-N 0 2 383.857 3.308 10 0 GGAELN CCCCn1ncc(NS(=O)(=O)c2ccc(C(=O)OC)c(Cl)c2)c1C ZINC000137697230 564863830 /nfs/dbraw/zinc/86/38/30/564863830.db2.gz OPZBTMPZGSFPQI-UHFFFAOYSA-N 0 2 385.873 3.232 10 0 GGAELN COC(=O)c1ccc(S(=O)(=O)Nc2ccn(CCC(C)C)n2)cc1Cl ZINC000137676804 564863931 /nfs/dbraw/zinc/86/39/31/564863931.db2.gz QJUHHRCYUXTAMP-UHFFFAOYSA-N 0 2 385.873 3.170 10 0 GGAELN CCOC(=O)c1cccc(NS(=O)(=O)c2ccc(-c3cc[nH]n3)s2)c1 ZINC000085664832 564869519 /nfs/dbraw/zinc/86/95/19/564869519.db2.gz ASELLTUDZZHJHM-UHFFFAOYSA-N 0 2 377.447 3.116 10 0 GGAELN Cc1nn(C)c(Cl)c1S(=O)(=O)N[C@](C)(c1ccccc1)C(F)(F)F ZINC000095944111 564899817 /nfs/dbraw/zinc/89/98/17/564899817.db2.gz DSMOMLNWWMNLER-CYBMUJFWSA-N 0 2 381.807 3.138 10 0 GGAELN COc1ccc(S(=O)(=O)Nc2cccn3nc(C4CC4)nc23)cc1Cl ZINC000097111044 564905156 /nfs/dbraw/zinc/90/51/56/564905156.db2.gz VCTAKDHZGLILQR-UHFFFAOYSA-N 0 2 378.841 3.070 10 0 GGAELN COCCOc1ncccc1NS(=O)(=O)c1c(Cl)cccc1Cl ZINC000102748447 564933954 /nfs/dbraw/zinc/93/39/54/564933954.db2.gz YMBCCENFNLZQPB-UHFFFAOYSA-N 0 2 377.249 3.214 10 0 GGAELN NC(=O)c1ccc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2F)cc1Cl ZINC000103058386 564942193 /nfs/dbraw/zinc/94/21/93/564942193.db2.gz WPACOXDMNFEDDF-UHFFFAOYSA-N 0 2 396.749 3.398 10 0 GGAELN COc1cccc(-c2nsc(NS(=O)(=O)c3ccc(C)c(F)c3)n2)c1 ZINC000152501099 564961529 /nfs/dbraw/zinc/96/15/29/564961529.db2.gz QIRKRCLIUFIHDC-UHFFFAOYSA-N 0 2 379.438 3.462 10 0 GGAELN COc1cccc(-c2nsc(NS(=O)(=O)c3ccc(F)c(F)c3)n2)c1 ZINC000152508656 564962714 /nfs/dbraw/zinc/96/27/14/564962714.db2.gz KKDFQYZXJSHHER-UHFFFAOYSA-N 0 2 383.401 3.293 10 0 GGAELN COc1cccc(-c2nsc(NS(=O)(=O)c3cc(F)ccc3C)n2)c1 ZINC000152508335 564962765 /nfs/dbraw/zinc/96/27/65/564962765.db2.gz ZDKREVHODGXGQZ-UHFFFAOYSA-N 0 2 379.438 3.462 10 0 GGAELN COc1cccc(-c2nsc(NS(=O)(=O)c3ccc(F)c(C)c3)n2)c1 ZINC000152509345 564962881 /nfs/dbraw/zinc/96/28/81/564962881.db2.gz XRFGMTZDGYCMCG-UHFFFAOYSA-N 0 2 379.438 3.462 10 0 GGAELN CCNC(=O)COc1cccc(NC(=O)c2ccc(Cl)c(Cl)c2O)c1 ZINC000106457881 564983995 /nfs/dbraw/zinc/98/39/95/564983995.db2.gz HBDMYABNWAKWEN-UHFFFAOYSA-N 0 2 383.231 3.466 10 0 GGAELN COC(=O)c1ccc(S(=O)(=O)Nc2cc(-c3ccc(C)s3)[nH]n2)cc1 ZINC000153203895 564987406 /nfs/dbraw/zinc/98/74/06/564987406.db2.gz NGSUWCQSKXILRI-UHFFFAOYSA-N 0 2 377.447 3.034 10 0 GGAELN CS(=O)(=O)Nc1cccc(NC(=O)c2ccc(Cl)c(Cl)c2O)c1 ZINC000106904393 564991928 /nfs/dbraw/zinc/99/19/28/564991928.db2.gz UULUZXIROFUJLD-UHFFFAOYSA-N 0 2 375.233 3.323 10 0 GGAELN COC(=O)c1ccc(S(=O)(=O)N[C@@H](c2ccc(Cl)cc2)C(F)(F)F)o1 ZINC000153479233 564997050 /nfs/dbraw/zinc/99/70/50/564997050.db2.gz HJAXDSIEXZLWHD-LBPRGKRZSA-N 0 2 397.758 3.302 10 0 GGAELN COC(=O)c1coc(S(=O)(=O)N[C@@H](c2ccc(Cl)cc2)C(F)(F)F)c1 ZINC000153500492 564998342 /nfs/dbraw/zinc/99/83/42/564998342.db2.gz IRBOZKKHKGSVKT-LBPRGKRZSA-N 0 2 397.758 3.302 10 0 GGAELN O=S(=O)([N-]c1ccc(C[NH+]2CCOCC2)cc1)c1c(F)cccc1Cl ZINC000153550658 565000288 /nfs/dbraw/zinc/00/02/88/565000288.db2.gz JRVYLSCEKXNCIC-UHFFFAOYSA-N 0 2 384.860 3.112 10 0 GGAELN O=S(=O)(Nc1cccc(CN2CCOCC2)c1)c1c(F)cccc1Cl ZINC000153929115 565017711 /nfs/dbraw/zinc/01/77/11/565017711.db2.gz SDDRNLYSLBFREM-UHFFFAOYSA-N 0 2 384.860 3.112 10 0 GGAELN CCCS(=O)(=O)Nc1cccc(NS(=O)(=O)c2ccc(CC)s2)c1 ZINC000154491329 565041760 /nfs/dbraw/zinc/04/17/60/565041760.db2.gz JTRJFWBVHZHYFW-UHFFFAOYSA-N 0 2 388.536 3.263 10 0 GGAELN Cc1ncc(CN2CCN(C(=O)c3ccc(Cl)c(Cl)c3O)CC2)s1 ZINC000111622900 565055975 /nfs/dbraw/zinc/05/59/75/565055975.db2.gz FJBFDOPZHNSPKA-UHFFFAOYSA-N 0 2 386.304 3.422 10 0 GGAELN CCc1ccc(S(=O)(=O)Nc2cc(C(C)C)nn2-c2ncccn2)s1 ZINC000112497028 565064115 /nfs/dbraw/zinc/06/41/15/565064115.db2.gz XJGPBBNFSVRGGY-UHFFFAOYSA-N 0 2 377.495 3.210 10 0 GGAELN O=C(Cc1ccc(Br)s1)Nc1cccc(-c2nc(=O)o[nH]2)c1 ZINC000114261662 565073454 /nfs/dbraw/zinc/07/34/54/565073454.db2.gz KCMUURUCWZOHGS-UHFFFAOYSA-N 0 2 380.223 3.035 10 0 GGAELN CCc1ccc(S(=O)(=O)Nc2ccc(OC)c(N3CCOC3=O)c2)s1 ZINC000266595844 565085077 /nfs/dbraw/zinc/08/50/77/565085077.db2.gz OUWIIJXMVNHPJW-UHFFFAOYSA-N 0 2 382.463 3.077 10 0 GGAELN O=C(NC[C@H](c1cccs1)N1CCOCC1)c1cc(F)c(O)c(Cl)c1 ZINC000184198420 565118406 /nfs/dbraw/zinc/11/84/06/565118406.db2.gz NEPGDMVLKJTTRE-CQSZACIVSA-N 0 2 384.860 3.050 10 0 GGAELN CCN1C(=S)N=NC1[C@H]1CCCN(C(=O)c2cc(F)c(O)c(Cl)c2)C1 ZINC000184381219 565132314 /nfs/dbraw/zinc/13/23/14/565132314.db2.gz RIUTXKRPFIMQDA-VIFPVBQESA-N 0 2 384.864 3.105 10 0 GGAELN CCN1C(=S)N=NC1[C@@H]1CCCN(C(=O)c2cc(F)c(O)c(Cl)c2)C1 ZINC000184381200 565132785 /nfs/dbraw/zinc/13/27/85/565132785.db2.gz RIUTXKRPFIMQDA-SECBINFHSA-N 0 2 384.864 3.105 10 0 GGAELN O=C(N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O)c1cc(F)c(O)c(Cl)c1 ZINC000184431045 565134846 /nfs/dbraw/zinc/13/48/46/565134846.db2.gz PULFOJKVMCQORI-CQSZACIVSA-N 0 2 383.206 3.373 10 0 GGAELN O=S(=O)(Nc1cc(O)cc(F)c1)c1cc(Br)cc2c1OCC2 ZINC000184514269 565140924 /nfs/dbraw/zinc/14/09/24/565140924.db2.gz XQEDPCLCKVVRKS-UHFFFAOYSA-N 0 2 388.214 3.030 10 0 GGAELN CC(C)C[C@H](NC(=O)c1cc(F)c(O)c(Cl)c1)C(=O)Nc1nccs1 ZINC000184526788 565141959 /nfs/dbraw/zinc/14/19/59/565141959.db2.gz JSBGULKYBXRBIV-LBPRGKRZSA-N 0 2 385.848 3.424 10 0 GGAELN CC(C)n1cc(S(=O)(=O)Nc2ccccc2OCc2cscn2)cn1 ZINC000157726567 565142905 /nfs/dbraw/zinc/14/29/05/565142905.db2.gz BKJOQFJOFYGOIX-UHFFFAOYSA-N 0 2 378.479 3.300 10 0 GGAELN O=S(=O)(Nc1cccc(-c2ncon2)c1)c1sccc1Br ZINC000158754491 565179993 /nfs/dbraw/zinc/17/99/93/565179993.db2.gz OSOBZAZATCMWCN-UHFFFAOYSA-N 0 2 386.252 3.361 10 0 GGAELN C[C@@H]1CCCN1S(=O)(=O)Nc1cc(Cl)ccc1C(=O)N1CCCCC1 ZINC000185196002 565186168 /nfs/dbraw/zinc/18/61/68/565186168.db2.gz TYULXHGBBYMUGO-CYBMUJFWSA-N 0 2 385.917 3.107 10 0 GGAELN CCn1nc(NS(=O)(=O)c2ccc(C(=O)OC)c(Cl)c2)cc1C1CC1 ZINC000269654517 565196394 /nfs/dbraw/zinc/19/63/94/565196394.db2.gz HPWNUWAOGKZRRF-UHFFFAOYSA-N 0 2 383.857 3.021 10 0 GGAELN O=C(N[C@@H]1CCCc2[nH]c(=O)ccc21)c1cc(Br)c(F)cc1O ZINC000294307077 565207886 /nfs/dbraw/zinc/20/78/86/565207886.db2.gz FZYUMOSSULVYPR-CYBMUJFWSA-N 0 2 381.201 3.202 10 0 GGAELN CCc1noc(C)c1NS(=O)(=O)c1cc(Br)cc(OC)c1 ZINC000185604602 565210951 /nfs/dbraw/zinc/21/09/51/565210951.db2.gz ZFNNWUCXUOLISS-UHFFFAOYSA-N 0 2 375.244 3.117 10 0 GGAELN O=C(NCc1nnc(C2CC2)n1C1CC1)c1cc(Br)c(F)cc1O ZINC000294877524 565233164 /nfs/dbraw/zinc/23/31/64/565233164.db2.gz FPKBJUYAPNXAJD-UHFFFAOYSA-N 0 2 395.232 3.028 10 0 GGAELN C[C@@H]1CCN(C(=O)c2cc(Br)c(F)cc2O)C[C@H]1n1ccnc1 ZINC000295120766 565246456 /nfs/dbraw/zinc/24/64/56/565246456.db2.gz MJCKRGBJKRLFHM-QMTHXVAHSA-N 0 2 382.233 3.214 10 0 GGAELN C[C@@H]1CCN(C(=O)c2cc(Br)c(F)cc2[O-])C[C@H]1n1cc[nH+]c1 ZINC000295120766 565246461 /nfs/dbraw/zinc/24/64/61/565246461.db2.gz MJCKRGBJKRLFHM-QMTHXVAHSA-N 0 2 382.233 3.214 10 0 GGAELN C[C@H]1CCN(C(=O)c2cc(Br)c(F)cc2O)C[C@H]1n1ccnc1 ZINC000295120764 565246998 /nfs/dbraw/zinc/24/69/98/565246998.db2.gz MJCKRGBJKRLFHM-IINYFYTJSA-N 0 2 382.233 3.214 10 0 GGAELN C[C@H]1CCN(C(=O)c2cc(Br)c(F)cc2[O-])C[C@H]1n1cc[nH+]c1 ZINC000295120764 565247003 /nfs/dbraw/zinc/24/70/03/565247003.db2.gz MJCKRGBJKRLFHM-IINYFYTJSA-N 0 2 382.233 3.214 10 0 GGAELN COc1cccc(Cc2nnc(NS(=O)(=O)c3sc(C)cc3C)o2)c1 ZINC000295664438 565279432 /nfs/dbraw/zinc/27/94/32/565279432.db2.gz ASDYOOKESZOBCZ-UHFFFAOYSA-N 0 2 379.463 3.148 10 0 GGAELN O=C(c1cc(Br)c(F)cc1O)N1CCC(C(=O)C(F)(F)F)CC1 ZINC000295726121 565283858 /nfs/dbraw/zinc/28/38/58/565283858.db2.gz LNIPKLVNAURWBM-UHFFFAOYSA-N 0 2 398.150 3.277 10 0 GGAELN Cn1ccnc1[C@H]1N(C(=O)c2cc(Br)c(F)cc2O)CC1(C)C ZINC000295768743 565285993 /nfs/dbraw/zinc/28/59/93/565285993.db2.gz CLKWOVWJIYTNAE-CYBMUJFWSA-N 0 2 382.233 3.251 10 0 GGAELN CCn1nc(C)c(NS(=O)(=O)c2cc(OC)cc(C(F)(F)F)c2)c1C ZINC000296027254 565298258 /nfs/dbraw/zinc/29/82/58/565298258.db2.gz RRKKGSJBLCRBKR-UHFFFAOYSA-N 0 2 377.388 3.348 10 0 GGAELN COCc1csc(NS(=O)(=O)c2cc(C)cc(Br)c2)n1 ZINC000186983959 565300832 /nfs/dbraw/zinc/30/08/32/565300832.db2.gz SRSWKECRTRTYPL-UHFFFAOYSA-N 0 2 377.285 3.161 10 0 GGAELN O=S(=O)(Nc1cccc2c1OCC[C@H]2O)c1ccc(Cl)nc1Cl ZINC000374002962 565314836 /nfs/dbraw/zinc/31/48/36/565314836.db2.gz OELHDOUXABVFHA-SNVBAGLBSA-N 0 2 375.233 3.005 10 0 GGAELN O=C(Nc1c(O)c(Cl)cc(Cl)c1Cl)c1cc2c(=O)[nH]cnc2cn1 ZINC000187502528 565337194 /nfs/dbraw/zinc/33/71/94/565337194.db2.gz LVOIRYNIEFSJBW-UHFFFAOYSA-N 0 2 385.594 3.236 10 0 GGAELN C[C@@H](Sc1n[nH]c(=O)[nH]1)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000187641386 565346657 /nfs/dbraw/zinc/34/66/57/565346657.db2.gz NPUCWLWXBWCGEW-ZCFIWIBFSA-N 0 2 383.405 3.031 10 0 GGAELN C[C@@H](C1CC1)n1cc(NS(=O)(=O)c2cc3c(cc2Cl)OCCO3)cn1 ZINC000187746167 565352135 /nfs/dbraw/zinc/35/21/35/565352135.db2.gz PWQJAAKMLYPIJT-JTQLQIEISA-N 0 2 383.857 3.080 10 0 GGAELN CCn1nccc1S(=O)(=O)Nc1cc(Cl)c(OCCOC)c(Cl)c1 ZINC000274490179 565372116 /nfs/dbraw/zinc/37/21/16/565372116.db2.gz ZQPFDSUINRVLSW-UHFFFAOYSA-N 0 2 394.280 3.036 10 0 GGAELN COC(=O)c1sc(NS(=O)(=O)c2ccc3ncsc3c2)nc1C1CC1 ZINC000274780178 565381151 /nfs/dbraw/zinc/38/11/51/565381151.db2.gz XQQHLIMNEKKJNB-UHFFFAOYSA-N 0 2 395.487 3.218 10 0 GGAELN COC(=O)c1cncc(NS(=O)(=O)c2ccc(Cl)c(F)c2Cl)c1 ZINC000170617508 565382970 /nfs/dbraw/zinc/38/29/70/565382970.db2.gz UQJFVUYZXPUZOV-UHFFFAOYSA-N 0 2 379.196 3.115 10 0 GGAELN COc1cc(OC)c(S(=O)(=O)Nc2cccc(Cl)c2OC)c(OC)c1 ZINC000274987414 565387816 /nfs/dbraw/zinc/38/78/16/565387816.db2.gz HLMGOONJFGWWID-UHFFFAOYSA-N 0 2 387.841 3.175 10 0 GGAELN Cc1nn(C)c(Cl)c1S(=O)(=O)Nc1cccc(Br)c1C ZINC000171013033 565403418 /nfs/dbraw/zinc/40/34/18/565403418.db2.gz FAPOTROTCWVDSR-UHFFFAOYSA-N 0 2 378.679 3.254 10 0 GGAELN C[C@H]1CN(C(=O)Cc2ccc(NS(=O)(=O)c3cccs3)cc2)CCS1 ZINC000171572175 565438648 /nfs/dbraw/zinc/43/86/48/565438648.db2.gz MRSSUNDDNVXPFH-ZDUSSCGKSA-N 0 2 396.559 3.055 10 0 GGAELN COC(=O)NCCc1ccc(S(=O)(=O)Nc2ccc(SC)cc2)s1 ZINC000276214513 565440462 /nfs/dbraw/zinc/44/04/62/565440462.db2.gz KVPHJBSISIZOKY-UHFFFAOYSA-N 0 2 386.520 3.169 10 0 GGAELN COc1cc(Br)ccc1[C@H](C)NC(=O)c1cccc2[nH]nnc21 ZINC000189143805 565447350 /nfs/dbraw/zinc/44/73/50/565447350.db2.gz BGZYPAYEVXPOQN-VIFPVBQESA-N 0 2 375.226 3.220 10 0 GGAELN COc1cc(F)c(S(=O)(=O)Nc2ncc(C(F)(F)F)s2)cc1OC ZINC000276589890 565454157 /nfs/dbraw/zinc/45/41/57/565454157.db2.gz JMMLCBMTVMBXDV-UHFFFAOYSA-N 0 2 386.348 3.119 10 0 GGAELN CCCn1nccc1NS(=O)(=O)c1cc(Br)c(F)cc1C ZINC000189284212 565456464 /nfs/dbraw/zinc/45/64/64/565456464.db2.gz QIFCVKGWBHEDQZ-UHFFFAOYSA-N 0 2 376.251 3.304 10 0 GGAELN CC(=O)Nc1cc(F)c(S(=O)(=O)NCCC2CCCC2)c(F)c1Cl ZINC000173008160 565519415 /nfs/dbraw/zinc/51/94/15/565519415.db2.gz REMAMPIFFSNOBQ-UHFFFAOYSA-N 0 2 380.844 3.435 10 0 GGAELN O=S(=O)(Nc1nnc(-c2cccs2)o1)c1ccc(C(F)(F)F)nc1 ZINC000190350690 565524502 /nfs/dbraw/zinc/52/45/02/565524502.db2.gz MXSKCWHZLVKHAR-UHFFFAOYSA-N 0 2 376.341 3.013 10 0 GGAELN CCc1ccc(S(=O)(=O)Nc2nnc(CCOc3ccccc3)o2)s1 ZINC000278110242 565540705 /nfs/dbraw/zinc/54/07/05/565540705.db2.gz ACVBHZIOBHJFMP-UHFFFAOYSA-N 0 2 379.463 3.116 10 0 GGAELN Cc1nn(C)c(Cl)c1S(=O)(=O)Nc1cc(-c2ccco2)nn1C(C)C ZINC000278606859 565568497 /nfs/dbraw/zinc/56/84/97/565568497.db2.gz FOLYQADNFMXDRX-UHFFFAOYSA-N 0 2 383.861 3.220 10 0 GGAELN COc1cc(S(=O)(=O)Nc2ccc(Br)c(C)n2)ccc1F ZINC000190991126 565575787 /nfs/dbraw/zinc/57/57/87/565575787.db2.gz LQOVKWMTKCIMHK-UHFFFAOYSA-N 0 2 375.219 3.101 10 0 GGAELN COc1cc(S(=O)(=O)Nc2ccnn2-c2ccc(Cl)cc2)ccc1F ZINC000190991085 565576425 /nfs/dbraw/zinc/57/64/25/565576425.db2.gz OGPZRLMEIGQVGL-UHFFFAOYSA-N 0 2 381.816 3.474 10 0 GGAELN CN(C)c1ccc(NS(=O)(=O)c2c(Cl)cccc2Br)cn1 ZINC000314524872 565587413 /nfs/dbraw/zinc/58/74/13/565587413.db2.gz PBOBVKWZXBHAOL-UHFFFAOYSA-N 0 2 390.690 3.364 10 0 GGAELN C[C@@H](C1CC1)n1nccc1NS(=O)(=O)c1ccc(OC(F)F)c(F)c1 ZINC000279108065 565595651 /nfs/dbraw/zinc/59/56/51/565595651.db2.gz QYEMRZLUQHQDDY-VIFPVBQESA-N 0 2 375.372 3.395 10 0 GGAELN C[C@H](C1CC1)n1nccc1NS(=O)(=O)c1ccc(OC(F)F)c(F)c1 ZINC000279108062 565596077 /nfs/dbraw/zinc/59/60/77/565596077.db2.gz QYEMRZLUQHQDDY-SECBINFHSA-N 0 2 375.372 3.395 10 0 GGAELN Cn1c2ccc(Cl)cc2nc1NS(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000173999874 565605817 /nfs/dbraw/zinc/60/58/17/565605817.db2.gz FQSKVVNHFKPHRV-UHFFFAOYSA-N 0 2 375.759 3.445 10 0 GGAELN C[C@H]1CCC[N@H+](Cc2nc(-c3cccc(Br)c3)no2)[C@@H]1C(=O)[O-] ZINC000324393316 565617558 /nfs/dbraw/zinc/61/75/58/565617558.db2.gz MXHBSNGBTKEQPZ-HZMBPMFUSA-N 0 2 380.242 3.184 10 0 GGAELN C[C@H]1CCC[N@@H+](Cc2nc(-c3cccc(Br)c3)no2)[C@@H]1C(=O)[O-] ZINC000324393316 565617564 /nfs/dbraw/zinc/61/75/64/565617564.db2.gz MXHBSNGBTKEQPZ-HZMBPMFUSA-N 0 2 380.242 3.184 10 0 GGAELN CC[C@@H]1CCc2nc(NS(=O)(=O)c3ccc(C(=O)OC)cc3)sc2C1 ZINC000409535654 565622377 /nfs/dbraw/zinc/62/23/77/565622377.db2.gz KRCDOIJCEQHSPK-LLVKDONJSA-N 0 2 380.491 3.245 10 0 GGAELN COCc1csc(NS(=O)(=O)c2cc(Br)c(F)cc2C)n1 ZINC000191764001 565629294 /nfs/dbraw/zinc/62/92/94/565629294.db2.gz GWDPWDUBYPVORF-UHFFFAOYSA-N 0 2 395.275 3.300 10 0 GGAELN CS(=O)(=O)c1ccccc1S(=O)(=O)Nc1cc(Cl)c(F)c(Cl)c1 ZINC000191803192 565633476 /nfs/dbraw/zinc/63/34/76/565633476.db2.gz XQHKCTCLVNQZPZ-UHFFFAOYSA-N 0 2 398.264 3.337 10 0 GGAELN C[C@@H](C1CC1)n1nccc1NC(=O)C(=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000192081025 565656487 /nfs/dbraw/zinc/65/64/87/565656487.db2.gz OSIKXNDOYXRXGA-QMMMGPOBSA-N 0 2 383.235 3.444 10 0 GGAELN Cc1cc(NS(=O)(=O)c2ccccc2S(C)(=O)=O)ccc1C(F)(F)F ZINC000174757117 565656491 /nfs/dbraw/zinc/65/64/91/565656491.db2.gz BKQSJZIYNVALGV-UHFFFAOYSA-N 0 2 393.408 3.218 10 0 GGAELN CS(=O)(=O)c1ccccc1S(=O)(=O)Nc1ccc2ccc(Cl)cc2n1 ZINC000410326811 565676929 /nfs/dbraw/zinc/67/69/29/565676929.db2.gz GBMPMBUBNDLLIF-UHFFFAOYSA-N 0 2 396.877 3.093 10 0 GGAELN O=S(=O)(Nc1cccc(-c2nc[nH]n2)c1)c1cccc(Br)c1F ZINC000410383005 565680419 /nfs/dbraw/zinc/68/04/19/565680419.db2.gz MYIWURWXGUXUMS-UHFFFAOYSA-N 0 2 397.229 3.174 10 0 GGAELN Cc1ccc(S(=O)(=O)C[C@@H](C)NC(=O)c2cc(F)c(O)c(Cl)c2)cc1 ZINC000192526964 565697544 /nfs/dbraw/zinc/69/75/44/565697544.db2.gz OLEXDGFKQPCCLQ-LLVKDONJSA-N 0 2 385.844 3.085 10 0 GGAELN COc1cc(Cl)c(S(=O)(=O)Nc2ccc3c(C)[nH]nc3c2)cc1OC ZINC000192801413 565711157 /nfs/dbraw/zinc/71/11/57/565711157.db2.gz FXFPWNGZBUEKBF-UHFFFAOYSA-N 0 2 381.841 3.343 10 0 GGAELN Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)Nc2nc(C(C)C)cs2)c1 ZINC000330638419 565715841 /nfs/dbraw/zinc/71/58/41/565715841.db2.gz CPPCMOFGECRQSE-UHFFFAOYSA-N 0 2 388.536 3.088 10 0 GGAELN COc1cc(Br)cc(S(=O)(=O)Nc2cn(C)nc2C(C)C)c1 ZINC000281279901 565720650 /nfs/dbraw/zinc/72/06/50/565720650.db2.gz XLCXXRFQPVDFGG-UHFFFAOYSA-N 0 2 388.287 3.115 10 0 GGAELN CC[C@@H]1CCC[C@H](NC(=O)C(=O)N=c2nc(-c3sccc3C)[nH]s2)C1 ZINC000411281496 565723139 /nfs/dbraw/zinc/72/31/39/565723139.db2.gz TYSWJQWACNLVEY-NEPJUHHUSA-N 0 2 378.523 3.020 10 0 GGAELN Cc1ccsc1-c1nc(=NC(=O)C(=O)N[C@H](C)CCCC(C)C)s[nH]1 ZINC000411301846 565723902 /nfs/dbraw/zinc/72/39/02/565723902.db2.gz ZRASUUMBMBHDKE-GFCCVEGCSA-N 0 2 380.539 3.266 10 0 GGAELN Cc1ccsc1-c1nc(=NC(=O)C(=O)N[C@@H](C)CCCC(C)C)s[nH]1 ZINC000411301849 565723938 /nfs/dbraw/zinc/72/39/38/565723938.db2.gz ZRASUUMBMBHDKE-LBPRGKRZSA-N 0 2 380.539 3.266 10 0 GGAELN COC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1cccc(Cl)c1N(C)C ZINC000193153919 565735927 /nfs/dbraw/zinc/73/59/27/565735927.db2.gz LDNLXQIZDNCXAS-UHFFFAOYSA-N 0 2 386.857 3.203 10 0 GGAELN CC(C)=CCC[C@H](C)NC(=O)C(=O)N=c1nc(-c2sccc2C)[nH]s1 ZINC000411575311 565736812 /nfs/dbraw/zinc/73/68/12/565736812.db2.gz MQQFBFKPUOFRSL-LBPRGKRZSA-N 0 2 378.523 3.187 10 0 GGAELN Cn1cc([C@@H]2CCN(C(=O)c3cc(Cl)cc(Br)c3O)C2)cn1 ZINC000176297986 565763516 /nfs/dbraw/zinc/76/35/16/565763516.db2.gz GUBNNMCBOKLVJS-SECBINFHSA-N 0 2 384.661 3.171 10 0 GGAELN CCc1nn(C)cc1NS(=O)(=O)c1c(Cl)cccc1Br ZINC000282207405 565769135 /nfs/dbraw/zinc/76/91/35/565769135.db2.gz MLRONTUUKQYEOP-UHFFFAOYSA-N 0 2 378.679 3.199 10 0 GGAELN CCn1nccc1S(=O)(=O)Nc1ccc(F)cc1OCCC(F)(F)F ZINC000282219318 565770762 /nfs/dbraw/zinc/77/07/62/565770762.db2.gz REKVENOBEJQWIW-UHFFFAOYSA-N 0 2 381.351 3.174 10 0 GGAELN C[C@@H]1CCc2nc(NS(=O)(=O)c3ccc(C(F)(F)F)nc3)sc2C1 ZINC000332118927 565807021 /nfs/dbraw/zinc/80/70/21/565807021.db2.gz BSGKLXBJSGGSBH-MRVPVSSYSA-N 0 2 377.413 3.483 10 0 GGAELN C[C@H]1CCc2nc(NS(=O)(=O)c3ccc(C(F)(F)F)nc3)sc2C1 ZINC000332118929 565807824 /nfs/dbraw/zinc/80/78/24/565807824.db2.gz BSGKLXBJSGGSBH-QMMMGPOBSA-N 0 2 377.413 3.483 10 0 GGAELN O=C(Nc1cnn(-c2ncccn2)c1)c1cc(Cl)cc(Br)c1O ZINC000177169632 565833286 /nfs/dbraw/zinc/83/32/86/565833286.db2.gz KRKYELQNTXOFQL-UHFFFAOYSA-N 0 2 394.616 3.036 10 0 GGAELN O=S(=O)(Nc1nnc(C2CCCCC2)o1)c1ccc(C(F)(F)F)nc1 ZINC000194782309 565837400 /nfs/dbraw/zinc/83/74/00/565837400.db2.gz MKCJGXBFDPAOPR-UHFFFAOYSA-N 0 2 376.360 3.332 10 0 GGAELN Cc1cc(S(=O)(=O)Nc2nnc([C@H]3Cc4ccccc4O3)o2)c(C)s1 ZINC000194824241 565841025 /nfs/dbraw/zinc/84/10/25/565841025.db2.gz JDLQRRKDQGAQTD-CYBMUJFWSA-N 0 2 377.447 3.225 10 0 GGAELN Cc1nn(C)c(Cl)c1S(=O)(=O)Nc1nnc(C[C@H](C)CC(C)(C)C)o1 ZINC000194884492 565845597 /nfs/dbraw/zinc/84/55/97/565845597.db2.gz KAXNQDLGBBTAPA-VIFPVBQESA-N 0 2 389.909 3.181 10 0 GGAELN O=S(=O)(Cc1ccccc1)c1n[nH]c(-c2ccccc2Br)n1 ZINC000195110912 565859793 /nfs/dbraw/zinc/85/97/93/565859793.db2.gz ZMXHWSPPIFVINO-UHFFFAOYSA-N 0 2 378.251 3.208 10 0 GGAELN COCc1ccc(OC)c(S(=O)(=O)Nc2ncc(C(F)(F)F)s2)c1 ZINC000285010833 565882424 /nfs/dbraw/zinc/88/24/24/565882424.db2.gz GXJISLJWKXEQQC-UHFFFAOYSA-N 0 2 382.385 3.118 10 0 GGAELN O=C(N=c1nc(-c2cccc(Cl)c2)[nH]s1)N1CC[C@@H](O)CC12CCC2 ZINC000333862238 565900537 /nfs/dbraw/zinc/90/05/37/565900537.db2.gz QFBYDMSZOXHPBL-CYBMUJFWSA-N 0 2 378.885 3.192 10 0 GGAELN COCc1csc(NS(=O)(=O)c2cccc(Br)c2C)n1 ZINC000178185721 565904141 /nfs/dbraw/zinc/90/41/41/565904141.db2.gz JVNWOFDXTJVARP-UHFFFAOYSA-N 0 2 377.285 3.161 10 0 GGAELN Cc1nn(C)c(C)c1NS(=O)(=O)c1cc(C)c(Br)cc1F ZINC000414366970 565916159 /nfs/dbraw/zinc/91/61/59/565916159.db2.gz CXAADWBSMOXJGE-UHFFFAOYSA-N 0 2 376.251 3.048 10 0 GGAELN CCOc1ccncc1S(=O)(=O)Nc1ccc(OCC(F)(F)F)cc1 ZINC000414370215 565916962 /nfs/dbraw/zinc/91/69/62/565916962.db2.gz KFUPPTABLYBGBE-UHFFFAOYSA-N 0 2 376.356 3.222 10 0 GGAELN Cc1nn(C)c(S(=O)(=O)Nc2cccc(Cl)c2N(C)C)c1C(F)F ZINC000414369145 565917384 /nfs/dbraw/zinc/91/73/84/565917384.db2.gz IJDPUYXMJHNNAV-UHFFFAOYSA-N 0 2 378.832 3.186 10 0 GGAELN COC(C)(C)CS(=O)(=O)Nc1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000414380284 565919806 /nfs/dbraw/zinc/91/98/06/565919806.db2.gz IPDKUNDRBYWNOQ-CQSZACIVSA-N 0 2 391.917 3.455 10 0 GGAELN O=S(=O)(Nc1cc(Cl)cc(Br)c1)c1cnc2n1CCC2 ZINC000414386010 565920731 /nfs/dbraw/zinc/92/07/31/565920731.db2.gz SMHSTBPBYXUKBC-UHFFFAOYSA-N 0 2 376.663 3.046 10 0 GGAELN CCOc1ccncc1S(=O)(=O)Nc1cccc(NCC(F)(F)F)c1 ZINC000414384803 565920901 /nfs/dbraw/zinc/92/09/01/565920901.db2.gz QKATZBRJESIHRK-UHFFFAOYSA-N 0 2 375.372 3.255 10 0 GGAELN O=S(=O)(Nc1ccc(F)cc1N1CCOCC1)c1ccc(Cl)cc1F ZINC000414402035 565924258 /nfs/dbraw/zinc/92/42/58/565924258.db2.gz YTEZKWCPBYBHHW-UHFFFAOYSA-N 0 2 388.823 3.256 10 0 GGAELN Cn1ncc(Cl)c1S(=O)(=O)Nc1ccc(Cl)c(Br)c1 ZINC000228008510 565924805 /nfs/dbraw/zinc/92/48/05/565924805.db2.gz SOSBQWHSTDINPA-UHFFFAOYSA-N 0 2 385.070 3.290 10 0 GGAELN CCCCCc1nnc(NS(=O)(=O)c2c(C(F)F)c(C)nn2C)s1 ZINC000414441772 565933000 /nfs/dbraw/zinc/93/30/00/565933000.db2.gz KDUCVMNHYDKBIL-UHFFFAOYSA-N 0 2 379.458 3.051 10 0 GGAELN CNC(=O)c1cc(Cl)c(C)c(S(=O)(=O)Nc2ncccc2C(C)C)c1 ZINC000414443956 565933094 /nfs/dbraw/zinc/93/30/94/565933094.db2.gz OQVGXMIEAHJZFY-UHFFFAOYSA-N 0 2 381.885 3.327 10 0 GGAELN CNC(=O)c1cc(Cl)c(C)c(S(=O)(=O)Nc2nc(C3CC3)cs2)c1 ZINC000414445107 565933194 /nfs/dbraw/zinc/93/31/94/565933194.db2.gz VWQCLEMLOKJCTB-UHFFFAOYSA-N 0 2 385.898 3.143 10 0 GGAELN CCCCCn1nc(C)cc1NS(=O)(=O)c1c(C(F)F)c(C)nn1C ZINC000414441551 565933388 /nfs/dbraw/zinc/93/33/88/565933388.db2.gz JMJLNSKDNNNSBN-UHFFFAOYSA-N 0 2 375.445 3.162 10 0 GGAELN CNC(=O)c1cc(Cl)c(C)c(S(=O)(=O)Nc2nc(C(C)C)cs2)c1 ZINC000414442735 565933753 /nfs/dbraw/zinc/93/37/53/565933753.db2.gz QPUYYRMAMWRLFX-UHFFFAOYSA-N 0 2 387.914 3.389 10 0 GGAELN CCCc1csc(NS(=O)(=O)c2cc(C(=O)NC)cc(Cl)c2C)n1 ZINC000414447871 565934793 /nfs/dbraw/zinc/93/47/93/565934793.db2.gz YIXUKZWGHAHPOX-UHFFFAOYSA-N 0 2 387.914 3.218 10 0 GGAELN COc1cc(OC)c(S(=O)(=O)Nc2cc(C3CC3)nc(C)n2)cc1Cl ZINC000414448476 565934846 /nfs/dbraw/zinc/93/48/46/565934846.db2.gz AIDDTTYYJUYTRM-UHFFFAOYSA-N 0 2 383.857 3.134 10 0 GGAELN Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000235815975 565936426 /nfs/dbraw/zinc/93/64/26/565936426.db2.gz DNCXDVKKIDQBDK-UHFFFAOYSA-N 0 2 378.679 3.254 10 0 GGAELN COc1cc(S(=O)(=O)Nc2c(C)c(C(F)(F)F)nn2C)ccc1Cl ZINC000414462166 565937649 /nfs/dbraw/zinc/93/76/49/565937649.db2.gz YIIMXOZOMVGKKS-UHFFFAOYSA-N 0 2 383.779 3.210 10 0 GGAELN CCc1nc(NS(=O)(=O)c2c(C)nn(COC)c2C)sc1C(C)(C)C ZINC000414471305 565938850 /nfs/dbraw/zinc/93/88/50/565938850.db2.gz OLRRKHPMXBPKKG-UHFFFAOYSA-N 0 2 386.543 3.221 10 0 GGAELN O=S(=O)(Nc1nccs1)c1ccc(-c2nc(-c3cscn3)no2)cc1 ZINC000350570046 565939053 /nfs/dbraw/zinc/93/90/53/565939053.db2.gz VEAGVELAUGHKKV-UHFFFAOYSA-N 0 2 391.459 3.117 10 0 GGAELN Cc1nc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)c(C)s1 ZINC000179230562 565968417 /nfs/dbraw/zinc/96/84/17/565968417.db2.gz OUFBYHQRSRVOFA-UHFFFAOYSA-N 0 2 394.503 3.270 10 0 GGAELN O=C(c1ccc(Cl)c(Cl)c1O)N1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000179442044 565981005 /nfs/dbraw/zinc/98/10/05/565981005.db2.gz CIRNMQDZTVYGMS-CQSZACIVSA-N 0 2 379.243 3.402 10 0 GGAELN CCc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2O)cc1S(N)(=O)=O ZINC000179482178 565983299 /nfs/dbraw/zinc/98/32/99/565983299.db2.gz WMFZIJLAOFURBB-UHFFFAOYSA-N 0 2 389.260 3.161 10 0 GGAELN CC[C@H](C)NC(=O)[C@H]1CSCN1C(=O)c1ccc(Cl)c(Cl)c1O ZINC000179496693 565984160 /nfs/dbraw/zinc/98/41/60/565984160.db2.gz STIDKWJEHBIQMZ-GZMMTYOYSA-N 0 2 377.293 3.129 10 0 GGAELN CC(C)(C)NC(=O)[C@H]1CSCN1C(=O)c1ccc(Cl)c(Cl)c1O ZINC000179513816 565985678 /nfs/dbraw/zinc/98/56/78/565985678.db2.gz BREAGSSIAHUIFT-SNVBAGLBSA-N 0 2 377.293 3.129 10 0 GGAELN CCOC(=O)c1csc(CNC(=O)c2ccc(Cl)c(Cl)c2O)n1 ZINC000179564835 565988523 /nfs/dbraw/zinc/98/85/23/565988523.db2.gz WZBOEGSMHSBVMQ-UHFFFAOYSA-N 0 2 375.233 3.262 10 0 GGAELN CC(C)[C@@H](C)NC(=O)[C@@H]1CSCN1C(=O)c1ccc(Cl)c(Cl)c1O ZINC000179570739 565989851 /nfs/dbraw/zinc/98/98/51/565989851.db2.gz HHRWQTUSNZQXIN-SKDRFNHKSA-N 0 2 391.320 3.375 10 0 GGAELN C[C@@H]1CN(Cc2ccc(Br)c3cccnc23)C[C@H]1[NH+]1CCOCC1 ZINC000245963201 566011830 /nfs/dbraw/zinc/01/18/30/566011830.db2.gz MXHBDSCRJJZMSQ-RDTXWAMCSA-N 0 2 390.325 3.150 10 0 GGAELN O=S(=O)(Nc1c[nH]nc1-c1ccccn1)c1ccc(Br)s1 ZINC000179834353 566012087 /nfs/dbraw/zinc/01/20/87/566012087.db2.gz FPJZFAGRPTZWQP-UHFFFAOYSA-N 0 2 385.268 3.097 10 0 GGAELN Cn1cc(C(=O)C[C@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2O)cn1 ZINC000179906030 566017208 /nfs/dbraw/zinc/01/72/08/566017208.db2.gz NVZWMRJVFMZQHM-LLVKDONJSA-N 0 2 382.247 3.310 10 0 GGAELN Cc1nnc(-c2cccc(NS(=O)(=O)c3c(F)cccc3Cl)c2)n1C ZINC000364063632 566033565 /nfs/dbraw/zinc/03/35/65/566033565.db2.gz NDIAOLVOWNYQJT-UHFFFAOYSA-N 0 2 380.832 3.384 10 0 GGAELN COC(=O)c1cncc(NS(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)c1 ZINC000180145447 566036780 /nfs/dbraw/zinc/03/67/80/566036780.db2.gz ADIIOPKGZZXZIS-UHFFFAOYSA-N 0 2 394.758 3.341 10 0 GGAELN Cc1cc(S(=O)(=O)Nc2noc(COc3ccc(C)cc3)n2)c(C)s1 ZINC000180312050 566053976 /nfs/dbraw/zinc/05/39/76/566053976.db2.gz DDXZBRBCWGFAIT-UHFFFAOYSA-N 0 2 379.463 3.436 10 0 GGAELN CC(C)c1nn(C)cc1NS(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000288163201 566059904 /nfs/dbraw/zinc/05/99/04/566059904.db2.gz HUKYTTOOQJSEFI-UHFFFAOYSA-N 0 2 381.351 3.382 10 0 GGAELN C[C@@H]1CCOCCN1C(=O)N=c1ccc(-c2ccc(Br)s2)n[nH]1 ZINC000365433950 566101574 /nfs/dbraw/zinc/10/15/74/566101574.db2.gz DDPRXCWFVNCANT-SNVBAGLBSA-N 0 2 397.298 3.032 10 0 GGAELN O=C(N=c1nc(-c2ccsc2)[nH]s1)N1CCC(C(=O)C(F)(F)F)CC1 ZINC000365569165 566108405 /nfs/dbraw/zinc/10/84/05/566108405.db2.gz WQTLWBDDJVMCLN-UHFFFAOYSA-N 0 2 390.412 3.064 10 0 GGAELN Cc1ccc([C@H]2COCCN2C(=O)N=c2nc(-c3ccsc3)[nH]s2)o1 ZINC000365562276 566108815 /nfs/dbraw/zinc/10/88/15/566108815.db2.gz NOBYAMKTWOGNMN-GFCCVEGCSA-N 0 2 376.463 3.195 10 0 GGAELN Cn1nccc1C1=CCN(C(=O)c2cc(Cl)cc(Br)c2O)CC1 ZINC000289366438 566120267 /nfs/dbraw/zinc/12/02/67/566120267.db2.gz NFNRFEZWHDVQDX-UHFFFAOYSA-N 0 2 396.672 3.471 10 0 GGAELN Cn1nccc1C1=CCN(C(=O)c2cc(Br)cc(Cl)c2O)CC1 ZINC000289406878 566121198 /nfs/dbraw/zinc/12/11/98/566121198.db2.gz QVHFPNGVADDMQZ-UHFFFAOYSA-N 0 2 396.672 3.471 10 0 GGAELN Cc1cc(NS(=O)(=O)c2ccc(C(F)(F)F)nc2)ncc1Br ZINC000181319485 566132473 /nfs/dbraw/zinc/13/24/73/566132473.db2.gz AAVRBZFERQLLTJ-UHFFFAOYSA-N 0 2 396.188 3.367 10 0 GGAELN COc1ccc(S(=O)(=O)Nc2nc3cc(Cl)ccc3n2C)c(C)c1F ZINC000181317833 566132722 /nfs/dbraw/zinc/13/27/22/566132722.db2.gz GZQLXGRQOMOAFU-UHFFFAOYSA-N 0 2 383.832 3.484 10 0 GGAELN O=C(N=c1nc(-c2ccsc2)[nH]s1)N1CCO[C@@H](c2cccs2)C1 ZINC000366101255 566135465 /nfs/dbraw/zinc/13/54/65/566135465.db2.gz ZOJYJAHDIXVLAD-LLVKDONJSA-N 0 2 378.504 3.355 10 0 GGAELN O=C(N=c1nc(-c2ccsc2)[nH]s1)N1CCO[C@H](c2cccs2)C1 ZINC000366101256 566135642 /nfs/dbraw/zinc/13/56/42/566135642.db2.gz ZOJYJAHDIXVLAD-NSHDSACASA-N 0 2 378.504 3.355 10 0 GGAELN COC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1nnc(-c2ccsc2)s1 ZINC000366179547 566139151 /nfs/dbraw/zinc/13/91/51/566139151.db2.gz PXGWRPGTIZMUCZ-UHFFFAOYSA-N 0 2 399.475 3.064 10 0 GGAELN COc1cc(Cl)c(S(=O)(=O)Nc2cn(C)nc2C2CC2)cc1Cl ZINC000291076212 566204115 /nfs/dbraw/zinc/20/41/15/566204115.db2.gz JJTWJVLJLZZRHG-UHFFFAOYSA-N 0 2 376.265 3.414 10 0 GGAELN Cc1cc(Br)cc(C)c1S(=O)(=O)Nc1cn(C)nc1C1CC1 ZINC000291137995 566206446 /nfs/dbraw/zinc/20/64/46/566206446.db2.gz OUCYAYYPTQZXJM-UHFFFAOYSA-N 0 2 384.299 3.478 10 0 GGAELN Cn1cc(NS(=O)(=O)c2cc(F)c(Br)cc2F)c(C2CC2)n1 ZINC000291275107 566212974 /nfs/dbraw/zinc/21/29/74/566212974.db2.gz ZRXDJJIYXZRAMA-UHFFFAOYSA-N 0 2 392.225 3.139 10 0 GGAELN CS(=O)(=O)c1ccccc1S(=O)(=O)Nc1ccc2cccc(Cl)c2n1 ZINC000182962234 566232415 /nfs/dbraw/zinc/23/24/15/566232415.db2.gz SEBZLSDROFMVGQ-UHFFFAOYSA-N 0 2 396.877 3.093 10 0 GGAELN CCc1noc(C)c1NS(=O)(=O)c1cc(F)c(Br)cc1OC ZINC000183097719 566237895 /nfs/dbraw/zinc/23/78/95/566237895.db2.gz GNNSOWKGYOULEE-UHFFFAOYSA-N 0 2 393.234 3.256 10 0 GGAELN CCc1ccc(S(=O)(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)nc2)s1 ZINC000481859042 566257626 /nfs/dbraw/zinc/25/76/26/566257626.db2.gz NUAMVSVRGSEROD-STQMWFEESA-N 0 2 381.523 3.120 10 0 GGAELN CCc1ccc(S(=O)(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)nc2)s1 ZINC000481859040 566258275 /nfs/dbraw/zinc/25/82/75/566258275.db2.gz NUAMVSVRGSEROD-CHWSQXEVSA-N 0 2 381.523 3.120 10 0 GGAELN [O-]c1c(Br)cc(C[N@@H+]2CCC3(COC3)C2)cc1Br ZINC000668718565 566258728 /nfs/dbraw/zinc/25/87/28/566258728.db2.gz ACIPNUFBDGYMMG-UHFFFAOYSA-N 0 2 377.076 3.140 10 0 GGAELN [O-]c1c(Br)cc(C[N@H+]2CCC3(COC3)C2)cc1Br ZINC000668718565 566258735 /nfs/dbraw/zinc/25/87/35/566258735.db2.gz ACIPNUFBDGYMMG-UHFFFAOYSA-N 0 2 377.076 3.140 10 0 GGAELN CCC(F)(F)CNS(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC ZINC000599433925 566265425 /nfs/dbraw/zinc/26/54/25/566265425.db2.gz MZZDMQXZGUOQAD-UHFFFAOYSA-N 0 2 376.208 3.104 10 0 GGAELN Cc1ccc2c(n1)[nH]cc(C(=O)N[C@@H](C)c1ccc(Br)cn1)c2=O ZINC000481935405 566267895 /nfs/dbraw/zinc/26/78/95/566267895.db2.gz NSTZGNSTZFPVAO-JTQLQIEISA-N 0 2 387.237 3.292 10 0 GGAELN CCc1[nH]nc(C(=O)N(CC)[C@H](COC)Cc2ccccc2)c1Br ZINC000556061643 566268736 /nfs/dbraw/zinc/26/87/36/566268736.db2.gz CGTJDBXCWPAPBG-AWEZNQCLSA-N 0 2 394.313 3.454 10 0 GGAELN COc1ccc(NS(=O)(=O)c2cc(F)cc(Cl)c2)c(OC)c1OC ZINC000535137166 566279832 /nfs/dbraw/zinc/27/98/32/566279832.db2.gz JAAIZNGHZFGWPQ-UHFFFAOYSA-N 0 2 375.805 3.306 10 0 GGAELN COC(=O)c1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)nc2C)s1 ZINC000509377423 566296720 /nfs/dbraw/zinc/29/67/20/566296720.db2.gz GUGASNKJTTYKLI-UHFFFAOYSA-N 0 2 380.369 3.058 10 0 GGAELN CO[C@@H](CS(=O)(=O)Nc1nc(C)c(Cc2ccccc2F)s1)C1CC1 ZINC000575922933 566297525 /nfs/dbraw/zinc/29/75/25/566297525.db2.gz PBECDRDZYQHRMZ-HNNXBMFYSA-N 0 2 384.498 3.348 10 0 GGAELN CC(=O)Nc1cc(F)c(S(=O)(=O)NCC2CCCCC2)c(F)c1Cl ZINC000462458546 566305447 /nfs/dbraw/zinc/30/54/47/566305447.db2.gz ZSKLARIYXYGNBK-UHFFFAOYSA-N 0 2 380.844 3.435 10 0 GGAELN COC(=O)c1ccc(S(=O)(=O)Nc2cc(F)c(OC)c(F)c2)c(Cl)c1 ZINC000509588054 566317077 /nfs/dbraw/zinc/31/70/77/566317077.db2.gz UIPKFRLXPINNGY-UHFFFAOYSA-N 0 2 391.779 3.214 10 0 GGAELN COc1cc(NS(=O)(=O)c2cc(C)sc2C)ncc1Br ZINC000535691288 566320454 /nfs/dbraw/zinc/32/04/54/566320454.db2.gz YMAQGPMTZFGMEE-UHFFFAOYSA-N 0 2 377.285 3.332 10 0 GGAELN O=C([O-])[C@@]1(C(F)(F)F)CC[N@H+](Cc2nc3cc(Br)ccc3[nH]2)C1 ZINC000576167082 566321200 /nfs/dbraw/zinc/32/12/00/566321200.db2.gz OZNRKKULSCUUEZ-CYBMUJFWSA-N 0 2 392.175 3.164 10 0 GGAELN O=C([O-])[C@@]1(C(F)(F)F)CC[N@@H+](Cc2nc3cc(Br)ccc3[nH]2)C1 ZINC000576167082 566321205 /nfs/dbraw/zinc/32/12/05/566321205.db2.gz OZNRKKULSCUUEZ-CYBMUJFWSA-N 0 2 392.175 3.164 10 0 GGAELN O=C([O-])[C@@]1(C(F)(F)F)CC[N@H+](Cc2nc3ccc(Br)cc3[nH]2)C1 ZINC000576167082 566321210 /nfs/dbraw/zinc/32/12/10/566321210.db2.gz OZNRKKULSCUUEZ-CYBMUJFWSA-N 0 2 392.175 3.164 10 0 GGAELN O=C([O-])[C@@]1(C(F)(F)F)CC[N@@H+](Cc2nc3ccc(Br)cc3[nH]2)C1 ZINC000576167082 566321216 /nfs/dbraw/zinc/32/12/16/566321216.db2.gz OZNRKKULSCUUEZ-CYBMUJFWSA-N 0 2 392.175 3.164 10 0 GGAELN CC(C)OCCS(=O)(=O)Nc1cc(Cl)ccc1OCC(F)(F)F ZINC000482685320 566327047 /nfs/dbraw/zinc/32/70/47/566327047.db2.gz BVUKNDSAQVNWHF-UHFFFAOYSA-N 0 2 375.796 3.448 10 0 GGAELN C[C@@H](CC(=O)N1CCC(c2n[nH]c(=O)[nH]2)CC1)c1ccc(Br)cc1 ZINC000648888307 566327491 /nfs/dbraw/zinc/32/74/91/566327491.db2.gz DGUPVFNGVOWFST-NSHDSACASA-N 0 2 393.285 3.173 10 0 GGAELN O=C(c1[nH]c2ccc(Cl)cc2c1Cl)N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000535838347 566332574 /nfs/dbraw/zinc/33/25/74/566332574.db2.gz XZPROYDMTXTYSW-UHFFFAOYSA-N 0 2 380.235 3.318 10 0 GGAELN Cc1nc([C@@H]2CCCCN2C(=O)c2cc(Br)c(F)cc2O)no1 ZINC000648986690 566337998 /nfs/dbraw/zinc/33/79/98/566337998.db2.gz RPPQZSPABNHHIU-LBPRGKRZSA-N 0 2 384.205 3.353 10 0 GGAELN C[C@H]1CN(C(=O)c2cc(Br)c(F)cc2O)C[C@@H](C(F)(F)F)O1 ZINC000649027461 566339387 /nfs/dbraw/zinc/33/93/87/566339387.db2.gz LNCBJJJLBLYBLV-KGFZYKRKSA-N 0 2 386.139 3.086 10 0 GGAELN C[C@@H]1CN(C(=O)c2cc(Br)c(F)cc2O)C[C@H](C(F)(F)F)O1 ZINC000649027462 566339679 /nfs/dbraw/zinc/33/96/79/566339679.db2.gz LNCBJJJLBLYBLV-KSBSHMNSSA-N 0 2 386.139 3.086 10 0 GGAELN CC[C@H](CS(=O)(=O)Nc1cc(Cl)ccc1OCC(F)(F)F)OC ZINC000421138428 566348498 /nfs/dbraw/zinc/34/84/98/566348498.db2.gz AYHNQXOMFOMVON-SNVBAGLBSA-N 0 2 375.796 3.448 10 0 GGAELN CC(=O)Nc1cc(F)c(S(=O)(=O)NC[C@H]2CCCC23CC3)c(F)c1Cl ZINC000625670974 566349424 /nfs/dbraw/zinc/34/94/24/566349424.db2.gz SSWUSPUNOHAHFU-SNVBAGLBSA-N 0 2 392.855 3.435 10 0 GGAELN Cc1nn(C)cc1[C@@H]1CCCN1C(=O)c1cc(Br)c(F)cc1O ZINC000649190441 566351131 /nfs/dbraw/zinc/35/11/31/566351131.db2.gz XSSMEOAHDBLAJX-AWEZNQCLSA-N 0 2 382.233 3.313 10 0 GGAELN CCc1ccc(S(=O)(=O)Nc2ccc(O[C@H](C)C(=O)OC)c(F)c2)s1 ZINC000600662525 566355387 /nfs/dbraw/zinc/35/53/87/566355387.db2.gz MXMDUOCXLKOHGT-SNVBAGLBSA-N 0 2 387.454 3.191 10 0 GGAELN CCc1ccc(S(=O)(=O)Nc2ccc(O[C@@H](C)C(=O)OC)c(F)c2)s1 ZINC000600662522 566355932 /nfs/dbraw/zinc/35/59/32/566355932.db2.gz MXMDUOCXLKOHGT-JTQLQIEISA-N 0 2 387.454 3.191 10 0 GGAELN COC(=O)c1nc(NS(=O)(=O)c2ccc(C)c(F)c2F)sc1C(C)C ZINC000600668570 566357767 /nfs/dbraw/zinc/35/77/67/566357767.db2.gz MYLCBIYDDYQUIU-UHFFFAOYSA-N 0 2 390.433 3.441 10 0 GGAELN COC(=O)c1sc(NS(=O)(=O)c2ccc(C)c(F)c2F)nc1C(C)C ZINC000600668384 566357803 /nfs/dbraw/zinc/35/78/03/566357803.db2.gz LXWVAPPNMHUDKP-UHFFFAOYSA-N 0 2 390.433 3.441 10 0 GGAELN COc1c(Br)cc(Cl)cc1NS(=O)(=O)C[C@H](OC)C1CC1 ZINC000576582803 566360518 /nfs/dbraw/zinc/36/05/18/566360518.db2.gz GWAPUGZZOPFFFO-LBPRGKRZSA-N 0 2 398.706 3.278 10 0 GGAELN O=C(N[C@@H]1CC12CCCC2)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000576621461 566364253 /nfs/dbraw/zinc/36/42/53/566364253.db2.gz XLTKQVQXALSBHH-CQSZACIVSA-N 0 2 377.491 3.006 10 0 GGAELN COC(=O)c1cc(F)c(C)c(S(=O)(=O)Nc2nc(C3CCC3)cs2)c1 ZINC000446964811 566375242 /nfs/dbraw/zinc/37/52/42/566375242.db2.gz CUKNDKVXLMSKIX-UHFFFAOYSA-N 0 2 384.454 3.446 10 0 GGAELN CC[C@H](NS(=O)(=O)c1c(F)c(F)cc(F)c1F)c1c(C)nn(C)c1C ZINC000510336853 566376424 /nfs/dbraw/zinc/37/64/24/566376424.db2.gz NWOGZEPUPOTUTB-NSHDSACASA-N 0 2 379.379 3.023 10 0 GGAELN COC(=O)c1ccc(C(=O)N=c2nc(-c3sccc3C)[nH]s2)c(F)c1 ZINC000483391305 566379050 /nfs/dbraw/zinc/37/90/50/566379050.db2.gz IBKTUUPHUDVYLQ-UHFFFAOYSA-N 0 2 377.422 3.175 10 0 GGAELN Cc1cc(S(=O)(=O)Nc2nnc(C3CCOCC3)s2)c(Cl)cc1F ZINC000649632851 566380722 /nfs/dbraw/zinc/38/07/22/566380722.db2.gz BBAHZDOBYDPQIK-UHFFFAOYSA-N 0 2 391.877 3.334 10 0 GGAELN Cn1nc(CC(=O)Nc2cc(Cl)c(O)c(Cl)c2)c2ccccc2c1=O ZINC000463105079 566384840 /nfs/dbraw/zinc/38/48/40/566384840.db2.gz KCHDIXUCNNKVQE-UHFFFAOYSA-N 0 2 378.215 3.127 10 0 GGAELN O=C(N[C@H]1CCN(c2ccccc2Br)C1)c1c(O)cc(F)cc1F ZINC000601037688 566385331 /nfs/dbraw/zinc/38/53/31/566385331.db2.gz PPNDEIVZSDTCPD-NSHDSACASA-N 0 2 397.219 3.442 10 0 GGAELN CCc1ccc(NS(=O)(=O)c2ccc([C@@H](C)NC(C)=O)s2)cc1OC ZINC000649684570 566385790 /nfs/dbraw/zinc/38/57/90/566385790.db2.gz ABFJDOINZSEVMR-LLVKDONJSA-N 0 2 382.507 3.317 10 0 GGAELN O=C(NC[C@@H](CO)c1ccccc1)c1cc(Cl)cc(Br)c1O ZINC000447091537 566386396 /nfs/dbraw/zinc/38/63/96/566386396.db2.gz SOTIELNMNWGASV-NSHDSACASA-N 0 2 384.657 3.314 10 0 GGAELN C[C@H](CN=c1[nH]nc(C2CCOCC2)s1)Oc1ccccc1Br ZINC000576998560 566396948 /nfs/dbraw/zinc/39/69/48/566396948.db2.gz JXEYQJDKSUIZKA-LLVKDONJSA-N 0 2 398.326 3.496 10 0 GGAELN Cc1[nH+]ccc(NC([O-])=C(C[C@@H]2CCCO2)C(F)(F)F)c1Br ZINC000649949054 566407718 /nfs/dbraw/zinc/40/77/18/566407718.db2.gz NGOGUNXFVHWTCJ-UWVGGRQHSA-N 0 2 381.192 3.261 10 0 GGAELN O=C(N=c1cccn[nH]1)N[C@H]1CCCSc2ccc(Br)cc21 ZINC000626434110 566410497 /nfs/dbraw/zinc/41/04/97/566410497.db2.gz RBPSCIKJKDQMEL-LBPRGKRZSA-N 0 2 379.283 3.410 10 0 GGAELN Cc1c(Br)ccc(C(=O)Nc2ccc(-c3nc(=O)o[nH]3)cc2)c1F ZINC000447451122 566411280 /nfs/dbraw/zinc/41/12/80/566411280.db2.gz PHXGGWAHHZKGCK-UHFFFAOYSA-N 0 2 392.184 3.492 10 0 GGAELN Cc1c[nH]c(=O)n1-c1ccccc1NS(=O)(=O)c1c(F)cccc1Cl ZINC000463516734 566415248 /nfs/dbraw/zinc/41/52/48/566415248.db2.gz NOJDYNFIGZYIIN-UHFFFAOYSA-N 0 2 381.816 3.480 10 0 GGAELN Cc1ccsc1-c1nc(=NC(=O)N[C@H](C2CC2)C2CCOCC2)s[nH]1 ZINC000650132935 566426846 /nfs/dbraw/zinc/42/68/46/566426846.db2.gz PMHNZYIEYANTMP-CYBMUJFWSA-N 0 2 378.523 3.324 10 0 GGAELN CCCOc1ccc(Cl)cc1NS(=O)(=O)CC1(OC)CCOCC1 ZINC000650166399 566430452 /nfs/dbraw/zinc/43/04/52/566430452.db2.gz WGKOMFIPOLMEPH-UHFFFAOYSA-N 0 2 377.890 3.066 10 0 GGAELN C[C@@H]1COCC[C@H]1C(=O)N=c1ccc(-c2ccc(Br)s2)n[nH]1 ZINC000484583996 566436992 /nfs/dbraw/zinc/43/69/92/566436992.db2.gz NNSMPGMGTVECDX-NXEZZACHSA-N 0 2 382.283 3.001 10 0 GGAELN COc1cc(F)c(S(=O)(=O)Nc2ncc(-c3cccnc3)s2)c(F)c1 ZINC000671669319 566437203 /nfs/dbraw/zinc/43/72/03/566437203.db2.gz PZKUDWQEIOWJQD-UHFFFAOYSA-N 0 2 383.401 3.293 10 0 GGAELN CCC(CC)(CC(=O)OC)NC(=O)N=c1nc(-c2sccc2C)[nH]s1 ZINC000484659414 566445049 /nfs/dbraw/zinc/44/50/49/566445049.db2.gz XSPDFLHEIXFGLV-UHFFFAOYSA-N 0 2 382.511 3.240 10 0 GGAELN O=C(N=c1nc(-c2ccsc2)[nH]s1)NCc1noc(-c2cccs2)n1 ZINC000447997863 566451323 /nfs/dbraw/zinc/45/13/23/566451323.db2.gz FQWYFXZPFIWSRF-UHFFFAOYSA-N 0 2 390.475 3.122 10 0 GGAELN C[C@@H](CNC(=O)N=c1nc(-c2ccsc2)[nH]s1)Oc1ccc(F)cc1 ZINC000447995109 566451363 /nfs/dbraw/zinc/45/13/63/566451363.db2.gz XHTBYQPSHOAACF-JTQLQIEISA-N 0 2 378.454 3.417 10 0 GGAELN CCO[C@H]1C[C@@H](N(C)C(=O)N=c2nc(-c3ccsc3)[nH]s2)C12CCC2 ZINC000447997699 566451405 /nfs/dbraw/zinc/45/14/05/566451405.db2.gz CZGRQRVYXAJSCT-OLZOCXBDSA-N 0 2 378.523 3.500 10 0 GGAELN O=C(N=c1nc(-c2ccsc2)[nH]s1)N[C@H]1CCOc2ccc(F)cc21 ZINC000447991685 566452240 /nfs/dbraw/zinc/45/22/40/566452240.db2.gz NEFGRVBRXLRKSL-LBPRGKRZSA-N 0 2 376.438 3.473 10 0 GGAELN CCOC(=O)CC1(NC(=O)N=c2nc(-c3ccsc3)[nH]s2)CCCC1 ZINC000447998456 566452507 /nfs/dbraw/zinc/45/25/07/566452507.db2.gz HJYYVOMMWQPVBR-UHFFFAOYSA-N 0 2 380.495 3.076 10 0 GGAELN O=C(N=c1nc(-c2ccsc2)[nH]s1)N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000448009458 566453100 /nfs/dbraw/zinc/45/31/00/566453100.db2.gz JSDWAFMMQQNVGB-JHJVBQTASA-N 0 2 376.507 3.158 10 0 GGAELN Cc1cc(Br)c(F)c(C(=O)N2CCC[C@@H](C3N=NC(=O)O3)C2)c1 ZINC000626846223 566453900 /nfs/dbraw/zinc/45/39/00/566453900.db2.gz KAJPTZBDCDOJFH-SECBINFHSA-N 0 2 384.205 3.005 10 0 GGAELN O=C(CNC(=O)N=c1nc(-c2ccsc2)[nH]s1)Nc1ccc(Cl)cc1 ZINC000448005159 566454037 /nfs/dbraw/zinc/45/40/37/566454037.db2.gz SUJGVYHRYYLJHS-UHFFFAOYSA-N 0 2 393.881 3.102 10 0 GGAELN COCc1ccccc1CS(=O)(=O)Nc1sc(C)c(C)c1C(=O)OC ZINC000577676471 566455615 /nfs/dbraw/zinc/45/56/15/566455615.db2.gz GKYHCYOQUYIYFJ-UHFFFAOYSA-N 0 2 383.491 3.240 10 0 GGAELN Cc1cc(S(=O)(=O)Nc2nc3c(s2)C(=O)NC(C)(C)C3)sc1Cl ZINC000650494313 566460544 /nfs/dbraw/zinc/46/05/44/566460544.db2.gz BAOVHBHOSSXGBG-UHFFFAOYSA-N 0 2 391.927 3.032 10 0 GGAELN CC(C)n1cnc(NS(=O)(=O)c2cccc(Cl)c2Br)n1 ZINC000650487173 566460720 /nfs/dbraw/zinc/46/07/20/566460720.db2.gz DMAXDRXCXHSPFN-UHFFFAOYSA-N 0 2 379.667 3.076 10 0 GGAELN CC(C)n1cnc(NS(=O)(=O)c2ccc(Br)cc2Cl)n1 ZINC000650488859 566461075 /nfs/dbraw/zinc/46/10/75/566461075.db2.gz TZFVTYVMHJPAIW-UHFFFAOYSA-N 0 2 379.667 3.076 10 0 GGAELN COCc1ccnc(NS(=O)(=O)c2cc(Br)sc2C)c1 ZINC000650495083 566461673 /nfs/dbraw/zinc/46/16/73/566461673.db2.gz ATXJJWDPNFFBET-UHFFFAOYSA-N 0 2 377.285 3.161 10 0 GGAELN O=C(NC1CCN(c2ccccn2)CC1)c1cc(Br)c(F)cc1O ZINC000448704474 566487307 /nfs/dbraw/zinc/48/73/07/566487307.db2.gz LVQZANULGKEUAY-UHFFFAOYSA-N 0 2 394.244 3.088 10 0 GGAELN Cn1ncc(Cl)c1S(=O)(=O)Nc1ccccc1NC(=O)c1cccs1 ZINC000485391630 566493399 /nfs/dbraw/zinc/49/33/99/566493399.db2.gz RKFYLDNNHBESGA-UHFFFAOYSA-N 0 2 396.881 3.188 10 0 GGAELN Cn1ncc(Cl)c1S(=O)(=O)Nc1ccc(OC(F)F)c2cccnc12 ZINC000485398171 566495066 /nfs/dbraw/zinc/49/50/66/566495066.db2.gz HKVCAQRNDJBQFN-UHFFFAOYSA-N 0 2 388.783 3.024 10 0 GGAELN Cn1ncc(Cl)c1S(=O)(=O)Nc1cccc(C(=O)c2ccccc2)c1 ZINC000485398791 566495662 /nfs/dbraw/zinc/49/56/62/566495662.db2.gz MUIHJVUEHMUSSQ-UHFFFAOYSA-N 0 2 375.837 3.105 10 0 GGAELN O=S(=O)(CCOCC1CC1)Nc1cc(Cl)ccc1OCC(F)(F)F ZINC000424058710 566505827 /nfs/dbraw/zinc/50/58/27/566505827.db2.gz AARLQHHSJMMHIX-UHFFFAOYSA-N 0 2 387.807 3.449 10 0 GGAELN COCn1nc(C)c(S(=O)(=O)Nc2ccc(Cl)cc2OC(F)F)c1C ZINC000424062208 566505962 /nfs/dbraw/zinc/50/59/62/566505962.db2.gz GSBSEDMBEMTGEG-UHFFFAOYSA-N 0 2 395.815 3.159 10 0 GGAELN CCc1oc(C(=O)OC)cc1S(=O)(=O)Nc1ccc(Cl)cc1COC ZINC000424088680 566511277 /nfs/dbraw/zinc/51/12/77/566511277.db2.gz USKACMUSDCRPMD-UHFFFAOYSA-N 0 2 387.841 3.229 10 0 GGAELN Cc1ccc(C2(C(=O)NCc3n[nH]c(=O)[nH]3)CCCCC2)c(Br)c1 ZINC000651431654 566521127 /nfs/dbraw/zinc/52/11/27/566521127.db2.gz PWKOBCNEEWAJDE-UHFFFAOYSA-N 0 2 393.285 3.100 10 0 GGAELN C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)[C@H]1C(=O)[O-] ZINC000424260387 566523577 /nfs/dbraw/zinc/52/35/77/566523577.db2.gz DKRAFEVUTJZTQD-YMTOWFKASA-N 0 2 378.778 3.482 10 0 GGAELN C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)[C@H]1C(=O)[O-] ZINC000424260387 566523582 /nfs/dbraw/zinc/52/35/82/566523582.db2.gz DKRAFEVUTJZTQD-YMTOWFKASA-N 0 2 378.778 3.482 10 0 GGAELN C[C@H]1CCC[N@H+](CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)[C@H]1C(=O)[O-] ZINC000424260379 566523777 /nfs/dbraw/zinc/52/37/77/566523777.db2.gz DKRAFEVUTJZTQD-LKFCYVNXSA-N 0 2 378.778 3.482 10 0 GGAELN C[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)[C@H]1C(=O)[O-] ZINC000424260379 566523780 /nfs/dbraw/zinc/52/37/80/566523780.db2.gz DKRAFEVUTJZTQD-LKFCYVNXSA-N 0 2 378.778 3.482 10 0 GGAELN C[C@@H]1CCC[N@H+](Cc2nc(Cc3cccc(Br)c3)no2)[C@H]1C(=O)[O-] ZINC000424277092 566525525 /nfs/dbraw/zinc/52/55/25/566525525.db2.gz ZWNLBACTYPEALZ-BDJLRTHQSA-N 0 2 394.269 3.108 10 0 GGAELN C[C@@H]1CCC[N@@H+](Cc2nc(Cc3cccc(Br)c3)no2)[C@H]1C(=O)[O-] ZINC000424277092 566525531 /nfs/dbraw/zinc/52/55/31/566525531.db2.gz ZWNLBACTYPEALZ-BDJLRTHQSA-N 0 2 394.269 3.108 10 0 GGAELN COc1cccc(-c2nsc(NS(=O)(=O)c3cccc(Cl)c3C)n2)c1 ZINC000512372502 566529844 /nfs/dbraw/zinc/52/98/44/566529844.db2.gz WGCPCLYKHUKHGD-UHFFFAOYSA-N 0 2 395.893 3.398 10 0 GGAELN CCc1c(NS(=O)(=O)c2cccnc2C(F)(F)F)cnn1CC(C)C ZINC000673479497 566537269 /nfs/dbraw/zinc/53/72/69/566537269.db2.gz GKJBYXYOKTTYAM-UHFFFAOYSA-N 0 2 376.404 3.316 10 0 GGAELN O=C(c1csc(-c2ccc(Cl)s2)n1)N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000559287455 566539384 /nfs/dbraw/zinc/53/93/84/566539384.db2.gz UELOJYCEVFWPJG-MRVPVSSYSA-N 0 2 395.897 3.369 10 0 GGAELN COc1cccc(S(O)=CC(=O)N2CC[C@H](c3ccc(Cl)cc3)C2)c1 ZINC000424665154 566555414 /nfs/dbraw/zinc/55/54/14/566555414.db2.gz NDCSCHRSQRLFBF-ODCWNRFASA-N 0 2 377.893 3.472 10 0 GGAELN O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)[C@@H]1CCC[C@@H](F)C1 ZINC000424698019 566560042 /nfs/dbraw/zinc/56/00/42/566560042.db2.gz DVTZLESESNRDBP-VXGBXAGGSA-N 0 2 383.470 3.411 10 0 GGAELN O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)[C@H]1CCC[C@H](F)C1 ZINC000424698016 566560511 /nfs/dbraw/zinc/56/05/11/566560511.db2.gz DVTZLESESNRDBP-RYUDHWBXSA-N 0 2 383.470 3.411 10 0 GGAELN O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)[C@H]1CCC[C@@H](F)C1 ZINC000424698013 566560523 /nfs/dbraw/zinc/56/05/23/566560523.db2.gz DVTZLESESNRDBP-NWDGAFQWSA-N 0 2 383.470 3.411 10 0 GGAELN CC1(c2nc(=NC(=O)[C@@H]3CCOc4ccc(Br)cc43)s[nH]2)CC1 ZINC000628540299 566564983 /nfs/dbraw/zinc/56/49/83/566564983.db2.gz CVFBGXNWWSOWFV-SNVBAGLBSA-N 0 2 394.294 3.279 10 0 GGAELN CC1(c2nc(=NC(=O)C[C@H]3Sc4ccc(Cl)cc4NC3=O)s[nH]2)CC1 ZINC000628539578 566565094 /nfs/dbraw/zinc/56/50/94/566565094.db2.gz KKSCEDULBHZRKC-LLVKDONJSA-N 0 2 394.909 3.107 10 0 GGAELN CC1(c2nc(=NC(=O)C[C@@H]3Sc4ccc(Cl)cc4NC3=O)s[nH]2)CC1 ZINC000628539579 566565124 /nfs/dbraw/zinc/56/51/24/566565124.db2.gz KKSCEDULBHZRKC-NSHDSACASA-N 0 2 394.909 3.107 10 0 GGAELN COc1c(Br)ccc(F)c1C(=O)N=c1nc(C2(C)CC2)[nH]s1 ZINC000628540359 566565142 /nfs/dbraw/zinc/56/51/42/566565142.db2.gz MKBBUCZEZOGQAW-UHFFFAOYSA-N 0 2 386.246 3.174 10 0 GGAELN COc1c(Br)c(C)sc1C(=O)N=c1nc(C2(C)CC2)[nH]s1 ZINC000628539904 566565184 /nfs/dbraw/zinc/56/51/84/566565184.db2.gz BOQQBFYQPMZWHZ-UHFFFAOYSA-N 0 2 388.312 3.405 10 0 GGAELN CC1(c2nc(=NC(=O)C3(c4ccc(Br)cc4)CC3)s[nH]2)CC1 ZINC000628539529 566565228 /nfs/dbraw/zinc/56/52/28/566565228.db2.gz AJYOENQDVXVFHS-UHFFFAOYSA-N 0 2 378.295 3.444 10 0 GGAELN Cc1cc(S(=O)(=O)Nc2cccc(-n3cnc(N(C)C)n3)c2)sc1Cl ZINC000559961494 566579290 /nfs/dbraw/zinc/57/92/90/566579290.db2.gz BAMANILFKRBLCR-UHFFFAOYSA-N 0 2 397.913 3.157 10 0 GGAELN COC(=O)c1cccc(Cl)c1S(=O)(=O)Nc1cccc2c1OCCC2 ZINC000560006373 566584150 /nfs/dbraw/zinc/58/41/50/566584150.db2.gz OJVMADSILMPDBW-UHFFFAOYSA-N 0 2 381.837 3.252 10 0 GGAELN Cn1nc(-c2ccsc2)cc1NS(=O)(=O)c1cnccc1C(F)(F)F ZINC000486557582 566597883 /nfs/dbraw/zinc/59/78/83/566597883.db2.gz OIBVERXIQXWXTG-UHFFFAOYSA-N 0 2 388.396 3.363 10 0 GGAELN Cc1cc(NS(=O)(=O)c2c(F)cccc2Cl)n(-c2cc(C)ccn2)n1 ZINC000486548522 566598076 /nfs/dbraw/zinc/59/80/76/566598076.db2.gz LMQJNRMORUBPRV-UHFFFAOYSA-N 0 2 380.832 3.477 10 0 GGAELN COC(=O)c1scc(C)c1S(=O)(=O)Nc1cc(-c2ccsc2)nn1C ZINC000486565103 566599152 /nfs/dbraw/zinc/59/91/52/566599152.db2.gz VLPMSIMHXSSQCG-UHFFFAOYSA-N 0 2 397.503 3.106 10 0 GGAELN COc1ccc(Br)cc1S(=O)(=O)Nc1cnccc1SC ZINC000674715482 566604641 /nfs/dbraw/zinc/60/46/41/566604641.db2.gz QIWLRRAUVCIHOV-UHFFFAOYSA-N 0 2 389.296 3.375 10 0 GGAELN O=C([C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000539925005 566613296 /nfs/dbraw/zinc/61/32/96/566613296.db2.gz OPBALOLDYKCPER-QWHCGFSZSA-N 0 2 381.263 3.327 10 0 GGAELN O=C([C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1)N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000539928757 566615292 /nfs/dbraw/zinc/61/52/92/566615292.db2.gz GHPGEQKCHOJLAB-KGLIPLIRSA-N 0 2 381.263 3.327 10 0 GGAELN Cc1cc(Br)cc(C)c1S(=O)(=O)Nc1nc2cccnc2n1C ZINC000467031366 566617739 /nfs/dbraw/zinc/61/77/39/566617739.db2.gz FNTJAWQNUQWUNS-UHFFFAOYSA-N 0 2 395.282 3.148 10 0 GGAELN O=C(c1ccc(S(=O)(=O)Nc2nccs2)cc1)N1CCC12CCCC2 ZINC000652573242 566619642 /nfs/dbraw/zinc/61/96/42/566619642.db2.gz NIKVRYRJJNLDQV-UHFFFAOYSA-N 0 2 377.491 3.103 10 0 GGAELN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)c1cc(Br)c(F)cc1O ZINC000449963027 566620365 /nfs/dbraw/zinc/62/03/65/566620365.db2.gz WQDSLXPBVSAACO-MRVPVSSYSA-N 0 2 384.249 3.005 10 0 GGAELN C[C@@H](NC(=O)c1cc(Br)c(F)cc1O)c1nc(C(C)(C)C)no1 ZINC000449994404 566622892 /nfs/dbraw/zinc/62/28/92/566622892.db2.gz HGYKROXRCBNBMC-SSDOTTSWSA-N 0 2 386.221 3.465 10 0 GGAELN CC(C)C[C@@H](NC(=O)C(=O)N=c1nc(C(C)(C)C)[nH]s1)c1cccs1 ZINC000606044031 566624563 /nfs/dbraw/zinc/62/45/63/566624563.db2.gz YAEMXTJMUXZHLD-LLVKDONJSA-N 0 2 380.539 3.161 10 0 GGAELN Cc1cnn(C)c1S(=O)(=O)Nc1nc(C)c(Cc2cccc(C)c2)s1 ZINC000560444267 566626966 /nfs/dbraw/zinc/62/69/66/566626966.db2.gz YWUCEQVVKJVPCU-UHFFFAOYSA-N 0 2 376.507 3.193 10 0 GGAELN C[C@H](N1CCN(C(=O)c2cc(Br)c(F)cc2O)CC1)C(F)(F)F ZINC000450048820 566628537 /nfs/dbraw/zinc/62/85/37/566628537.db2.gz OSHYEIHRFXLXHG-QMMMGPOBSA-N 0 2 399.182 3.002 10 0 GGAELN COC(=O)c1ccc(S(=O)(=O)Nc2nc(C)c(C(F)(F)F)s2)cc1 ZINC000579669981 566629101 /nfs/dbraw/zinc/62/91/01/566629101.db2.gz BRUWYYKEZCDFRK-UHFFFAOYSA-N 0 2 380.369 3.058 10 0 GGAELN CO[C@@H](C)c1nc(CNC(=O)c2cc(Br)c(F)cc2O)cs1 ZINC000450078746 566630731 /nfs/dbraw/zinc/63/07/31/566630731.db2.gz QDMLXZVLRKVHLV-ZETCQYMHSA-N 0 2 389.246 3.388 10 0 GGAELN Cc1[nH]ncc1C1CCN(C(=O)Cc2ccc(Br)cc2O)CC1 ZINC000560514268 566633933 /nfs/dbraw/zinc/63/39/33/566633933.db2.gz JEZICVHKLCYGCD-UHFFFAOYSA-N 0 2 378.270 3.135 10 0 GGAELN CCO[C@H](CS(=O)(=O)Nc1cc(Br)c(F)cc1OC)C1CC1 ZINC000629301782 566638860 /nfs/dbraw/zinc/63/88/60/566638860.db2.gz PUROWHVJFSTDLE-CQSZACIVSA-N 0 2 396.278 3.154 10 0 GGAELN CCCCOc1ccccc1NS(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000514136429 566645326 /nfs/dbraw/zinc/64/53/26/566645326.db2.gz PODROHUHMLYGGV-UHFFFAOYSA-N 0 2 383.491 3.070 10 0 GGAELN CO[C@@H](CS(=O)(=O)Nc1[nH]nc(C(F)(F)F)c1C)c1ccc(F)cc1 ZINC000629349026 566647647 /nfs/dbraw/zinc/64/76/47/566647647.db2.gz BHJUNTHVIFWIOT-NSHDSACASA-N 0 2 381.351 3.005 10 0 GGAELN CO[C@@H](CS(=O)(=O)Nc1n[nH]c(C(F)(F)F)c1C)c1ccc(F)cc1 ZINC000629349026 566647651 /nfs/dbraw/zinc/64/76/51/566647651.db2.gz BHJUNTHVIFWIOT-NSHDSACASA-N 0 2 381.351 3.005 10 0 GGAELN Cc1c(Br)cccc1CS(=O)(=O)Nc1nccc(C2CC2)n1 ZINC000629351755 566649515 /nfs/dbraw/zinc/64/95/15/566649515.db2.gz ZAPXECBYYXQHPV-UHFFFAOYSA-N 0 2 382.283 3.367 10 0 GGAELN CC[C@H](C)n1nc(NS(=O)(=O)c2cc3c(cc2Cl)OCCO3)cc1C ZINC000540496197 566654938 /nfs/dbraw/zinc/65/49/38/566654938.db2.gz JTLINRAOTZJREE-JTQLQIEISA-N 0 2 385.873 3.388 10 0 GGAELN O=S(=O)(Nc1cccc(Cl)c1O)c1cc2c(cc1Cl)OCCO2 ZINC000607101952 566656799 /nfs/dbraw/zinc/65/67/99/566656799.db2.gz CCAWUNGOJIWNII-UHFFFAOYSA-N 0 2 376.217 3.271 10 0 GGAELN CCc1ccc(S(=O)(=O)Nc2ccc(OCCCC(=O)OC)cc2)s1 ZINC000487265996 566660627 /nfs/dbraw/zinc/66/06/27/566660627.db2.gz ILSZCGWALFZQMA-UHFFFAOYSA-N 0 2 383.491 3.443 10 0 GGAELN COC(=O)Cc1ccc(S(=O)(=O)Nc2nc(CC(C)(C)C)cs2)cc1 ZINC000540650894 566662490 /nfs/dbraw/zinc/66/24/90/566662490.db2.gz DYNVLTRFWUIYFL-UHFFFAOYSA-N 0 2 382.507 3.248 10 0 GGAELN COCCCOc1cccc(C(=O)N=c2nc(-c3ccsc3)[nH]s2)c1 ZINC000607826271 566682164 /nfs/dbraw/zinc/68/21/64/566682164.db2.gz JGEZOVFPEXOJPG-UHFFFAOYSA-N 0 2 375.475 3.356 10 0 GGAELN Cc1ncc(Cl)c(C(=O)Nc2nc(-c3ccc(Br)cc3)n[nH]2)n1 ZINC000607895581 566686104 /nfs/dbraw/zinc/68/61/04/566686104.db2.gz MTNJENJCCBILHL-UHFFFAOYSA-N 0 2 393.632 3.238 10 0 GGAELN CC(C)(C)c1nnsc1C(=O)Nc1n[nH]c(-c2ccc(O)c(Cl)c2)n1 ZINC000450700358 566698517 /nfs/dbraw/zinc/69/85/17/566698517.db2.gz SXWFYIMNIOOSLE-UHFFFAOYSA-N 0 2 378.845 3.232 10 0 GGAELN Cc1cc(Br)ccc1S(=O)(=O)Nc1cc([C@H]2CCCO2)[nH]n1 ZINC000515345317 566706539 /nfs/dbraw/zinc/70/65/39/566706539.db2.gz VDHOCEVIOJZLAM-GFCCVEGCSA-N 0 2 386.271 3.133 10 0 GGAELN COc1ccc(NS(=O)(=O)c2cnn(-c3ccc(Cl)cc3)c2C)nc1 ZINC000608258474 566710637 /nfs/dbraw/zinc/71/06/37/566710637.db2.gz IGPQDDGMOFZFND-UHFFFAOYSA-N 0 2 378.841 3.039 10 0 GGAELN CC(C)(C)n1cnc(NS(=O)(=O)c2ccc(Br)c(Cl)c2)n1 ZINC000541289449 566712485 /nfs/dbraw/zinc/71/24/85/566712485.db2.gz PPBRTRYZPAKQJM-UHFFFAOYSA-N 0 2 393.694 3.250 10 0 GGAELN O=C([O-])c1csc(C[NH2+]Cc2cc(Br)ccc2OC(F)F)n1 ZINC000426675417 566723805 /nfs/dbraw/zinc/72/38/05/566723805.db2.gz RZBVATOTASYWGS-UHFFFAOYSA-N 0 2 393.209 3.495 10 0 GGAELN O=C([O-])c1csc(C[NH2+]Cc2cc(Cl)ccc2OC[C@H]2CCCO2)n1 ZINC000426674222 566723822 /nfs/dbraw/zinc/72/38/22/566723822.db2.gz JLRXQSJUEGMYLI-CYBMUJFWSA-N 0 2 382.869 3.342 10 0 GGAELN O=C([O-])[C@H](CN1CCCc2ccccc21)[NH2+]Cc1ccc(Br)o1 ZINC000426758179 566726666 /nfs/dbraw/zinc/72/66/66/566726666.db2.gz RNYURVSHRIOGSN-AWEZNQCLSA-N 0 2 379.254 3.038 10 0 GGAELN COc1cc(C)[nH+]c(CN[C@H](C(=O)[O-])c2cc(Br)ccc2OC)c1 ZINC000426745520 566727500 /nfs/dbraw/zinc/72/75/00/566727500.db2.gz HCMWDKCTBARVQW-INIZCTEOSA-N 0 2 395.253 3.085 10 0 GGAELN O=S(=O)(Nc1cccnc1C(F)(F)F)c1cc2c(cc1Cl)OCCO2 ZINC000515702258 566728884 /nfs/dbraw/zinc/72/88/84/566728884.db2.gz CKPLXPZLQSKFPQ-UHFFFAOYSA-N 0 2 394.758 3.326 10 0 GGAELN COc1ccc(C[NH2+][C@@H](C(=O)[O-])c2ccccc2OC)c(Br)c1O ZINC000426783421 566728804 /nfs/dbraw/zinc/72/88/04/566728804.db2.gz LBMBKTBTKUFAOZ-OAHLLOKOSA-N 0 2 396.237 3.087 10 0 GGAELN CCCc1cc(NS(=O)(=O)Cc2ccc(Br)c(F)c2)n[nH]1 ZINC000450979945 566728987 /nfs/dbraw/zinc/72/89/87/566728987.db2.gz SBBMAVQEVUDIRY-UHFFFAOYSA-N 0 2 376.251 3.206 10 0 GGAELN CC(C)(C)n1cnc(=NC(=O)NCC(C)(C)c2ccccc2Br)[nH]1 ZINC000541508187 566729493 /nfs/dbraw/zinc/72/94/93/566729493.db2.gz MTMVSEBVOUAVFC-UHFFFAOYSA-N 0 2 394.317 3.317 10 0 GGAELN C[C@H](Oc1ccccc1NS(=O)(=O)c1c(Cl)cnn1C)C(F)(F)F ZINC000561699586 566730745 /nfs/dbraw/zinc/73/07/45/566730745.db2.gz OQDNFSOIMBAFHQ-QMMMGPOBSA-N 0 2 383.779 3.204 10 0 GGAELN C[C@@H]1Cc2cc(S(=O)(=O)Nc3ccc(C(F)(F)F)nn3)cc(Cl)c2O1 ZINC000468802692 566731775 /nfs/dbraw/zinc/73/17/75/566731775.db2.gz CGSCEYUFBWEBPS-SSDOTTSWSA-N 0 2 393.774 3.273 10 0 GGAELN O=C(NCC1(O)Cc2ccccc2C1)c1cc(Br)cc(Cl)c1O ZINC000608760519 566734519 /nfs/dbraw/zinc/73/45/19/566734519.db2.gz BAMYFOYGHDGMHI-UHFFFAOYSA-N 0 2 396.668 3.068 10 0 GGAELN COc1cc(OC)c(S(=O)(=O)Nc2ncc(C(C)(C)C)s2)c(OC)c1 ZINC000488564947 566735156 /nfs/dbraw/zinc/73/51/56/566735156.db2.gz KXTLKCZXCLIKEA-UHFFFAOYSA-N 0 2 386.495 3.267 10 0 GGAELN COc1cc(OC)c(S(=O)(=O)Nc2nc3ccccc3s2)c(OC)c1 ZINC000488566410 566735304 /nfs/dbraw/zinc/73/53/04/566735304.db2.gz XMTVZIZOCGGFMW-UHFFFAOYSA-N 0 2 380.447 3.123 10 0 GGAELN COc1cc(C(F)(F)F)cc(S(=O)(=O)Nc2cnc(C(C)C)nc2)c1 ZINC000451017065 566736121 /nfs/dbraw/zinc/73/61/21/566736121.db2.gz OVVDSFROGPGRTB-UHFFFAOYSA-N 0 2 375.372 3.428 10 0 GGAELN O=C([O-])[C@@H]([NH2+]Cc1csc(COc2ccc(Cl)cc2)n1)[C@@H]1CCCO1 ZINC000630470452 566737011 /nfs/dbraw/zinc/73/70/11/566737011.db2.gz VDLNHCJHHXSFRO-HOCLYGCPSA-N 0 2 382.869 3.097 10 0 GGAELN COc1cc(C(F)(F)F)cc(S(=O)(=O)Nc2nc(C(F)(F)F)c[nH]2)c1 ZINC000451022401 566738031 /nfs/dbraw/zinc/73/80/31/566738031.db2.gz SJXCAGAYKXHRSS-UHFFFAOYSA-N 0 2 389.277 3.257 10 0 GGAELN CCn1c(NS(=O)(=O)c2cc(Cl)c(OC)cc2C)nc2cccnc21 ZINC000451040263 566741039 /nfs/dbraw/zinc/74/10/39/566741039.db2.gz QWNWKDIGROLTHF-UHFFFAOYSA-N 0 2 380.857 3.222 10 0 GGAELN O=C([O-])[C@@H]1CC[C@@H](C(=O)NCc2ccc(Cl)s2)[N@@H+]1Cc1ccccc1 ZINC000630646777 566743912 /nfs/dbraw/zinc/74/39/12/566743912.db2.gz ZSSLSVLJLAEIMU-GJZGRUSLSA-N 0 2 378.881 3.136 10 0 GGAELN O=C([O-])[C@@H]1CC[C@@H](C(=O)NCc2ccc(Cl)s2)[N@H+]1Cc1ccccc1 ZINC000630646777 566743917 /nfs/dbraw/zinc/74/39/17/566743917.db2.gz ZSSLSVLJLAEIMU-GJZGRUSLSA-N 0 2 378.881 3.136 10 0 GGAELN COC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1nc(CC(F)(F)F)cs1 ZINC000451056206 566745913 /nfs/dbraw/zinc/74/59/13/566745913.db2.gz NWCNHXONNUNBGO-UHFFFAOYSA-N 0 2 398.384 3.045 10 0 GGAELN CC(C)[C@H](NS(=O)(=O)c1cc(Br)ccc1F)C(F)(F)F ZINC000468963157 566748264 /nfs/dbraw/zinc/74/82/64/566748264.db2.gz OIEHNJDWMRTKFX-JTQLQIEISA-N 0 2 378.185 3.453 10 0 GGAELN COC(=O)c1cc2cccc(NS(=O)(=O)CCOCC(F)(F)F)c2s1 ZINC000451070966 566748781 /nfs/dbraw/zinc/74/87/81/566748781.db2.gz QIWULJKDTSSBSE-UHFFFAOYSA-N 0 2 397.396 3.009 10 0 GGAELN COC(=O)CCCCCNC(=O)N=c1nc(-c2cccc(Cl)c2)[nH]s1 ZINC000541799641 566749197 /nfs/dbraw/zinc/74/91/97/566749197.db2.gz ZMFIRDYKAXTADI-UHFFFAOYSA-N 0 2 382.873 3.135 10 0 GGAELN C[NH+](C)c1ccc(NS(=O)(=O)C[C@H]2CCCCC2(F)F)c(C(=O)[O-])c1 ZINC000654768095 566751270 /nfs/dbraw/zinc/75/12/70/566751270.db2.gz JCVGETJWZHFTGO-LLVKDONJSA-N 0 2 376.425 3.018 10 0 GGAELN Cc1ccc(S(=O)(=O)Nc2cnn(C)c2C(F)F)c(Br)c1 ZINC000677550271 566751473 /nfs/dbraw/zinc/75/14/73/566751473.db2.gz FXMKSSQUNSWHJV-UHFFFAOYSA-N 0 2 380.214 3.229 10 0 GGAELN Cn1ncc(NS(=O)(=O)c2ccc(OCC(F)(F)F)cc2)c1C(F)F ZINC000677552768 566753662 /nfs/dbraw/zinc/75/36/62/566753662.db2.gz YQIGNCDJKMQMLD-UHFFFAOYSA-N 0 2 385.314 3.100 10 0 GGAELN CSc1c[nH]nc1NS(=O)(=O)c1c(C)cc(Br)cc1C ZINC000541834700 566754272 /nfs/dbraw/zinc/75/42/72/566754272.db2.gz ONEOZZRYNHNTMZ-UHFFFAOYSA-N 0 2 376.301 3.312 10 0 GGAELN CC[C@H](NS(=O)(=O)c1cc(F)c(Br)cc1OC)C(F)(F)F ZINC000469124840 566763078 /nfs/dbraw/zinc/76/30/78/566763078.db2.gz YZJBGGFRPNHDIE-JTQLQIEISA-N 0 2 394.184 3.216 10 0 GGAELN COCc1cc(NS(=O)(=O)c2c(F)cccc2Cl)cc(C(=O)OC)c1 ZINC000427307698 566766255 /nfs/dbraw/zinc/76/62/55/566766255.db2.gz JIHVSFAJZYHGPZ-UHFFFAOYSA-N 0 2 387.816 3.213 10 0 GGAELN COC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)c3ccccc32)cn1 ZINC000542011402 566768688 /nfs/dbraw/zinc/76/86/88/566768688.db2.gz SFWQHZOWOLGGMB-UHFFFAOYSA-N 0 2 376.821 3.476 10 0 GGAELN Cc1ccc(S(=O)(=O)Nc2nnc(SCc3ccc(F)cc3)s2)cn1 ZINC000581357450 566770656 /nfs/dbraw/zinc/77/06/56/566770656.db2.gz RIEUSWOEDKQTFD-UHFFFAOYSA-N 0 2 396.494 3.474 10 0 GGAELN CSc1cc(Br)ccc1C(=O)N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000655041461 566773586 /nfs/dbraw/zinc/77/35/86/566773586.db2.gz MVZDPLMBTZQMJU-UHFFFAOYSA-N 0 2 397.298 3.015 10 0 GGAELN CSc1cc(NS(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2F)ccn1 ZINC000678031529 566777226 /nfs/dbraw/zinc/77/72/26/566777226.db2.gz RBIFQVMYMNQEBO-UHFFFAOYSA-N 0 2 389.861 3.355 10 0 GGAELN Cc1nc(NS(=O)(=O)c2cnn(C)c2C)sc1Cc1cccc(C)c1 ZINC000427755108 566794105 /nfs/dbraw/zinc/79/41/05/566794105.db2.gz FEYMEDZGNQMPNU-UHFFFAOYSA-N 0 2 376.507 3.193 10 0 GGAELN Cc1nc2ccc(S(=O)(=O)Nc3nc(-c4ccccc4)ns3)cc2s1 ZINC000427759537 566794362 /nfs/dbraw/zinc/79/43/62/566794362.db2.gz MNAACIGTEKWRHA-UHFFFAOYSA-N 0 2 388.499 3.346 10 0 GGAELN Cc1nc2ccc(S(=O)(=O)Nc3nnc(CC(F)(F)F)s3)cc2s1 ZINC000427768780 566795751 /nfs/dbraw/zinc/79/57/51/566795751.db2.gz FVZLNAXCKKGZPO-UHFFFAOYSA-N 0 2 394.425 3.362 10 0 GGAELN Cc1nc2ccc(S(=O)(=O)Nc3cccc(OCC(F)F)n3)cc2s1 ZINC000427787753 566798069 /nfs/dbraw/zinc/79/80/69/566798069.db2.gz VPTZBNXSERPVOQ-UHFFFAOYSA-N 0 2 385.417 3.444 10 0 GGAELN C[C@H](CCc1ccc(Br)cc1)NC(=O)N=c1ncn(C(C)(C)C)[nH]1 ZINC000542437532 566800290 /nfs/dbraw/zinc/80/02/90/566800290.db2.gz AUEKERBIXURUDB-GFCCVEGCSA-N 0 2 394.317 3.360 10 0 GGAELN C[C@H](c1ccccc1Br)N(C)C(=O)N=c1ncn(C(C)(C)C)[nH]1 ZINC000542437192 566800481 /nfs/dbraw/zinc/80/04/81/566800481.db2.gz PQSXWBMGBFDSDH-LLVKDONJSA-N 0 2 380.290 3.442 10 0 GGAELN CC(C)(C)n1cnc(=NC(=O)N2CCSC[C@H]2c2ccc(Cl)cc2)[nH]1 ZINC000542437218 566800689 /nfs/dbraw/zinc/80/06/89/566800689.db2.gz QNAZEPOQVPBJKW-AWEZNQCLSA-N 0 2 379.917 3.430 10 0 GGAELN Cc1ccc(S(=O)(=O)Nc2ccc(N3CCc4sccc4C3)nc2)o1 ZINC000678618505 566807710 /nfs/dbraw/zinc/80/77/10/566807710.db2.gz BFJULWLRMRIWRB-UHFFFAOYSA-N 0 2 375.475 3.408 10 0 GGAELN Cc1cc(Br)ccc1CN(C)C(=O)c1cc2c(cn1)OCCO2 ZINC000581880224 566811643 /nfs/dbraw/zinc/81/16/43/566811643.db2.gz XQJLYDUBHVTBQG-UHFFFAOYSA-N 0 2 377.238 3.196 10 0 GGAELN C[C@H](CCNC(=O)Nc1c(-c2cccs2)nc2ccccn21)[S@](C)=O ZINC000581877148 566812270 /nfs/dbraw/zinc/81/22/70/566812270.db2.gz ORAWOKKHKFKFBO-YDBLSZJJSA-N 0 2 376.507 3.341 10 0 GGAELN COc1cc(-c2nc([C@H](C)n3cc(Br)cn3)no2)cc(OC)c1O ZINC000581884217 566812348 /nfs/dbraw/zinc/81/23/48/566812348.db2.gz ZASRMXFNNFZTTB-QMMMGPOBSA-N 0 2 395.213 3.028 10 0 GGAELN COC(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000610191831 566813624 /nfs/dbraw/zinc/81/36/24/566813624.db2.gz HBYHEPVZCWFLRA-UHFFFAOYSA-N 0 2 379.743 3.345 10 0 GGAELN Cc1cc(C)c(C(=O)N2CCCC[C@@H]2c2n[nH]c(=O)[nH]2)cc1Br ZINC000562829825 566824815 /nfs/dbraw/zinc/82/48/15/566824815.db2.gz DGROUQXIWNAYML-CYBMUJFWSA-N 0 2 379.258 3.257 10 0 GGAELN O=S(=O)(NC1CCN(c2ccccc2)CC1)c1onc(C2CC2)c1Cl ZINC000631786534 566825390 /nfs/dbraw/zinc/82/53/90/566825390.db2.gz YFFPCZXOCKSDNS-UHFFFAOYSA-N 0 2 381.885 3.153 10 0 GGAELN Cc1ncsc1CCS(=O)(=O)N[C@@H](c1cc(F)ccc1F)C(F)F ZINC000451483838 566825410 /nfs/dbraw/zinc/82/54/10/566825410.db2.gz WEKLSYKRQGSKCD-ZDUSSCGKSA-N 0 2 382.404 3.198 10 0 GGAELN O=S(=O)(NC[C@@H]1CCN(c2ccccc2)C1)c1onc(C2CC2)c1Cl ZINC000631786657 566825512 /nfs/dbraw/zinc/82/55/12/566825512.db2.gz BEXDVOUILKIDAO-LBPRGKRZSA-N 0 2 381.885 3.010 10 0 GGAELN Cn1nccc1[C@H]1CCCN(C(=O)c2cc(Br)c(F)cc2O)C1 ZINC000451491720 566827401 /nfs/dbraw/zinc/82/74/01/566827401.db2.gz BRVXEQJXWPBBGQ-JTQLQIEISA-N 0 2 382.233 3.047 10 0 GGAELN O=S(=O)(N[C@H](C[C@H]1CCCO1)C(F)(F)F)c1cccc(Cl)c1F ZINC000655661827 566829773 /nfs/dbraw/zinc/82/97/73/566829773.db2.gz IXVPUDHKVQKEAB-LDYMZIIASA-N 0 2 375.771 3.257 10 0 GGAELN O=S(=O)(N[C@H](C[C@@H]1CCCO1)C(F)(F)F)c1c(F)cccc1Cl ZINC000655661965 566830153 /nfs/dbraw/zinc/83/01/53/566830153.db2.gz LMBNUZSRNDKENQ-GZMMTYOYSA-N 0 2 375.771 3.257 10 0 GGAELN O=S(=O)(N[C@H](C[C@H]1CCCO1)C(F)(F)F)c1cc(F)ccc1Cl ZINC000655661619 566830232 /nfs/dbraw/zinc/83/02/32/566830232.db2.gz GUYPUSBYIWKNQS-BXKDBHETSA-N 0 2 375.771 3.257 10 0 GGAELN O=S(=O)(N[C@@H](C[C@H]1CCCO1)C(F)(F)F)c1c(F)cccc1Cl ZINC000655661966 566830531 /nfs/dbraw/zinc/83/05/31/566830531.db2.gz LMBNUZSRNDKENQ-KCJUWKMLSA-N 0 2 375.771 3.257 10 0 GGAELN O=S(=O)(N[C@@H](C[C@@H]1CCCO1)C(F)(F)F)c1cccc(Cl)c1F ZINC000655661826 566830841 /nfs/dbraw/zinc/83/08/41/566830841.db2.gz IXVPUDHKVQKEAB-KWQFWETISA-N 0 2 375.771 3.257 10 0 GGAELN O=S(=O)(N[C@H](C[C@H]1CCCO1)C(F)(F)F)c1ccc(Cl)cc1F ZINC000655663625 566831959 /nfs/dbraw/zinc/83/19/59/566831959.db2.gz ILFDVOXWZGUQCV-BXKDBHETSA-N 0 2 375.771 3.257 10 0 GGAELN O=C(Nc1cc(I)ccc1O)c1c(O)cc(F)cc1F ZINC000610486447 566834279 /nfs/dbraw/zinc/83/42/79/566834279.db2.gz XZMSLMFWBTWKOI-UHFFFAOYSA-N 0 2 391.111 3.233 10 0 GGAELN Cc1ccc(S(=O)(=O)Nc2cc([C@@H]3CCCO3)[nH]n2)cc1C(F)(F)F ZINC000582156882 566835599 /nfs/dbraw/zinc/83/55/99/566835599.db2.gz NETXJRNPWBDOBS-ZDUSSCGKSA-N 0 2 375.372 3.389 10 0 GGAELN Cc1ccsc1-c1nc(=NC(=O)c2cc(C)nc(C(F)(F)F)n2)s[nH]1 ZINC000490228797 566836847 /nfs/dbraw/zinc/83/68/47/566836847.db2.gz DLJDSSDYMFPTIO-UHFFFAOYSA-N 0 2 385.396 3.366 10 0 GGAELN O=S(=O)(NCc1nc(C(F)(F)F)cs1)c1onc(C2CC2)c1Cl ZINC000632018307 566841939 /nfs/dbraw/zinc/84/19/39/566841939.db2.gz YNGKMNOQOHLMDH-UHFFFAOYSA-N 0 2 387.792 3.159 10 0 GGAELN C[C@@H]1CCN(C(=O)c2cccc(NS(=O)(=O)c3cccs3)c2)C[C@H]1F ZINC000679246593 566843224 /nfs/dbraw/zinc/84/32/24/566843224.db2.gz BVTCIHJHWWWMIQ-IUODEOHRSA-N 0 2 382.482 3.369 10 0 GGAELN C[C@H](NC(=O)CC1CSC1)c1ccccc1NS(=O)(=O)c1cccs1 ZINC000632104018 566849345 /nfs/dbraw/zinc/84/93/45/566849345.db2.gz AQLWHZSRFKQARB-LBPRGKRZSA-N 0 2 396.559 3.479 10 0 GGAELN O=S(=O)(N[C@@H](c1ccccc1OC(F)F)C(F)(F)F)c1cscn1 ZINC000563063606 566850392 /nfs/dbraw/zinc/85/03/92/566850392.db2.gz QHINAZBMNRHENA-JTQLQIEISA-N 0 2 388.339 3.326 10 0 GGAELN CCc1ccc(S(=O)(=O)Nc2ccccc2-c2nnnn2C(C)C)s1 ZINC000543164089 566858367 /nfs/dbraw/zinc/85/83/67/566858367.db2.gz UCZCCPBIWVJNHL-UHFFFAOYSA-N 0 2 377.495 3.346 10 0 GGAELN CC(C)C[C@]1(c2nc(-c3cc(F)c(O)c(Br)c3)no2)CCNC1=O ZINC000632176433 566858671 /nfs/dbraw/zinc/85/86/71/566858671.db2.gz RZPDXSFQVZSCBE-MRXNPFEDSA-N 0 2 398.232 3.148 10 0 GGAELN O=S(=O)(N[C@@H]1CCO[C@H](c2ccccc2)C1)c1onc(C2CC2)c1Cl ZINC000632218175 566863063 /nfs/dbraw/zinc/86/30/63/566863063.db2.gz NHZPKCDQCJQAEQ-KGLIPLIRSA-N 0 2 382.869 3.404 10 0 GGAELN COc1cc(Br)ccc1[C@H](C)NC(=O)N=c1ccc(C2CC2)n[nH]1 ZINC000470396284 566869511 /nfs/dbraw/zinc/86/95/11/566869511.db2.gz DBSVRBNNWBLDKK-JTQLQIEISA-N 0 2 391.269 3.430 10 0 GGAELN O=C(N[C@@H](CCO)c1ccccc1Br)c1c(O)cc(F)cc1F ZINC000679825146 566875332 /nfs/dbraw/zinc/87/53/32/566875332.db2.gz DJOWFUPQVZPMOF-ZDUSSCGKSA-N 0 2 386.192 3.286 10 0 GGAELN O=S(=O)(NCCc1cc(C(F)(F)F)ccn1)c1onc(C2CC2)c1Cl ZINC000632370578 566879272 /nfs/dbraw/zinc/87/92/72/566879272.db2.gz DMYLJPOPLWKBFP-UHFFFAOYSA-N 0 2 395.790 3.140 10 0 GGAELN COc1cc(S(=O)(=O)Nc2nc3c(s2)CSCC3)ccc1Cl ZINC000563383602 566879995 /nfs/dbraw/zinc/87/99/95/566879995.db2.gz DCEXANBHFXEMRD-UHFFFAOYSA-N 0 2 376.912 3.395 10 0 GGAELN COCc1csc(NS(=O)(=O)Cc2cccc(Br)c2C)n1 ZINC000656182334 566881640 /nfs/dbraw/zinc/88/16/40/566881640.db2.gz BULUBUCXQBZVGG-UHFFFAOYSA-N 0 2 391.312 3.302 10 0 GGAELN CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C(C)=O)c(Cl)c2)c(F)c1 ZINC000679925338 566883369 /nfs/dbraw/zinc/88/33/69/566883369.db2.gz LMGSDFNBHINTBU-UHFFFAOYSA-N 0 2 384.816 3.441 10 0 GGAELN CC(C)Oc1cncc(NS(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)n1 ZINC000656187206 566883386 /nfs/dbraw/zinc/88/33/86/566883386.db2.gz OMCUIKPYEVNFRS-UHFFFAOYSA-N 0 2 379.335 3.223 10 0 GGAELN C[C@@H]1CCCc2nc(S(=O)(=O)Nc3nnc(-c4ccsc4)s3)cn21 ZINC000563517477 566891650 /nfs/dbraw/zinc/89/16/50/566891650.db2.gz UTGKMRFNTYFETD-SECBINFHSA-N 0 2 381.508 3.161 10 0 GGAELN CCS[C@@H]1CCC[C@@H]1NC(=O)N=c1nc(-c2cccc(OC)c2)[nH]s1 ZINC000543621293 566894872 /nfs/dbraw/zinc/89/48/72/566894872.db2.gz LIHHGQXHKZNVHB-UONOGXRCSA-N 0 2 378.523 3.431 10 0 GGAELN CCS[C@@H]1CCC[C@H]1NC(=O)N=c1nc(-c2cccc(OC)c2)[nH]s1 ZINC000543621294 566895101 /nfs/dbraw/zinc/89/51/01/566895101.db2.gz LIHHGQXHKZNVHB-ZIAGYGMSSA-N 0 2 378.523 3.431 10 0 GGAELN CC(C)(C)n1cnc(=NC(=O)N[C@H]2CSc3ccc(Br)cc32)[nH]1 ZINC000563583691 566898094 /nfs/dbraw/zinc/89/80/94/566898094.db2.gz QZCGCAGVKJAVGG-NSHDSACASA-N 0 2 396.314 3.186 10 0 GGAELN O=S(=O)(CCOc1ccc(F)cc1)Nc1csc(-c2ccccn2)n1 ZINC000543711134 566905562 /nfs/dbraw/zinc/90/55/62/566905562.db2.gz OZCIMJWPEJRIFI-UHFFFAOYSA-N 0 2 379.438 3.165 10 0 GGAELN COCc1ccc(C(=O)Nc2nc(-c3ccccc3Br)n[nH]2)o1 ZINC000680499623 566913600 /nfs/dbraw/zinc/91/36/00/566913600.db2.gz NYBXAVOFRHXXGD-UHFFFAOYSA-N 0 2 377.198 3.226 10 0 GGAELN CCOc1c(Br)cc(CN=c2ccc(OC(C)C)n[nH]2)cc1OC ZINC000583116794 566921609 /nfs/dbraw/zinc/92/16/09/566921609.db2.gz UOKWEFFYTNDQRS-UHFFFAOYSA-N 0 2 396.285 3.468 10 0 GGAELN O=C(c1oc2ccccc2c1Br)N1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000632904250 566922431 /nfs/dbraw/zinc/92/24/31/566922431.db2.gz TVHQALAUACDUKD-VIFPVBQESA-N 0 2 391.225 3.039 10 0 GGAELN Cc1nn(C)c(C)c1NS(=O)(=O)c1cc(Cl)cc(Br)c1 ZINC000656615120 566922570 /nfs/dbraw/zinc/92/25/70/566922570.db2.gz ZHQMKWWSIKXYGI-UHFFFAOYSA-N 0 2 378.679 3.254 10 0 GGAELN CCc1oc(C(=O)N=c2ncn(Cc3ccc(Br)cc3)[nH]2)cc1C ZINC000471038044 566923309 /nfs/dbraw/zinc/92/33/09/566923309.db2.gz IWYIICAVPIYLJN-UHFFFAOYSA-N 0 2 389.253 3.227 10 0 GGAELN Cn1nc(CC(C)(C)C)cc1NS(=O)(=O)c1cccnc1C(F)(F)F ZINC000583167484 566927146 /nfs/dbraw/zinc/92/71/46/566927146.db2.gz WNMBFZPTRLHARK-UHFFFAOYSA-N 0 2 376.404 3.223 10 0 GGAELN CCn1nccc1S(=O)(=O)Nc1cc(Cl)c(Br)cc1C ZINC000656634358 566927508 /nfs/dbraw/zinc/92/75/08/566927508.db2.gz VFQVEBVIQVKJMN-UHFFFAOYSA-N 0 2 378.679 3.428 10 0 GGAELN CN1CCc2cc(NS(=O)(=O)c3ccc(C(F)(F)F)s3)ccc2C1=O ZINC000656634525 566927728 /nfs/dbraw/zinc/92/77/28/566927728.db2.gz CAVORBDLVVVNGN-UHFFFAOYSA-N 0 2 390.408 3.196 10 0 GGAELN COCc1ccc(NS(=O)(=O)c2c(C)nn(C)c2C)cc1C(F)(F)F ZINC000656635546 566929447 /nfs/dbraw/zinc/92/94/47/566929447.db2.gz ZTQSBEOIRZVHJI-UHFFFAOYSA-N 0 2 377.388 3.003 10 0 GGAELN Cc1cc(Br)cn2c(CN=c3ccc(OC(C)C)n[nH]3)cnc12 ZINC000583295637 566937293 /nfs/dbraw/zinc/93/72/93/566937293.db2.gz QPMRVNWGHFIPMM-UHFFFAOYSA-N 0 2 376.258 3.016 10 0 GGAELN CCc1ccc(S(=O)(=O)Nc2nnc(-c3cccc(N(C)C)c3)o2)s1 ZINC000583302251 566939463 /nfs/dbraw/zinc/93/94/63/566939463.db2.gz NAHHTQSIZHYKHD-UHFFFAOYSA-N 0 2 378.479 3.227 10 0 GGAELN Cn1nc2c(c1NS(=O)(=O)c1cc(Cl)cc(Br)c1)CCC2 ZINC000656732762 566940421 /nfs/dbraw/zinc/94/04/21/566940421.db2.gz WWIVEZAELVDXBK-UHFFFAOYSA-N 0 2 390.690 3.126 10 0 GGAELN CC(C)c1nc(NS(=O)(=O)c2cc(Cl)cc(Br)c2)no1 ZINC000656732844 566940771 /nfs/dbraw/zinc/94/07/71/566940771.db2.gz XKXBFNHYKSXMDH-UHFFFAOYSA-N 0 2 380.651 3.410 10 0 GGAELN CO[C@@H](CS(=O)(=O)N[C@@H](c1cc(F)ccc1F)C(F)F)C1CCCC1 ZINC000656732956 566941293 /nfs/dbraw/zinc/94/12/93/566941293.db2.gz CMGLOLACGYLWMQ-GJZGRUSLSA-N 0 2 383.407 3.396 10 0 GGAELN CC(C)CCc1nnc(NS(=O)(=O)c2cccc3c2OCCCO3)s1 ZINC000656736672 566942714 /nfs/dbraw/zinc/94/27/14/566942714.db2.gz NACLVBFLZVHBFI-UHFFFAOYSA-N 0 2 383.495 3.089 10 0 GGAELN CCc1ccc(C)nc1NS(=O)(=O)c1cc(C(=O)NC)cc(Cl)c1C ZINC000656737317 566943377 /nfs/dbraw/zinc/94/33/77/566943377.db2.gz AOBGIVCDXGAAPH-UHFFFAOYSA-N 0 2 381.885 3.075 10 0 GGAELN Cc1ccsc1Cn1nccc1NS(=O)(=O)c1cccc(N(C)C)c1 ZINC000493136457 566943962 /nfs/dbraw/zinc/94/39/62/566943962.db2.gz YYZKLKQBHIVNGL-UHFFFAOYSA-N 0 2 376.507 3.168 10 0 GGAELN CCN(C(C)=O)c1ccc(NS(=O)(=O)c2cc(C)c(F)cc2Cl)cn1 ZINC000656739295 566945090 /nfs/dbraw/zinc/94/50/90/566945090.db2.gz QXLFCUVZVFPIDS-UHFFFAOYSA-N 0 2 385.848 3.356 10 0 GGAELN CO[C@@H](CS(=O)(=O)Nc1ncc(Cc2c(F)cccc2F)s1)C1CC1 ZINC000656741829 566945922 /nfs/dbraw/zinc/94/59/22/566945922.db2.gz QLBUGUWVPARWAL-HNNXBMFYSA-N 0 2 388.461 3.179 10 0 GGAELN CCCc1cc(NS(=O)(=O)c2cc(Br)cc3cccnc32)[nH]n1 ZINC000564130955 566948872 /nfs/dbraw/zinc/94/88/72/566948872.db2.gz JCCVLMUJJDKYBY-UHFFFAOYSA-N 0 2 395.282 3.474 10 0 GGAELN CC(C)(C)[N@@H+]1CCc2nc([N-]S(=O)(=O)Cc3ccccc3F)sc2C1 ZINC000583435182 566950279 /nfs/dbraw/zinc/95/02/79/566950279.db2.gz UADKSVXLAKQMAC-UHFFFAOYSA-N 0 2 383.514 3.381 10 0 GGAELN CC(C)(C)[N@H+]1CCc2nc([N-]S(=O)(=O)Cc3ccccc3F)sc2C1 ZINC000583435182 566950285 /nfs/dbraw/zinc/95/02/85/566950285.db2.gz UADKSVXLAKQMAC-UHFFFAOYSA-N 0 2 383.514 3.381 10 0 GGAELN CC[C@H](Cc1ccccc1Br)NC(=O)N=c1ncn(C(C)(C)C)[nH]1 ZINC000544317704 566952922 /nfs/dbraw/zinc/95/29/22/566952922.db2.gz ABCWJRKEULTZFM-CYBMUJFWSA-N 0 2 394.317 3.360 10 0 GGAELN Cc1nc(NS(=O)(=O)c2c(C(F)F)c(C)nn2C)sc1C(F)(F)F ZINC000583552429 566962130 /nfs/dbraw/zinc/96/21/30/566962130.db2.gz ZZIPPONMUJKPQA-UHFFFAOYSA-N 0 2 390.359 3.251 10 0 GGAELN COc1cc(S(=O)(=O)Nc2cnn(CC(C)C)c2C(F)F)ccc1F ZINC000471616873 566966492 /nfs/dbraw/zinc/96/64/92/566966492.db2.gz CXSXRLHRPKIESV-UHFFFAOYSA-N 0 2 377.388 3.425 10 0 GGAELN Cc1nn2cc(S(=O)(=O)Nc3ccc(C4CCC4)cn3)cnc2c1Cl ZINC000519802391 566970829 /nfs/dbraw/zinc/97/08/29/566970829.db2.gz VPSLOUGWBPJWLW-UHFFFAOYSA-N 0 2 377.857 3.154 10 0 GGAELN Cc1cccc(S(=O)(=O)Nc2cc([C@H]3CCCO3)[nH]n2)c1Br ZINC000583728011 566977952 /nfs/dbraw/zinc/97/79/52/566977952.db2.gz KDWRSTYCOMRAJV-LLVKDONJSA-N 0 2 386.271 3.133 10 0 GGAELN Cc1nc([C@](C)(NC(=O)c2cc(Br)c(F)cc2O)C2CC2)no1 ZINC000452440344 566981506 /nfs/dbraw/zinc/98/15/06/566981506.db2.gz JAGQQYDSUNOFSU-OAHLLOKOSA-N 0 2 384.205 3.040 10 0 GGAELN CCn1nccc1S(=O)(=O)Nc1ccc(Cl)cc1OCC(F)(F)F ZINC000471918329 566984544 /nfs/dbraw/zinc/98/45/44/566984544.db2.gz JFIDTOWMSQEBPI-UHFFFAOYSA-N 0 2 383.779 3.298 10 0 GGAELN COc1ccc(S(=O)(=O)Nc2nc(-c3sccc3C)ns2)c(C)c1 ZINC000471911597 566985158 /nfs/dbraw/zinc/98/51/58/566985158.db2.gz NNEAXMGSIRCYRG-UHFFFAOYSA-N 0 2 381.504 3.115 10 0 GGAELN CCn1nccc1S(=O)(=O)Nc1ccccc1NC(=O)c1cccs1 ZINC000471916810 566985201 /nfs/dbraw/zinc/98/52/01/566985201.db2.gz DGUAHALRNDILKO-UHFFFAOYSA-N 0 2 376.463 3.018 10 0 GGAELN COC(=O)c1cc(F)c(C)c(S(=O)(=O)Nc2ncc(C(C)(C)C)s2)c1 ZINC000471910377 566985318 /nfs/dbraw/zinc/98/53/18/566985318.db2.gz YYIDVYDRTPSXPI-UHFFFAOYSA-N 0 2 386.470 3.476 10 0 GGAELN CCn1nccc1S(=O)(=O)Nc1cc(Br)ccc1N1CCCC1 ZINC000471914900 566985447 /nfs/dbraw/zinc/98/54/47/566985447.db2.gz LLTPWLYRQBCLJE-UHFFFAOYSA-N 0 2 399.314 3.067 10 0 GGAELN COC(=O)c1cc(F)c(C)c(S(=O)(=O)Nc2nc3ccccc3s2)c1 ZINC000471919450 566986400 /nfs/dbraw/zinc/98/64/00/566986400.db2.gz PPKHDYPHURVMLD-UHFFFAOYSA-N 0 2 380.422 3.331 10 0 GGAELN COC(=O)c1cc(F)c(C)c(S(=O)(=O)Nc2nccc3sccc32)c1 ZINC000471924767 566987274 /nfs/dbraw/zinc/98/72/74/566987274.db2.gz WVLVRZDFHISKOS-UHFFFAOYSA-N 0 2 380.422 3.331 10 0 GGAELN Cc1cc(Br)ccc1S(=O)(=O)Nc1cc(C(F)(F)F)[nH]n1 ZINC000471929368 566987558 /nfs/dbraw/zinc/98/75/58/566987558.db2.gz DIHYYIRNGDDKFC-UHFFFAOYSA-N 0 2 384.177 3.300 10 0 GGAELN COC(=O)c1cc(F)c(C)c(S(=O)(=O)Nc2nc3ccsc3s2)c1 ZINC000471946023 566988988 /nfs/dbraw/zinc/98/89/88/566988988.db2.gz IOYQBPDZFLSICW-UHFFFAOYSA-N 0 2 386.451 3.393 10 0 GGAELN COC(=O)c1cc(F)c(C)c(S(=O)(=O)Nc2cc(F)cc(Cl)c2O)c1 ZINC000471984738 566992163 /nfs/dbraw/zinc/99/21/63/566992163.db2.gz OXRLQJVRAKGGSV-UHFFFAOYSA-N 0 2 391.779 3.220 10 0 GGAELN CCn1nccc1S(=O)(=O)Nc1cc(Br)cc(C(F)(F)F)c1 ZINC000471983756 566992259 /nfs/dbraw/zinc/99/22/59/566992259.db2.gz CSGSKOKUGLWVHJ-UHFFFAOYSA-N 0 2 398.204 3.485 10 0 GGAELN CC(C)(C)c1nc(=N[C@@H]2CCO[C@H]2c2cncc(Br)c2)s[nH]1 ZINC000564783573 567007553 /nfs/dbraw/zinc/00/75/53/567007553.db2.gz DNVCJOKCDSNUFS-NEPJUHHUSA-N 0 2 383.315 3.357 10 0 GGAELN CN(Cc1ccc(Br)c(F)c1)C(=O)N=c1ncn(C(C)(C)C)[nH]1 ZINC000494584999 567009696 /nfs/dbraw/zinc/00/96/96/567009696.db2.gz XEERFSFIKQYTNF-UHFFFAOYSA-N 0 2 384.253 3.021 10 0 GGAELN CC(C)(C)c1cc(CS(=O)(=O)NCC(F)(F)c2cccc(F)c2)no1 ZINC000657080172 567012955 /nfs/dbraw/zinc/01/29/55/567012955.db2.gz NQZQGSDEYXYALT-UHFFFAOYSA-N 0 2 376.400 3.323 10 0 GGAELN O=C(c1s[n-]c(=O)c1Cl)N1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000584123159 567013586 /nfs/dbraw/zinc/01/35/86/567013586.db2.gz NBNPVKXGDDZOGT-UHFFFAOYSA-N 0 2 376.869 3.473 10 0 GGAELN Cc1ccsc1-c1nc(=NC(=O)c2csc(-c3cnn(C)c3)n2)s[nH]1 ZINC000472296676 567016209 /nfs/dbraw/zinc/01/62/09/567016209.db2.gz QBTLZPBAGKALKB-UHFFFAOYSA-N 0 2 388.503 3.106 10 0 GGAELN O=C(NCC1(CF)CCOCC1)c1cc(Br)cc(Cl)c1O ZINC000452817299 567019648 /nfs/dbraw/zinc/01/96/48/567019648.db2.gz WICSIUACEJQLDE-UHFFFAOYSA-N 0 2 380.641 3.304 10 0 GGAELN NC(=O)c1cccc(S(=O)(=O)Nc2ncc(-c3ccc(Cl)cc3)s2)c1 ZINC000584205174 567022136 /nfs/dbraw/zinc/02/21/36/567022136.db2.gz XOZPLFKNLZDDLV-UHFFFAOYSA-N 0 2 393.877 3.363 10 0 GGAELN CC(=O)Nc1cc(F)c(S(=O)(=O)NC[C@@H]2CCC[C@@H]3C[C@@H]32)c(F)c1Cl ZINC000657151110 567024952 /nfs/dbraw/zinc/02/49/52/567024952.db2.gz WZZVEIGDUBQRCA-VWYCJHECSA-N 0 2 392.855 3.291 10 0 GGAELN CCn1cc(-c2[nH]ncc2C(=O)NCCc2ccccc2Br)cn1 ZINC000494826830 567026412 /nfs/dbraw/zinc/02/64/12/567026412.db2.gz ZDBFSYXOYYPRBW-UHFFFAOYSA-N 0 2 388.269 3.028 10 0 GGAELN CC(C)CCc1ccccc1NS(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000520916429 567030824 /nfs/dbraw/zinc/03/08/24/567030824.db2.gz HIDXWPDPUIUDBY-UHFFFAOYSA-N 0 2 381.519 3.480 10 0 GGAELN COC(=O)c1cc(C)nc2nc(NS(=O)(=O)c3cc(C)sc3C)sc21 ZINC000521018747 567036756 /nfs/dbraw/zinc/03/67/56/567036756.db2.gz XEEQVFAFCFVKDI-UHFFFAOYSA-N 0 2 397.503 3.265 10 0 GGAELN Cc1ccsc1-c1nsc(NS(=O)(=O)c2c(C)nn(C(C)C)c2C)n1 ZINC000545313628 567038221 /nfs/dbraw/zinc/03/82/21/567038221.db2.gz PKAVOMIVNRHYBJ-UHFFFAOYSA-N 0 2 397.551 3.192 10 0 GGAELN Cc1cc(C(=O)N=c2cc(C)c(C)n[nH]2)nn1-c1ccc(Br)cc1 ZINC000430934695 567040550 /nfs/dbraw/zinc/04/05/50/567040550.db2.gz QLXYZDPKUMCCTB-UHFFFAOYSA-N 0 2 386.253 3.024 10 0 GGAELN O=S(=O)(Nc1nnc(C2CC2)o1)c1ccc(C(F)(F)C(F)(F)F)cc1 ZINC000634657574 567044644 /nfs/dbraw/zinc/04/46/44/567044644.db2.gz RBUIYSMBTKPCHP-UHFFFAOYSA-N 0 2 383.298 3.402 10 0 GGAELN COc1ccsc1S(=O)(=O)Nc1nnc(C(F)(F)C(F)(F)F)s1 ZINC000634659261 567045807 /nfs/dbraw/zinc/04/58/07/567045807.db2.gz GGYOXDYOPFSKMU-UHFFFAOYSA-N 0 2 395.356 3.063 10 0 GGAELN Cc1cccc(S(=O)(=O)Nc2nnc(C(F)(F)C(F)(F)F)s2)c1F ZINC000634659292 567045957 /nfs/dbraw/zinc/04/59/57/567045957.db2.gz IAPBJKKFMBIUJM-UHFFFAOYSA-N 0 2 391.318 3.441 10 0 GGAELN Cc1ccc(F)cc1S(=O)(=O)Nc1nnc(C(F)(F)C(F)(F)F)s1 ZINC000634659498 567046327 /nfs/dbraw/zinc/04/63/27/567046327.db2.gz XHMUTKAWMNYPEW-UHFFFAOYSA-N 0 2 391.318 3.441 10 0 GGAELN Cc1cccc(F)c1S(=O)(=O)Nc1nnc(C(F)(F)C(F)(F)F)s1 ZINC000634659276 567046898 /nfs/dbraw/zinc/04/68/98/567046898.db2.gz HJDBYGMTHGZCMJ-UHFFFAOYSA-N 0 2 391.318 3.441 10 0 GGAELN C[C@H]1C[C@H]1c1nnc(NS(=O)(=O)c2cccc(Br)c2Cl)o1 ZINC000634661881 567047963 /nfs/dbraw/zinc/04/79/63/567047963.db2.gz CUPDVNSTXYBWGC-NKWVEPMBSA-N 0 2 392.662 3.410 10 0 GGAELN COc1cc(C(F)(F)F)cc(S(=O)(=O)Nc2nnc([C@H]3C[C@H]3C)o2)c1 ZINC000634662424 567048485 /nfs/dbraw/zinc/04/84/85/567048485.db2.gz MTNCHACWKMXXQG-HQJQHLMTSA-N 0 2 377.344 3.021 10 0 GGAELN COc1cc(C(F)(F)F)cc(S(=O)(=O)Nc2nnc([C@@H]3C[C@@H]3C)o2)c1 ZINC000634662426 567048677 /nfs/dbraw/zinc/04/86/77/567048677.db2.gz MTNCHACWKMXXQG-WRWORJQWSA-N 0 2 377.344 3.021 10 0 GGAELN Cc1ccc2c(n1)[nH]cc(C(=O)N(C)Cc1ccc(Br)o1)c2=O ZINC000613674259 567055283 /nfs/dbraw/zinc/05/52/83/567055283.db2.gz CXIBFZVKNJNWPZ-UHFFFAOYSA-N 0 2 376.210 3.272 10 0 GGAELN O=C(c1cc(Br)cc(Cl)c1O)N1CCO[C@@H](C(F)F)CC1 ZINC000634742275 567055777 /nfs/dbraw/zinc/05/57/77/567055777.db2.gz GEHZLXLBMFBUIL-SNVBAGLBSA-N 0 2 384.604 3.304 10 0 GGAELN O=C(Cc1ccc(NS(=O)(=O)c2cccs2)cc1)N[C@@H]1C[C@H]1C1CC1 ZINC000565518526 567074278 /nfs/dbraw/zinc/07/42/78/567074278.db2.gz FZBXFTKFFKRETH-JKSUJKDBSA-N 0 2 376.503 3.006 10 0 GGAELN CS(=O)(=O)c1ccccc1S(=O)(=O)Nc1ccc(-c2nccs2)cc1 ZINC000635356131 567093869 /nfs/dbraw/zinc/09/38/69/567093869.db2.gz PIJLPOQPAQUFLL-UHFFFAOYSA-N 0 2 394.499 3.014 10 0 GGAELN O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)C1(C(F)(F)F)CC1 ZINC000586797471 567096001 /nfs/dbraw/zinc/09/60/01/567096001.db2.gz OSYJLRSFMHDERW-UHFFFAOYSA-N 0 2 391.396 3.225 10 0 GGAELN O=S(=O)(Nc1ncc(C(F)(F)F)s1)c1cncc(Br)c1 ZINC000473757656 567101000 /nfs/dbraw/zinc/10/10/00/567101000.db2.gz VCCWSTGZOLXBQW-UHFFFAOYSA-N 0 2 388.190 3.120 10 0 GGAELN O=S(=O)(Nc1ncc(C(F)(F)F)s1)c1cnccc1C(F)(F)F ZINC000473756285 567101230 /nfs/dbraw/zinc/10/12/30/567101230.db2.gz LKBJWGNCUCGKEX-UHFFFAOYSA-N 0 2 377.291 3.377 10 0 GGAELN Cc1ccsc1-c1nc(=NC(=O)N[C@H](CCO)C2CCCCC2)s[nH]1 ZINC000473834879 567106748 /nfs/dbraw/zinc/10/67/48/567106748.db2.gz HNDBDMRVHJMQOY-CYBMUJFWSA-N 0 2 380.539 3.450 10 0 GGAELN Cc1ccsc1-c1nc(=NC(=O)N(C)CCC(=O)OC(C)(C)C)s[nH]1 ZINC000473837456 567107108 /nfs/dbraw/zinc/10/71/08/567107108.db2.gz SRRBGGUKIVIERT-UHFFFAOYSA-N 0 2 382.511 3.192 10 0 GGAELN CC[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000658061469 567118445 /nfs/dbraw/zinc/11/84/45/567118445.db2.gz OKKBJUBVTZDMEM-GDBMZVCRSA-N 0 2 387.977 3.162 10 0 GGAELN CC[C@H]([NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000658061475 567119362 /nfs/dbraw/zinc/11/93/62/567119362.db2.gz OKKBJUBVTZDMEM-ZBFHGGJFSA-N 0 2 387.977 3.162 10 0 GGAELN CO[C@H](C)c1cccc(NS(=O)(=O)c2ccc([C@@H](C)NC(C)=O)s2)c1 ZINC000588833055 567139819 /nfs/dbraw/zinc/13/98/19/567139819.db2.gz FPMLPAIITHUNGI-VXGBXAGGSA-N 0 2 382.507 3.453 10 0 GGAELN COc1cc(F)c(S(=O)(=O)Nc2cc(-c3ccsc3)nn2C)c(F)c1 ZINC000683743987 567150789 /nfs/dbraw/zinc/15/07/89/567150789.db2.gz FSMWJNROHFKTAL-UHFFFAOYSA-N 0 2 385.417 3.236 10 0 GGAELN CC(C)S(=O)(=O)c1cccc(C(=O)N=c2nc(-c3ccsc3)[nH]s2)c1 ZINC000546725388 567151334 /nfs/dbraw/zinc/15/13/34/567151334.db2.gz USGLPOQJZWYWBV-UHFFFAOYSA-N 0 2 393.515 3.123 10 0 GGAELN Cc1ccsc1-c1nsc(NS(=O)(=O)c2ccc3c(c2)CCCO3)n1 ZINC000546726116 567151464 /nfs/dbraw/zinc/15/14/64/567151464.db2.gz SKRIOMXAKXTLTP-UHFFFAOYSA-N 0 2 393.515 3.123 10 0 GGAELN Cc1ccsc1-c1nc(=NC(=O)N[C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)s[nH]1 ZINC000546742856 567152627 /nfs/dbraw/zinc/15/26/27/567152627.db2.gz FNWZHIVSGCLRHT-RTXFEEFZSA-N 0 2 378.523 3.322 10 0 GGAELN CO[C@@H](CS(=O)(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCCO1)C1CC1 ZINC000566561594 567167965 /nfs/dbraw/zinc/16/79/65/567167965.db2.gz KDFDROXEFXFERB-YOEHRIQHSA-N 0 2 389.901 3.065 10 0 GGAELN CCc1ccc(S(=O)(=O)Nc2nc3cc4c(cc3s2)OCCO4)s1 ZINC000589267109 567172185 /nfs/dbraw/zinc/17/21/85/567172185.db2.gz WJYHPHHFYUVPOL-UHFFFAOYSA-N 0 2 382.488 3.492 10 0 GGAELN COC(=O)c1ccc(S(=O)(=O)Nc2cc(F)c(F)cc2OC)cc1Cl ZINC000589558054 567183892 /nfs/dbraw/zinc/18/38/92/567183892.db2.gz UMACKQHVVBLXFO-UHFFFAOYSA-N 0 2 391.779 3.214 10 0 GGAELN COC(=O)c1c[nH]ccc1=NS(=O)(=O)c1c(C)c(Cl)cc(C)c1Cl ZINC000589592545 567184696 /nfs/dbraw/zinc/18/46/96/567184696.db2.gz CNVOPSFGLCYQIT-UHFFFAOYSA-N 0 2 389.260 3.015 10 0 GGAELN COC(=O)c1cnccc1NS(=O)(=O)c1c(C)c(Cl)cc(C)c1Cl ZINC000589592545 567184702 /nfs/dbraw/zinc/18/47/02/567184702.db2.gz CNVOPSFGLCYQIT-UHFFFAOYSA-N 0 2 389.260 3.015 10 0 GGAELN COC(=O)c1cc(NS(=O)(=O)c2cnccc2C(F)(F)F)ccc1Cl ZINC000615446146 567185523 /nfs/dbraw/zinc/18/55/23/567185523.db2.gz QMMYJDVFWOBBSO-UHFFFAOYSA-N 0 2 394.758 3.341 10 0 GGAELN CCCc1cc(NS(=O)(=O)c2cc(Br)c(F)cc2OC)[nH]n1 ZINC000566866094 567198459 /nfs/dbraw/zinc/19/84/59/567198459.db2.gz HTXRMTYHHMACOC-UHFFFAOYSA-N 0 2 392.250 3.073 10 0 GGAELN CC(C)(NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1O)C(F)F ZINC000684341942 567202044 /nfs/dbraw/zinc/20/20/44/567202044.db2.gz OWRPTEPMAUBDFQ-UHFFFAOYSA-N 0 2 390.433 3.028 10 0 GGAELN COc1cc(C)c(S(=O)(=O)Nc2c[nH]nc2-c2ccccn2)cc1Cl ZINC000432963015 567208943 /nfs/dbraw/zinc/20/89/43/567208943.db2.gz UBTWKSBNNDZVNH-UHFFFAOYSA-N 0 2 378.841 3.243 10 0 GGAELN CCn1nccc1S(=O)(=O)Nc1nc(C)c(Cc2ccccc2F)s1 ZINC000547434523 567209003 /nfs/dbraw/zinc/20/90/03/567209003.db2.gz QWHHMFYXZKJUJY-UHFFFAOYSA-N 0 2 380.470 3.199 10 0 GGAELN COc1cc(CNC(=O)N=c2nc(-c3sccc3C)[nH]s2)ccc1O ZINC000547451419 567211285 /nfs/dbraw/zinc/21/12/85/567211285.db2.gz RMIBWFMVLQYGCV-UHFFFAOYSA-N 0 2 376.463 3.033 10 0 GGAELN O=S(=O)(Nc1cc([C@@H]2CCCO2)[nH]n1)c1ccc(CC(F)(F)F)cc1 ZINC000684608913 567220920 /nfs/dbraw/zinc/22/09/20/567220920.db2.gz SWKXUOXLWYFIBN-ZDUSSCGKSA-N 0 2 375.372 3.167 10 0 GGAELN COC(=O)c1cccc(Cc2cnc(NS(=O)(=O)CCCCF)s2)c1 ZINC000567272536 567231203 /nfs/dbraw/zinc/23/12/03/567231203.db2.gz MZTPNTVLORADIT-UHFFFAOYSA-N 0 2 386.470 3.012 10 0 GGAELN COC(=O)c1ccsc1NC(=O)C1=NN(c2ccc(Cl)cc2)CC1=O ZINC000590548660 567232646 /nfs/dbraw/zinc/23/26/46/567232646.db2.gz ASESULGYWGGBDZ-UHFFFAOYSA-N 0 2 377.809 3.332 10 0 GGAELN COC(=O)c1csc(S(=O)(=O)Nc2cnn(CC(C)C)c2C(C)C)c1 ZINC000499261290 567234171 /nfs/dbraw/zinc/23/41/71/567234171.db2.gz CJDFLIPKNCIJTR-UHFFFAOYSA-N 0 2 385.511 3.311 10 0 GGAELN COC(=O)c1sccc1S(=O)(=O)Nc1cnn(CC(C)C)c1C(C)C ZINC000499262310 567234277 /nfs/dbraw/zinc/23/42/77/567234277.db2.gz BGGXDRADEQMNKI-UHFFFAOYSA-N 0 2 385.511 3.311 10 0 GGAELN C[C@@H](NC(=O)N=c1ncn(C(C)(C)C)[nH]1)c1ccc(F)c(Br)c1 ZINC000455126628 567237031 /nfs/dbraw/zinc/23/70/31/567237031.db2.gz DSMAZRIMYDFLTF-SECBINFHSA-N 0 2 384.253 3.239 10 0 GGAELN O=C(N=c1nc(-c2cccc(Cl)c2)[nH]s1)NCC1(CF)CCOCC1 ZINC000455158680 567239910 /nfs/dbraw/zinc/23/99/10/567239910.db2.gz OTKKTQIAZGDGDE-UHFFFAOYSA-N 0 2 384.864 3.168 10 0 GGAELN Cc1nc(NS(=O)(=O)c2cc(Br)cc3cccnc32)oc1C ZINC000567390764 567240995 /nfs/dbraw/zinc/24/09/95/567240995.db2.gz WVBGOARUDBJVPL-UHFFFAOYSA-N 0 2 382.239 3.403 10 0 GGAELN CC(=O)Nc1cc(F)c(S(=O)(=O)NC(C)(C2CC2)C2CC2)c(F)c1Cl ZINC000660044556 567251921 /nfs/dbraw/zinc/25/19/21/567251921.db2.gz OIZGGVXXOZCEQE-UHFFFAOYSA-N 0 2 392.855 3.434 10 0 GGAELN O=S(=O)(Nc1cc(Cl)ccc1N1CCCCC1)c1cnc2n1CCC2 ZINC000475540980 567256302 /nfs/dbraw/zinc/25/63/02/567256302.db2.gz NDKOQXFEEWMPIS-UHFFFAOYSA-N 0 2 380.901 3.274 10 0 GGAELN O=C(N[C@H]1CCO[C@@H](c2ccncc2)C1)c1cc(Br)c(F)cc1O ZINC000567563484 567257076 /nfs/dbraw/zinc/25/70/76/567257076.db2.gz IWJOBRGMDLWXNT-MEDUHNTESA-N 0 2 395.228 3.339 10 0 GGAELN CC(C)(C)[N@@H+]1CCc2nc([N-]S(=O)(=O)Cc3ccc(F)cc3)sc2C1 ZINC000567661877 567265780 /nfs/dbraw/zinc/26/57/80/567265780.db2.gz KKSSVWHOQDNGOM-UHFFFAOYSA-N 0 2 383.514 3.381 10 0 GGAELN CC(C)(C)[N@H+]1CCc2nc([N-]S(=O)(=O)Cc3ccc(F)cc3)sc2C1 ZINC000567661877 567265785 /nfs/dbraw/zinc/26/57/85/567265785.db2.gz KKSSVWHOQDNGOM-UHFFFAOYSA-N 0 2 383.514 3.381 10 0 GGAELN CCC[C@@H](CNC(=O)N=c1nc(-c2sccc2C)[nH]s1)C(=O)OCC ZINC000433818895 567274491 /nfs/dbraw/zinc/27/44/91/567274491.db2.gz HJWYGMQOIKLVSZ-NSHDSACASA-N 0 2 382.511 3.098 10 0 GGAELN CC(C)(C)n1cnc(=NC(=O)N[C@@H]2C[C@H]2c2ccc(Br)c(F)c2)[nH]1 ZINC000548090141 567279600 /nfs/dbraw/zinc/27/96/00/567279600.db2.gz ABBDSGYGSONCHU-GXFFZTMASA-N 0 2 396.264 3.034 10 0 GGAELN COc1cnccc1[C@H](C)NC(=O)N=c1nc(-c2sccc2C)[nH]s1 ZINC000526096982 567291416 /nfs/dbraw/zinc/29/14/16/567291416.db2.gz PJOJWTFAZMAYES-JTQLQIEISA-N 0 2 375.479 3.283 10 0 GGAELN COC(=O)c1ccc(S(=O)(=O)Nc2ccc(C(C)=O)c(Cl)c2)c(F)c1 ZINC000526997601 567304813 /nfs/dbraw/zinc/30/48/13/567304813.db2.gz FKQUHEUVYZFUSN-UHFFFAOYSA-N 0 2 385.800 3.269 10 0 GGAELN Cc1cc(S(=O)(=O)Nc2nc3cc(Cl)ccn3n2)c(Cl)cc1F ZINC000685914469 567310188 /nfs/dbraw/zinc/31/01/88/567310188.db2.gz MNMXUNHZLJOKTK-UHFFFAOYSA-N 0 2 375.212 3.284 10 0 GGAELN C[NH+](C)c1ccc(NS(=O)(=O)Cc2cc(Cl)ccc2F)c(C(=O)[O-])c1 ZINC000548528228 567322720 /nfs/dbraw/zinc/32/27/20/567322720.db2.gz GDDVFTNKHKILCU-UHFFFAOYSA-N 0 2 386.832 3.185 10 0 GGAELN COc1cncc(S(=O)(=O)Nc2nc3c(ccc4c3CCCC4)s2)c1 ZINC000500473555 567323666 /nfs/dbraw/zinc/32/36/66/567323666.db2.gz DFVINRYUTVERJL-UHFFFAOYSA-N 0 2 375.475 3.380 10 0 GGAELN CCOC(=O)c1c(C)c(C)sc1NS(=O)(=O)CCCC1CCOCC1 ZINC000592382403 567335202 /nfs/dbraw/zinc/33/52/02/567335202.db2.gz RLJGONONZLFMGN-UHFFFAOYSA-N 0 2 389.539 3.490 10 0 GGAELN Cc1ccnc2c1cccc2S(=O)(=O)Nc1ccc(C(N)=O)c(Cl)c1 ZINC000548611444 567337176 /nfs/dbraw/zinc/33/71/76/567337176.db2.gz JEHJUNDFMSQZSS-UHFFFAOYSA-N 0 2 375.837 3.096 10 0 GGAELN O=C(c1cc(Br)c(F)cc1O)N1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000456091557 567338707 /nfs/dbraw/zinc/33/87/07/567338707.db2.gz FQDXUEGXKAKIFY-VQISRLSMSA-N 0 2 386.261 3.450 10 0 GGAELN O=C1C[C@@H](c2cccc(NS(=O)(=O)c3c(Cl)cccc3Cl)c2)CN1 ZINC000435136742 567343039 /nfs/dbraw/zinc/34/30/39/567343039.db2.gz GUAFSMSJUIVEDP-LLVKDONJSA-N 0 2 385.272 3.398 10 0 GGAELN O=C1C[C@H](c2cccc(NS(=O)(=O)c3c(Cl)cccc3Cl)c2)CN1 ZINC000435136743 567343062 /nfs/dbraw/zinc/34/30/62/567343062.db2.gz GUAFSMSJUIVEDP-NSHDSACASA-N 0 2 385.272 3.398 10 0 GGAELN O=C1C[C@H](c2cccc(NS(=O)(=O)c3cc(Cl)sc3Cl)c2)CN1 ZINC000435137611 567343554 /nfs/dbraw/zinc/34/35/54/567343554.db2.gz MTEBDEHUHDDZDL-VIFPVBQESA-N 0 2 391.301 3.459 10 0 GGAELN O=C(NCCC1CCCC1)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000476729629 567347166 /nfs/dbraw/zinc/34/71/66/567347166.db2.gz UDPWWZNSDLLZQR-UHFFFAOYSA-N 0 2 379.507 3.254 10 0 GGAELN CCn1cnc(S(=O)(=O)Nc2nc(C)c(Cc3ccc(C)cc3)s2)c1 ZINC000476912574 567357828 /nfs/dbraw/zinc/35/78/28/567357828.db2.gz HOLAVNMUATYPMA-UHFFFAOYSA-N 0 2 376.507 3.368 10 0 GGAELN CCn1cnc(S(=O)(=O)Nc2nc(C)c(Cc3cccc(F)c3)s2)c1 ZINC000476910793 567357845 /nfs/dbraw/zinc/35/78/45/567357845.db2.gz CNYPPGGMSCGBKV-UHFFFAOYSA-N 0 2 380.470 3.199 10 0 GGAELN CCn1cnc(S(=O)(=O)Nc2nc(C)c(Cc3ccc(F)cc3)s2)c1 ZINC000476916357 567357908 /nfs/dbraw/zinc/35/79/08/567357908.db2.gz REKUJXZHBVJGQS-UHFFFAOYSA-N 0 2 380.470 3.199 10 0 GGAELN CCn1cnc(S(=O)(=O)Nc2nc3ccc(OC(F)(F)F)cc3s2)c1 ZINC000476934188 567358623 /nfs/dbraw/zinc/35/86/23/567358623.db2.gz TWMYNWCKNAKZTH-UHFFFAOYSA-N 0 2 392.384 3.212 10 0 GGAELN CC(C)c1nc(NS(=O)(=O)c2c(Cl)cccc2Br)no1 ZINC000548990228 567365796 /nfs/dbraw/zinc/36/57/96/567365796.db2.gz CWCKNNXOXNFLFY-UHFFFAOYSA-N 0 2 380.651 3.410 10 0 GGAELN O=C(Nc1cnc(CC2CC2)nc1)C(=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000569126999 567380786 /nfs/dbraw/zinc/38/07/86/567380786.db2.gz UUHSMXNXLDYWQY-UHFFFAOYSA-N 0 2 381.219 3.019 10 0 GGAELN COC(=O)c1cncc(NS(=O)(=O)c2c(Cl)cc(F)cc2Cl)c1 ZINC000435891069 567393982 /nfs/dbraw/zinc/39/39/82/567393982.db2.gz BYDDVVZBHXKMIJ-UHFFFAOYSA-N 0 2 379.196 3.115 10 0 GGAELN Brc1cccc(OCCN=c2[nH]nc(C3CCOCC3)s2)c1 ZINC000549508718 567394359 /nfs/dbraw/zinc/39/43/59/567394359.db2.gz JWGSVHURBVAUNJ-UHFFFAOYSA-N 0 2 384.299 3.107 10 0 GGAELN COC[C@](C)(NS(=O)(=O)c1c(Cl)cc(F)cc1Cl)C(F)(F)F ZINC000435902456 567395189 /nfs/dbraw/zinc/39/51/89/567395189.db2.gz MMKTWZUSWYZNAH-JTQLQIEISA-N 0 2 384.178 3.378 10 0 GGAELN CC(C)Oc1cc(NC(=O)c2cccc(Br)c2O)ccc1C(N)=O ZINC000569432871 567403703 /nfs/dbraw/zinc/40/37/03/567403703.db2.gz LSEOQOJWDGFKJU-UHFFFAOYSA-N 0 2 393.237 3.293 10 0 GGAELN CO[C@H](CS(=O)(=O)Nc1cc(-c2cc3ccccc3s2)[nH]n1)C1CC1 ZINC000569693178 567424212 /nfs/dbraw/zinc/42/42/12/567424212.db2.gz ASNIHMVVUQJWQK-CQSZACIVSA-N 0 2 377.491 3.458 10 0 GGAELN COC(=O)CCSc1ncccc1NC(=O)c1cc(F)c(O)c(Cl)c1 ZINC000436709718 567443831 /nfs/dbraw/zinc/44/38/31/567443831.db2.gz ZDIQFXNNWLTWBI-UHFFFAOYSA-N 0 2 384.816 3.487 10 0 GGAELN COC(=O)c1ccc(C)c(NS(=O)(=O)c2cc(C)c(F)cc2Cl)c1O ZINC000436772988 567451542 /nfs/dbraw/zinc/45/15/42/567451542.db2.gz PTMTZCDUUGUCEQ-UHFFFAOYSA-N 0 2 387.816 3.389 10 0 GGAELN O=C(c1cc(Br)cc(Cl)c1O)N1CCc2cc[nH]c(=O)c2C1 ZINC000436820018 567454821 /nfs/dbraw/zinc/45/48/21/567454821.db2.gz FSBHEKCYYUSJBB-UHFFFAOYSA-N 0 2 383.629 3.107 10 0 GGAELN O=C(N[C@H](CO)c1ccc(Br)cc1)c1cc(F)c(O)c(Cl)c1 ZINC000436860267 567460993 /nfs/dbraw/zinc/46/09/93/567460993.db2.gz NKTSLFCISCGNNF-CYBMUJFWSA-N 0 2 388.620 3.411 10 0 GGAELN O=C(Nc1nc(-c2ccc(O)c(Cl)c2)n[nH]1)c1coc(Br)c1 ZINC000436916048 567466833 /nfs/dbraw/zinc/46/68/33/567466833.db2.gz UGGHMQPBEJEXQA-UHFFFAOYSA-N 0 2 383.589 3.439 10 0 GGAELN O=C(N[C@@H](CO)c1ccsc1)c1cc(Cl)cc(Br)c1O ZINC000436915002 567466939 /nfs/dbraw/zinc/46/69/39/567466939.db2.gz MKDFZFBPEFUOAE-NSHDSACASA-N 0 2 376.659 3.333 10 0 GGAELN Cc1cc(Br)cc(S(=O)(=O)Nc2cc([C@H]3CCCO3)[nH]n2)c1 ZINC000570259635 567470693 /nfs/dbraw/zinc/47/06/93/567470693.db2.gz KLXORWRBVNWHNM-CYBMUJFWSA-N 0 2 386.271 3.133 10 0 GGAELN C[C@H](NC(=O)N=c1ncn(C(C)(C)C)[nH]1)c1ccc(Br)cc1F ZINC000436996433 567473408 /nfs/dbraw/zinc/47/34/08/567473408.db2.gz KVIBROMQJSSRTH-VIFPVBQESA-N 0 2 384.253 3.239 10 0 GGAELN CS(=O)(=O)Nc1ccc(NC(=O)c2cc(F)c(O)c(Cl)c2)cc1Cl ZINC000437004768 567473625 /nfs/dbraw/zinc/47/36/25/567473625.db2.gz NEAGKPDMDBCSIO-UHFFFAOYSA-N 0 2 393.223 3.462 10 0 GGAELN O=S(=O)(Nc1cnc(CC2CC2)nc1)c1ccc(F)cc1Br ZINC000551037796 567475194 /nfs/dbraw/zinc/47/51/94/567475194.db2.gz UIZQCYVDWBNHFI-UHFFFAOYSA-N 0 2 386.246 3.132 10 0 GGAELN C[C@H](CC(F)(F)F)C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000457620999 567478557 /nfs/dbraw/zinc/47/85/57/567478557.db2.gz SDCCKJHPNRBGKJ-SECBINFHSA-N 0 2 393.412 3.471 10 0 GGAELN CCCCc1nnc(NS(=O)(=O)c2cc3c(cc2Cl)OCCO3)s1 ZINC000437184592 567481413 /nfs/dbraw/zinc/48/14/13/567481413.db2.gz NZMRJZMOCLMRJE-UHFFFAOYSA-N 0 2 389.886 3.106 10 0 GGAELN CCC(CC)c1nnc(NS(=O)(=O)c2ccc(C(=O)OC)cc2C)s1 ZINC000437202112 567482557 /nfs/dbraw/zinc/48/25/57/567482557.db2.gz VDCHHDUCZXVAMJ-UHFFFAOYSA-N 0 2 383.495 3.338 10 0 GGAELN Cn1ncc2c1CC(C)(C)CN(C(=O)c1cc(Br)c(F)cc1O)C2 ZINC000663210990 567482994 /nfs/dbraw/zinc/48/29/94/567482994.db2.gz RRFXTHFIVFUZFY-UHFFFAOYSA-N 0 2 396.260 3.252 10 0 GGAELN CCOC(=O)c1cccc(S(=O)(=O)Nc2cc(Cl)c(Cl)cn2)c1 ZINC000437336144 567493003 /nfs/dbraw/zinc/49/30/03/567493003.db2.gz JMRUMZMCBFIJJC-UHFFFAOYSA-N 0 2 375.233 3.366 10 0 GGAELN CCOc1ccc(NS(=O)(=O)c2cc(F)ccc2OC(F)F)nc1C ZINC000663302013 567493616 /nfs/dbraw/zinc/49/36/16/567493616.db2.gz XMDHSZLYCQZKQW-UHFFFAOYSA-N 0 2 376.356 3.330 10 0 GGAELN COCc1csc(NS(=O)(=O)c2cnn(-c3ccc(Cl)cc3)c2C)n1 ZINC000437333810 567493866 /nfs/dbraw/zinc/49/38/66/567493866.db2.gz SPMDAYCOTDRVES-UHFFFAOYSA-N 0 2 398.897 3.238 10 0 GGAELN COC(=O)c1ccc(S(=O)(=O)Nc2cc(Cl)c(Cl)cn2)c(C)c1 ZINC000437346887 567493893 /nfs/dbraw/zinc/49/38/93/567493893.db2.gz YWVFBQQBRYEPKC-UHFFFAOYSA-N 0 2 375.233 3.284 10 0 GGAELN Cc1ccc(S(=O)(=O)Nc2cc([C@@H]3CCCO3)[nH]n2)cc1Br ZINC000570622785 567499227 /nfs/dbraw/zinc/49/92/27/567499227.db2.gz BDOOLXYAJOTNKU-ZDUSSCGKSA-N 0 2 386.271 3.133 10 0 GGAELN CCC[C@@H](C(=O)OCC)n1ccc(NS(=O)(=O)c2cc(C)sc2C)n1 ZINC000594699814 567500201 /nfs/dbraw/zinc/50/02/01/567500201.db2.gz CRVRSXLHBWYYPU-ZDUSSCGKSA-N 0 2 385.511 3.267 10 0 GGAELN O=S(=O)(Nc1ccc(Cl)cc1OCC(F)(F)F)c1cnc2n1CCC2 ZINC000437666928 567503701 /nfs/dbraw/zinc/50/37/01/567503701.db2.gz NIBZVVLNRYNXJE-UHFFFAOYSA-N 0 2 395.790 3.225 10 0 GGAELN COC(=O)c1cccc(S(=O)(=O)Nc2nnc(CCC(C)C)s2)c1C ZINC000594726007 567504893 /nfs/dbraw/zinc/50/48/93/567504893.db2.gz KJDAPYKNQGWEEG-UHFFFAOYSA-N 0 2 383.495 3.023 10 0 GGAELN O=S(=O)(Nc1cc(Cl)ccc1OCC(F)(F)F)c1cnc2n1CCC2 ZINC000437681055 567505303 /nfs/dbraw/zinc/50/53/03/567505303.db2.gz OBECOBQRSZEGFX-UHFFFAOYSA-N 0 2 395.790 3.225 10 0 GGAELN O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000643337270 567506458 /nfs/dbraw/zinc/50/64/58/567506458.db2.gz VOGLRAQCONWSDV-JHJVBQTASA-N 0 2 377.491 3.319 10 0 GGAELN COC(=O)c1ccc(S(=O)(=O)Nc2cc3cn[nH]c3cc2C)cc1Cl ZINC000479133457 567506530 /nfs/dbraw/zinc/50/65/30/567506530.db2.gz XUSJWZYAJDDLEJ-UHFFFAOYSA-N 0 2 379.825 3.112 10 0 GGAELN Cc1ccc(NS(=O)(=O)c2c(Cl)ccc(F)c2F)cc1S(C)(=O)=O ZINC000551474396 567510500 /nfs/dbraw/zinc/51/05/00/567510500.db2.gz ZLYYLGNYQNYIOR-UHFFFAOYSA-N 0 2 395.836 3.131 10 0 GGAELN COCn1nc(C)c(S(=O)(=O)Nc2cc(C)cc(C(F)(F)F)c2)c1C ZINC000643625546 567513140 /nfs/dbraw/zinc/51/31/40/567513140.db2.gz ZUQNOWHWVKTIQQ-UHFFFAOYSA-N 0 2 377.388 3.232 10 0 GGAELN O=C(c1cccc(Br)c1[O-])N1CC[NH+](Cc2ccccc2)CC1 ZINC000570897055 567521191 /nfs/dbraw/zinc/52/11/91/567521191.db2.gz BPZIZAATSPHGHH-UHFFFAOYSA-N 0 2 375.266 3.113 10 0 GGAELN O=C(c1cccc(Br)c1O)N1CCN(Cc2ccccc2)CC1 ZINC000570897055 567521195 /nfs/dbraw/zinc/52/11/95/567521195.db2.gz BPZIZAATSPHGHH-UHFFFAOYSA-N 0 2 375.266 3.113 10 0 GGAELN COc1cc(Cl)c(S(=O)(=O)Nc2cc(C3CC3)nc(C)n2)cc1OC ZINC000570896747 567521441 /nfs/dbraw/zinc/52/14/41/567521441.db2.gz SBUWJPQQUMHWRN-UHFFFAOYSA-N 0 2 383.857 3.134 10 0 GGAELN CC1(c2nc(=NC(=O)CCOc3ccccc3Br)s[nH]2)CC1 ZINC000529702263 567542397 /nfs/dbraw/zinc/54/23/97/567542397.db2.gz ABPXTRJHXYXURU-UHFFFAOYSA-N 0 2 382.283 3.182 10 0 GGAELN O=C(c1cc2c(ccc(Cl)c2Cl)[nH]1)N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000551931018 567543031 /nfs/dbraw/zinc/54/30/31/567543031.db2.gz QTSRKIGERVIEAU-UHFFFAOYSA-N 0 2 380.235 3.318 10 0 GGAELN CC1(c2nc(=NC(=O)CCCc3nc(-c4cccs4)no3)s[nH]2)CC1 ZINC000529704721 567543689 /nfs/dbraw/zinc/54/36/89/567543689.db2.gz RPOPHTINFWQCRJ-UHFFFAOYSA-N 0 2 375.479 3.084 10 0 GGAELN C[C@H](Oc1ccccc1Br)C(=O)N=c1nc(C2(C)CC2)[nH]s1 ZINC000529704144 567543817 /nfs/dbraw/zinc/54/38/17/567543817.db2.gz IWNRYNNUQVSCAD-VIFPVBQESA-N 0 2 382.283 3.180 10 0 GGAELN O=C1C[C@H](c2cccc(NS(=O)(=O)c3ccc(C(F)(F)F)s3)c2)CN1 ZINC000571372681 567557354 /nfs/dbraw/zinc/55/73/54/567557354.db2.gz NGKOCCQSRSOGBL-JTQLQIEISA-N 0 2 390.408 3.171 10 0 GGAELN O=C1C[C@@H](c2cccc(NS(=O)(=O)c3ccc(C(F)(F)F)s3)c2)CN1 ZINC000571372682 567557951 /nfs/dbraw/zinc/55/79/51/567557951.db2.gz NGKOCCQSRSOGBL-SNVBAGLBSA-N 0 2 390.408 3.171 10 0 GGAELN COc1cc(S(=O)(=O)Nc2noc(-c3ccccc3Cl)n2)ccc1F ZINC000438981522 567558764 /nfs/dbraw/zinc/55/87/64/567558764.db2.gz CAQCAJSDVGJUPK-UHFFFAOYSA-N 0 2 383.788 3.339 10 0 GGAELN COc1cc(Br)c(CN=c2ccc(OC(C)C)n[nH]2)cc1OC ZINC000571459102 567565176 /nfs/dbraw/zinc/56/51/76/567565176.db2.gz YTDYAVZSNXUCMP-UHFFFAOYSA-N 0 2 382.258 3.078 10 0 GGAELN O=C(NCCc1ccccc1Br)C1=NN(c2ccccc2)CC1=O ZINC000439130230 567567624 /nfs/dbraw/zinc/56/76/24/567567624.db2.gz BIXZEKAJOSIHRV-UHFFFAOYSA-N 0 2 386.249 3.313 10 0 GGAELN CC(=O)N1CCc2cc(S(=O)(=O)Nc3scnc3C3CC3)c(Cl)cc21 ZINC000530137902 567573621 /nfs/dbraw/zinc/57/36/21/567573621.db2.gz RSLZBZODMXPVIV-UHFFFAOYSA-N 0 2 397.909 3.384 10 0 GGAELN CCc1csc(NS(=O)(=O)c2cc3c(cc2Cl)N(C(C)=O)CC3)n1 ZINC000530155107 567576316 /nfs/dbraw/zinc/57/63/16/567576316.db2.gz WNQKHVKBQGIXND-UHFFFAOYSA-N 0 2 385.898 3.069 10 0 GGAELN CCn1nc(C)cc1NS(=O)(=O)c1cccc(Br)c1Cl ZINC000530157322 567577671 /nfs/dbraw/zinc/57/76/71/567577671.db2.gz CYRUBIVUWIBPDP-UHFFFAOYSA-N 0 2 378.679 3.428 10 0 GGAELN CCCOc1cncc(NS(=O)(=O)c2cc(OC)c(OC)cc2Cl)c1 ZINC000530156784 567577864 /nfs/dbraw/zinc/57/78/64/567577864.db2.gz FEQRQVRKVZTGIM-UHFFFAOYSA-N 0 2 386.857 3.342 10 0 GGAELN CCn1nc(C)cc1NS(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000530158094 567578327 /nfs/dbraw/zinc/57/83/27/567578327.db2.gz LDEMWNAVEQDZBW-UHFFFAOYSA-N 0 2 378.679 3.428 10 0 GGAELN O=C(N[C@@H]1CC12CC2)c1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000644792830 567579011 /nfs/dbraw/zinc/57/90/11/567579011.db2.gz PLBSTXZREBMYEB-GFCCVEGCSA-N 0 2 382.894 3.485 10 0 GGAELN CCOC(=O)C[C@@](C)(NC(=O)N=c1nc(-c2ccsc2)[nH]s1)C(C)C ZINC000480052236 567579115 /nfs/dbraw/zinc/57/91/15/567579115.db2.gz WERYZRFPMOHRQC-MRXNPFEDSA-N 0 2 382.511 3.178 10 0 GGAELN C[C@@H]1C[N@H+](Cc2csc(-c3ccc(Br)cc3)n2)C[C@@H](C(=O)[O-])O1 ZINC000530173664 567579470 /nfs/dbraw/zinc/57/94/70/567579470.db2.gz XWLNTOKCARQRCD-YGRLFVJLSA-N 0 2 397.294 3.247 10 0 GGAELN C[C@@H]1C[N@@H+](Cc2csc(-c3ccc(Br)cc3)n2)C[C@@H](C(=O)[O-])O1 ZINC000530173664 567579474 /nfs/dbraw/zinc/57/94/74/567579474.db2.gz XWLNTOKCARQRCD-YGRLFVJLSA-N 0 2 397.294 3.247 10 0 GGAELN COc1ccc(C[N@@H+]2CCc3occc3[C@@H]2C(=O)[O-])c(Br)c1OC ZINC000530166817 567580548 /nfs/dbraw/zinc/58/05/48/567580548.db2.gz QVIGKTGINUTVDB-OAHLLOKOSA-N 0 2 396.237 3.243 10 0 GGAELN COc1ccc(C[N@H+]2CCc3occc3[C@@H]2C(=O)[O-])c(Br)c1OC ZINC000530166817 567580556 /nfs/dbraw/zinc/58/05/56/567580556.db2.gz QVIGKTGINUTVDB-OAHLLOKOSA-N 0 2 396.237 3.243 10 0 GGAELN CO[C@H](CS(=O)(=O)Nc1ccn(-c2ccc(Cl)cc2Cl)n1)C1CC1 ZINC000571682461 567581094 /nfs/dbraw/zinc/58/10/94/567581094.db2.gz XOEZDBANOIYAMD-CQSZACIVSA-N 0 2 390.292 3.346 10 0 GGAELN CCn1cnc(S(=O)(=O)Nc2noc(-c3ccccc3)c2Br)c1 ZINC000571729162 567585303 /nfs/dbraw/zinc/58/53/03/567585303.db2.gz UYMXZTICXBEFBQ-UHFFFAOYSA-N 0 2 397.254 3.121 10 0 GGAELN COc1ccc(S(=O)(=O)Nc2ccc(OC(F)(F)F)cc2O)c(F)c1 ZINC000480200120 567587630 /nfs/dbraw/zinc/58/76/30/567587630.db2.gz MPIFKWZHOXXXSH-UHFFFAOYSA-N 0 2 381.303 3.239 10 0 GGAELN Cc1cc(Br)cc2c(=O)c(-c3noc([C@H]4[C@@H]5COC[C@@H]54)n3)c[nH]c12 ZINC000664808282 567591240 /nfs/dbraw/zinc/59/12/40/567591240.db2.gz BJNBYMDIVKOLPL-ITGUQSILSA-N 0 2 388.221 3.009 10 0 GGAELN COCCOc1ccc(S(=O)(=O)Nc2ncc(C(F)(F)F)s2)cc1C ZINC000530387539 567598332 /nfs/dbraw/zinc/59/83/32/567598332.db2.gz MLIARZXYWGZIHZ-UHFFFAOYSA-N 0 2 396.412 3.296 10 0 GGAELN COC(=O)c1ccc(S(=O)(=O)Nc2ccc(O[C@H]3CC3(F)F)cc2)s1 ZINC000596022247 567598943 /nfs/dbraw/zinc/59/89/43/567598943.db2.gz PYUDIZKZBQKWDH-LBPRGKRZSA-N 0 2 389.401 3.122 10 0 GGAELN CCOc1ccc(NS(=O)(=O)c2cc(Cl)ccc2C(=O)OC)nc1C ZINC000596054618 567605062 /nfs/dbraw/zinc/60/50/62/567605062.db2.gz XELHQZNFBSSVFF-UHFFFAOYSA-N 0 2 384.841 3.030 10 0 GGAELN CO[C@H](C(=O)Nc1nc(-c2ccc(Br)cc2F)n[nH]1)C1CCC1 ZINC000621862664 567616496 /nfs/dbraw/zinc/61/64/96/567616496.db2.gz SVPJFQAGCCWMPA-LBPRGKRZSA-N 0 2 383.221 3.127 10 0 GGAELN CO[C@@H]1CC[C@@H](C(=O)Nc2nc(-c3ccc(Br)cc3F)n[nH]2)C1 ZINC000621862348 567616725 /nfs/dbraw/zinc/61/67/25/567616725.db2.gz GLUZYHASIJYVRY-PSASIEDQSA-N 0 2 383.221 3.127 10 0 GGAELN Cc1cc(NC(=O)c2cc(Br)c(F)cc2O)n(C2CCOCC2)n1 ZINC000572212299 567621193 /nfs/dbraw/zinc/62/11/93/567621193.db2.gz MPTOSADQMZLMNE-UHFFFAOYSA-N 0 2 398.232 3.403 10 0 GGAELN Cc1ccsc1-c1nc(=NC(=O)C[C@@H](n2cccn2)C(F)(F)F)s[nH]1 ZINC000621956900 567626284 /nfs/dbraw/zinc/62/62/84/567626284.db2.gz AZQNFRAYICNXCP-SECBINFHSA-N 0 2 387.412 3.326 10 0 GGAELN Cc1csc(-c2nnc(NS(=O)(=O)c3ccc4c(c3)C[C@H](C)O4)o2)c1 ZINC000622042681 567633462 /nfs/dbraw/zinc/63/34/62/567633462.db2.gz GXGLZUVOBVAEJW-JTQLQIEISA-N 0 2 377.447 3.231 10 0 GGAELN Cc1nn(C)cc1S(=O)(=O)Nc1nc(C)c(Cc2cccc(C)c2)s1 ZINC000572519105 567645021 /nfs/dbraw/zinc/64/50/21/567645021.db2.gz YYDLKIJQMNZHRR-UHFFFAOYSA-N 0 2 376.507 3.193 10 0 GGAELN COC(=O)c1ccc(S(=O)(=O)Nc2ccc(C)c3c[nH]nc32)cc1Cl ZINC000440823521 567645891 /nfs/dbraw/zinc/64/58/91/567645891.db2.gz WOCCDFLZPFTAGV-UHFFFAOYSA-N 0 2 379.825 3.112 10 0 GGAELN COc1ccnc(NS(=O)(=O)c2cccc(Br)c2Cl)c1 ZINC000572657253 567656783 /nfs/dbraw/zinc/65/67/83/567656783.db2.gz DFIJJBVVFMQPNU-UHFFFAOYSA-N 0 2 377.647 3.307 10 0 GGAELN CCN(C(=O)N=c1nc(-c2ccsc2)[nH]s1)[C@H](C)C(=O)OC(C)(C)C ZINC000596837886 567656971 /nfs/dbraw/zinc/65/69/71/567656971.db2.gz UNAPQYSKEJIFGW-SNVBAGLBSA-N 0 2 382.511 3.273 10 0 GGAELN CCOc1cc(F)ccc1NS(=O)(=O)c1ccc(C(=O)OC)c(Cl)c1 ZINC000441329043 567661219 /nfs/dbraw/zinc/66/12/19/567661219.db2.gz DTADZQRAOZSTAM-UHFFFAOYSA-N 0 2 387.816 3.465 10 0 GGAELN CO[C@H]1CC[C@H](C(=O)N=c2ccc(-c3ccc(Br)s3)n[nH]2)C1 ZINC000622858353 567661492 /nfs/dbraw/zinc/66/14/92/567661492.db2.gz KVHZCMGVAPKMGR-UWVGGRQHSA-N 0 2 382.283 3.143 10 0 GGAELN CO[C@@H](C(=O)N=c1ccc(-c2ccc(Br)s2)n[nH]1)C1CCC1 ZINC000622858073 567661545 /nfs/dbraw/zinc/66/15/45/567661545.db2.gz AEQDMEXHIFTHMO-CQSZACIVSA-N 0 2 382.283 3.143 10 0 GGAELN Cc1ccc2cccc(S(=O)(=O)Nc3ccc(C(N)=O)c(Cl)c3)c2n1 ZINC000531486053 567662009 /nfs/dbraw/zinc/66/20/09/567662009.db2.gz FMUDXUPYNIUNPQ-UHFFFAOYSA-N 0 2 375.837 3.096 10 0 GGAELN O=C(N=c1ccc(-c2ccc(Cl)s2)n[nH]1)[C@H]1CCCN1CC(F)(F)F ZINC000622929219 567668874 /nfs/dbraw/zinc/66/88/74/567668874.db2.gz HUSODSHCWOTWKA-SNVBAGLBSA-N 0 2 390.818 3.246 10 0 GGAELN O=C(N=c1ccc(-c2ccc(Cl)s2)n[nH]1)[C@H]1CCN(CC(F)(F)F)C1 ZINC000622929445 567669233 /nfs/dbraw/zinc/66/92/33/567669233.db2.gz QKVANYQGWZUBKH-VIFPVBQESA-N 0 2 390.818 3.103 10 0 GGAELN C[C@H](OC[C@H]1CCCCO1)C(=O)N=c1ccc(-c2ccc(Cl)s2)n[nH]1 ZINC000622929274 567669242 /nfs/dbraw/zinc/66/92/42/567669242.db2.gz JUCZLTKRZKFHAH-NWDGAFQWSA-N 0 2 381.885 3.193 10 0 GGAELN COc1cccc(CNC(=O)N=c2nc(-c3ccsc3)[nH]s2)c1OC ZINC000460109034 567674231 /nfs/dbraw/zinc/67/42/31/567674231.db2.gz CDEWFLCMFLTKNC-UHFFFAOYSA-N 0 2 376.463 3.027 10 0 GGAELN COc1cc(NS(=O)(=O)c2cccc(Br)c2Cl)ccn1 ZINC000460614278 567694435 /nfs/dbraw/zinc/69/44/35/567694435.db2.gz VAIZKSZYEKKSAB-UHFFFAOYSA-N 0 2 377.647 3.307 10 0 GGAELN COCc1cccc(S(=O)(=O)Nc2cnc3c(Br)cccn23)c1 ZINC000460651079 567696791 /nfs/dbraw/zinc/69/67/91/567696791.db2.gz UAEOVBGBEKKYJX-UHFFFAOYSA-N 0 2 396.266 3.044 10 0 GGAELN Cc1ccc(-c2nsc(NS(=O)(=O)c3cccc4ncccc43)n2)s1 ZINC000442599756 567696877 /nfs/dbraw/zinc/69/68/77/567696877.db2.gz NUBKRIQENFHGJW-UHFFFAOYSA-N 0 2 388.499 3.346 10 0 GGAELN Cc1ccc(F)c(S(=O)(=O)[N-]c2c[nH+]c3c(Br)cccn23)c1 ZINC000460650750 567696994 /nfs/dbraw/zinc/69/69/94/567696994.db2.gz SSYAEOIWCMDWTI-UHFFFAOYSA-N 0 2 384.230 3.345 10 0 GGAELN Cc1ccc(F)c(S(=O)(=O)Nc2cnc3c(Br)cccn23)c1 ZINC000460650750 567697003 /nfs/dbraw/zinc/69/70/03/567697003.db2.gz SSYAEOIWCMDWTI-UHFFFAOYSA-N 0 2 384.230 3.345 10 0 GGAELN Cc1ccc(F)cc1S(=O)(=O)Nc1cnc2c(Br)cccn12 ZINC000460648094 567697216 /nfs/dbraw/zinc/69/72/16/567697216.db2.gz KLPCAORBRFYGIT-UHFFFAOYSA-N 0 2 384.230 3.345 10 0 GGAELN CCc1ccccc1S(=O)(=O)Nc1cnc2c(Br)cccn12 ZINC000460649289 567697548 /nfs/dbraw/zinc/69/75/48/567697548.db2.gz NWLLCIISIGFBLY-UHFFFAOYSA-N 0 2 380.267 3.460 10 0 GGAELN COc1ccc(S(=O)(=O)Nc2ncc(Cc3ccc(F)cc3)s2)cn1 ZINC000442613159 567698478 /nfs/dbraw/zinc/69/84/78/567698478.db2.gz BCDNKIWAUMHXLZ-UHFFFAOYSA-N 0 2 379.438 3.077 10 0 GGAELN Cc1ccc(-c2nsc(NS(=O)(=O)c3ccc4ncsc4c3)n2)s1 ZINC000442619277 567698536 /nfs/dbraw/zinc/69/85/36/567698536.db2.gz PYWMJSXPPLXGQF-UHFFFAOYSA-N 0 2 394.528 3.407 10 0 GGAELN COc1cc(C)c(S(=O)(=O)Nc2nc(C(C)(C)C)ns2)cc1C(C)C ZINC000442629203 567700357 /nfs/dbraw/zinc/70/03/57/567700357.db2.gz PNJFQDFXYCDREY-UHFFFAOYSA-N 0 2 383.539 3.499 10 0 GGAELN O=C1COc2c(NS(=O)(=O)c3ccc4ncsc4c3)cc(Cl)cc2N1 ZINC000573355614 567707432 /nfs/dbraw/zinc/70/74/32/567707432.db2.gz ANZUQCODANEXCY-UHFFFAOYSA-N 0 2 395.849 3.081 10 0 GGAELN CCOc1ccc(OC)cc1NS(=O)(=O)c1cnccc1C(F)(F)F ZINC000442814933 567709152 /nfs/dbraw/zinc/70/91/52/567709152.db2.gz IHPDEBATKLMYSV-UHFFFAOYSA-N 0 2 376.356 3.309 10 0 GGAELN CCOc1ccc(NS(=O)(=O)c2cnccc2C(F)(F)F)cc1OC ZINC000442808786 567709426 /nfs/dbraw/zinc/70/94/26/567709426.db2.gz IJSRPCSZLCQXCG-UHFFFAOYSA-N 0 2 376.356 3.309 10 0 GGAELN Cc1cc(Br)c(S(=O)(=O)Nc2cnc(CC3CC3)nc2)s1 ZINC000573392032 567709710 /nfs/dbraw/zinc/70/97/10/567709710.db2.gz SFDTWWVKXLILSH-UHFFFAOYSA-N 0 2 388.312 3.362 10 0 GGAELN O=S(=O)(Nc1ccc(-c2csnn2)cc1)c1cnccc1C(F)(F)F ZINC000442814803 567709769 /nfs/dbraw/zinc/70/97/69/567709769.db2.gz DHLZRPLIKGJQTM-UHFFFAOYSA-N 0 2 386.380 3.420 10 0 GGAELN CC(C)[C@@H](NC(=O)N=c1nc(-c2ccsc2)[nH]s1)C1(CO)CC=CC1 ZINC000646356413 567710620 /nfs/dbraw/zinc/71/06/20/567710620.db2.gz VVWARYICQXSPHK-CYBMUJFWSA-N 0 2 378.523 3.163 10 0 GGAELN CO[C@@H]1CCC[C@@H]1[C@H]1COCC[N@@H+]1Cc1ccc(C(=O)[O-])cc1Br ZINC000573452838 567715000 /nfs/dbraw/zinc/71/50/00/567715000.db2.gz YXJKJFBGHWORSJ-DJIMGWMZSA-N 0 2 398.297 3.163 10 0 GGAELN CO[C@@H]1CCC[C@@H]1[C@H]1COCC[N@H+]1Cc1ccc(C(=O)[O-])cc1Br ZINC000573452838 567715003 /nfs/dbraw/zinc/71/50/03/567715003.db2.gz YXJKJFBGHWORSJ-DJIMGWMZSA-N 0 2 398.297 3.163 10 0 GGAELN CO[C@@H]1CCC[C@H]1[C@H]1COCC[N@@H+]1Cc1ccc(C(=O)[O-])cc1Br ZINC000573452840 567715237 /nfs/dbraw/zinc/71/52/37/567715237.db2.gz YXJKJFBGHWORSJ-USXIJHARSA-N 0 2 398.297 3.163 10 0 GGAELN CO[C@@H]1CCC[C@H]1[C@H]1COCC[N@H+]1Cc1ccc(C(=O)[O-])cc1Br ZINC000573452840 567715239 /nfs/dbraw/zinc/71/52/39/567715239.db2.gz YXJKJFBGHWORSJ-USXIJHARSA-N 0 2 398.297 3.163 10 0 GGAELN Cc1ccn(-c2ccccc2NS(=O)(=O)c2cncc(Br)c2)n1 ZINC000507923981 567715872 /nfs/dbraw/zinc/71/58/72/567715872.db2.gz WHJBIRMVUKLUQC-UHFFFAOYSA-N 0 2 393.266 3.139 10 0 GGAELN COc1ccc(S(=O)(=O)Nc2csc(-c3ccccn3)n2)cc1OC ZINC000508057260 567723654 /nfs/dbraw/zinc/72/36/54/567723654.db2.gz KAIXNVJWJYNFKC-UHFFFAOYSA-N 0 2 377.447 3.023 10 0 GGAELN O=S(=O)(Nc1ncc(-c2ccccn2)s1)c1ccc(C(F)(F)F)nc1 ZINC000508066119 567724028 /nfs/dbraw/zinc/72/40/28/567724028.db2.gz AHUSFKBEXFNUIZ-UHFFFAOYSA-N 0 2 386.380 3.420 10 0 GGAELN COC(=O)c1ncc(NS(=O)(=O)c2cccc3ccccc32)cc1Cl ZINC000508067524 567725400 /nfs/dbraw/zinc/72/54/00/567725400.db2.gz JMIPNYAXYZOWJC-UHFFFAOYSA-N 0 2 376.821 3.476 10 0 GGAELN COC(=O)c1c(C)csc1NS(=O)(=O)c1c(C)n(C)c2ccccc21 ZINC000508085291 567727414 /nfs/dbraw/zinc/72/74/14/567727414.db2.gz OXDVFVUWLVMJAH-UHFFFAOYSA-N 0 2 378.475 3.444 10 0 GGAELN COC(=O)c1ccc(S(=O)(=O)Nc2cc(Cl)ccc2C(F)(F)F)cn1 ZINC000508088478 567728040 /nfs/dbraw/zinc/72/80/40/567728040.db2.gz JURJQACCXIUBDY-UHFFFAOYSA-N 0 2 394.758 3.341 10 0 GGAELN Cc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)[nH]n2)cc1Br ZINC000532765708 567732955 /nfs/dbraw/zinc/73/29/55/567732955.db2.gz UTXRPOAAJINARY-UHFFFAOYSA-N 0 2 384.177 3.300 10 0 GGAELN C[C@@H]1Cc2cc(S(=O)(=O)Nc3cc(C(F)(F)F)[nH]n3)cc(Cl)c2O1 ZINC000532764602 567733520 /nfs/dbraw/zinc/73/35/20/567733520.db2.gz PSLGIQTVHMNHOF-ZCFIWIBFSA-N 0 2 381.763 3.206 10 0 GGAELN O=S(=O)(Nc1nnc(-c2ccco2)s1)c1cnccc1C(F)(F)F ZINC000443127835 567734061 /nfs/dbraw/zinc/73/40/61/567734061.db2.gz CMPIRBORRRBXJC-UHFFFAOYSA-N 0 2 376.341 3.013 10 0 GGAELN Cc1cc2c(cc1S(=O)(=O)Nc1ncc(-c3cccnc3)s1)OCO2 ZINC000508148373 567734503 /nfs/dbraw/zinc/73/45/03/567734503.db2.gz ZZDZUINMOYSXDI-UHFFFAOYSA-N 0 2 375.431 3.043 10 0 GGAELN O=S(=O)(Nc1nnc(-c2ccccc2)s1)c1cnccc1C(F)(F)F ZINC000443136905 567735022 /nfs/dbraw/zinc/73/50/22/567735022.db2.gz RVSPAFUDWAAFSV-UHFFFAOYSA-N 0 2 386.380 3.420 10 0 GGAELN CCS(=O)(=O)c1ccc(S(=O)(=O)Nc2nc(C(C)C)c(C)s2)cc1 ZINC000573816488 567737426 /nfs/dbraw/zinc/73/74/26/567737426.db2.gz FUMWCJUQTRTKLG-UHFFFAOYSA-N 0 2 388.536 3.169 10 0 GGAELN CCc1noc(C)c1NS(=O)(=O)c1cc(Br)c(C)cc1OC ZINC000532848229 567739087 /nfs/dbraw/zinc/73/90/87/567739087.db2.gz XRHXXOBDRPBZAX-UHFFFAOYSA-N 0 2 389.271 3.426 10 0 GGAELN COc1ccc(Br)cc1S(=O)(=O)Nc1cnc(C)nc1C1CC1 ZINC000532896456 567742917 /nfs/dbraw/zinc/74/29/17/567742917.db2.gz ISRUMRCPVZRSEI-UHFFFAOYSA-N 0 2 398.282 3.234 10 0 GGAELN COC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1cccc(Br)c1 ZINC000508320086 567743453 /nfs/dbraw/zinc/74/34/53/567743453.db2.gz AGHHYLJGVQSLTB-UHFFFAOYSA-N 0 2 388.239 3.246 10 0 GGAELN O=S(=O)(Nc1cc(C(F)(F)F)[nH]n1)c1ccc(F)c(Br)c1 ZINC000533090378 567750632 /nfs/dbraw/zinc/75/06/32/567750632.db2.gz IQXHJHWMLUASDX-UHFFFAOYSA-N 0 2 388.140 3.131 10 0 GGAELN CCc1noc(C)c1NS(=O)(=O)c1cnn(-c2ccc(Cl)cc2)c1C ZINC000533167780 567755576 /nfs/dbraw/zinc/75/55/76/567755576.db2.gz AWNOPPGMCQUMEU-UHFFFAOYSA-N 0 2 380.857 3.494 10 0 GGAELN O=C(N=c1nc(-c2cccc(Cl)c2)[nH]s1)NCCCc1nccs1 ZINC000554987538 567761696 /nfs/dbraw/zinc/76/16/96/567761696.db2.gz DQFVDNVLARMHRY-UHFFFAOYSA-N 0 2 379.898 3.491 10 0 GGAELN CSc1c(F)cc(NS(=O)(=O)c2coc(C(=O)N(C)C)c2C)cc1F ZINC000647130164 567762330 /nfs/dbraw/zinc/76/23/30/567762330.db2.gz BBMGKEZPTKDJEM-UHFFFAOYSA-N 0 2 390.433 3.091 10 0 GGAELN CCc1c(NS(=O)(=O)c2cnc(OC)c(Cl)c2)cnn1CCC(C)C ZINC000647131430 567762551 /nfs/dbraw/zinc/76/25/51/567762551.db2.gz ZHCLCGICHNRDPT-UHFFFAOYSA-N 0 2 386.905 3.349 10 0 GGAELN COc1ncc(S(=O)(=O)Nc2cccc3c2OCC[C@H]3OC)cc1Cl ZINC000647131915 567762590 /nfs/dbraw/zinc/76/25/90/567762590.db2.gz SJIVULOXWIYHBT-CQSZACIVSA-N 0 2 384.841 3.014 10 0 GGAELN COCCn1nc(C)c(NS(=O)(=O)c2cc3cccc(C)c3s2)c1C ZINC000647127964 567763186 /nfs/dbraw/zinc/76/31/86/567763186.db2.gz JVTZIMLVEFYYMB-UHFFFAOYSA-N 0 2 379.507 3.470 10 0 GGAELN COc1ncc(S(=O)(=O)Nc2cn(C)nc2C2CCCCC2)cc1Cl ZINC000647133883 567764237 /nfs/dbraw/zinc/76/42/37/567764237.db2.gz LINWMHAODZAFRF-UHFFFAOYSA-N 0 2 384.889 3.326 10 0 GGAELN CCOc1cc(Br)c(F)cc1NS(=O)(=O)c1ccnn1CC ZINC000555130232 567770490 /nfs/dbraw/zinc/77/04/90/567770490.db2.gz ZTTKEWJDDDAMJK-UHFFFAOYSA-N 0 2 392.250 3.004 10 0 GGAELN Fc1ccc(Br)cc1CCN=c1[nH]nc(C2CCOCC2)s1 ZINC000555155676 567771863 /nfs/dbraw/zinc/77/18/63/567771863.db2.gz MRCGSMMXFWCMHZ-UHFFFAOYSA-N 0 2 386.290 3.410 10 0 GGAELN Brc1ccc(OCCN=c2[nH]nc(C3CCOCC3)s2)cc1 ZINC000555157163 567772040 /nfs/dbraw/zinc/77/20/40/567772040.db2.gz PKCIFKRVCGQMQS-UHFFFAOYSA-N 0 2 384.299 3.107 10 0 GGAELN CCCCCc1nnc(NS(=O)(=O)c2cnc(OC)c(Cl)c2)s1 ZINC000647267569 567775353 /nfs/dbraw/zinc/77/53/53/567775353.db2.gz PIMUCMBBZNRCIW-UHFFFAOYSA-N 0 2 376.891 3.129 10 0 GGAELN CCC(CC)c1nnc(NS(=O)(=O)c2cnc(OC)c(Cl)c2)s1 ZINC000647268057 567775747 /nfs/dbraw/zinc/77/57/47/567775747.db2.gz OLCCPIKISHSBFP-UHFFFAOYSA-N 0 2 376.891 3.300 10 0 GGAELN O=S(=O)(CCCC1CCOCC1)Nc1nnc(/C=C\c2ccco2)s1 ZINC000647270901 567776215 /nfs/dbraw/zinc/77/62/15/567776215.db2.gz SIVHCEOAVHSUKK-WAYWQWQTSA-N 0 2 383.495 3.250 10 0 GGAELN Cc1c(S(=O)(=O)Nc2nc(CC(C)(C)C)cs2)coc1C(=O)N(C)C ZINC000647271512 567776793 /nfs/dbraw/zinc/77/67/93/567776793.db2.gz QUWPSSILHQFKKC-UHFFFAOYSA-N 0 2 385.511 3.136 10 0 GGAELN COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)Nc1csc2ccccc12 ZINC000555428383 567784487 /nfs/dbraw/zinc/78/44/87/567784487.db2.gz XAVRACKEHIDTJR-UHFFFAOYSA-N 0 2 397.499 3.114 10 0 GGAELN CC[C@H](O)Cc1nc(-c2cc(Br)c(O)c(Br)c2)no1 ZINC000647431025 567784982 /nfs/dbraw/zinc/78/49/82/567784982.db2.gz HKTZLFONYNYHIL-ZETCQYMHSA-N 0 2 392.047 3.281 10 0 GGAELN C[C@@H]1CC[N@H+](Cc2ncc(Br)cc2Br)C[C@@H]1C(=O)[O-] ZINC000647461758 567787319 /nfs/dbraw/zinc/78/73/19/567787319.db2.gz XKKJVKHUAHEZIG-SCZZXKLOSA-N 0 2 392.091 3.149 10 0 GGAELN C[C@@H]1CC[N@@H+](Cc2ncc(Br)cc2Br)C[C@@H]1C(=O)[O-] ZINC000647461758 567787322 /nfs/dbraw/zinc/78/73/22/567787322.db2.gz XKKJVKHUAHEZIG-SCZZXKLOSA-N 0 2 392.091 3.149 10 0 GGAELN Oc1c(Br)cc(CN2CC([C@@H]3CCOC3)C2)cc1Br ZINC000668092257 567795746 /nfs/dbraw/zinc/79/57/46/567795746.db2.gz ABQPWHRBBSFTFH-SNVBAGLBSA-N 0 2 391.103 3.386 10 0 GGAELN Cc1n[nH]cc1-c1nnc(NS(=O)(=O)c2cc(Cl)sc2Cl)s1 ZINC000444190203 567796114 /nfs/dbraw/zinc/79/61/14/567796114.db2.gz YACXBQPXNSIQBA-UHFFFAOYSA-N 0 2 396.306 3.406 10 0 GGAELN COC(=O)[C@H]1CCC[C@H](C(=O)N=c2ccc(-c3ccc(Cl)s3)n[nH]2)C1 ZINC000598867373 567796379 /nfs/dbraw/zinc/79/63/79/567796379.db2.gz COJHGRRDUCCBEC-QWRGUYRKSA-N 0 2 379.869 3.198 10 0 GGAELN COC(=O)c1ccc(=N[C@H]2CCCSc3ccc(Br)cc32)[nH]n1 ZINC000599147916 567807711 /nfs/dbraw/zinc/80/77/11/567807711.db2.gz TYPLLKOXTVLQGC-LBPRGKRZSA-N 0 2 394.294 3.487 10 0 GGAELN COc1cccc(-c2nsc(NS(=O)(=O)c3cc(F)cc(Cl)c3)n2)c1 ZINC000534401662 567810027 /nfs/dbraw/zinc/81/00/27/567810027.db2.gz UOVFRQNANFYWQU-UHFFFAOYSA-N 0 2 399.856 3.229 10 0 GGAELN COC(=O)c1c(SCC(=O)Nc2ccccc2)[nH]c2ccc(C)cc2c1=O ZINC000015731500 570223428 /nfs/dbraw/zinc/22/34/28/570223428.db2.gz VXZLGBTXUHCIRI-UHFFFAOYSA-N 0 2 382.441 3.354 10 0 GGAELN Cc1ccc(S(=O)(=O)Nc2cnn(-c3cnn(-c4ccccc4)c3)c2)cc1 ZINC000020368342 570253574 /nfs/dbraw/zinc/25/35/74/570253574.db2.gz JZDPMHJPZZJMAD-UHFFFAOYSA-N 0 2 379.445 3.167 10 0 GGAELN Cc1cc(NC(=O)c2c(C)[nH]n(-c3ccccc3)c2=O)n(Cc2ccccc2)n1 ZINC000114629117 570273801 /nfs/dbraw/zinc/27/38/01/570273801.db2.gz NOWUETBXOYADHK-FQEVSTJZSA-N 0 2 387.443 3.217 10 0 GGAELN CC(=O)c1ccc(NC(=O)CCc2c(C)[nH]n(-c3nc(C)cs3)c2=O)cc1 ZINC000015858763 570277550 /nfs/dbraw/zinc/27/75/50/570277550.db2.gz PESUGKKOEVCIQU-UHFFFAOYSA-N 0 2 384.461 3.425 10 0 GGAELN C[C@@H](NC(=O)CCc1nnc(-c2ccc(F)c(F)c2)[nH]c1=O)c1ccccc1 ZINC000034768349 570333456 /nfs/dbraw/zinc/33/34/56/570333456.db2.gz FLQNRBQGQYCBSN-GFCCVEGCSA-N 0 2 384.386 3.332 10 0 GGAELN CC(C)CCNC(=O)CCc1nnc(-c2cccc(C(F)(F)F)c2)[nH]c1=O ZINC000034767554 570333531 /nfs/dbraw/zinc/33/35/31/570333531.db2.gz NHFBMJCHSCJHDX-UHFFFAOYSA-N 0 2 382.386 3.358 10 0 GGAELN O=S(=O)(Nc1cccc(-c2nnc3n2CCC3)c1)c1ccc(Cl)cc1F ZINC000022959733 570339198 /nfs/dbraw/zinc/33/91/98/570339198.db2.gz ZUDZGCILQNTBHL-UHFFFAOYSA-N 0 2 392.843 3.485 10 0 GGAELN O=C(C[C@@H]1SC(N2CCCC2)=NC1=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000028757071 570463738 /nfs/dbraw/zinc/46/37/38/570463738.db2.gz FCDBRGGRESKJQV-LBPRGKRZSA-N 0 2 387.383 3.008 10 0 GGAELN O=C(CC1SC(N2CCCC2)=NC1=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000028757071 570463740 /nfs/dbraw/zinc/46/37/40/570463740.db2.gz FCDBRGGRESKJQV-LBPRGKRZSA-N 0 2 387.383 3.008 10 0 GGAELN CCc1nc2[nH]c(C)nn2c(=O)c1NC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000033048565 570700231 /nfs/dbraw/zinc/70/02/31/570700231.db2.gz FDEMIUYDEVPOIT-UHFFFAOYSA-N 0 2 380.330 3.364 10 0 GGAELN Cc1noc(C)c1S(=O)(=O)Nc1ccc2sc(NC(=O)C(C)C)nc2c1 ZINC000033116470 570813949 /nfs/dbraw/zinc/81/39/49/570813949.db2.gz XXMGKEUULIUHHJ-UHFFFAOYSA-N 0 2 394.478 3.296 10 0 GGAELN Cn1c(O)c(C2=Nc3ccccc3S[C@@H](c3cccs3)C2)c(=O)n(C)c1=O ZINC000101766375 570831301 /nfs/dbraw/zinc/83/13/01/570831301.db2.gz ZPYUKBQBGDVVGE-OAHLLOKOSA-N 0 2 399.497 3.209 10 0 GGAELN Cn1c(O)c(C2=Nc3ccccc3S[C@H](c3cccs3)C2)c(=O)n(C)c1=O ZINC000101766371 570831395 /nfs/dbraw/zinc/83/13/95/570831395.db2.gz ZPYUKBQBGDVVGE-HNNXBMFYSA-N 0 2 399.497 3.209 10 0 GGAELN Cc1ccc(N(Cc2nn3c(nc(C)cc3=O)[nH]2)C(=O)c2cccc(C)c2)cc1 ZINC000101801939 570835010 /nfs/dbraw/zinc/83/50/10/570835010.db2.gz JFOLBZKGLCMEFS-UHFFFAOYSA-N 0 2 387.443 3.190 10 0 GGAELN Cc1cccc(N(Cc2nn3c(nc(C)cc3=O)[nH]2)C(=O)C2CCCCC2)c1 ZINC000101802306 570835171 /nfs/dbraw/zinc/83/51/71/570835171.db2.gz KVHICKMAZNJBLE-UHFFFAOYSA-N 0 2 379.464 3.148 10 0 GGAELN Cc1ccc(Cc2c(C)nc3[nH]c(CNc4ccccc4F)nn3c2=O)cc1 ZINC000101802924 570835219 /nfs/dbraw/zinc/83/52/19/570835219.db2.gz HHKHCLKASCUMRC-UHFFFAOYSA-N 0 2 377.423 3.376 10 0 GGAELN CC(C)(C)C(=O)COC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1O ZINC000003240304 570840176 /nfs/dbraw/zinc/84/01/76/570840176.db2.gz JENLJRNYGHNKSB-UHFFFAOYSA-N 0 2 397.474 3.027 10 0 GGAELN Cc1ccc(N(Cc2nn3c(nc(C)cc3=O)[nH]2)C(=O)C2CCCCC2)cc1 ZINC000101581737 570901047 /nfs/dbraw/zinc/90/10/47/570901047.db2.gz ASBIJCSKMOOWRO-UHFFFAOYSA-N 0 2 379.464 3.148 10 0 GGAELN CCOC(=O)c1cccc(NS(=O)(=O)c2c(C)nn(-c3ccccc3)c2C)c1 ZINC000013948582 570902892 /nfs/dbraw/zinc/90/28/92/570902892.db2.gz TWESRZBZOGPLSE-UHFFFAOYSA-N 0 2 399.472 3.467 10 0 GGAELN COCCCNC(=O)CCCn1c(=O)c2sc3ccccc3c2[nH]c1=S ZINC000004793178 570993038 /nfs/dbraw/zinc/99/30/38/570993038.db2.gz CLWOSKQTLHRKQL-UHFFFAOYSA-N 0 2 391.518 3.207 10 0 GGAELN O=C([O-])[C@H]1CN(C(=O)OCC2c3ccccc3-c3ccccc32)Cc2[nH]c[nH+]c21 ZINC000725241280 570997047 /nfs/dbraw/zinc/99/70/47/570997047.db2.gz CRHMBNGFYZIHAO-KRWDZBQOSA-N 0 2 389.411 3.343 10 0 GGAELN CCOc1cc2[nH]c(=S)n(CCCC(=O)NC(C)C)c(=O)c2cc1OCC ZINC000003010270 1398324135 /nfs/dbraw/zinc/32/41/35/1398324135.db2.gz OEHVRHYWHVNJLS-UHFFFAOYSA-N 0 2 393.509 3.161 10 0 GGAELN COCCn1c(=O)c2ccc(C(=O)N[C@H]3CCCC[C@@H]3C)cc2[nH]c1=S ZINC000003043556 1398325449 /nfs/dbraw/zinc/32/54/49/1398325449.db2.gz FTTACITXMGIRKE-WFASDCNBSA-N 0 2 375.494 3.014 10 0 GGAELN O=C(CCCCCn1c(=O)c2sccc2[nH]c1=S)NCc1cccnc1 ZINC000003059174 1398326639 /nfs/dbraw/zinc/32/66/39/1398326639.db2.gz WZMWJCMQEXZRFR-UHFFFAOYSA-N 0 2 388.518 3.392 10 0 GGAELN CCN(Cc1ccccc1)C(=O)CSc1nc(=O)cc(O)n1C1CCCC1 ZINC000003324102 1398334867 /nfs/dbraw/zinc/33/48/67/1398334867.db2.gz JVLIAZVVRQHCRZ-UHFFFAOYSA-N 0 2 387.505 3.205 10 0 GGAELN Cc1nc(NS(=O)(=O)c2cnc(Cl)c(Br)c2)sc1C ZINC000006858568 1398569483 /nfs/dbraw/zinc/56/94/83/1398569483.db2.gz LMZLHDFWWUJRES-UHFFFAOYSA-N 0 2 382.692 3.372 10 0 GGAELN CCOCCCn1c(=O)c2ccc(C(=O)NCc3ccco3)cc2[nH]c1=S ZINC000020643993 1399351455 /nfs/dbraw/zinc/35/14/55/1399351455.db2.gz BTJBGWZSOYOSBJ-UHFFFAOYSA-N 0 2 387.461 3.009 10 0 GGAELN Cc1nc2sc3ccccc3n2c(=O)c1S(=O)(=O)Nc1ccc(F)cc1 ZINC000021777401 1399409371 /nfs/dbraw/zinc/40/93/71/1399409371.db2.gz YMGCODXYRSXXGM-UHFFFAOYSA-N 0 2 389.433 3.158 10 0 GGAELN Cc1ccc2c(c1)sc1nc(C)c(S(=O)(=O)Nc3ccccc3)c(=O)n21 ZINC000021883988 1399419054 /nfs/dbraw/zinc/41/90/54/1399419054.db2.gz VYAXILAQOGIJCH-UHFFFAOYSA-N 0 2 385.470 3.327 10 0 GGAELN N#CC(C(=O)[C@H]1C[C@@H]1c1ccc(F)cc1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000049394800 1405376628 /nfs/dbraw/zinc/37/66/28/1405376628.db2.gz HOUVOAPVIZKRAB-IXDOHACOSA-N 0 2 388.406 3.316 10 0 GGAELN N#C[C@H](C(=O)[C@H]1C[C@@H]1c1ccc(F)cc1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000049394800 1405376646 /nfs/dbraw/zinc/37/66/46/1405376646.db2.gz HOUVOAPVIZKRAB-IXDOHACOSA-N 0 2 388.406 3.316 10 0 GGAELN COc1cc(OC)cc([C@@H]2CCN(C(=O)C3=NN(c4ccccc4)CC3=O)C2)c1 ZINC000176383164 1428288723 /nfs/dbraw/zinc/28/87/23/1428288723.db2.gz OZNLZEQGUFVKBG-OAHLLOKOSA-N 0 2 393.443 3.225 10 0 GGAELN CCc1noc(-c2c(C)[nH]c(C)c2S(=O)(=O)Nc2cc(C)ccc2OC)n1 ZINC000096379805 1410329679 /nfs/dbraw/zinc/32/96/79/1410329679.db2.gz CPYVFINAAUAQGG-UHFFFAOYSA-N 0 2 390.465 3.362 10 0 GGAELN CCc1noc(-c2c(C)[nH]c(C)c2S(=O)(=O)Nc2ccccc2OC)n1 ZINC000096379823 1410329701 /nfs/dbraw/zinc/32/97/01/1410329701.db2.gz ARRWYXNSGCVKCH-UHFFFAOYSA-N 0 2 376.438 3.053 10 0 GGAELN CCOc1ccccc1NS(=O)(=O)c1c(C)[nH]c(-c2nnc(C)o2)c1C ZINC000096379415 1410329773 /nfs/dbraw/zinc/32/97/73/1410329773.db2.gz YTXYFIDQMPKVCF-UHFFFAOYSA-N 0 2 376.438 3.189 10 0 GGAELN CCc1cc(Br)ccc1NS(=O)(=O)c1cnc(Cl)nc1 ZINC000128062352 1415904095 /nfs/dbraw/zinc/90/40/95/1415904095.db2.gz MUCGMXMEKITWCS-UHFFFAOYSA-N 0 2 376.663 3.256 10 0 GGAELN Cn1nc(C2CCC2)cc1NS(=O)(=O)c1cccc(OC(F)(F)F)c1 ZINC000128825603 1416078550 /nfs/dbraw/zinc/07/85/50/1416078550.db2.gz SEHDLBQJYMLBGR-UHFFFAOYSA-N 0 2 375.372 3.387 10 0 GGAELN COC(=O)c1ccc(NS(=O)(=O)c2cnc(Cl)c(Cl)c2)cc1F ZINC000131071527 1416504763 /nfs/dbraw/zinc/50/47/63/1416504763.db2.gz FRHWCVITZRDLQV-UHFFFAOYSA-N 0 2 379.196 3.115 10 0 GGAELN COc1ccc(Br)cc1S(=O)(=O)Nc1ccnc(Cl)c1 ZINC000149309208 1417774265 /nfs/dbraw/zinc/77/42/65/1417774265.db2.gz QCBFKAZWRMGKLA-UHFFFAOYSA-N 0 2 377.647 3.307 10 0 GGAELN Cc1cc(NC(=O)c2cccc(Nc3nn[nH]n3)c2)nn1-c1ccccc1Cl ZINC001137889088 1429218649 /nfs/dbraw/zinc/21/86/49/1429218649.db2.gz PKIUIWBRFFNORZ-UHFFFAOYSA-N 0 2 394.826 3.343 10 0 GGAELN Cc1nn(C)cc1NS(=O)(=O)c1cc(Br)cc(C(F)(F)F)c1 ZINC000179011755 1429242004 /nfs/dbraw/zinc/24/20/04/1429242004.db2.gz CQQJFOLHAURZOF-UHFFFAOYSA-N 0 2 398.204 3.311 10 0 GGAELN C[C@@H](NS(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)c1ccc2c(c1)OCO2 ZINC000157264440 1423969174 /nfs/dbraw/zinc/96/91/74/1423969174.db2.gz NORUAXUEIDBNKS-ZCFIWIBFSA-N 0 2 395.305 3.150 10 0 GGAELN CN1C(=O)Cc2cc(S(=O)(=O)Nc3ncc(-c4ccccc4)s3)ccc21 ZINC000171154564 1425513485 /nfs/dbraw/zinc/51/34/85/1425513485.db2.gz VPUHEPQRRWSFEP-UHFFFAOYSA-N 0 2 385.470 3.130 10 0 GGAELN COC(=O)c1ccc(C(F)(F)F)cc1NS(=O)(=O)CCC(F)(F)F ZINC000171336178 1425623716 /nfs/dbraw/zinc/62/37/16/1425623716.db2.gz HMBPYMAZWCFZCO-UHFFFAOYSA-N 0 2 379.278 3.186 10 0 GGAELN C[C@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)c1cccc(Nc2nn[nH]n2)c1 ZINC000907589182 1426361668 /nfs/dbraw/zinc/36/16/68/1426361668.db2.gz SKOFFDMRVDOMBI-SJCJKPOMSA-N 0 2 398.854 3.199 10 0 GGAELN Cc1ccc(CNC(=O)c2cccc(Nc3nn[nH]n3)c2)c(OC(C)(C)C)c1 ZINC001137490176 1426775775 /nfs/dbraw/zinc/77/57/75/1426775775.db2.gz VTHRSJICKZOQJS-UHFFFAOYSA-N 0 2 380.452 3.359 10 0 GGAELN Cc1c(Br)ccc(NC(=O)c2cccc(Nc3nn[nH]n3)c2)c1F ZINC001139632825 1426895395 /nfs/dbraw/zinc/89/53/95/1426895395.db2.gz BOBLUQCFINSCCP-UHFFFAOYSA-N 0 2 391.204 3.406 10 0 GGAELN O=S(=O)(Nc1ccc2nnc(C3CCC3)n2c1)c1cnc(Cl)c(Cl)c1 ZINC000188235185 1431864447 /nfs/dbraw/zinc/86/44/47/1431864447.db2.gz KCFOZGNDRRQEHY-UHFFFAOYSA-N 0 2 398.275 3.499 10 0 GGAELN N#Cc1ccc(Cl)c(S(=O)(=O)Nc2ccc3nnc(C4CCC4)n3c2)c1 ZINC000188235606 1431864467 /nfs/dbraw/zinc/86/44/67/1431864467.db2.gz FQUFRLWJKMLJDF-UHFFFAOYSA-N 0 2 387.852 3.323 10 0 GGAELN COc1cc(S(=O)(=O)Nc2cc(C)nn2-c2ccccc2F)ccc1F ZINC000190980587 1432542661 /nfs/dbraw/zinc/54/26/61/1432542661.db2.gz IRWKYVUQMTWMIP-UHFFFAOYSA-N 0 2 379.388 3.268 10 0 GGAELN Cc1csc(CCCNC(=O)C2=NN(c3ccc(Cl)cc3)CC2=O)n1 ZINC000193990041 1433096992 /nfs/dbraw/zinc/09/69/92/1433096992.db2.gz BOLKMRVJSUHQOU-UHFFFAOYSA-N 0 2 376.869 3.359 10 0 GGAELN O=S(=O)(Cc1ccc(Cl)cc1Cl)Nc1cnc(Br)cn1 ZINC000194607271 1433204799 /nfs/dbraw/zinc/20/47/99/1433204799.db2.gz UOPLDRKKHDUZBR-UHFFFAOYSA-N 0 2 397.081 3.488 10 0 GGAELN Cc1coc(-c2cc(NC(=O)c3cccc(Nc4nn[nH]n4)c3)ccc2C)n1 ZINC001149708909 1442111603 /nfs/dbraw/zinc/11/16/03/1442111603.db2.gz OQCYPUSRCHDRGC-UHFFFAOYSA-N 0 2 375.392 3.467 10 0 GGAELN C[C@H]1SCCN(C(=O)c2cccc(Nc3nn[nH]n3)c2)[C@@H]1c1ccccc1 ZINC001146709022 1442293284 /nfs/dbraw/zinc/29/32/84/1442293284.db2.gz IQQLGSXNXWBMRY-DYVFJYSZSA-N 0 2 380.477 3.262 10 0 GGAELN CN(Cc1ccccc1OC(F)(F)F)C(=O)c1cccc(Nc2nn[nH]n2)c1 ZINC001135999309 1442394096 /nfs/dbraw/zinc/39/40/96/1442394096.db2.gz HNOAVQUYJNJEME-UHFFFAOYSA-N 0 2 392.341 3.114 10 0 GGAELN O=C(NC12CCC(C(F)(F)F)(CC1)CC2)c1cccc(Nc2nn[nH]n2)c1 ZINC000907804570 1449150007 /nfs/dbraw/zinc/15/00/07/1449150007.db2.gz ZWUAEZCVHQCISR-UHFFFAOYSA-N 0 2 380.374 3.328 10 0 GGAELN CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C(=O)[O-])C2CCCC2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000663046053 939850930 /nfs/dbraw/zinc/85/09/30/939850930.db2.gz PDEWFNBBAKVXEC-BQFCYCMXSA-N 0 2 398.425 3.246 10 0 GGAELN CC[N@H+]1CC[C@H](NC(=O)[C@@H](C(=O)[O-])C2CCCC2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000663046053 939850931 /nfs/dbraw/zinc/85/09/31/939850931.db2.gz PDEWFNBBAKVXEC-BQFCYCMXSA-N 0 2 398.425 3.246 10 0 GGAELN Cn1c(Cc2cccs2)nnc1SCc1nc(=O)c2sccc2[nH]1 ZINC000014117293 207011330 /nfs/dbraw/zinc/01/13/30/207011330.db2.gz WRRCUIUCZDZRPE-UHFFFAOYSA-N 0 2 375.504 3.058 10 0 GGAELN CS(=O)(=O)Nc1nc2ccc(NC(=O)c3c(F)cccc3F)cc2s1 ZINC000015861976 207065326 /nfs/dbraw/zinc/06/53/26/207065326.db2.gz AZEIHYYMNGSICQ-UHFFFAOYSA-N 0 2 383.401 3.198 10 0 GGAELN CCOc1ccccc1C(=O)Nc1ccc2nc(NS(C)(=O)=O)sc2c1 ZINC000015861973 207065476 /nfs/dbraw/zinc/06/54/76/207065476.db2.gz DAKJMYBONCEOLN-UHFFFAOYSA-N 0 2 391.474 3.319 10 0 GGAELN COC(=O)c1c(SCC(=O)Nc2ccccc2C)[nH]c2ccccc2c1=O ZINC000015731476 207057802 /nfs/dbraw/zinc/05/78/02/207057802.db2.gz YILMSEYTDVBWMI-UHFFFAOYSA-N 0 2 382.441 3.354 10 0 GGAELN O=C(Nn1cnc2scc(-c3ccccc3)c2c1=O)c1n[nH]c2ccccc21 ZINC000017172389 207087115 /nfs/dbraw/zinc/08/71/15/207087115.db2.gz NKNLPEIZVKGKLX-UHFFFAOYSA-N 0 2 387.424 3.385 10 0 GGAELN Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)s1 ZINC000020574707 207204361 /nfs/dbraw/zinc/20/43/61/207204361.db2.gz SLHAVNPAHVYYAN-UHFFFAOYSA-N 0 2 381.866 3.261 10 0 GGAELN Cc1cc(-c2ccc(S(=O)(=O)Nc3ccc4c(c3)OCCO4)s2)on1 ZINC000020978380 207221833 /nfs/dbraw/zinc/22/18/33/207221833.db2.gz IMWJGZSEASNPKW-UHFFFAOYSA-N 0 2 378.431 3.284 10 0 GGAELN COc1cc2c(cc1OC)[C@H](CC(=O)[O-])[N@H+](CC(=O)Nc1cccc(C)c1)CC2 ZINC000021045920 207224013 /nfs/dbraw/zinc/22/40/13/207224013.db2.gz AFGQJFRWOLAXFZ-SFHVURJKSA-N 0 2 398.459 3.025 10 0 GGAELN COc1cc2c(cc1OC)[C@H](CC(=O)[O-])[N@@H+](CC(=O)Nc1cccc(C)c1)CC2 ZINC000021045920 207224019 /nfs/dbraw/zinc/22/40/19/207224019.db2.gz AFGQJFRWOLAXFZ-SFHVURJKSA-N 0 2 398.459 3.025 10 0 GGAELN COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])[N@H+](CC(=O)Nc1ccc(C)cc1)CC2 ZINC000021045982 207224382 /nfs/dbraw/zinc/22/43/82/207224382.db2.gz MZVFZAZYDCHUFF-GOSISDBHSA-N 0 2 398.459 3.025 10 0 GGAELN COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])[N@@H+](CC(=O)Nc1ccc(C)cc1)CC2 ZINC000021045982 207224385 /nfs/dbraw/zinc/22/43/85/207224385.db2.gz MZVFZAZYDCHUFF-GOSISDBHSA-N 0 2 398.459 3.025 10 0 GGAELN Cc1ccc(NC(=O)Nc2ccc3sc(NS(C)(=O)=O)nc3c2)cc1F ZINC000021357514 207229387 /nfs/dbraw/zinc/22/93/87/207229387.db2.gz KTYPVWQBVBEOFP-UHFFFAOYSA-N 0 2 394.453 3.181 10 0 GGAELN COC(=O)c1cc(-c2ccc(S(=O)(=O)Nc3ccc(F)cc3)s2)on1 ZINC000021540618 207231994 /nfs/dbraw/zinc/23/19/94/207231994.db2.gz NFASJFYVGMNYCR-UHFFFAOYSA-N 0 2 382.394 3.130 10 0 GGAELN CCc1nc(-c2csc(S(=O)(=O)Nc3ccc(OC)cc3OC)c2)no1 ZINC000021701988 207235454 /nfs/dbraw/zinc/23/54/54/207235454.db2.gz LGZMVRLYRKFPMM-UHFFFAOYSA-N 0 2 395.462 3.179 10 0 GGAELN COc1ccc(-c2cc3[nH]c(CN4C[C@H](C)O[C@@H](C)C4)nc(=O)c3s2)cc1 ZINC000022009953 207244694 /nfs/dbraw/zinc/24/46/94/207244694.db2.gz HMQJAOQTBAWOJL-STQMWFEESA-N 0 2 385.489 3.269 10 0 GGAELN Cn1cc[nH+]c1[C@@H](NC(=O)CSCc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000024769845 207294328 /nfs/dbraw/zinc/29/43/28/207294328.db2.gz DPGYWQNFOKOHOZ-IBGZPJMESA-N 0 2 395.484 3.257 10 0 GGAELN CC(=O)c1ccc(Sc2c(C)cc(-n3ncc(=O)[nH]c3=O)cc2Cl)cc1 ZINC000029559336 207364291 /nfs/dbraw/zinc/36/42/91/207364291.db2.gz FCTYNXZMFMQDQW-UHFFFAOYSA-N 0 2 387.848 3.236 10 0 GGAELN O=S(=O)(Nc1cccc(S(=O)(=O)C2CCCC2)c1)c1ccccc1F ZINC000031722897 207384336 /nfs/dbraw/zinc/38/43/36/207384336.db2.gz PMFULXOFUBQFRD-UHFFFAOYSA-N 0 2 383.466 3.343 10 0 GGAELN CCn1c(C)cc(C(=O)CS(=O)(=O)Cc2cc3c(c(Cl)c2)OCO3)c1C ZINC000040070070 207570959 /nfs/dbraw/zinc/57/09/59/207570959.db2.gz WRLRQWAXZMZSLW-UHFFFAOYSA-N 0 2 397.880 3.305 10 0 GGAELN Cc1ccc(NS(=O)(=O)c2cc3c(s2)CCN(C(=O)C2CC2)C3)cc1 ZINC000065196242 207844593 /nfs/dbraw/zinc/84/45/93/207844593.db2.gz SGFRLVCRDNKSLF-UHFFFAOYSA-N 0 2 376.503 3.152 10 0 GGAELN O=C(Nc1cc(=O)[nH]n1-c1ccccc1)c1cc(Cl)nc(N2CCCC2)c1 ZINC000095464756 208189419 /nfs/dbraw/zinc/18/94/19/208189419.db2.gz IYFWTRGEJLOFJG-UHFFFAOYSA-N 0 2 383.839 3.479 10 0 GGAELN O=C(NCc1ccc(F)cc1)c1nc(Br)c2cccnc2c1O ZINC000095573474 208234293 /nfs/dbraw/zinc/23/42/93/208234293.db2.gz VRVGOUHPADQNHC-UHFFFAOYSA-N 0 2 376.185 3.167 10 0 GGAELN CCOc1ccccc1NS(=O)(=O)c1c(C)[nH]c(C)c1-c1nc(C)no1 ZINC000096379763 208311734 /nfs/dbraw/zinc/31/17/34/208311734.db2.gz OYMBLXOFTNTDQA-UHFFFAOYSA-N 0 2 376.438 3.189 10 0 GGAELN COc1ccc(OC)c(S(=O)(=O)Nc2cc(-c3cc[nH]n3)sc2C)c1 ZINC000096386748 208311824 /nfs/dbraw/zinc/31/18/24/208311824.db2.gz PNZSDVGYKJRTTK-UHFFFAOYSA-N 0 2 379.463 3.265 10 0 GGAELN COc1ccc(C)cc1NS(=O)(=O)c1c(C)[nH]c(C)c1-c1nnc(C)o1 ZINC000096379575 208313149 /nfs/dbraw/zinc/31/31/49/208313149.db2.gz CWSFUUKYNVRQOZ-UHFFFAOYSA-N 0 2 376.438 3.108 10 0 GGAELN O=C(C=C(O)C(=O)Nc1ccc(Br)cn1)c1ccc(Cl)cc1 ZINC000100400362 208377459 /nfs/dbraw/zinc/37/74/59/208377459.db2.gz UXBUTXJDDZMMOZ-UHFFFAOYSA-N 0 2 381.613 3.278 10 0 GGAELN O=C(Nn1c(=O)c2ccccc2[nH]c1=S)c1cccnc1Oc1ccccc1 ZINC000100253519 208373744 /nfs/dbraw/zinc/37/37/44/208373744.db2.gz PPQKUDLPCBEUBI-UHFFFAOYSA-N 0 2 390.424 3.256 10 0 GGAELN O=C(Nc1ccc(F)cc1)c1ccc2c(c1)[nH]c(=S)n(C[C@H]1CCCO1)c2=O ZINC000003631920 208515143 /nfs/dbraw/zinc/51/51/43/208515143.db2.gz QEIQAJJVOOSPCV-OAHLLOKOSA-N 0 2 399.447 3.256 10 0 GGAELN CC(C)(C)c1cc(NS(=O)(=O)c2ccc(NC(=O)C(F)(F)F)cc2)no1 ZINC000225443505 208954276 /nfs/dbraw/zinc/95/42/76/208954276.db2.gz WJCGNSLSRHTRMM-UHFFFAOYSA-N 0 2 391.371 3.274 10 0 GGAELN COc1cc(S(=O)(=O)Nc2ccnn2Cc2cccc(C)c2)ccc1F ZINC000241588476 209020483 /nfs/dbraw/zinc/02/04/83/209020483.db2.gz PDMRGIRFBUJIRV-UHFFFAOYSA-N 0 2 375.425 3.188 10 0 GGAELN Nc1c(Nc2ccc(Cl)cc2Cl)nc[nH+]c1N1CCC(C(=O)[O-])CC1 ZINC000040783350 132406844 /nfs/dbraw/zinc/40/68/44/132406844.db2.gz HAZKKSMXDXJTHE-UHFFFAOYSA-N 0 2 382.251 3.410 10 0 GGAELN CCc1nc2sc(C(C)C)nn2c1S(=O)(=O)Nc1cccc(OC)c1 ZINC000065183982 222107553 /nfs/dbraw/zinc/10/75/53/222107553.db2.gz ALSZWBDULDQZCS-UHFFFAOYSA-N 0 2 380.495 3.286 10 0 GGAELN CC[N@H+](CCCn1c(=O)c2ccccc2nc1SCC(=O)[O-])c1ccccc1 ZINC000073659835 521042613 /nfs/dbraw/zinc/04/26/13/521042613.db2.gz XNWSEGFTIGFPJA-UHFFFAOYSA-N 0 2 397.500 3.490 10 0 GGAELN CC[N@@H+](CCCn1c(=O)c2ccccc2nc1SCC(=O)[O-])c1ccccc1 ZINC000073659835 521042622 /nfs/dbraw/zinc/04/26/22/521042622.db2.gz XNWSEGFTIGFPJA-UHFFFAOYSA-N 0 2 397.500 3.490 10 0 GGAELN COC(=O)c1ccc2c(c1)[nH]c(=S)n(Cc1ccc(OC(C)C)cc1)c2=O ZINC000073660887 522186651 /nfs/dbraw/zinc/18/66/51/522186651.db2.gz HIBRBUWQMDXRTE-UHFFFAOYSA-N 0 2 384.457 3.307 10 0 GGAELN COC(=O)c1ccc(C)c(NS(=O)(=O)c2sccc2Br)c1 ZINC000042266225 564444555 /nfs/dbraw/zinc/44/45/55/564444555.db2.gz DKNGIHQDUWSKPN-UHFFFAOYSA-N 0 2 390.280 3.406 10 0 GGAELN COCc1csc(NS(=O)(=O)c2cc(Br)ccc2C)n1 ZINC000115928197 564201134 /nfs/dbraw/zinc/20/11/34/564201134.db2.gz GVMWAAHRJWLNHP-UHFFFAOYSA-N 0 2 377.285 3.161 10 0 GGAELN COC(=O)c1ccc(S(=O)(=O)Nc2ccccc2OC(F)(F)F)cc1 ZINC000012536236 564268196 /nfs/dbraw/zinc/26/81/96/564268196.db2.gz LRVJQXFTVYPRFQ-UHFFFAOYSA-N 0 2 375.324 3.173 10 0 GGAELN CS(=O)(=O)Nc1nc2cc(NC(=O)Nc3cccc(F)c3)ccc2s1 ZINC000013347420 564276413 /nfs/dbraw/zinc/27/64/13/564276413.db2.gz ISCSWQNIQCGSFV-UHFFFAOYSA-N 0 2 380.426 3.451 10 0 GGAELN O=C(c1cc(Cl)cc(Br)c1O)N1CC[C@@H](Oc2cccnc2)C1 ZINC000119611043 564279329 /nfs/dbraw/zinc/27/93/29/564279329.db2.gz XSCARRXQNCCYFA-GFCCVEGCSA-N 0 2 397.656 3.497 10 0 GGAELN CS(=O)(=O)c1ccccc1S(=O)(=O)Nc1cccc(-c2nccs2)c1 ZINC000119796463 564289218 /nfs/dbraw/zinc/28/92/18/564289218.db2.gz YSHSBRCKFMCLFB-UHFFFAOYSA-N 0 2 394.499 3.014 10 0 GGAELN CCc1ccc(S(=O)(=O)Nc2ccc(-c3nnc(N(C)C)o3)cc2)s1 ZINC000119814468 564289997 /nfs/dbraw/zinc/28/99/97/564289997.db2.gz LYXJWDDMTOZEDY-UHFFFAOYSA-N 0 2 378.479 3.227 10 0 GGAELN O=S(=O)(Nc1c[nH]nc1-c1ccccn1)c1ccccc1Br ZINC000119830104 564290803 /nfs/dbraw/zinc/29/08/03/564290803.db2.gz KQQAQDGBIVIFNU-UHFFFAOYSA-N 0 2 379.239 3.035 10 0 GGAELN Cc1cccc(S(=O)(=O)Nc2c[nH]nc2-c2ccccn2)c1Br ZINC000120812085 564337838 /nfs/dbraw/zinc/33/78/38/564337838.db2.gz VDTAFHUOXZBLME-UHFFFAOYSA-N 0 2 393.266 3.343 10 0 GGAELN Cc1ccc(S(=O)(=O)Nc2c[nH]nc2-c2ccccn2)c(Br)c1 ZINC000120810687 564338296 /nfs/dbraw/zinc/33/82/96/564338296.db2.gz ZPSVILYXIZZSAA-UHFFFAOYSA-N 0 2 393.266 3.343 10 0 GGAELN CCc1ccc2nc(NS(=O)(=O)c3ccc(S(C)(=O)=O)cc3)sc2c1 ZINC000120835150 564339954 /nfs/dbraw/zinc/33/99/54/564339954.db2.gz AKHOWRPDZLBADH-UHFFFAOYSA-N 0 2 396.515 3.063 10 0 GGAELN COc1ccsc1S(=O)(=O)Nc1ccc(-c2n[nH]c(C3CC3)n2)cc1 ZINC000121227297 564360239 /nfs/dbraw/zinc/36/02/39/564360239.db2.gz WFZIPZLXKOFWSB-UHFFFAOYSA-N 0 2 376.463 3.220 10 0 GGAELN COCCn1nc(C)c(NS(=O)(=O)c2cc(C)c(F)cc2Cl)c1C ZINC000121891395 564391186 /nfs/dbraw/zinc/39/11/86/564391186.db2.gz CIWUKTGSGSIHRL-UHFFFAOYSA-N 0 2 375.853 3.048 10 0 GGAELN CNC(=O)C1(c2ccc(NS(=O)(=O)c3ccc(Cl)s3)cc2)CCC1 ZINC000033128564 564411027 /nfs/dbraw/zinc/41/10/27/564411027.db2.gz VPJMWQOWEZJDJH-UHFFFAOYSA-N 0 2 384.910 3.370 10 0 GGAELN CC(=O)N1CCCSc2ccc(S(=O)(=O)Nc3ccc(Cl)cn3)cc21 ZINC000035504546 564415289 /nfs/dbraw/zinc/41/52/89/564415289.db2.gz QSIUZNUQKRSTEO-UHFFFAOYSA-N 0 2 397.909 3.385 10 0 GGAELN O=S(=O)(Nc1cnc(-c2cccc(O)c2)nc1)c1c(F)cccc1Cl ZINC000125910359 564530703 /nfs/dbraw/zinc/53/07/03/564530703.db2.gz KBOMECXCAYHNNR-UHFFFAOYSA-N 0 2 379.800 3.443 10 0 GGAELN CCCc1cc(NS(=O)(=O)c2cc(Br)c(C)cc2OC)[nH]n1 ZINC000126471636 564550168 /nfs/dbraw/zinc/55/01/68/564550168.db2.gz VTQYSMQMLLTAGL-UHFFFAOYSA-N 0 2 388.287 3.243 10 0 GGAELN Cc1nc(NS(=O)(=O)c2ccc(Br)c(F)c2)cc(C2CC2)n1 ZINC000127451694 564584056 /nfs/dbraw/zinc/58/40/56/564584056.db2.gz ODMXKHZKLHVLGZ-UHFFFAOYSA-N 0 2 386.246 3.365 10 0 GGAELN COc1ccc(Br)c(S(=O)(=O)Nc2cc(C3CC3)nc(C)n2)c1 ZINC000127476532 564585099 /nfs/dbraw/zinc/58/50/99/564585099.db2.gz LWXBVSCQNJVWES-UHFFFAOYSA-N 0 2 398.282 3.234 10 0 GGAELN COc1cc(S(=O)(=O)Nc2cc(C3CC3)nc(C)n2)ccc1Br ZINC000127485782 564585599 /nfs/dbraw/zinc/58/55/99/564585599.db2.gz ODXGHLOYGVHONM-UHFFFAOYSA-N 0 2 398.282 3.234 10 0 GGAELN O=C(c1ccc(Cl)c(Cl)c1O)N1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000127511869 564586408 /nfs/dbraw/zinc/58/64/08/564586408.db2.gz HOHXWTCFTCXDJQ-GWCFXTLKSA-N 0 2 386.231 3.257 10 0 GGAELN O=C(c1ccc(Cl)c(Cl)c1O)N1CCOC[C@H]1C[C@@H](O)c1ccco1 ZINC000127511033 564586527 /nfs/dbraw/zinc/58/65/27/564586527.db2.gz HOHXWTCFTCXDJQ-ZWNOBZJWSA-N 0 2 386.231 3.257 10 0 GGAELN CCCCN(C(=O)c1ccc(Cl)c(Cl)c1O)[C@H]1CCS(=O)(=O)C1 ZINC000128193650 564610653 /nfs/dbraw/zinc/61/06/53/564610653.db2.gz VKYNIHZZEWTUAT-JTQLQIEISA-N 0 2 380.293 3.128 10 0 GGAELN CCCCN(C(=O)c1ccc(Cl)c(Cl)c1O)[C@@H]1CCS(=O)(=O)C1 ZINC000128193417 564610685 /nfs/dbraw/zinc/61/06/85/564610685.db2.gz VKYNIHZZEWTUAT-SNVBAGLBSA-N 0 2 380.293 3.128 10 0 GGAELN Cc1nn(C)c(Cl)c1S(=O)(=O)Nc1cc(NC(=O)C(C)C)ccc1C ZINC000055591986 564625496 /nfs/dbraw/zinc/62/54/96/564625496.db2.gz ZHAFANRQQQBFGJ-UHFFFAOYSA-N 0 2 384.889 3.086 10 0 GGAELN Cc1cc(Br)ccc1S(=O)(=O)Nc1c[nH]nc1-c1ccccn1 ZINC000128906513 564633552 /nfs/dbraw/zinc/63/35/52/564633552.db2.gz CQIQHFODKRWHKY-UHFFFAOYSA-N 0 2 393.266 3.343 10 0 GGAELN Cc1ccsc1-c1nsc(NS(=O)(=O)c2ccc3c(c2)CCO3)n1 ZINC000129062866 564637199 /nfs/dbraw/zinc/63/71/99/564637199.db2.gz BZXMSWORUDUVOY-UHFFFAOYSA-N 0 2 379.488 3.311 10 0 GGAELN COCCc1cc(NS(=O)(=O)c2cc3cc(Cl)ccc3s2)n(C)n1 ZINC000129644237 564655210 /nfs/dbraw/zinc/65/52/10/564655210.db2.gz BAIVWJOWYQKVST-UHFFFAOYSA-N 0 2 385.898 3.278 10 0 GGAELN COCCc1cc(NS(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)n(C)n1 ZINC000129670134 564655791 /nfs/dbraw/zinc/65/57/91/564655791.db2.gz LSIVIOWYVHCZGT-UHFFFAOYSA-N 0 2 398.699 3.370 10 0 GGAELN COC(=O)CCc1csc(NS(=O)(=O)c2cc(C)c(F)cc2Cl)n1 ZINC000129742986 564659094 /nfs/dbraw/zinc/65/90/94/564659094.db2.gz FUFFEPGLWSTUCO-UHFFFAOYSA-N 0 2 392.861 3.150 10 0 GGAELN COc1ccc(NS(=O)(=O)c2ccc(-c3nnc(C4CC4)o3)s2)cc1 ZINC000064920146 564736562 /nfs/dbraw/zinc/73/65/62/564736562.db2.gz RZBSXQCKXVHOCV-UHFFFAOYSA-N 0 2 377.447 3.485 10 0 GGAELN Cc1ncc(-c2ccc(S(=O)(=O)Nc3ccc4c(c3)OCCO4)s2)o1 ZINC000065003904 564738373 /nfs/dbraw/zinc/73/83/73/564738373.db2.gz TYVHEDXFJQZIMD-UHFFFAOYSA-N 0 2 378.431 3.284 10 0 GGAELN COc1ccc(NS(=O)(=O)c2cc(-c3nnc(C4CC4)o3)cs2)cc1 ZINC000065098688 564739761 /nfs/dbraw/zinc/73/97/61/564739761.db2.gz SZBPHXCKYBRFDN-UHFFFAOYSA-N 0 2 377.447 3.485 10 0 GGAELN CCC(=O)N1CCc2sc(S(=O)(=O)Nc3cccc(C)c3C)cc2C1 ZINC000065196155 564740488 /nfs/dbraw/zinc/74/04/88/564740488.db2.gz ZMYHTTDRVOPJKR-UHFFFAOYSA-N 0 2 378.519 3.460 10 0 GGAELN CCC(=O)N1CCc2sc(S(=O)(=O)Nc3cc(C)ccc3C)cc2C1 ZINC000065196168 564740581 /nfs/dbraw/zinc/74/05/81/564740581.db2.gz NIWFXHGIJUEXMH-UHFFFAOYSA-N 0 2 378.519 3.460 10 0 GGAELN Cc1cccc(NS(=O)(=O)c2cc3c(s2)CCN(C(=O)C2CC2)C3)c1 ZINC000065196259 564740903 /nfs/dbraw/zinc/74/09/03/564740903.db2.gz KOXCSGSOVCRKCD-UHFFFAOYSA-N 0 2 376.503 3.152 10 0 GGAELN Cc1c(Cl)cccc1NS(=O)(=O)c1cc(-c2ccc(=O)n(C)n2)cs1 ZINC000065128889 564741007 /nfs/dbraw/zinc/74/10/07/564741007.db2.gz KVMRQADMEJNLQN-UHFFFAOYSA-N 0 2 395.893 3.271 10 0 GGAELN O=C(C1CC1)N1CCc2sc(S(=O)(=O)Nc3cccc(Cl)c3)cc2C1 ZINC000065196207 564741067 /nfs/dbraw/zinc/74/10/67/564741067.db2.gz BZRVCAHWXJNTAG-UHFFFAOYSA-N 0 2 396.921 3.497 10 0 GGAELN CCc1ccc(S(=O)(=O)Nc2cc(C)nn2-c2nc(C)cc(C)n2)s1 ZINC000066247444 564759025 /nfs/dbraw/zinc/75/90/25/564759025.db2.gz QMQNYIWFYPVOMP-UHFFFAOYSA-N 0 2 377.495 3.012 10 0 GGAELN Cc1cc(F)ccc1S(=O)(=O)Nc1nc(CN2CCC[C@@H](C)C2)cs1 ZINC000066249350 564759101 /nfs/dbraw/zinc/75/91/01/564759101.db2.gz YIQVBJBSERDPJT-GFCCVEGCSA-N 0 2 383.514 3.045 10 0 GGAELN COC(=O)c1ccc(S(=O)(=O)Nc2nc3cc(F)c(F)cc3s2)cc1 ZINC000066254381 564760068 /nfs/dbraw/zinc/76/00/68/564760068.db2.gz CHOKJVPTHHIABS-UHFFFAOYSA-N 0 2 384.385 3.162 10 0 GGAELN O=C(Nc1nccs1)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1O ZINC000066637373 564772357 /nfs/dbraw/zinc/77/23/57/564772357.db2.gz DUVAKINCGSWCCK-JTQLQIEISA-N 0 2 386.260 3.399 10 0 GGAELN CCc1onc(C)c1NS(=O)(=O)c1cc(Br)ccc1OC ZINC000134762713 564814547 /nfs/dbraw/zinc/81/45/47/564814547.db2.gz GGBKTJYAPXXAEU-UHFFFAOYSA-N 0 2 375.244 3.117 10 0 GGAELN C[C@H](NC(=O)c1cc(Cl)cc(Br)c1O)c1nnc2n1CCCC2 ZINC000135897361 564841799 /nfs/dbraw/zinc/84/17/99/564841799.db2.gz ZIJVISCVKAVCHE-QMMMGPOBSA-N 0 2 399.676 3.227 10 0 GGAELN C[C@@H](NC(=O)c1cc(Cl)cc(Br)c1O)c1nnc2n1CCCC2 ZINC000135897392 564842267 /nfs/dbraw/zinc/84/22/67/564842267.db2.gz ZIJVISCVKAVCHE-MRVPVSSYSA-N 0 2 399.676 3.227 10 0 GGAELN CC(=O)c1ccc(S(=O)(=O)Nc2n[nH]c3cc(Br)ccc32)cc1 ZINC000089197635 564870270 /nfs/dbraw/zinc/87/02/70/564870270.db2.gz QBOXZOUFOSXCLB-UHFFFAOYSA-N 0 2 394.250 3.329 10 0 GGAELN Cc1coc(-c2cc(NS(=O)(=O)c3c(C)nn(C)c3Cl)ccc2C)n1 ZINC000150805062 564891778 /nfs/dbraw/zinc/89/17/78/564891778.db2.gz HXAKPBUVMDNTND-UHFFFAOYSA-N 0 2 380.857 3.455 10 0 GGAELN COC(=O)c1cc(Cl)ccc1S(=O)(=O)Nc1ccc2c(C)n[nH]c2c1 ZINC000093909414 564892568 /nfs/dbraw/zinc/89/25/68/564892568.db2.gz OJVIVXJKCIPMRS-UHFFFAOYSA-N 0 2 379.825 3.112 10 0 GGAELN COC(=O)c1cc(Cl)ccc1S(=O)(=O)Nc1ccc2c(C)[nH]nc2c1 ZINC000093909414 564892569 /nfs/dbraw/zinc/89/25/69/564892569.db2.gz OJVIVXJKCIPMRS-UHFFFAOYSA-N 0 2 379.825 3.112 10 0 GGAELN COc1ccc(Br)cc1S(=O)(=O)Nc1ccc2c(C)n[nH]c2c1 ZINC000093909350 564892954 /nfs/dbraw/zinc/89/29/54/564892954.db2.gz ABTYTTDJCWPVSA-UHFFFAOYSA-N 0 2 396.266 3.443 10 0 GGAELN COc1ccc(Br)cc1S(=O)(=O)Nc1ccc2c(C)[nH]nc2c1 ZINC000093909350 564892957 /nfs/dbraw/zinc/89/29/57/564892957.db2.gz ABTYTTDJCWPVSA-UHFFFAOYSA-N 0 2 396.266 3.443 10 0 GGAELN COCc1ccc(C(=O)Nc2nc(-c3ccc(Br)cc3)n[nH]2)o1 ZINC000102752887 564935448 /nfs/dbraw/zinc/93/54/48/564935448.db2.gz OLMCFHDRZJEZLR-UHFFFAOYSA-N 0 2 377.198 3.226 10 0 GGAELN O=S(=O)(Nc1c[nH]nc1-c1ccccn1)c1cc(Br)ccc1F ZINC000153318150 564991140 /nfs/dbraw/zinc/99/11/40/564991140.db2.gz MDPIGSLUAULXNM-UHFFFAOYSA-N 0 2 397.229 3.174 10 0 GGAELN Cc1ccc(N2CCCN(C(=O)c3ccc(Cl)c(Cl)c3O)CC2)nn1 ZINC000106918302 564992694 /nfs/dbraw/zinc/99/26/94/564992694.db2.gz XNUVHXFMCRBNGJ-UHFFFAOYSA-N 0 2 381.263 3.150 10 0 GGAELN O=C(NCCNC(=O)c1c(F)cccc1F)c1ccc(Cl)c(Cl)c1O ZINC000112727265 565065879 /nfs/dbraw/zinc/06/58/79/565065879.db2.gz OTVLEPQDNVWXNQ-UHFFFAOYSA-N 0 2 389.185 3.137 10 0 GGAELN C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)c1cc(F)c(O)c(Cl)c1 ZINC000184232945 565121185 /nfs/dbraw/zinc/12/11/85/565121185.db2.gz UKZHYEXIPGHNGD-JTQLQIEISA-N 0 2 385.844 3.421 10 0 GGAELN C[C@@H](NC(=O)c1cc(F)c(O)c(Cl)c1)c1ccccc1NS(C)(=O)=O ZINC000184262568 565124209 /nfs/dbraw/zinc/12/42/09/565124209.db2.gz POJDWEBTCUFQDV-SECBINFHSA-N 0 2 386.832 3.047 10 0 GGAELN CCN1C(=S)N=NC1C1CCN(C(=O)c2cc(F)c(O)c(Cl)c2)CC1 ZINC000184392464 565133867 /nfs/dbraw/zinc/13/38/67/565133867.db2.gz ZZQCNEOYPKYBGP-UHFFFAOYSA-N 0 2 384.864 3.105 10 0 GGAELN O=S(=O)(N[C@H](c1nccs1)C(F)(F)F)c1cccnc1C(F)(F)F ZINC000292856235 565137901 /nfs/dbraw/zinc/13/79/01/565137901.db2.gz QYWBSDASUHNQNQ-MRVPVSSYSA-N 0 2 391.318 3.139 10 0 GGAELN O=C(C[C@H]1COCCN1C(=O)c1cc(F)c(O)c(Cl)c1)c1cccs1 ZINC000184486527 565138600 /nfs/dbraw/zinc/13/86/00/565138600.db2.gz GMBWLEWYTFMCFG-NSHDSACASA-N 0 2 383.828 3.360 10 0 GGAELN Cn1cc(NS(=O)(=O)c2ccc(Br)cc2)c(-c2ccccn2)n1 ZINC000371211269 565182177 /nfs/dbraw/zinc/18/21/77/565182177.db2.gz YIXQCPJERHATRM-UHFFFAOYSA-N 0 2 393.266 3.045 10 0 GGAELN CN(C(=O)c1cc(Br)c(O)c(Br)c1)c1nncs1 ZINC000185370920 565197901 /nfs/dbraw/zinc/19/79/01/565197901.db2.gz GNAITAXQEXAEIM-UHFFFAOYSA-N 0 2 393.060 3.045 10 0 GGAELN COc1cc(C(F)(F)F)cc(S(=O)(=O)Nc2c(C)[nH]nc2C(F)F)c1 ZINC000295331878 565260183 /nfs/dbraw/zinc/26/01/83/565260183.db2.gz PDKAJZALAPBKDN-UHFFFAOYSA-N 0 2 385.314 3.484 10 0 GGAELN COc1cc(C(F)(F)F)cc(S(=O)(=O)Nc2nnc(C(F)F)s2)c1 ZINC000295426435 565265517 /nfs/dbraw/zinc/26/55/17/565265517.db2.gz YSNRLUFBCSSNFA-UHFFFAOYSA-N 0 2 389.327 3.304 10 0 GGAELN COC(=O)c1csc(S(=O)(=O)Nc2cn(C)nc2C2CCCCC2)c1 ZINC000295659837 565279569 /nfs/dbraw/zinc/27/95/69/565279569.db2.gz BPZUOZBUKIEBIA-UHFFFAOYSA-N 0 2 383.495 3.117 10 0 GGAELN Cn1nc([C@H]2CCCO2)cc1NC(=O)c1cc(Br)c(F)cc1O ZINC000296033984 565298705 /nfs/dbraw/zinc/29/87/05/565298705.db2.gz AAHIFILULGGHEF-CYBMUJFWSA-N 0 2 384.205 3.131 10 0 GGAELN CC(C)Oc1ccc(F)cc1NS(=O)(=O)c1cnn(CC(F)(F)F)c1 ZINC000186981092 565300329 /nfs/dbraw/zinc/30/03/29/565300329.db2.gz UNQWUHIBEAOHQV-UHFFFAOYSA-N 0 2 381.351 3.173 10 0 GGAELN Cc1cc(Br)cc(S(=O)(=O)Nc2c[nH]nc2-c2ccccn2)c1 ZINC000187005032 565301366 /nfs/dbraw/zinc/30/13/66/565301366.db2.gz SELKODGUNFKFPE-UHFFFAOYSA-N 0 2 393.266 3.343 10 0 GGAELN O=C(c1cc(Br)c(F)cc1O)N1CCC(O)(c2ccccc2)CC1 ZINC000296300900 565311350 /nfs/dbraw/zinc/31/13/50/565311350.db2.gz MQZDKXBVWYHLCB-UHFFFAOYSA-N 0 2 394.240 3.418 10 0 GGAELN O=S(=O)(Nc1cccc2c1OCC[C@@H]2O)c1ccc(Cl)nc1Cl ZINC000374002961 565315307 /nfs/dbraw/zinc/31/53/07/565315307.db2.gz OELHDOUXABVFHA-JTQLQIEISA-N 0 2 375.233 3.005 10 0 GGAELN C[C@H](Sc1n[nH]c(=O)[nH]1)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000187641366 565346450 /nfs/dbraw/zinc/34/64/50/565346450.db2.gz NPUCWLWXBWCGEW-LURJTMIESA-N 0 2 383.405 3.031 10 0 GGAELN COC(=O)c1ccc(S(=O)(=O)Nc2cnn([C@@H](C)C3CC3)c2)cc1Cl ZINC000187726083 565351189 /nfs/dbraw/zinc/35/11/89/565351189.db2.gz QUFSOLKAKSUEQT-JTQLQIEISA-N 0 2 383.857 3.095 10 0 GGAELN COc1ccc(Cn2ccc(NS(=O)(=O)c3cc(C)sc3C)n2)cc1 ZINC000187796005 565355781 /nfs/dbraw/zinc/35/57/81/565355781.db2.gz IYSRCVPCPLWYNQ-UHFFFAOYSA-N 0 2 377.491 3.419 10 0 GGAELN CCc1noc(C)c1NS(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F ZINC000164888013 565365928 /nfs/dbraw/zinc/36/59/28/565365928.db2.gz YSXNWOFXAKCLHO-UHFFFAOYSA-N 0 2 375.809 3.097 10 0 GGAELN Cc1cc(C2CCN(C(=O)c3cc(Br)c(F)cc3O)CC2)[nH]n1 ZINC000297529762 565375277 /nfs/dbraw/zinc/37/52/77/565375277.db2.gz PCSSBSJZDDAHIL-UHFFFAOYSA-N 0 2 382.233 3.345 10 0 GGAELN Cc1cc(C2CCN(C(=O)c3cc(Br)c(F)cc3O)CC2)n[nH]1 ZINC000297529762 565375279 /nfs/dbraw/zinc/37/52/79/565375279.db2.gz PCSSBSJZDDAHIL-UHFFFAOYSA-N 0 2 382.233 3.345 10 0 GGAELN O=S(=O)(Nc1nc2c(s1)CSCC2)c1c(Cl)nc2ccccn21 ZINC000375719629 565402293 /nfs/dbraw/zinc/40/22/93/565402293.db2.gz XFNSRYYFRMAFLM-UHFFFAOYSA-N 0 2 386.911 3.034 10 0 GGAELN CCS(=O)(=O)Nc1ncc(C2CCN(C(=O)OC(C)(C)C)CC2)s1 ZINC000375710766 565402451 /nfs/dbraw/zinc/40/24/51/565402451.db2.gz MYPQXSKEFDURDD-UHFFFAOYSA-N 0 2 375.516 3.019 10 0 GGAELN O=S(=O)(Nc1nc(C2CCOCC2)cs1)c1cccc2ncccc21 ZINC000375709405 565402819 /nfs/dbraw/zinc/40/28/19/565402819.db2.gz FLTMBFWOKWUTRI-UHFFFAOYSA-N 0 2 375.475 3.386 10 0 GGAELN O=S(=O)(Nc1ncc(-c2cncc(F)c2)cn1)c1c(F)cccc1Cl ZINC000375765148 565405153 /nfs/dbraw/zinc/40/51/53/565405153.db2.gz PGASVBOTIYPECN-UHFFFAOYSA-N 0 2 382.779 3.271 10 0 GGAELN C[C@@H](C1CC1)n1nccc1NS(=O)(=O)c1ccc(Br)s1 ZINC000171342411 565427002 /nfs/dbraw/zinc/42/70/02/565427002.db2.gz OZOCRQKGZILUQH-QMMMGPOBSA-N 0 2 376.301 3.479 10 0 GGAELN O=C(NOCc1ccc(F)cc1Br)[C@H]1CC(=O)Nc2ccccc21 ZINC000188925464 565433432 /nfs/dbraw/zinc/43/34/32/565433432.db2.gz RNTRLWUOYCJZNM-ZDUSSCGKSA-N 0 2 393.212 3.262 10 0 GGAELN CS(=O)(=O)Nc1cc(NC(=O)c2ccc(Cl)c(Cl)c2O)ccc1F ZINC000171607380 565439273 /nfs/dbraw/zinc/43/92/73/565439273.db2.gz OEMUOQUJYNAFRC-UHFFFAOYSA-N 0 2 393.223 3.462 10 0 GGAELN O=C(NCc1ccc(Cn2cncn2)cc1)c1ccc(Cl)c(Cl)c1O ZINC000171606282 565439486 /nfs/dbraw/zinc/43/94/86/565439486.db2.gz NJVCMJSUWVWKSQ-UHFFFAOYSA-N 0 2 377.231 3.269 10 0 GGAELN O=C(N[C@H]1CCS(=O)(=O)c2ccccc21)c1ccc(Cl)c(Cl)c1O ZINC000171673587 565443344 /nfs/dbraw/zinc/44/33/44/565443344.db2.gz IBVLDFGAPRNTTI-LBPRGKRZSA-N 0 2 386.256 3.348 10 0 GGAELN CC(C)c1c(NS(=O)(=O)c2c(Cl)cnn2C)cnn1-c1ccccc1 ZINC000376587760 565443497 /nfs/dbraw/zinc/44/34/97/565443497.db2.gz SFJKEKGQMPGEQL-UHFFFAOYSA-N 0 2 379.873 3.183 10 0 GGAELN COc1cc(Br)ccc1[C@@H](C)NC(=O)c1cccc2[nH]nnc21 ZINC000189143827 565446787 /nfs/dbraw/zinc/44/67/87/565446787.db2.gz BGZYPAYEVXPOQN-SECBINFHSA-N 0 2 375.226 3.220 10 0 GGAELN COC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1cc(Cl)ccc1N(C)C ZINC000171773603 565450987 /nfs/dbraw/zinc/45/09/87/565450987.db2.gz VJHXWKKJYJZCNJ-UHFFFAOYSA-N 0 2 386.857 3.203 10 0 GGAELN COC(=O)c1scc(C)c1S(=O)(=O)Nc1ncc(C(F)(F)F)s1 ZINC000276622609 565455181 /nfs/dbraw/zinc/45/51/81/565455181.db2.gz MYSBQEQHEHKINK-UHFFFAOYSA-N 0 2 386.398 3.119 10 0 GGAELN O=C1CCCN1c1ccc(S(=O)(=O)Nc2ncc(C(F)(F)F)s2)cc1 ZINC000276700574 565457398 /nfs/dbraw/zinc/45/73/98/565457398.db2.gz XIEXCBQGVLGYLU-UHFFFAOYSA-N 0 2 391.396 3.090 10 0 GGAELN CC(C)[C@@H](C)CNC(=O)Cc1ccc(NS(=O)(=O)c2cccs2)cc1 ZINC000172578738 565493079 /nfs/dbraw/zinc/49/30/79/565493079.db2.gz YPZBBTJPFVIUTL-AWEZNQCLSA-N 0 2 380.535 3.500 10 0 GGAELN O=C(c1ccc(Cl)c(Cl)c1O)N1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000189963068 565499528 /nfs/dbraw/zinc/49/95/28/565499528.db2.gz VLQYCBAZVBBJGK-UHFFFAOYSA-N 0 2 381.263 3.262 10 0 GGAELN Cc1cc(S(=O)(=O)Nc2ccc(C)c(S(C)(=O)=O)c2)sc1Cl ZINC000190333457 565522794 /nfs/dbraw/zinc/52/27/94/565522794.db2.gz IXBLVWKFUVZAEE-UHFFFAOYSA-N 0 2 379.912 3.223 10 0 GGAELN Cc1nn(C)c(Cl)c1S(=O)(=O)Nc1cc(Br)c(F)cc1C ZINC000190383278 565527972 /nfs/dbraw/zinc/52/79/72/565527972.db2.gz SSBAFESJQODVKN-UHFFFAOYSA-N 0 2 396.669 3.393 10 0 GGAELN CCc1nn(C)c(Cl)c1C[NH+]1CC[C@@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000190464362 565534495 /nfs/dbraw/zinc/53/44/95/565534495.db2.gz KUHLJJPOVOWBPB-AWEZNQCLSA-N 0 2 381.977 3.355 10 0 GGAELN COc1cc(NS(=O)(=O)c2c(Cl)cccc2Br)ccn1 ZINC000380435508 565539530 /nfs/dbraw/zinc/53/95/30/565539530.db2.gz MUYOOYAFCDWYFD-UHFFFAOYSA-N 0 2 377.647 3.307 10 0 GGAELN O=S(=O)(NCC(F)(F)C(F)F)c1c(Cl)cccc1Br ZINC000302476114 565543420 /nfs/dbraw/zinc/54/34/20/565543420.db2.gz RQAXJDSVKLAJMI-UHFFFAOYSA-N 0 2 384.576 3.281 10 0 GGAELN CCc1ccc(S(=O)(=O)Nc2nnc([C@@H]3Cc4ccccc4O3)o2)s1 ZINC000278388247 565555821 /nfs/dbraw/zinc/55/58/21/565555821.db2.gz MNVLXIIYUIXTJU-ZDUSSCGKSA-N 0 2 377.447 3.171 10 0 GGAELN COc1cc(S(=O)(=O)Nc2ccn(-c3ccccc3Cl)n2)ccc1F ZINC000190806730 565560885 /nfs/dbraw/zinc/56/08/85/565560885.db2.gz BJGNFIRRSJVWSN-UHFFFAOYSA-N 0 2 381.816 3.474 10 0 GGAELN Cn1ccc2cccc(NS(=O)(=O)c3cc4c(cc3Cl)OCCO4)c21 ZINC000190853711 565564861 /nfs/dbraw/zinc/56/48/61/565564861.db2.gz UHXUCEIZSWMNGY-UHFFFAOYSA-N 0 2 378.837 3.404 10 0 GGAELN NC(=O)c1c(Cl)cccc1NS(=O)(=O)N1CCC2(CCCCC2)CC1 ZINC000408337946 565604157 /nfs/dbraw/zinc/60/41/57/565604157.db2.gz FOQTVJGDAVUUJU-UHFFFAOYSA-N 0 2 385.917 3.142 10 0 GGAELN COC(=O)Cc1ccc(S(=O)(=O)Nc2nc3ccc(Cl)cc3s2)cc1 ZINC000326914316 565627284 /nfs/dbraw/zinc/62/72/84/565627284.db2.gz GUHQNVRCMZDBJA-UHFFFAOYSA-N 0 2 396.877 3.466 10 0 GGAELN CCOC(=O)c1csc(CCNC(=O)c2ccc(Cl)c(Cl)c2O)n1 ZINC000191776525 565630519 /nfs/dbraw/zinc/63/05/19/565630519.db2.gz GXCUVKJOVBXOJN-UHFFFAOYSA-N 0 2 389.260 3.305 10 0 GGAELN COc1ccc(Br)cc1S(=O)(=O)Nc1cnc(C(C)C)nc1 ZINC000279869849 565637777 /nfs/dbraw/zinc/63/77/77/565637777.db2.gz LQMNVZUGINWXOI-UHFFFAOYSA-N 0 2 386.271 3.172 10 0 GGAELN O=C(COc1ccsc1)N=c1ccc(-c2ccc(Br)s2)n[nH]1 ZINC000409943261 565651180 /nfs/dbraw/zinc/65/11/80/565651180.db2.gz LBGJIBBSOOXFDE-UHFFFAOYSA-N 0 2 396.291 3.469 10 0 GGAELN Cc1nsc(N2CCCN(C(=O)c3ccc(Cl)c(Cl)c3O)CC2)n1 ZINC000174730680 565654885 /nfs/dbraw/zinc/65/48/85/565654885.db2.gz WPRHPMPCWNQPGV-UHFFFAOYSA-N 0 2 387.292 3.211 10 0 GGAELN C[C@H](C1CC1)n1nccc1NC(=O)C(=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000192081030 565657009 /nfs/dbraw/zinc/65/70/09/565657009.db2.gz OSIKXNDOYXRXGA-MRVPVSSYSA-N 0 2 383.235 3.444 10 0 GGAELN COc1cncc(S(=O)(=O)Nc2cc(Cl)ccc2OCC(F)(F)F)c1 ZINC000410360632 565679515 /nfs/dbraw/zinc/67/95/15/565679515.db2.gz ADBRCCZSKNPDPV-UHFFFAOYSA-N 0 2 396.774 3.486 10 0 GGAELN O=C1CCN1c1ccc(NS(=O)(=O)c2cc(Br)ccc2F)cc1 ZINC000410417285 565684707 /nfs/dbraw/zinc/68/47/07/565684707.db2.gz JSJXGSWJQVFFKD-UHFFFAOYSA-N 0 2 399.241 3.126 10 0 GGAELN Cc1ccsc1-c1nc(=NC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)s[nH]1 ZINC000329967772 565687386 /nfs/dbraw/zinc/68/73/86/565687386.db2.gz SSWCLRXRNVTHJT-SJCJKPOMSA-N 0 2 378.523 3.156 10 0 GGAELN Cc1ccsc1-c1nc(=NC(=O)C(=O)NCCCC2CCCC2)s[nH]1 ZINC000411142838 565714019 /nfs/dbraw/zinc/71/40/19/565714019.db2.gz HGHLSYXDLINJJM-UHFFFAOYSA-N 0 2 378.523 3.022 10 0 GGAELN Cc1ccsc1-c1nc(=NC(=O)C(=O)N(C)C2CCCCCC2)s[nH]1 ZINC000411166625 565715582 /nfs/dbraw/zinc/71/55/82/565715582.db2.gz VONQWJFYIYCUDY-UHFFFAOYSA-N 0 2 378.523 3.117 10 0 GGAELN Cc1ccsc1-c1nc(=NC(=O)C(=O)N(CC(C)C)CC(C)C)s[nH]1 ZINC000411160471 565715638 /nfs/dbraw/zinc/71/56/38/565715638.db2.gz XGYCBHCDDWGBTN-UHFFFAOYSA-N 0 2 380.539 3.076 10 0 GGAELN CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)N=c1nc(-c2sccc2C)[nH]s1 ZINC000411145520 565715750 /nfs/dbraw/zinc/71/57/50/565715750.db2.gz CIQVDEYJGSFWAO-VXGBXAGGSA-N 0 2 378.523 3.020 10 0 GGAELN CCC(CC)CN(CC)C(=O)C(=O)N=c1nc(-c2sccc2C)[nH]s1 ZINC000411172482 565717270 /nfs/dbraw/zinc/71/72/70/565717270.db2.gz HSPDVHOIDZDSQS-UHFFFAOYSA-N 0 2 380.539 3.220 10 0 GGAELN COc1ccc([C@H](C)NS(=O)(=O)c2c(F)c(F)cc(F)c2F)cc1F ZINC000192887121 565717311 /nfs/dbraw/zinc/71/73/11/565717311.db2.gz KNIUVWLOQLVNDY-ZETCQYMHSA-N 0 2 381.322 3.430 10 0 GGAELN COC(=O)c1sc(S(=O)(=O)Nc2cn(C)nc2C(C)C)c(C)c1Cl ZINC000281228430 565719154 /nfs/dbraw/zinc/71/91/54/565719154.db2.gz UNGRNBGITFZNLY-UHFFFAOYSA-N 0 2 391.902 3.154 10 0 GGAELN Cc1ccsc1-c1nc(=NC(=O)C(=O)N[C@@H](C)C2CCCCC2)s[nH]1 ZINC000411268596 565721172 /nfs/dbraw/zinc/72/11/72/565721172.db2.gz DOLYREUSIBEMIH-NSHDSACASA-N 0 2 378.523 3.020 10 0 GGAELN Cc1ccsc1-c1nc(=NC(=O)C(=O)N[C@H](C)C2CCCCC2)s[nH]1 ZINC000411268594 565721612 /nfs/dbraw/zinc/72/16/12/565721612.db2.gz DOLYREUSIBEMIH-LLVKDONJSA-N 0 2 378.523 3.020 10 0 GGAELN CCCC1(CNC(=O)C(=O)N=c2nc(-c3sccc3C)[nH]s2)CCC1 ZINC000411307927 565724267 /nfs/dbraw/zinc/72/42/67/565724267.db2.gz YNSGNLHXAXPWLU-UHFFFAOYSA-N 0 2 378.523 3.022 10 0 GGAELN Cc1ccsc1-c1nc(=NC(=O)C(=O)N[C@H]2CCCC(C)(C)C2)s[nH]1 ZINC000411444794 565729670 /nfs/dbraw/zinc/72/96/70/565729670.db2.gz NLATUSRNSLHFHW-NSHDSACASA-N 0 2 378.523 3.020 10 0 GGAELN O=C(CCCc1ccccc1Br)N1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000412323341 565781127 /nfs/dbraw/zinc/78/11/27/565781127.db2.gz IVEVPRJIYOJVKY-ZDUSSCGKSA-N 0 2 393.285 3.002 10 0 GGAELN CN(C)c1noc(C2CCN(C(=O)c3ccc(Cl)c(Cl)c3O)CC2)n1 ZINC000193966541 565786128 /nfs/dbraw/zinc/78/61/28/565786128.db2.gz SGCPCJIJRHLHBM-UHFFFAOYSA-N 0 2 385.251 3.168 10 0 GGAELN O=C(Nc1nnc(C(F)(F)F)s1)C1=NN(c2ccc(Cl)cc2)CC1=O ZINC000177035865 565824401 /nfs/dbraw/zinc/82/44/01/565824401.db2.gz BQOSGXZOMBLHQM-UHFFFAOYSA-N 0 2 389.746 3.354 10 0 GGAELN O=S(=O)(Nc1nnc(Cc2ccc(F)cc2)o1)c1c(F)cccc1Cl ZINC000194808110 565839984 /nfs/dbraw/zinc/83/99/84/565839984.db2.gz GTJDYTVYHQIXHC-UHFFFAOYSA-N 0 2 385.779 3.393 10 0 GGAELN COc1ccccc1-c1nnc(NS(=O)(=O)c2c(F)cccc2Cl)o1 ZINC000194912495 565847237 /nfs/dbraw/zinc/84/72/37/565847237.db2.gz GMXHDDVORCCDCD-UHFFFAOYSA-N 0 2 383.788 3.339 10 0 GGAELN CC[C@@H](CS(=O)(=O)c1ccccc1)NC(=O)c1cc(F)c(O)c(Cl)c1 ZINC000194947779 565849796 /nfs/dbraw/zinc/84/97/96/565849796.db2.gz VEUFHERLBWEZEP-LBPRGKRZSA-N 0 2 385.844 3.167 10 0 GGAELN CC(C)Oc1ccc(NS(=O)(=O)c2ccc(F)cc2C(F)(F)F)nn1 ZINC000194983536 565851801 /nfs/dbraw/zinc/85/18/01/565851801.db2.gz XXDOXLBHTUULQV-UHFFFAOYSA-N 0 2 379.335 3.223 10 0 GGAELN Cc1ccc(S(=O)(=O)Nc2ccc(OC(C)C)nn2)cc1C(F)(F)F ZINC000194983253 565851951 /nfs/dbraw/zinc/85/19/51/565851951.db2.gz GJMDZBKFRDVMGL-UHFFFAOYSA-N 0 2 375.372 3.392 10 0 GGAELN Cc1cc(S(=O)(=O)Nc2ccc(OC(C)C)nn2)ccc1Br ZINC000194984422 565852289 /nfs/dbraw/zinc/85/22/89/565852289.db2.gz WPEHEDHTEQUFBK-UHFFFAOYSA-N 0 2 386.271 3.136 10 0 GGAELN CC(C)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(C(=O)N(C)C)cn2)c1 ZINC000284872865 565875638 /nfs/dbraw/zinc/87/56/38/565875638.db2.gz IZLIAYNXXGPPPQ-UHFFFAOYSA-N 0 2 381.885 3.361 10 0 GGAELN CC1(C)CCCN1C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000178079458 565895188 /nfs/dbraw/zinc/89/51/88/565895188.db2.gz UGOKXGFEIWUIMD-UHFFFAOYSA-N 0 2 380.495 3.350 10 0 GGAELN CCCOC(=O)c1cncc(NS(=O)(=O)c2cc(Cl)ccc2OC)c1 ZINC000221576283 565903901 /nfs/dbraw/zinc/90/39/01/565903901.db2.gz BYEBPUVHPWEMLH-UHFFFAOYSA-N 0 2 384.841 3.111 10 0 GGAELN COC(C)(C)CS(=O)(=O)Nc1cc(Cl)ccc1OCC(F)(F)F ZINC000414374255 565916905 /nfs/dbraw/zinc/91/69/05/565916905.db2.gz UNLJNJZIYKJPLI-UHFFFAOYSA-N 0 2 375.796 3.448 10 0 GGAELN Cc1cc(F)ccc1S(=O)(=O)Nc1ncn(Cc2ccc(Cl)cc2)n1 ZINC000178420855 565918534 /nfs/dbraw/zinc/91/85/34/565918534.db2.gz FZVSNWCDKLWWDV-UHFFFAOYSA-N 0 2 380.832 3.228 10 0 GGAELN CCCn1nccc1NS(=O)(=O)c1cc(C)c(Br)cc1F ZINC000414381790 565919504 /nfs/dbraw/zinc/91/95/04/565919504.db2.gz NDUADFUOSZMWMD-UHFFFAOYSA-N 0 2 376.251 3.304 10 0 GGAELN O=S(=O)(Nc1ccc(F)cc1N1CCOCC1)c1sccc1Cl ZINC000414395902 565923422 /nfs/dbraw/zinc/92/34/22/565923422.db2.gz NNTWFQLLOFKNRR-UHFFFAOYSA-N 0 2 376.862 3.178 10 0 GGAELN COC(=O)c1ccc(S(=O)(=O)Nc2nc3c(s2)CCCC3)cc1Cl ZINC000178592274 565928019 /nfs/dbraw/zinc/92/80/19/565928019.db2.gz FERZOSUTDYULCR-UHFFFAOYSA-N 0 2 386.882 3.263 10 0 GGAELN CCc1nc(NS(=O)(=O)c2cc(C(=O)NC)cc(Cl)c2C)sc1C ZINC000414437845 565931899 /nfs/dbraw/zinc/93/18/99/565931899.db2.gz IFEBPGRINUOVBT-UHFFFAOYSA-N 0 2 387.914 3.136 10 0 GGAELN COc1cc(S(=O)(=O)Nc2cc(C)nn2C2CCOCC2)ccc1Cl ZINC000414446526 565933229 /nfs/dbraw/zinc/93/32/29/565933229.db2.gz UZLJYMISZHYUQP-UHFFFAOYSA-N 0 2 385.873 3.006 10 0 GGAELN CCc1nc(NS(=O)(=O)c2scnc2C(=O)OC)sc1C(C)(C)C ZINC000414469915 565939075 /nfs/dbraw/zinc/93/90/75/565939075.db2.gz KJQHUMNISQJDSP-UHFFFAOYSA-N 0 2 389.524 3.047 10 0 GGAELN O=S(=O)(Nc1nccs1)c1ccc(-c2nc(-c3cncs3)no2)cc1 ZINC000350921319 565944108 /nfs/dbraw/zinc/94/41/08/565944108.db2.gz KEYYCIVDFJVBHF-UHFFFAOYSA-N 0 2 391.459 3.117 10 0 GGAELN COC(=O)c1cncc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)c1 ZINC000179091185 565957986 /nfs/dbraw/zinc/95/79/86/565957986.db2.gz HJWNIBFFDUDSOR-UHFFFAOYSA-N 0 2 394.758 3.341 10 0 GGAELN CS(=O)(=O)Nc1ccccc1NC(=O)c1ccc(Cl)c(Cl)c1O ZINC000179364797 565976557 /nfs/dbraw/zinc/97/65/57/565976557.db2.gz TWUVUMFVPNPHTL-UHFFFAOYSA-N 0 2 375.233 3.323 10 0 GGAELN O=S(=O)(Nc1ccc(C(F)(F)F)nc1)c1cc2c(cc1Cl)OCCO2 ZINC000179546845 565987887 /nfs/dbraw/zinc/98/78/87/565987887.db2.gz TYOUKDARCSKJDT-UHFFFAOYSA-N 0 2 394.758 3.326 10 0 GGAELN CC(C)[C@H](C)NC(=O)[C@H]1CSCN1C(=O)c1ccc(Cl)c(Cl)c1O ZINC000179570774 565990171 /nfs/dbraw/zinc/99/01/71/565990171.db2.gz HHRWQTUSNZQXIN-JOYOIKCWSA-N 0 2 391.320 3.375 10 0 GGAELN CN(C(=O)c1ccc(Cl)c(Cl)c1O)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000179608624 565992559 /nfs/dbraw/zinc/99/25/59/565992559.db2.gz FLMPNWYTSDJOAG-NWDGAFQWSA-N 0 2 380.293 3.127 10 0 GGAELN CS(=O)(=O)C[C@@H](NC(=O)c1ccc(Cl)c(Cl)c1O)c1ccccc1 ZINC000179712209 566002644 /nfs/dbraw/zinc/00/26/44/566002644.db2.gz IGVMHHDCGGBILY-CYBMUJFWSA-N 0 2 388.272 3.215 10 0 GGAELN CS(=O)(=O)C[C@H](NC(=O)c1ccc(Cl)c(Cl)c1O)c1ccccc1 ZINC000179712196 566002870 /nfs/dbraw/zinc/00/28/70/566002870.db2.gz IGVMHHDCGGBILY-ZDUSSCGKSA-N 0 2 388.272 3.215 10 0 GGAELN O=S(=O)(Nc1c[nH]nc1-c1ccccn1)c1ccc(Br)cc1 ZINC000179832497 566012095 /nfs/dbraw/zinc/01/20/95/566012095.db2.gz OUAZBQYDXBBUIR-UHFFFAOYSA-N 0 2 379.239 3.035 10 0 GGAELN CO[C@H](C)c1nc(CNC(=O)N=c2nc(-c3ccsc3)[nH]s2)cs1 ZINC000363932012 566026905 /nfs/dbraw/zinc/02/69/05/566026905.db2.gz PKSKRHBRLYPPPE-MRVPVSSYSA-N 0 2 381.508 3.174 10 0 GGAELN O=C(N=c1nc(-c2ccsc2)[nH]s1)NCc1nc(C(F)(F)F)cs1 ZINC000363941804 566027381 /nfs/dbraw/zinc/02/73/81/566027381.db2.gz YEWNNHLJHVBHOF-UHFFFAOYSA-N 0 2 391.425 3.486 10 0 GGAELN Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000246936810 566047132 /nfs/dbraw/zinc/04/71/32/566047132.db2.gz HJDAQPBIPPDKAB-HZPDHXFCSA-N 0 2 384.307 3.403 10 0 GGAELN Cc1n[nH]cc1-c1nnc(NS(=O)(=O)c2cccc(Cl)c2Cl)s1 ZINC000364557292 566057388 /nfs/dbraw/zinc/05/73/88/566057388.db2.gz DPVLVWPQHRWHJZ-UHFFFAOYSA-N 0 2 390.277 3.344 10 0 GGAELN Cc1[nH]nc2cc(NS(=O)(=O)c3cc4c(cc3Cl)OCCO4)ccc12 ZINC000180356020 566057374 /nfs/dbraw/zinc/05/73/74/566057374.db2.gz VEIYGOVLKBFPFU-UHFFFAOYSA-N 0 2 379.825 3.097 10 0 GGAELN Cc1n[nH]cc1-c1nnc(NS(=O)(=O)c2ccccc2C(F)(F)F)s1 ZINC000364561011 566057731 /nfs/dbraw/zinc/05/77/31/566057731.db2.gz PABYEWKWENNJRJ-UHFFFAOYSA-N 0 2 389.384 3.056 10 0 GGAELN COC(=O)c1c2c(sc1NS(=O)(=O)c1cc(C)sc1C)COCC2 ZINC000416422557 566067369 /nfs/dbraw/zinc/06/73/69/566067369.db2.gz MROBJNBEPRALQQ-UHFFFAOYSA-N 0 2 387.504 3.087 10 0 GGAELN Cc1ccc([C@@H]2COCCN2C(=O)N=c2nc(-c3ccsc3)[nH]s2)o1 ZINC000365562277 566108833 /nfs/dbraw/zinc/10/88/33/566108833.db2.gz NOBYAMKTWOGNMN-LBPRGKRZSA-N 0 2 376.463 3.195 10 0 GGAELN CC(C)(C)n1cnc(=NC(=O)NCc2cccc(Br)c2Cl)[nH]1 ZINC000416980715 566118380 /nfs/dbraw/zinc/11/83/80/566118380.db2.gz JUEWINWGKCIQAS-UHFFFAOYSA-N 0 2 386.681 3.193 10 0 GGAELN COc1ccc2c(c1)CCC[C@@]2([NH2+]Cc1ncc(CSC)s1)C(=O)[O-] ZINC000417577162 566162939 /nfs/dbraw/zinc/16/29/39/566162939.db2.gz IUCKNMPMYSFQFU-SFHVURJKSA-N 0 2 378.519 3.421 10 0 GGAELN Cc1ccc(Br)c(S(=O)(=O)Nc2cccc3c2OCC[C@H]3O)c1 ZINC000367145467 566188002 /nfs/dbraw/zinc/18/80/02/566188002.db2.gz RUPGLLPVFXRWQU-CQSZACIVSA-N 0 2 398.278 3.374 10 0 GGAELN CO[C@H](C)c1nsc(NC2CCN(c3nc4ccccc4s3)CC2)n1 ZINC000367165057 566188308 /nfs/dbraw/zinc/18/83/08/566188308.db2.gz LNXBWGWBMSXFSV-LLVKDONJSA-N 0 2 375.523 3.358 10 0 GGAELN O=S(=O)(Nc1nnc(-c2ccsc2)s1)c1cccnc1C(F)(F)F ZINC000367295412 566194575 /nfs/dbraw/zinc/19/45/75/566194575.db2.gz PWWQPHUSEZVYTO-UHFFFAOYSA-N 0 2 392.409 3.481 10 0 GGAELN O=C(c1ccc(Cl)c(Cl)c1O)N1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000264462644 566215635 /nfs/dbraw/zinc/21/56/35/566215635.db2.gz VNNDAPOQBHMBQL-SNVBAGLBSA-N 0 2 381.263 3.257 10 0 GGAELN CNC(=O)c1ccc(S(=O)(=O)Nc2ccc3cccc(Cl)c3n2)cc1 ZINC000182964196 566232867 /nfs/dbraw/zinc/23/28/67/566232867.db2.gz QAOSUBNDEDCJOM-UHFFFAOYSA-N 0 2 375.837 3.049 10 0 GGAELN Cc1ccc(S(=O)(=O)Nc2cccc3c2OCC[C@@H]3O)c(Br)c1 ZINC000368500790 566240653 /nfs/dbraw/zinc/24/06/53/566240653.db2.gz DZVLVCAKRQVJAL-AWEZNQCLSA-N 0 2 398.278 3.374 10 0 GGAELN O=S(=O)(Nc1ccc2[nH]nnc2c1)c1c(Cl)cccc1Br ZINC000509082907 566261095 /nfs/dbraw/zinc/26/10/95/566261095.db2.gz NOASNFDHHGWLSL-UHFFFAOYSA-N 0 2 387.646 3.175 10 0 GGAELN O=S(=O)(Nc1ccc2n[nH]nc2c1)c1c(Cl)cccc1Br ZINC000509082907 566261101 /nfs/dbraw/zinc/26/11/01/566261101.db2.gz NOASNFDHHGWLSL-UHFFFAOYSA-N 0 2 387.646 3.175 10 0 GGAELN CCOc1c(Br)cc(Cl)cc1NS(=O)(=O)C[C@H](C)OC ZINC000509098201 566263349 /nfs/dbraw/zinc/26/33/49/566263349.db2.gz JUXPZIGQJXYONR-QMMMGPOBSA-N 0 2 386.695 3.278 10 0 GGAELN CCc1[nH]nc(C(=O)N(CC)[C@@H](COC)Cc2ccccc2)c1Br ZINC000556061644 566268880 /nfs/dbraw/zinc/26/88/80/566268880.db2.gz CGTJDBXCWPAPBG-CQSZACIVSA-N 0 2 394.313 3.454 10 0 GGAELN COc1c(C)cc(C)cc1S(=O)(=O)Nc1nc(-c2ccc(C)s2)ns1 ZINC000509208962 566275789 /nfs/dbraw/zinc/27/57/89/566275789.db2.gz GORGQHRPCUYUHC-UHFFFAOYSA-N 0 2 395.531 3.423 10 0 GGAELN CCOC(=O)c1sc(NS(=O)(=O)c2cc(C)cc(C)c2OC)nc1C ZINC000509207620 566276479 /nfs/dbraw/zinc/27/64/79/566276479.db2.gz BUDASSPMHMJGNC-UHFFFAOYSA-N 0 2 384.479 3.054 10 0 GGAELN O=C(Nc1ccccc1)[C@H]1CSCN1C(=O)c1cc(F)c(O)c(Cl)c1 ZINC000445256934 566277818 /nfs/dbraw/zinc/27/78/18/566277818.db2.gz DUCGAXUMPDXWAO-CQSZACIVSA-N 0 2 380.828 3.339 10 0 GGAELN COCCn1cc(S(=O)(=O)Nc2c(C)cc(Cl)c3ccccc32)cn1 ZINC000462357505 566290698 /nfs/dbraw/zinc/29/06/98/566290698.db2.gz IFYRSXZWNMQEIA-UHFFFAOYSA-N 0 2 379.869 3.445 10 0 GGAELN O=C(c1cc(Cl)c[nH]1)N1CCC(Nc2nc(C3CCCC3)ns2)CC1 ZINC000420628161 566291050 /nfs/dbraw/zinc/29/10/50/566291050.db2.gz OXSRKIOJWYQWDC-UHFFFAOYSA-N 0 2 379.917 3.316 10 0 GGAELN O=C1Cc2cc(S(=O)(=O)Nc3cc(Cl)c(Cl)cn3)cc3c2N1CCC3 ZINC000462375771 566292362 /nfs/dbraw/zinc/29/23/62/566292362.db2.gz GWCIWGXJTOLGPF-UHFFFAOYSA-N 0 2 398.271 3.025 10 0 GGAELN COc1ccc(OC)c(S(=O)(=O)Nc2ccc(C(F)(F)F)nc2C)c1 ZINC000509374854 566294846 /nfs/dbraw/zinc/29/48/46/566294846.db2.gz IEJLCLBYDHPAFG-UHFFFAOYSA-N 0 2 376.356 3.227 10 0 GGAELN CO[C@@H](C)CS(=O)(=O)Nc1cc(C)n(-c2ccc(Cl)c(Cl)c2)n1 ZINC000509372610 566294938 /nfs/dbraw/zinc/29/49/38/566294938.db2.gz AQTQYIOABXADGN-JTQLQIEISA-N 0 2 378.281 3.264 10 0 GGAELN COC(=O)c1ccc(S(=O)(=O)Nc2ccc(C)c3c[nH]nc32)c(Cl)c1 ZINC000509611908 566320611 /nfs/dbraw/zinc/32/06/11/566320611.db2.gz VKNJUDOIRJLJOI-UHFFFAOYSA-N 0 2 379.825 3.112 10 0 GGAELN CO[C@@H](C)c1nsc(NCCC(=O)Nc2ccc(Br)cc2C)n1 ZINC000509656168 566325658 /nfs/dbraw/zinc/32/56/58/566325658.db2.gz UIDGWWQKQDWENZ-JTQLQIEISA-N 0 2 399.314 3.179 10 0 GGAELN CO[C@H](C)c1nsc(NC[C@@H]2CCN(c3cccc(Br)c3)C2)n1 ZINC000509681879 566327998 /nfs/dbraw/zinc/32/79/98/566327998.db2.gz WDCGCORBKZTNHV-NEPJUHHUSA-N 0 2 397.342 3.368 10 0 GGAELN CO[C@H](C)c1nsc(NC[C@H]2CCN(c3cccc(Br)c3)C2)n1 ZINC000509681891 566328371 /nfs/dbraw/zinc/32/83/71/566328371.db2.gz WDCGCORBKZTNHV-VXGBXAGGSA-N 0 2 397.342 3.368 10 0 GGAELN CO[C@@H](C)c1nsc(NC[C@@H]2CCN(c3ccc(Br)cc3)C2)n1 ZINC000509683591 566329926 /nfs/dbraw/zinc/32/99/26/566329926.db2.gz TYYGYEPYECUMIH-RYUDHWBXSA-N 0 2 397.342 3.368 10 0 GGAELN C[C@H]1CN(C(=O)c2cc(Br)c(F)cc2O)C[C@H](C(F)(F)F)O1 ZINC000649027463 566339486 /nfs/dbraw/zinc/33/94/86/566339486.db2.gz LNCBJJJLBLYBLV-UPONEAKYSA-N 0 2 386.139 3.086 10 0 GGAELN O=C(N=c1nc(-c2cccnc2)[nH]s1)c1ccc(F)c(Br)c1 ZINC000535934066 566340476 /nfs/dbraw/zinc/34/04/76/566340476.db2.gz BTNZYUSDYDXEFK-UHFFFAOYSA-N 0 2 379.214 3.176 10 0 GGAELN CCOC(=O)[C@@H](CCOC(C)(C)C)NC(=O)c1cc(F)c(O)c(Cl)c1 ZINC000446302069 566340984 /nfs/dbraw/zinc/34/09/84/566340984.db2.gz IDAYBDBJMUKYHE-CYBMUJFWSA-N 0 2 375.824 3.051 10 0 GGAELN O=C(N[C@@H]1CC[C@H]2C[C@H]2C1)c1cccc(NS(=O)(=O)c2cccs2)c1 ZINC000649168868 566349803 /nfs/dbraw/zinc/34/98/03/566349803.db2.gz JOCDWWWDOBOCAJ-AEGPPILISA-N 0 2 376.503 3.467 10 0 GGAELN Cc1ccsc1-c1nc(=NC(=O)NC[C@]2(O)CCCC(C)(C)C2)s[nH]1 ZINC000446489227 566351831 /nfs/dbraw/zinc/35/18/31/566351831.db2.gz WEHTYTXKSMNNJI-KRWDZBQOSA-N 0 2 380.539 3.450 10 0 GGAELN Cc1ccsc1-c1nc(=NC(=O)NC[C@@]2(O)CCCC(C)(C)C2)s[nH]1 ZINC000446489228 566352827 /nfs/dbraw/zinc/35/28/27/566352827.db2.gz WEHTYTXKSMNNJI-QGZVFWFLSA-N 0 2 380.539 3.450 10 0 GGAELN COC(=O)c1scc(C)c1NS(=O)(=O)C[C@H](OC)c1ccc(F)cc1 ZINC000600655569 566355350 /nfs/dbraw/zinc/35/53/50/566355350.db2.gz RLENHLQHYNVSLE-ZDUSSCGKSA-N 0 2 387.454 3.112 10 0 GGAELN CCn1nc(C)cc1NS(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC ZINC000600670462 566357288 /nfs/dbraw/zinc/35/72/88/566357288.db2.gz VZIBQZREDGIXST-UHFFFAOYSA-N 0 2 392.264 3.106 10 0 GGAELN COC(=O)c1nc(NS(=O)(=O)c2ccc(C)c(F)c2F)sc1C1CC1 ZINC000600667229 566357308 /nfs/dbraw/zinc/35/73/08/566357308.db2.gz XAWHZOBHPUPGAU-UHFFFAOYSA-N 0 2 388.417 3.195 10 0 GGAELN CC[C@@H](c1ccc(Br)cc1)[NH+]1CCN(C(=O)C(C)(C)C(=O)[O-])CC1 ZINC000649465027 566366002 /nfs/dbraw/zinc/36/60/02/566366002.db2.gz IBLPXPUOMRPFAE-HNNXBMFYSA-N 0 2 397.313 3.155 10 0 GGAELN COc1cccc(F)c1[C@H](C)NS(=O)(=O)c1c(F)c(F)cc(F)c1F ZINC000510286725 566374170 /nfs/dbraw/zinc/37/41/70/566374170.db2.gz MOYFFYYWXIGFEZ-ZETCQYMHSA-N 0 2 381.322 3.430 10 0 GGAELN CCOc1c(Br)cc(Cl)cc1NS(=O)(=O)c1ccnn1C ZINC000536461138 566374345 /nfs/dbraw/zinc/37/43/45/566374345.db2.gz VEHWJCCGDKGBIU-UHFFFAOYSA-N 0 2 394.678 3.036 10 0 GGAELN COc1cccc(F)c1[C@@H](C)NS(=O)(=O)c1c(F)c(F)cc(F)c1F ZINC000510286724 566374498 /nfs/dbraw/zinc/37/44/98/566374498.db2.gz MOYFFYYWXIGFEZ-SSDOTTSWSA-N 0 2 381.322 3.430 10 0 GGAELN CCc1ccc2nc(NS(=O)(=O)c3cc(C(=O)OC)c(C)o3)sc2c1 ZINC000536460684 566374794 /nfs/dbraw/zinc/37/47/94/566374794.db2.gz YNZRJFLQMGRPPS-UHFFFAOYSA-N 0 2 380.447 3.348 10 0 GGAELN COc1ccc(S(=O)(=O)Nc2nnc(CC(C)C)s2)c2ncccc12 ZINC000649583048 566374924 /nfs/dbraw/zinc/37/49/24/566374924.db2.gz BVWXPEWOOKCPFS-UHFFFAOYSA-N 0 2 378.479 3.094 10 0 GGAELN CCc1ccc2nc(NS(=O)(=O)c3cccc4c3OCCO4)sc2c1 ZINC000536458160 566374955 /nfs/dbraw/zinc/37/49/55/566374955.db2.gz DWXNHSLNIONCGF-UHFFFAOYSA-N 0 2 376.459 3.431 10 0 GGAELN COc1ccc(S(=O)(=O)Nc2nc3c(s2)CCCC3)c2ncccc12 ZINC000649573252 566375477 /nfs/dbraw/zinc/37/54/77/566375477.db2.gz CPUGMNCNBSKWML-UHFFFAOYSA-N 0 2 375.475 3.380 10 0 GGAELN Cc1ccc(Br)c(S(=O)(=O)Nc2cnc(CC3CC3)nc2)c1 ZINC000557345886 566377195 /nfs/dbraw/zinc/37/71/95/566377195.db2.gz UYRLRTCANYSYHQ-UHFFFAOYSA-N 0 2 382.283 3.301 10 0 GGAELN O=S(=O)(Nc1cccc(C2CC2)n1)c1cc(Br)cc2c1OCC2 ZINC000649626500 566378971 /nfs/dbraw/zinc/37/89/71/566378971.db2.gz SRBCYAMOOZUAPS-UHFFFAOYSA-N 0 2 395.278 3.457 10 0 GGAELN COc1cc(C(F)(F)F)cc(S(=O)(=O)Nc2cnn(CC3CC3)c2)c1 ZINC000649613795 566379015 /nfs/dbraw/zinc/37/90/15/566379015.db2.gz DFBWMTDQNWHXBW-UHFFFAOYSA-N 0 2 375.372 3.121 10 0 GGAELN Cc1cc(S(=O)(=O)Nc2cc([C@H]3CCCOC3)nn2C)c(Cl)cc1F ZINC000576818176 566381859 /nfs/dbraw/zinc/38/18/59/566381859.db2.gz PXYJUHLDDRHHLC-NSHDSACASA-N 0 2 387.864 3.216 10 0 GGAELN O=C(NC[C@H](CO)c1ccccc1)c1cc(Cl)cc(Br)c1O ZINC000447091536 566386674 /nfs/dbraw/zinc/38/66/74/566386674.db2.gz SOTIELNMNWGASV-LLVKDONJSA-N 0 2 384.657 3.314 10 0 GGAELN O=C([O-])c1csc(C[NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)n1 ZINC000671161627 566403024 /nfs/dbraw/zinc/40/30/24/566403024.db2.gz FJRUVUKSZULUAO-UHFFFAOYSA-N 0 2 393.266 3.079 10 0 GGAELN COCn1nc(C)c(S(=O)(=O)Nc2ccc(OC(F)F)c(Cl)c2)c1C ZINC000463370742 566404187 /nfs/dbraw/zinc/40/41/87/566404187.db2.gz XKAOLMOVGDNRKX-UHFFFAOYSA-N 0 2 395.815 3.159 10 0 GGAELN COCn1nc(C)c(S(=O)(=O)Nc2ccc(C)c(C(F)(F)F)c2)c1C ZINC000463373977 566405613 /nfs/dbraw/zinc/40/56/13/566405613.db2.gz DVUNPWMRKPYODZ-UHFFFAOYSA-N 0 2 377.388 3.232 10 0 GGAELN Cc1ccsc1[C@H](CO)NC(=O)C1=NN(c2ccc(Cl)cc2)CC1=O ZINC000447547312 566416225 /nfs/dbraw/zinc/41/62/25/566416225.db2.gz BKXAQTUNFYCSRK-ZDUSSCGKSA-N 0 2 377.853 3.065 10 0 GGAELN COc1cccc(-c2nc(=NC(=O)N3CC[C@H]4CC[C@@H](C3)S4)s[nH]2)c1 ZINC000626485392 566416539 /nfs/dbraw/zinc/41/65/39/566416539.db2.gz TZXURANNPCRVCG-KGLIPLIRSA-N 0 2 376.507 3.137 10 0 GGAELN COC(=O)[C@H]1CCc2sc(NC(=O)c3cc(F)c(O)c(Cl)c3)nc2C1 ZINC000421959156 566421224 /nfs/dbraw/zinc/42/12/24/566421224.db2.gz IREBOUISINBRML-ZETCQYMHSA-N 0 2 384.816 3.171 10 0 GGAELN O=C(N=c1nc2n([nH]1)CCCC2)NCC/C=C\c1ccc(Br)cc1 ZINC000626583000 566426134 /nfs/dbraw/zinc/42/61/34/566426134.db2.gz DHKJFMLGZQAUIO-KTAJNNJTSA-N 0 2 390.285 3.024 10 0 GGAELN COc1ccc(O)c(S(=O)(=O)Nc2cccc(OCC(F)(F)F)c2)c1 ZINC000537196175 566430481 /nfs/dbraw/zinc/43/04/81/566430481.db2.gz YLONJAHZXCDFMF-UHFFFAOYSA-N 0 2 377.340 3.143 10 0 GGAELN COC1(CS(=O)(=O)Nc2cc(F)ccc2SCC(F)F)CCOCC1 ZINC000650181319 566432349 /nfs/dbraw/zinc/43/23/49/566432349.db2.gz FAXGLRANGQWNBL-UHFFFAOYSA-N 0 2 399.456 3.120 10 0 GGAELN CSc1cc(NS(=O)(=O)c2ccc(CCNC(C)=O)s2)ccc1C ZINC000650222485 566439680 /nfs/dbraw/zinc/43/96/80/566439680.db2.gz LGUWMYNBTAOWEB-UHFFFAOYSA-N 0 2 384.548 3.258 10 0 GGAELN O=C(CCCc1ccccc1Br)N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000577637254 566451253 /nfs/dbraw/zinc/45/12/53/566451253.db2.gz OOHYDXSCXQKIRP-UHFFFAOYSA-N 0 2 393.285 3.002 10 0 GGAELN O=S(=O)(Nc1ccc(F)cn1)c1cc(Br)cc2cccnc21 ZINC000558135581 566451469 /nfs/dbraw/zinc/45/14/69/566451469.db2.gz QDPKQOSPCHJFNT-UHFFFAOYSA-N 0 2 382.214 3.332 10 0 GGAELN COc1ccc(CCNC(=O)N=c2nc(-c3ccsc3)[nH]s2)cc1F ZINC000447989366 566451775 /nfs/dbraw/zinc/45/17/75/566451775.db2.gz ILPCPYKMQIUEFP-UHFFFAOYSA-N 0 2 378.454 3.200 10 0 GGAELN CC(C)Oc1ccc(CNC(=O)N=c2nc(-c3ccsc3)[nH]s2)cn1 ZINC000447997536 566452045 /nfs/dbraw/zinc/45/20/45/566452045.db2.gz DRECBMYCFHMHLA-UHFFFAOYSA-N 0 2 375.479 3.192 10 0 GGAELN O=C(N=c1nc(-c2ccsc2)[nH]s1)NCCCOc1ccc(F)cc1 ZINC000447995681 566452592 /nfs/dbraw/zinc/45/25/92/566452592.db2.gz ZPROCLPWLDXWCR-UHFFFAOYSA-N 0 2 378.454 3.418 10 0 GGAELN CC[C@H](NC(=O)N=c1nc(-c2ccsc2)[nH]s1)c1c(C)nn(C)c1C ZINC000448003488 566453070 /nfs/dbraw/zinc/45/30/70/566453070.db2.gz IBDGFCIPGJTZKL-LBPRGKRZSA-N 0 2 376.511 3.312 10 0 GGAELN Cc1cc(Br)c(F)c(C(=O)N2CCC[C@H](C3N=NC(=O)O3)C2)c1 ZINC000626846229 566453754 /nfs/dbraw/zinc/45/37/54/566453754.db2.gz KAJPTZBDCDOJFH-VIFPVBQESA-N 0 2 384.205 3.005 10 0 GGAELN COCC[C@@H](Cc1ccco1)NC(=O)N=c1nc(-c2ccsc2)[nH]s1 ZINC000448000599 566453816 /nfs/dbraw/zinc/45/38/16/566453816.db2.gz NWECCOOJGPTARL-LBPRGKRZSA-N 0 2 378.479 3.051 10 0 GGAELN CC(C)Oc1cc(CNC(=O)N=c2nc(-c3ccsc3)[nH]s2)ccn1 ZINC000448003404 566453850 /nfs/dbraw/zinc/45/38/50/566453850.db2.gz HKAZODHMBZBMQU-UHFFFAOYSA-N 0 2 375.479 3.192 10 0 GGAELN CCCCn1cc(CNC(=O)N=c2nc(-c3ccsc3)[nH]s2)c(C)n1 ZINC000448000613 566454228 /nfs/dbraw/zinc/45/42/28/566454228.db2.gz NYEUIEFYAHYVIG-UHFFFAOYSA-N 0 2 376.511 3.315 10 0 GGAELN O=C(N=c1nc(-c2ccsc2)[nH]s1)NCCCNc1cccc(F)c1 ZINC000448012851 566455629 /nfs/dbraw/zinc/45/56/29/566455629.db2.gz VDQKPDBTRVSNTF-UHFFFAOYSA-N 0 2 377.470 3.451 10 0 GGAELN Cc1cc(Br)cc(C)c1CNC(=O)N=c1ccc(C2CC2)n[nH]1 ZINC000448151431 566460921 /nfs/dbraw/zinc/46/09/21/566460921.db2.gz NTFNCLXRBKCPIJ-UHFFFAOYSA-N 0 2 375.270 3.477 10 0 GGAELN CC[C@H](C(=O)[O-])[N@H+](C)CC(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000650515104 566461234 /nfs/dbraw/zinc/46/12/34/566461234.db2.gz IWKAHXXQQSBENU-LLVKDONJSA-N 0 2 397.191 3.201 10 0 GGAELN CC[C@H](C(=O)[O-])[N@@H+](C)CC(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000650515104 566461242 /nfs/dbraw/zinc/46/12/42/566461242.db2.gz IWKAHXXQQSBENU-LLVKDONJSA-N 0 2 397.191 3.201 10 0 GGAELN FC(F)(F)c1cc(Br)ccc1C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000423020661 566469607 /nfs/dbraw/zinc/46/96/07/566469607.db2.gz CMWHWLLVDVIQRX-HUUCEWRRSA-N 0 2 393.247 3.325 10 0 GGAELN Cc1ccsc1-c1nc(=NC(=O)N2CCC[C@@H]2c2nc(C)no2)s[nH]1 ZINC000558415005 566470749 /nfs/dbraw/zinc/47/07/49/566470749.db2.gz UHSYOODWBPAPPS-SNVBAGLBSA-N 0 2 376.467 3.057 10 0 GGAELN O=S(=O)(Nc1cncnc1)c1ccc(Br)cc1C(F)(F)F ZINC000464545902 566484724 /nfs/dbraw/zinc/48/47/24/566484724.db2.gz QPBMCSSXTMDQLN-UHFFFAOYSA-N 0 2 382.161 3.059 10 0 GGAELN O=S(=O)(N[C@H]1CCCC1(F)F)c1cc(Br)c(F)cc1F ZINC000672430015 566489696 /nfs/dbraw/zinc/48/96/96/566489696.db2.gz ZFWYAHQRJSRCFI-JTQLQIEISA-N 0 2 376.169 3.193 10 0 GGAELN Cc1cc(Br)cc(C)c1S(=O)(=O)Nc1cc(C2CC2)n(C)n1 ZINC000558591886 566489999 /nfs/dbraw/zinc/48/99/99/566489999.db2.gz CGDGWPRVTXTMPC-UHFFFAOYSA-N 0 2 384.299 3.478 10 0 GGAELN O=S(=O)(N[C@@H]1CCCC1(F)F)c1cc(Br)c(F)cc1F ZINC000672430016 566490387 /nfs/dbraw/zinc/49/03/87/566490387.db2.gz ZFWYAHQRJSRCFI-SNVBAGLBSA-N 0 2 376.169 3.193 10 0 GGAELN CCOc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1c(Cl)cnn1C ZINC000485399280 566494909 /nfs/dbraw/zinc/49/49/09/566494909.db2.gz BBTDKFYHHZITDU-UHFFFAOYSA-N 0 2 383.779 3.292 10 0 GGAELN Cn1ncc(Cl)c1S(=O)(=O)Nc1ccc(COc2ccccc2)cc1 ZINC000485396113 566494947 /nfs/dbraw/zinc/49/49/47/566494947.db2.gz SLXZNSFSUZKEFV-UHFFFAOYSA-N 0 2 377.853 3.453 10 0 GGAELN Cc1cc(Sc2ncccn2)ccc1NS(=O)(=O)c1c(Cl)cnn1C ZINC000485407011 566495167 /nfs/dbraw/zinc/49/51/67/566495167.db2.gz NZZAFVLZRAVQLH-UHFFFAOYSA-N 0 2 395.897 3.124 10 0 GGAELN Cc1cc(C)c(-c2cc(NS(=O)(=O)c3c(Cl)cnn3C)[nH]n2)cc1C ZINC000485399051 566495947 /nfs/dbraw/zinc/49/59/47/566495947.db2.gz OQLJLZRPDIIJBT-UHFFFAOYSA-N 0 2 379.873 3.190 10 0 GGAELN Cc1cc(=NC(=O)N2CCc3cc(Br)cc(C)c3C2)[nH]nc1C ZINC000538197692 566498785 /nfs/dbraw/zinc/49/87/85/566498785.db2.gz DGLNYJMRMBGGAG-UHFFFAOYSA-N 0 2 375.270 3.176 10 0 GGAELN CC(C)c1noc(CCCNC(=O)c2cc(Br)c(F)cc2O)n1 ZINC000448827090 566502067 /nfs/dbraw/zinc/50/20/67/566502067.db2.gz AVMQVQHALWBEOS-UHFFFAOYSA-N 0 2 386.221 3.163 10 0 GGAELN COCn1nc(C)c(S(=O)(=O)Nc2ccc(C(F)(F)F)c(C)c2)c1C ZINC000424059695 566506037 /nfs/dbraw/zinc/50/60/37/566506037.db2.gz GJGXCCYFDQLVNE-UHFFFAOYSA-N 0 2 377.388 3.232 10 0 GGAELN COCn1nc(C)c(S(=O)(=O)Nc2ccc(Cl)c(SC)c2)c1C ZINC000424058892 566506255 /nfs/dbraw/zinc/50/62/55/566506255.db2.gz ACRKZHHRGFCTHO-UHFFFAOYSA-N 0 2 375.903 3.280 10 0 GGAELN COCn1nc(C)c(S(=O)(=O)Nc2cc(Cl)c(OC)c(Cl)c2)c1C ZINC000424067189 566508088 /nfs/dbraw/zinc/50/80/88/566508088.db2.gz OSWJAWCEVNBLER-UHFFFAOYSA-N 0 2 394.280 3.220 10 0 GGAELN CCCOc1ccc(Cl)cc1NS(=O)(=O)c1c(C)nn(COC)c1C ZINC000424065932 566508118 /nfs/dbraw/zinc/50/81/18/566508118.db2.gz MJZKGLUWSXYALA-UHFFFAOYSA-N 0 2 387.889 3.347 10 0 GGAELN C[C@@H](NC(=O)c1cc(Br)c(F)cc1O)c1nc(C(F)(F)F)no1 ZINC000627822427 566510761 /nfs/dbraw/zinc/51/07/61/566510761.db2.gz QLBXUMWNTKHJMP-SCSAIBSYSA-N 0 2 398.110 3.187 10 0 GGAELN COCc1cc(Cl)ccc1NS(=O)(=O)c1cn(C)nc1C(F)(F)F ZINC000424085326 566511152 /nfs/dbraw/zinc/51/11/52/566511152.db2.gz PIVVLVWQILIUPM-UHFFFAOYSA-N 0 2 383.779 3.040 10 0 GGAELN O=C(N=c1nc(-c2ccsc2)[nH]s1)N1CC2(CCOCC2)[C@@H]1C1CC1 ZINC000578315041 566511311 /nfs/dbraw/zinc/51/13/11/566511311.db2.gz VSYTYGUBKAYNSJ-ZDUSSCGKSA-N 0 2 376.507 3.111 10 0 GGAELN C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)[C@@H]1C(=O)[O-] ZINC000424263080 566523927 /nfs/dbraw/zinc/52/39/27/566523927.db2.gz GWWPYANNQRYLKF-OTYXRUKQSA-N 0 2 376.787 3.065 10 0 GGAELN C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)[C@@H]1C(=O)[O-] ZINC000424263080 566523930 /nfs/dbraw/zinc/52/39/30/566523930.db2.gz GWWPYANNQRYLKF-OTYXRUKQSA-N 0 2 376.787 3.065 10 0 GGAELN C[C@H]1CCC[N@H+](Cc2nc(Cc3cccc(Br)c3)no2)[C@H]1C(=O)[O-] ZINC000424277094 566525447 /nfs/dbraw/zinc/52/54/47/566525447.db2.gz ZWNLBACTYPEALZ-MEDUHNTESA-N 0 2 394.269 3.108 10 0 GGAELN C[C@H]1CCC[N@@H+](Cc2nc(Cc3cccc(Br)c3)no2)[C@H]1C(=O)[O-] ZINC000424277094 566525449 /nfs/dbraw/zinc/52/54/49/566525449.db2.gz ZWNLBACTYPEALZ-MEDUHNTESA-N 0 2 394.269 3.108 10 0 GGAELN COC(=O)c1ccc(C(F)(F)F)cc1NS(=O)(=O)c1cccc(F)c1 ZINC000603981211 566549017 /nfs/dbraw/zinc/54/90/17/566549017.db2.gz TXDFNTIQQQHSLG-UHFFFAOYSA-N 0 2 377.315 3.432 10 0 GGAELN Oc1c(Br)cc(CN2CC3(C2)CCCO3)cc1Br ZINC000628427582 566554739 /nfs/dbraw/zinc/55/47/39/566554739.db2.gz LNLDYSWALZGDAW-UHFFFAOYSA-N 0 2 377.076 3.282 10 0 GGAELN COc1cccc(S(O)=CC(=O)N2CC[C@@H](c3ccc(Cl)cc3)C2)c1 ZINC000424665155 566555000 /nfs/dbraw/zinc/55/50/00/566555000.db2.gz NDCSCHRSQRLFBF-SGANQWHYSA-N 0 2 377.893 3.472 10 0 GGAELN COc1ccc(-c2nc(NS(=O)(=O)C[C@@H](OC)C3CC3)sc2C)cc1 ZINC000578867321 566560961 /nfs/dbraw/zinc/56/09/61/566560961.db2.gz NOKDEJCWWYFNAZ-OAHLLOKOSA-N 0 2 382.507 3.294 10 0 GGAELN CCCc1nc(C)c(NS(=O)(=O)c2cc(C(=O)OC)cc(F)c2C)s1 ZINC000486124251 566561050 /nfs/dbraw/zinc/56/10/50/566561050.db2.gz QXGBAMSXRNDZSM-UHFFFAOYSA-N 0 2 386.470 3.439 10 0 GGAELN CC1(c2nc(=NC(=O)CCC(=O)CCC(=O)c3cccs3)s[nH]2)CC1 ZINC000628539568 566565019 /nfs/dbraw/zinc/56/50/19/566565019.db2.gz ILMJDRXOTLCGBB-UHFFFAOYSA-N 0 2 377.491 3.024 10 0 GGAELN CC1(c2nc(=NC(=O)[C@H]3CCOc4ccc(Br)cc43)s[nH]2)CC1 ZINC000628540298 566565754 /nfs/dbraw/zinc/56/57/54/566565754.db2.gz CVFBGXNWWSOWFV-JTQLQIEISA-N 0 2 394.294 3.279 10 0 GGAELN Cc1sc2ncnc(SCC(=O)N=c3nc(C4(C)CC4)[nH]s3)c2c1C ZINC000628539514 566565847 /nfs/dbraw/zinc/56/58/47/566565847.db2.gz XVSXTTXQQYRWOT-UHFFFAOYSA-N 0 2 391.547 3.364 10 0 GGAELN Cc1ccc(Cl)c2ccc(NS(=O)(=O)c3ccc(N(C)C)nc3)nc12 ZINC000578944645 566566817 /nfs/dbraw/zinc/56/68/17/566566817.db2.gz NNOPGGXOHRTRBT-UHFFFAOYSA-N 0 2 376.869 3.458 10 0 GGAELN O=C(N=c1ncn(C2CCCCC2)[nH]1)NCc1ccsc1Br ZINC000579027055 566573565 /nfs/dbraw/zinc/57/35/65/566573565.db2.gz LZDOEZHXWBPZOZ-UHFFFAOYSA-N 0 2 384.303 3.351 10 0 GGAELN COc1cc(Br)ccc1[C@@H]1CCCN1C(=O)c1n[nH]c(C)c1O ZINC000628676928 566575817 /nfs/dbraw/zinc/57/58/17/566575817.db2.gz OSYSMYNQBDNKTC-LBPRGKRZSA-N 0 2 380.242 3.172 10 0 GGAELN O=C(N=c1nc(-c2ccsc2)[nH]s1)N1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000579061206 566577268 /nfs/dbraw/zinc/57/72/68/566577268.db2.gz YTHOUQMPNFXBTL-OLZOCXBDSA-N 0 2 376.507 3.254 10 0 GGAELN O=C(N=c1nc2n([nH]1)CCCC2)N1CCC[C@@H]1c1ccc(Br)s1 ZINC000579079889 566578727 /nfs/dbraw/zinc/57/87/27/566578727.db2.gz MTHZPGLFJGHSJI-SNVBAGLBSA-N 0 2 396.314 3.229 10 0 GGAELN O=S(=O)(Cc1csc(Br)c1)c1n[nH]c(-c2ccccc2)n1 ZINC000559985312 566581271 /nfs/dbraw/zinc/58/12/71/566581271.db2.gz PLOWXDVATAFYSU-UHFFFAOYSA-N 0 2 384.280 3.270 10 0 GGAELN Cc1cccc(S(=O)(=O)Nc2cnc(CC3CC3)nc2)c1Br ZINC000559977857 566582400 /nfs/dbraw/zinc/58/24/00/566582400.db2.gz YPEQEGDXJZAUCJ-UHFFFAOYSA-N 0 2 382.283 3.301 10 0 GGAELN COc1ccc(NS(=O)(=O)c2cccc(Br)c2Cl)cn1 ZINC000560006891 566583269 /nfs/dbraw/zinc/58/32/69/566583269.db2.gz CVCHQDYCRWKRCX-UHFFFAOYSA-N 0 2 377.647 3.307 10 0 GGAELN Cn1nc(-c2ccsc2)cc1NS(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000486556005 566597303 /nfs/dbraw/zinc/59/73/03/566597303.db2.gz CFXDOPVVLLCIGI-UHFFFAOYSA-N 0 2 388.396 3.363 10 0 GGAELN CC(=O)Nc1ccc(S(=O)(=O)Nc2nc3cc(F)ccc3[nH]2)cc1Cl ZINC000486570007 566599131 /nfs/dbraw/zinc/59/91/31/566599131.db2.gz ZWFFUJOYAKDRIQ-UHFFFAOYSA-N 0 2 382.804 3.115 10 0 GGAELN COc1cncc(C=CCCSc2nnc(NC[C@H]3CCCO3)s2)c1 ZINC000579351916 566600924 /nfs/dbraw/zinc/60/09/24/566600924.db2.gz IQOKEDRQMWXQKF-JBQRSBCVSA-N 0 2 378.523 3.150 10 0 GGAELN O=C(c1ccc(NS(=O)(=O)c2cccs2)cc1)N1CC(CC(F)F)C1 ZINC000425084508 566602935 /nfs/dbraw/zinc/60/29/35/566602935.db2.gz IADZYLKUQYAXDL-UHFFFAOYSA-N 0 2 386.445 3.276 10 0 GGAELN CC(C)(C)n1cnc(=NC(=O)NCc2cc3cc(Br)ccc3[nH]2)[nH]1 ZINC000466882452 566604436 /nfs/dbraw/zinc/60/44/36/566604436.db2.gz BJPPOAIZBJVOCW-UHFFFAOYSA-N 0 2 391.273 3.021 10 0 GGAELN Cc1nn(C)c(C)c1S(=O)(=O)Nc1nc2c(ccc3c2CCCC3)s1 ZINC000605432386 566606398 /nfs/dbraw/zinc/60/63/98/566606398.db2.gz BXVJSQCERSEHBX-UHFFFAOYSA-N 0 2 376.507 3.326 10 0 GGAELN O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)[C@H]1CCC[C@@H](F)C1 ZINC000425144031 566608570 /nfs/dbraw/zinc/60/85/70/566608570.db2.gz CAJYTLOQFADSPS-NWDGAFQWSA-N 0 2 383.470 3.411 10 0 GGAELN Cc1cc(Br)ccc1[C@@H]1CCCN1C(=O)CSc1n[nH]c(=O)[nH]1 ZINC000629076874 566610351 /nfs/dbraw/zinc/61/03/51/566610351.db2.gz BXYWYZKMJWWKIN-LBPRGKRZSA-N 0 2 397.298 3.037 10 0 GGAELN CC(C)n1ncc2c1C[C@@H](NC(=O)c1cc(Br)c(F)cc1O)CC2 ZINC000449914818 566614539 /nfs/dbraw/zinc/61/45/39/566614539.db2.gz WGBVYMABZOVECL-NSHDSACASA-N 0 2 396.260 3.359 10 0 GGAELN CC(C)n1ncc2c1C[C@H](NC(=O)c1cc(Br)c(F)cc1O)CC2 ZINC000449914817 566614866 /nfs/dbraw/zinc/61/48/66/566614866.db2.gz WGBVYMABZOVECL-LLVKDONJSA-N 0 2 396.260 3.359 10 0 GGAELN O=C([C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1)N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000539928759 566615696 /nfs/dbraw/zinc/61/56/96/566615696.db2.gz GHPGEQKCHOJLAB-UONOGXRCSA-N 0 2 381.263 3.327 10 0 GGAELN CCOC(=O)c1cnc(C)c(NS(=O)(=O)c2cc(C)c(F)cc2Cl)c1 ZINC000486719241 566616739 /nfs/dbraw/zinc/61/67/39/566616739.db2.gz BOTQYIWJTXWUIX-UHFFFAOYSA-N 0 2 386.832 3.468 10 0 GGAELN O=S(=O)(Nc1nc2c(s1)CSCC2)c1ccc(C(F)(F)F)nc1 ZINC000560452805 566626532 /nfs/dbraw/zinc/62/65/32/566626532.db2.gz UZGQLLKEAAGGCK-UHFFFAOYSA-N 0 2 381.426 3.147 10 0 GGAELN O=S(=O)(Nc1nc(C2CCOCC2)cs1)c1cnccc1C(F)(F)F ZINC000560453259 566626546 /nfs/dbraw/zinc/62/65/46/566626546.db2.gz RIDHTIIPDHBMSB-UHFFFAOYSA-N 0 2 393.412 3.252 10 0 GGAELN COC(=O)c1cncc(S(=O)(=O)Nc2cc(Cl)ccc2C(F)(F)F)c1 ZINC000560453318 566627134 /nfs/dbraw/zinc/62/71/34/566627134.db2.gz PCYGVOLRPMEUDD-UHFFFAOYSA-N 0 2 394.758 3.341 10 0 GGAELN Cc1cc(Cl)c(C)c(S(=O)(=O)Nc2cnn(-c3ncccn3)c2)c1Cl ZINC000606344541 566627327 /nfs/dbraw/zinc/62/73/27/566627327.db2.gz YSIZPJOVIAJWOQ-UHFFFAOYSA-N 0 2 398.275 3.387 10 0 GGAELN CC(C)(C)OC(=O)[C@@H]1CCN(C(=O)c2cc(Br)c(F)cc2O)C1 ZINC000450055464 566628517 /nfs/dbraw/zinc/62/85/17/566628517.db2.gz DMFNMRFDXUTLGK-SECBINFHSA-N 0 2 388.233 3.098 10 0 GGAELN CC[S@](=O)[C@H]1CCC[C@H](NC(=O)c2cc(Br)c(F)cc2O)C1 ZINC000450068982 566630480 /nfs/dbraw/zinc/63/04/80/566630480.db2.gz URBNDKVUBUNALO-IMXIGIQMSA-N 0 2 392.290 3.103 10 0 GGAELN CC(C)(C)OC(=O)[C@@H]1CCCN1C(=O)c1cc(Br)c(F)cc1O ZINC000450088077 566631780 /nfs/dbraw/zinc/63/17/80/566631780.db2.gz FMUATEIFLCWVRB-LBPRGKRZSA-N 0 2 388.233 3.240 10 0 GGAELN O=S(=O)(Cc1ccccc1Br)Nc1ccc(C(F)(F)F)nn1 ZINC000675241789 566633016 /nfs/dbraw/zinc/63/30/16/566633016.db2.gz GWCCXLWNLKVHMS-UHFFFAOYSA-N 0 2 396.188 3.200 10 0 GGAELN CN(CCC(=O)OC(C)(C)C)C(=O)c1cc(Br)c(F)cc1O ZINC000450103685 566633241 /nfs/dbraw/zinc/63/32/41/566633241.db2.gz VIMGQRPSHWBFKL-UHFFFAOYSA-N 0 2 376.222 3.098 10 0 GGAELN COCCOc1ccc(F)cc1NS(=O)(=O)c1ccc(C)c(F)c1F ZINC000629287988 566634770 /nfs/dbraw/zinc/63/47/70/566634770.db2.gz GDULSAQPLBGXSS-UHFFFAOYSA-N 0 2 375.368 3.238 10 0 GGAELN CC1(C)CN(C(=O)N=c2nc(-c3ccsc3)[nH]s2)C[C@H](C(F)(F)F)O1 ZINC000652904160 566635091 /nfs/dbraw/zinc/63/50/91/566635091.db2.gz ZRSCCRSJVBDVFY-SECBINFHSA-N 0 2 392.428 3.262 10 0 GGAELN CCOc1ccc(S(=O)(=O)Nc2cc(CC)on2)cc1Br ZINC000675283619 566635445 /nfs/dbraw/zinc/63/54/45/566635445.db2.gz PZDBHXLVIMONSX-UHFFFAOYSA-N 0 2 375.244 3.199 10 0 GGAELN CCOc1ccc(Br)cc1NS(=O)(=O)C[C@@H](OCC)C1CC1 ZINC000629288320 566635829 /nfs/dbraw/zinc/63/58/29/566635829.db2.gz OXGQQBHOZYKPHK-OAHLLOKOSA-N 0 2 392.315 3.405 10 0 GGAELN CCO[C@@H](CS(=O)(=O)Nc1nn(-c2ccc(Cl)cc2)cc1C)C1CC1 ZINC000629298448 566638874 /nfs/dbraw/zinc/63/88/74/566638874.db2.gz AZTSRJRLEVUAPS-INIZCTEOSA-N 0 2 383.901 3.391 10 0 GGAELN CCO[C@@H](CS(=O)(=O)Nc1cc(Br)cc(Cl)c1O)C1CC1 ZINC000629296964 566638976 /nfs/dbraw/zinc/63/89/76/566638976.db2.gz QXEJUBLDLGBMPJ-LBPRGKRZSA-N 0 2 398.706 3.365 10 0 GGAELN Cc1ccsc1-c1nc(=NC(=O)N2CCC[C@@](CO)(C(C)C)C2)s[nH]1 ZINC000652935556 566639448 /nfs/dbraw/zinc/63/94/48/566639448.db2.gz AGQXBEPHWWEMAO-QGZVFWFLSA-N 0 2 380.539 3.259 10 0 GGAELN COc1c(C)cc(Cl)cc1NS(=O)(=O)c1cc(C(F)(F)F)nn1C ZINC000629322810 566642915 /nfs/dbraw/zinc/64/29/15/566642915.db2.gz SONAEKBTTGHEEZ-UHFFFAOYSA-N 0 2 383.779 3.210 10 0 GGAELN CCn1nc(C)cc1NS(=O)(=O)c1cc(Cl)cc(Br)c1 ZINC000629352480 566649399 /nfs/dbraw/zinc/64/93/99/566649399.db2.gz KIJGTYBVRSKCFA-UHFFFAOYSA-N 0 2 378.679 3.428 10 0 GGAELN Clc1cc(C[N@@H+]2CC[C@@H](c3nnc[nH]3)C2)ccc1I ZINC000425551668 566654736 /nfs/dbraw/zinc/65/47/36/566654736.db2.gz QPYYEVMOEZXVIT-SNVBAGLBSA-N 0 2 388.640 3.052 10 0 GGAELN CC[C@@H](C)n1nc(NS(=O)(=O)c2ccc(C(=O)OC)c(Cl)c2)cc1C ZINC000540496970 566654853 /nfs/dbraw/zinc/65/48/53/566654853.db2.gz YOJHIAUHWGDXPN-SNVBAGLBSA-N 0 2 385.873 3.403 10 0 GGAELN O=C(c1cc(Br)c(F)cc1O)N1CCO[C@@H](Cc2ccccc2)C1 ZINC000450433676 566670749 /nfs/dbraw/zinc/67/07/49/566670749.db2.gz KUIKEWGTSVFHFP-ZDUSSCGKSA-N 0 2 394.240 3.378 10 0 GGAELN O=C(c1cc(Br)c(F)cc1O)N1CCO[C@H](Cc2ccccc2)C1 ZINC000450433675 566670799 /nfs/dbraw/zinc/67/07/99/566670799.db2.gz KUIKEWGTSVFHFP-CYBMUJFWSA-N 0 2 394.240 3.378 10 0 GGAELN CCN(C)C(=O)c1cccc(S(=O)(=O)Nc2ncc(C(F)(F)F)s2)c1 ZINC000514813342 566671688 /nfs/dbraw/zinc/67/16/88/566671688.db2.gz DGNAGRMHLBIZDM-UHFFFAOYSA-N 0 2 393.412 3.055 10 0 GGAELN COc1cccc(-c2nc(=NC(=O)c3ncsc3Br)s[nH]2)c1 ZINC000514883356 566676689 /nfs/dbraw/zinc/67/66/89/566676689.db2.gz AVHWUUDFZRVDOF-UHFFFAOYSA-N 0 2 397.279 3.107 10 0 GGAELN CN(C)S(=O)(=O)c1ccc(O)c(C(=O)Nc2csc3ccccc23)c1 ZINC000468173217 566687155 /nfs/dbraw/zinc/68/71/55/566687155.db2.gz HJJGWCWRIQCAAB-UHFFFAOYSA-N 0 2 376.459 3.110 10 0 GGAELN COc1cc(OC)c(C[C@H](C)Nc2nc(C(F)(F)F)ns2)c(OC)c1 ZINC000450713169 566699287 /nfs/dbraw/zinc/69/92/87/566699287.db2.gz SHANTYUJAXXJIP-QMMMGPOBSA-N 0 2 377.388 3.048 10 0 GGAELN CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(OC)cn1 ZINC000608258553 566710777 /nfs/dbraw/zinc/71/07/77/566710777.db2.gz OYCZWXCRTYQREZ-UHFFFAOYSA-N 0 2 387.255 3.052 10 0 GGAELN COc1ccc(NS(=O)(=O)c2ccc(Br)cc2Cl)nc1 ZINC000608258724 566710887 /nfs/dbraw/zinc/71/08/87/566710887.db2.gz NQHVZCJZVVIUDV-UHFFFAOYSA-N 0 2 377.647 3.307 10 0 GGAELN CCCc1nc(C)c(NS(=O)(=O)c2c(OC)cc(OC)cc2OC)s1 ZINC000488266882 566718038 /nfs/dbraw/zinc/71/80/38/566718038.db2.gz PSPIKUUJZUHZHN-UHFFFAOYSA-N 0 2 386.495 3.231 10 0 GGAELN O=S(=O)(Nc1cc([C@@H]2CCCO2)[nH]n1)c1ccc(F)c(C(F)(F)F)c1 ZINC000580749592 566719819 /nfs/dbraw/zinc/71/98/19/566719819.db2.gz DAQWGPAPROUFOA-LBPRGKRZSA-N 0 2 379.335 3.220 10 0 GGAELN Cc1nc(C[NH2+]Cc2cc(Br)cc3c2OCC3)sc1C(=O)[O-] ZINC000426670442 566724279 /nfs/dbraw/zinc/72/42/79/566724279.db2.gz GCKTXVUDUPFORC-UHFFFAOYSA-N 0 2 383.267 3.137 10 0 GGAELN COc1cccc(-c2nsc(NS(=O)(=O)c3cccc(OC)c3)n2)c1 ZINC000677113120 566724489 /nfs/dbraw/zinc/72/44/89/566724489.db2.gz AGMSCYNBAJFZRM-UHFFFAOYSA-N 0 2 377.447 3.023 10 0 GGAELN CO[C@H](C)CS(=O)(=O)Nc1nc(-c2c(F)cc(F)cc2F)c(C)s1 ZINC000450969155 566725613 /nfs/dbraw/zinc/72/56/13/566725613.db2.gz LDNOXTADKONMEJ-SSDOTTSWSA-N 0 2 380.413 3.312 10 0 GGAELN CO[C@@H](C)CS(=O)(=O)Nc1nc(-c2c(F)cc(F)cc2F)c(C)s1 ZINC000450969156 566725731 /nfs/dbraw/zinc/72/57/31/566725731.db2.gz LDNOXTADKONMEJ-ZETCQYMHSA-N 0 2 380.413 3.312 10 0 GGAELN COc1cc(C(F)(F)F)cc(S(=O)(=O)Nc2nnc(C(C)C)s2)c1 ZINC000450970718 566726394 /nfs/dbraw/zinc/72/63/94/566726394.db2.gz FKHDENZYHLGCPB-UHFFFAOYSA-N 0 2 381.401 3.490 10 0 GGAELN Cc1ccsc1-c1nc(=NC(=O)N2C[C@@]3(CCCO3)[C@@H]2C2CC2)s[nH]1 ZINC000580816747 566726402 /nfs/dbraw/zinc/72/64/02/566726402.db2.gz LJAQUWGXSSUWAI-GUYCJALGSA-N 0 2 376.507 3.172 10 0 GGAELN CC(C)(C)n1cnc(=NC(=O)N[C@H]2CCc3c2cccc3Br)[nH]1 ZINC000541505060 566729328 /nfs/dbraw/zinc/72/93/28/566729328.db2.gz AGBILSUYVNGLMQ-ZDUSSCGKSA-N 0 2 378.274 3.027 10 0 GGAELN CC(C)COc1ccc(NS(=O)(=O)c2cccnc2C(F)(F)F)cn1 ZINC000561694594 566730549 /nfs/dbraw/zinc/73/05/49/566730549.db2.gz NYSIOBHYRHXRTN-UHFFFAOYSA-N 0 2 375.372 3.331 10 0 GGAELN COc1ccc(C[NH2+][C@@H](C)c2nc(C(=O)[O-])cs2)c(Br)c1O ZINC000630463551 566734715 /nfs/dbraw/zinc/73/47/15/566734715.db2.gz CFFHECXDJOEYFS-ZETCQYMHSA-N 0 2 387.255 3.169 10 0 GGAELN CC(C)(NS(=O)(=O)Cc1ccc(Br)c(F)c1)C(F)(F)F ZINC000451028149 566737514 /nfs/dbraw/zinc/73/75/14/566737514.db2.gz CNCTUMGEWCVKSZ-UHFFFAOYSA-N 0 2 378.185 3.349 10 0 GGAELN COc1cc(C(F)(F)F)cc(S(=O)(=O)Nc2cnn(CC(C)C)c2)c1 ZINC000451020975 566737406 /nfs/dbraw/zinc/73/74/06/566737406.db2.gz NRQPGUIROVHXGS-UHFFFAOYSA-N 0 2 377.388 3.367 10 0 GGAELN Cc1sccc1CC(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000468940997 566745720 /nfs/dbraw/zinc/74/57/20/566745720.db2.gz KCMIPJRWMQAQSJ-UHFFFAOYSA-N 0 2 393.515 3.495 10 0 GGAELN CC[C@H](NS(=O)(=O)c1cc(Br)c(F)cc1F)C(F)(F)F ZINC000468996985 566751634 /nfs/dbraw/zinc/75/16/34/566751634.db2.gz QIHWMJWNPYWIGV-VIFPVBQESA-N 0 2 382.148 3.347 10 0 GGAELN Cc1ccc(S(=O)(=O)Nc2cnn(C)c2C(F)F)cc1Br ZINC000677551193 566752347 /nfs/dbraw/zinc/75/23/47/566752347.db2.gz YDLOSDUNWMDPBX-UHFFFAOYSA-N 0 2 380.214 3.229 10 0 GGAELN Cc1c(Br)cccc1S(=O)(=O)Nc1cnn(C)c1C(F)F ZINC000677550575 566752440 /nfs/dbraw/zinc/75/24/40/566752440.db2.gz JIOYNAHPNPZAJA-UHFFFAOYSA-N 0 2 380.214 3.229 10 0 GGAELN COC(=O)c1sc(NS(=O)(=O)c2ccc3ncsc3c2)nc1C(C)C ZINC000451093116 566753821 /nfs/dbraw/zinc/75/38/21/566753821.db2.gz BKRQANHWXMWYFM-UHFFFAOYSA-N 0 2 397.503 3.464 10 0 GGAELN COC(=O)c1c(F)cccc1NS(=O)(=O)c1ccc2nc(C)sc2c1 ZINC000427203546 566758330 /nfs/dbraw/zinc/75/83/30/566758330.db2.gz JTWSVITXSYRGEC-UHFFFAOYSA-N 0 2 380.422 3.331 10 0 GGAELN Cc1nc2ccc(S(=O)(=O)Nc3cccnc3OCC(F)F)cc2s1 ZINC000427336053 566768012 /nfs/dbraw/zinc/76/80/12/566768012.db2.gz HGXCRDOITISXGH-UHFFFAOYSA-N 0 2 385.417 3.444 10 0 GGAELN COC(=O)c1ccc(S(=O)(=O)Nc2cc(CCC(C)C)n[nH]2)cc1Cl ZINC000469174364 566768016 /nfs/dbraw/zinc/76/80/16/566768016.db2.gz JFZMVZKRBXLCTO-UHFFFAOYSA-N 0 2 385.873 3.239 10 0 GGAELN COC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)cn1 ZINC000542010724 566768527 /nfs/dbraw/zinc/76/85/27/566768527.db2.gz AMWGZIXJQSGTGD-UHFFFAOYSA-N 0 2 394.758 3.341 10 0 GGAELN CCOC(=O)c1cc(COC)cc(NS(=O)(=O)c2ccc(CC)s2)c1 ZINC000427354296 566768955 /nfs/dbraw/zinc/76/89/55/566768955.db2.gz IBGMWJRKUULCER-UHFFFAOYSA-N 0 2 383.491 3.434 10 0 GGAELN O=S(=O)(Nc1noc(-c2ccc(Cl)cc2)n1)c1c(F)cccc1Cl ZINC000562264311 566775090 /nfs/dbraw/zinc/77/50/90/566775090.db2.gz ZHQOMIQKPQIAPN-UHFFFAOYSA-N 0 2 388.207 3.405 10 0 GGAELN Cc1cc(=NC(=O)CSCc2ccc(Br)cc2F)[nH]nc1C ZINC000609644485 566778557 /nfs/dbraw/zinc/77/85/57/566778557.db2.gz BNZDVMWIVUBZQZ-UHFFFAOYSA-N 0 2 384.274 3.289 10 0 GGAELN C[C@H]1Cc2cc(S(=O)(=O)Nc3cc([C@H]4CCCO4)[nH]n3)cc(Cl)c2O1 ZINC000562315481 566779632 /nfs/dbraw/zinc/77/96/32/566779632.db2.gz CADJZFUNIKKNDO-LKFCYVNXSA-N 0 2 383.857 3.039 10 0 GGAELN O=C(Nc1n[nH]c(-c2ccc(Br)cc2)n1)c1c(O)cc(F)cc1F ZINC000678307112 566792902 /nfs/dbraw/zinc/79/29/02/566792902.db2.gz OCQDSRWODQTNHS-UHFFFAOYSA-N 0 2 395.163 3.470 10 0 GGAELN O=c1[nH]nc(C2CCN(c3ncc(Br)cc3C(F)(F)F)CC2)[nH]1 ZINC000631256643 566795276 /nfs/dbraw/zinc/79/52/76/566795276.db2.gz YOMRJYPTJZVBTF-UHFFFAOYSA-N 0 2 392.179 3.071 10 0 GGAELN COC(=O)c1ncc(NS(=O)(=O)c2ccc3nc(C)sc3c2)cc1Cl ZINC000427761651 566795525 /nfs/dbraw/zinc/79/55/25/566795525.db2.gz PSDUIDLZQRTRHG-UHFFFAOYSA-N 0 2 397.865 3.241 10 0 GGAELN COc1ccc(S(=O)(=O)Nc2cc([C@H]3CCCO3)[nH]n2)c(Cl)c1Cl ZINC000581660164 566796007 /nfs/dbraw/zinc/79/60/07/566796007.db2.gz LKBTUHXVXISPNR-SECBINFHSA-N 0 2 392.264 3.377 10 0 GGAELN CC(C)CCc1nc(CS(=O)(=O)c2n[nH]c(-c3ccccc3)n2)cs1 ZINC000562497229 566796155 /nfs/dbraw/zinc/79/61/55/566796155.db2.gz BGLIYXPYLDCSQS-UHFFFAOYSA-N 0 2 376.507 3.491 10 0 GGAELN COCc1cc(C(=O)OC)cc(S(=O)(=O)Nc2nc(C(C)C)cs2)c1 ZINC000427790201 566798896 /nfs/dbraw/zinc/79/88/96/566798896.db2.gz RQYSVYCACZJESE-UHFFFAOYSA-N 0 2 384.479 3.000 10 0 GGAELN O=S(=O)(Nc1c[nH]nc1-c1ccccn1)c1cccc(Br)c1F ZINC000581689914 566799012 /nfs/dbraw/zinc/79/90/12/566799012.db2.gz MXCUZPDFCLBZPT-UHFFFAOYSA-N 0 2 397.229 3.174 10 0 GGAELN CC(C)(C)n1cnc(=NC(=O)NCCOCc2ccc(Cl)cc2Cl)[nH]1 ZINC000542433843 566800217 /nfs/dbraw/zinc/80/02/17/566800217.db2.gz KSQIXCUUSGRTQR-UHFFFAOYSA-N 0 2 386.283 3.100 10 0 GGAELN CC(C)(C)n1cnc(=NC(=O)N2CCSC[C@@H]2c2ccc(Cl)cc2)[nH]1 ZINC000542437219 566800587 /nfs/dbraw/zinc/80/05/87/566800587.db2.gz QNAZEPOQVPBJKW-CQSZACIVSA-N 0 2 379.917 3.430 10 0 GGAELN CC(C)(C)n1cnc(=NC(=O)NCC(C)(C)c2cccc(Br)c2)[nH]1 ZINC000542434555 566800647 /nfs/dbraw/zinc/80/06/47/566800647.db2.gz PMEKJLUJSMEPOF-UHFFFAOYSA-N 0 2 394.317 3.317 10 0 GGAELN CO[C@H](CS(=O)(=O)Nc1ncc(Cc2ccc(C)c(F)c2)s1)C1CC1 ZINC000517030858 566801628 /nfs/dbraw/zinc/80/16/28/566801628.db2.gz YVFHBCRCNAVKQP-MRXNPFEDSA-N 0 2 384.498 3.348 10 0 GGAELN COCc1ccccc1CS(=O)(=O)Nc1ncc(-c2ccccn2)s1 ZINC000517199405 566811205 /nfs/dbraw/zinc/81/12/05/566811205.db2.gz UIJPDZKMJKUVIV-UHFFFAOYSA-N 0 2 375.475 3.293 10 0 GGAELN C[C@H](CCNC(=O)Nc1c(-c2cccs2)nc2ccccn21)[S@@](C)=O ZINC000581877147 566811723 /nfs/dbraw/zinc/81/17/23/566811723.db2.gz ORAWOKKHKFKFBO-XELLLNAOSA-N 0 2 376.507 3.341 10 0 GGAELN CN1C(=O)Cc2cc(OC[C@@H](O)COc3c(Cl)cccc3Cl)ccc21 ZINC000581891482 566812066 /nfs/dbraw/zinc/81/20/66/566812066.db2.gz IQSGQLYMDJPAMT-GFCCVEGCSA-N 0 2 382.243 3.331 10 0 GGAELN COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)NC1CC(C(C)(C)C)C1 ZINC000581889480 566812108 /nfs/dbraw/zinc/81/21/08/566812108.db2.gz XMJWLOUDJGPGOE-UHFFFAOYSA-N 0 2 388.917 3.410 10 0 GGAELN CCn1c([C@@H]2CCCS2)nnc1N(C)Cc1nc(=O)c2sccc2[nH]1 ZINC000517230050 566814020 /nfs/dbraw/zinc/81/40/20/566814020.db2.gz RIYJHQDLSBLHHU-NSHDSACASA-N 0 2 376.511 3.213 10 0 GGAELN CO[C@H](C)CS(=O)(=O)Nc1cc(Br)cc(C(C)(C)C)c1O ZINC000655589709 566818144 /nfs/dbraw/zinc/81/81/44/566818144.db2.gz ZVMJYDMHQLNBOC-SECBINFHSA-N 0 2 380.304 3.229 10 0 GGAELN O=S(=O)(NC[C@H]1CCN(c2ccccc2)C1)c1onc(C2CC2)c1Cl ZINC000631786656 566825960 /nfs/dbraw/zinc/82/59/60/566825960.db2.gz BEXDVOUILKIDAO-GFCCVEGCSA-N 0 2 381.885 3.010 10 0 GGAELN CO[C@H]1C[C@H](N(C)C(=O)N=c2nc(-c3sccc3C)[nH]s2)C12CCC2 ZINC000517515148 566829131 /nfs/dbraw/zinc/82/91/31/566829131.db2.gz WYTWRJVCGXUMLL-RYUDHWBXSA-N 0 2 378.523 3.418 10 0 GGAELN Cc1scc(C(=O)Nc2ccc(S(=O)(=O)Nc3nncs3)cc2)c1C ZINC000490069278 566829601 /nfs/dbraw/zinc/82/96/01/566829601.db2.gz WFJHFDMOINEQQD-UHFFFAOYSA-N 0 2 394.503 3.270 10 0 GGAELN O=S(=O)(N[C@@H](C[C@@H]1CCCO1)C(F)(F)F)c1c(F)cccc1Cl ZINC000655661967 566830225 /nfs/dbraw/zinc/83/02/25/566830225.db2.gz LMBNUZSRNDKENQ-KWQFWETISA-N 0 2 375.771 3.257 10 0 GGAELN O=S(=O)(N[C@@H](C[C@@H]1CCCO1)C(F)(F)F)c1cc2cc(F)ccc2o1 ZINC000655662375 566830240 /nfs/dbraw/zinc/83/02/40/566830240.db2.gz QTZUHOXXWJIUOY-AAEUAGOBSA-N 0 2 381.347 3.350 10 0 GGAELN Cc1cc(S(=O)(=O)N[C@H](C[C@@H]2CCCO2)C(F)(F)F)sc1Cl ZINC000655661637 566830419 /nfs/dbraw/zinc/83/04/19/566830419.db2.gz HAUVRFJBBQVLCS-DTWKUNHWSA-N 0 2 377.837 3.488 10 0 GGAELN O=S(=O)(N[C@@H](C[C@H]1CCCO1)C(F)(F)F)c1cc2cc(F)ccc2o1 ZINC000655662378 566830448 /nfs/dbraw/zinc/83/04/48/566830448.db2.gz QTZUHOXXWJIUOY-YPMHNXCESA-N 0 2 381.347 3.350 10 0 GGAELN O=S(=O)(N[C@H](C[C@@H]1CCCO1)C(F)(F)F)c1cc(Cl)ccc1F ZINC000655661571 566830548 /nfs/dbraw/zinc/83/05/48/566830548.db2.gz GJTOSHOFLWUCHI-JOYOIKCWSA-N 0 2 375.771 3.257 10 0 GGAELN O=S(=O)(N[C@@H](C[C@@H]1CCCO1)C(F)(F)F)c1cc(Cl)ccc1F ZINC000655661570 566830823 /nfs/dbraw/zinc/83/08/23/566830823.db2.gz GJTOSHOFLWUCHI-CABZTGNLSA-N 0 2 375.771 3.257 10 0 GGAELN O=S(=O)(N[C@H](C[C@@H]1CCCO1)C(F)(F)F)c1ccc(Cl)cc1F ZINC000655663627 566831650 /nfs/dbraw/zinc/83/16/50/566831650.db2.gz ILFDVOXWZGUQCV-JOYOIKCWSA-N 0 2 375.771 3.257 10 0 GGAELN COC(=O)c1c(F)cccc1S(=O)(=O)Nc1ccc(C(C)=O)c(Cl)c1 ZINC000543020794 566844502 /nfs/dbraw/zinc/84/45/02/566844502.db2.gz GFOLLCAOYGEWIW-UHFFFAOYSA-N 0 2 385.800 3.269 10 0 GGAELN C[C@@H](O)C[C@H](CNS(=O)(=O)c1onc(C2CC2)c1Cl)c1ccccc1 ZINC000632099986 566849482 /nfs/dbraw/zinc/84/94/82/566849482.db2.gz SGOUCXSIFWDSLZ-BXUZGUMPSA-N 0 2 384.885 3.038 10 0 GGAELN O=S(=O)(NCc1nnc(-c2ccccc2)s1)c1onc(C2CC2)c1Cl ZINC000632098761 566850022 /nfs/dbraw/zinc/85/00/22/566850022.db2.gz ARADNOZTODHQDD-UHFFFAOYSA-N 0 2 396.881 3.202 10 0 GGAELN Cn1nccc1[C@H]1CCCCN1C(=O)c1cc(Br)c(F)cc1O ZINC000451629975 566854037 /nfs/dbraw/zinc/85/40/37/566854037.db2.gz FBCGDORGTVDOKM-CQSZACIVSA-N 0 2 382.233 3.395 10 0 GGAELN Oc1c(F)cc(-c2noc(Cc3cnn4c3CCCC4)n2)cc1Br ZINC000632176174 566857838 /nfs/dbraw/zinc/85/78/38/566857838.db2.gz LSMKBLJRZFXTTP-UHFFFAOYSA-N 0 2 393.216 3.467 10 0 GGAELN O=S(=O)(N[C@@H](c1ccccc1)[C@@H]1CCOC1)c1onc(C2CC2)c1Cl ZINC000632177191 566858158 /nfs/dbraw/zinc/85/81/58/566858158.db2.gz NSKMGZWMXURUGS-HIFRSBDPSA-N 0 2 382.869 3.262 10 0 GGAELN O=S(=O)(N[C@H](c1ccccc1)[C@H]1CCOC1)c1onc(C2CC2)c1Cl ZINC000632177190 566858819 /nfs/dbraw/zinc/85/88/19/566858819.db2.gz NSKMGZWMXURUGS-DZGCQCFKSA-N 0 2 382.869 3.262 10 0 GGAELN COc1cc(Br)ccc1[C@@H](C)NC(=O)N=c1ccc(C2CC2)n[nH]1 ZINC000470396285 566869697 /nfs/dbraw/zinc/86/96/97/566869697.db2.gz DBSVRBNNWBLDKK-SNVBAGLBSA-N 0 2 391.269 3.430 10 0 GGAELN CC(C)(C)OC1CC(CCNS(=O)(=O)c2onc(C3CC3)c2Cl)C1 ZINC000632278488 566871149 /nfs/dbraw/zinc/87/11/49/566871149.db2.gz SRUMIIDLYJAGKE-UHFFFAOYSA-N 0 2 376.906 3.468 10 0 GGAELN CC(C)(C)n1cnc(=NC(=O)NC2(c3ccc(Br)cc3)CCC2)[nH]1 ZINC000543364755 566874353 /nfs/dbraw/zinc/87/43/53/566874353.db2.gz YMFKIJFMJQWUFO-UHFFFAOYSA-N 0 2 392.301 3.418 10 0 GGAELN CCc1c(NS(=O)(=O)c2ccc(C(F)(F)F)nc2)cnn1CC(C)C ZINC000679844304 566876495 /nfs/dbraw/zinc/87/64/95/566876495.db2.gz NRAZHOLKWQLBRX-UHFFFAOYSA-N 0 2 376.404 3.316 10 0 GGAELN CO[C@H](CCNC(=O)N=c1nc(-c2cccc(Cl)c2)[nH]s1)C(F)(F)F ZINC000470517530 566880322 /nfs/dbraw/zinc/88/03/22/566880322.db2.gz YBXAQJHYXHMYFZ-SNVBAGLBSA-N 0 2 394.806 3.369 10 0 GGAELN O=S(=O)(NCc1cccc(C(F)(F)F)n1)c1onc(C2CC2)c1Cl ZINC000632389411 566880580 /nfs/dbraw/zinc/88/05/80/566880580.db2.gz UVFRMFXQFYPLQP-UHFFFAOYSA-N 0 2 381.763 3.098 10 0 GGAELN Cc1c(Br)cccc1CS(=O)(=O)Nc1ncn(C(C)(C)C)n1 ZINC000656184212 566880927 /nfs/dbraw/zinc/88/09/27/566880927.db2.gz LAKQBEMGADQZJG-UHFFFAOYSA-N 0 2 387.303 3.046 10 0 GGAELN COc1cccc2nc(NS(=O)(=O)c3cn4c(n3)CCC[C@H]4C)sc21 ZINC000656187270 566883270 /nfs/dbraw/zinc/88/32/70/566883270.db2.gz SQUUCPGHEIDCEG-SNVBAGLBSA-N 0 2 378.479 3.200 10 0 GGAELN O=S(=O)(NCc1cnccc1C(F)(F)F)c1onc(C2CC2)c1Cl ZINC000632579927 566896562 /nfs/dbraw/zinc/89/65/62/566896562.db2.gz GGBQJHNRXGKIMU-UHFFFAOYSA-N 0 2 381.763 3.098 10 0 GGAELN O=C(CCCc1ccc(Br)s1)N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000563713770 566911695 /nfs/dbraw/zinc/91/16/95/566911695.db2.gz FXVKAUOYFAFNSY-UHFFFAOYSA-N 0 2 399.314 3.063 10 0 GGAELN CC(C)(C)C(C)(C)C(=O)Nc1ccc(S(=O)(=O)Nc2nncs2)cc1 ZINC000491645830 566913547 /nfs/dbraw/zinc/91/35/47/566913547.db2.gz HRPKCGHBTQGJNC-UHFFFAOYSA-N 0 2 382.511 3.350 10 0 GGAELN CC(C)c1nc(NS(=O)(=O)c2cccc(Br)c2Cl)no1 ZINC000563790527 566918122 /nfs/dbraw/zinc/91/81/22/566918122.db2.gz JLEQHFVAMAYBDB-UHFFFAOYSA-N 0 2 380.651 3.410 10 0 GGAELN CCc1oc(C(=O)N=c2ncn(Cc3cccc(Br)c3)[nH]2)cc1C ZINC000471038908 566923060 /nfs/dbraw/zinc/92/30/60/566923060.db2.gz NGZUNURAOFQHII-UHFFFAOYSA-N 0 2 389.253 3.227 10 0 GGAELN CC(C)c1ccc(/C=C\CC(=O)Nc2nnc(NS(C)(=O)=O)s2)cc1 ZINC000492125643 566924681 /nfs/dbraw/zinc/92/46/81/566924681.db2.gz DXOOXQXJSNJWNB-PLNGDYQASA-N 0 2 380.495 3.075 10 0 GGAELN CCc1nn(C)cc1NS(=O)(=O)c1cc(Cl)cc(Br)c1 ZINC000656625805 566925762 /nfs/dbraw/zinc/92/57/62/566925762.db2.gz FATWCZFDUDPZQQ-UHFFFAOYSA-N 0 2 378.679 3.199 10 0 GGAELN CC(C)(C)c1nc(=NC(=O)N2CCN(c3cccc(Cl)c3)CC2)s[nH]1 ZINC000519220994 566927188 /nfs/dbraw/zinc/92/71/88/566927188.db2.gz CPFUMRFMVVYVGD-UHFFFAOYSA-N 0 2 379.917 3.265 10 0 GGAELN COc1cc(OC)c(S(=O)(=O)Nc2cccc(F)c2SC)c(OC)c1 ZINC000656632880 566928804 /nfs/dbraw/zinc/92/88/04/566928804.db2.gz LPBSPZVDIHBCTL-UHFFFAOYSA-N 0 2 387.454 3.374 10 0 GGAELN COCn1nc(C)c(S(=O)(=O)Nc2ccc(Cl)cc2SC)c1C ZINC000656633028 566928820 /nfs/dbraw/zinc/92/88/20/566928820.db2.gz QKWOLLLIWMPZJJ-UHFFFAOYSA-N 0 2 375.903 3.280 10 0 GGAELN COc1ccc(OC)c(S(=O)(=O)Nc2cnc(C(F)(F)F)c(C)c2)c1 ZINC000656638367 566929819 /nfs/dbraw/zinc/92/98/19/566929819.db2.gz ZLZCXYYWTCEXKZ-UHFFFAOYSA-N 0 2 376.356 3.227 10 0 GGAELN CN1CCc2c(NS(=O)(=O)c3ccc(C(F)(F)F)s3)cccc2C1=O ZINC000656635649 566930528 /nfs/dbraw/zinc/93/05/28/566930528.db2.gz AZZDPSLWGXDXAZ-UHFFFAOYSA-N 0 2 390.408 3.196 10 0 GGAELN COc1cc(C)c(S(=O)(=O)Nc2ccn(C3CCOCC3)n2)cc1Cl ZINC000656636576 566930624 /nfs/dbraw/zinc/93/06/24/566930624.db2.gz NJDXNDLLPKUOPK-UHFFFAOYSA-N 0 2 385.873 3.006 10 0 GGAELN CC(C)(C)n1cnc(NS(=O)(=O)c2cc(Br)ccc2Cl)n1 ZINC000544076593 566935762 /nfs/dbraw/zinc/93/57/62/566935762.db2.gz WLRGRSREXFSZFT-UHFFFAOYSA-N 0 2 393.694 3.250 10 0 GGAELN Cc1nn(C)c(NS(=O)(=O)c2cc(Cl)cc(Br)c2)c1C ZINC000656726828 566939441 /nfs/dbraw/zinc/93/94/41/566939441.db2.gz HGRSLZSPNLIICU-UHFFFAOYSA-N 0 2 378.679 3.254 10 0 GGAELN Cc1cc(C(N)=O)cc(S(=O)(=O)Nc2ncc(C3CCCCC3)s2)c1 ZINC000656730560 566939454 /nfs/dbraw/zinc/93/94/54/566939454.db2.gz FFNBFQCJUTXMHJ-UHFFFAOYSA-N 0 2 379.507 3.399 10 0 GGAELN CC(C)CCc1nnc(NS(=O)(=O)c2cnn(-c3ccccc3)c2)s1 ZINC000656736732 566942668 /nfs/dbraw/zinc/94/26/68/566942668.db2.gz PNPNRYHQSSQTJG-UHFFFAOYSA-N 0 2 377.495 3.113 10 0 GGAELN CC(C)(NS(=O)(=O)Cc1cc(F)ccc1Br)C(F)(F)F ZINC000656735050 566942958 /nfs/dbraw/zinc/94/29/58/566942958.db2.gz QNGQBYVTHNDMHD-UHFFFAOYSA-N 0 2 378.185 3.349 10 0 GGAELN O=C(c1cc(Br)c(F)cc1O)N1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000452173737 566946973 /nfs/dbraw/zinc/94/69/73/566946973.db2.gz ZSWBVBHBXJMANH-CABCVRRESA-N 0 2 384.245 3.468 10 0 GGAELN Cc1cc(Br)ccc1S(=O)(=O)Nc1cnn(C)c1C(F)F ZINC000681131031 566952642 /nfs/dbraw/zinc/95/26/42/566952642.db2.gz CZGYQVSHUBNSQO-UHFFFAOYSA-N 0 2 380.214 3.229 10 0 GGAELN Cc1ccsc1-c1nsc(NS(=O)(=O)c2cccc3cnccc32)n1 ZINC000471915658 566984824 /nfs/dbraw/zinc/98/48/24/566984824.db2.gz SGKDOYSUAQLXPV-UHFFFAOYSA-N 0 2 388.499 3.346 10 0 GGAELN CCn1nccc1S(=O)(=O)Nc1ncc(Cc2cccc(Cl)c2)s1 ZINC000471901238 566985498 /nfs/dbraw/zinc/98/54/98/566985498.db2.gz TWNWJHMRWBCVKW-UHFFFAOYSA-N 0 2 382.898 3.405 10 0 GGAELN COc1cc(C)c(S(=O)(=O)Nc2nc(-c3sccc3C)ns2)cc1C ZINC000471935797 566987012 /nfs/dbraw/zinc/98/70/12/566987012.db2.gz UWHDCHSKHADUEM-UHFFFAOYSA-N 0 2 395.531 3.423 10 0 GGAELN COC(=O)c1cc(F)c(C)c(S(=O)(=O)Nc2nc(C(C)(C)C)cs2)c1 ZINC000471935566 566987118 /nfs/dbraw/zinc/98/71/18/566987118.db2.gz SYDIKLQLLONZIV-UHFFFAOYSA-N 0 2 386.470 3.476 10 0 GGAELN CCn1nccc1S(=O)(=O)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000471925756 566987191 /nfs/dbraw/zinc/98/71/91/566987191.db2.gz VSVKEKYLJIQUNO-UHFFFAOYSA-N 0 2 376.463 3.018 10 0 GGAELN COC(=O)c1scc(C)c1NS(=O)(=O)c1c(C)n(C)c2ccccc21 ZINC000583949728 566998116 /nfs/dbraw/zinc/99/81/16/566998116.db2.gz QMPPLGGMCVLCFT-UHFFFAOYSA-N 0 2 378.475 3.444 10 0 GGAELN COc1ccc(C(=O)C(=O)N=c2nc(-c3ccsc3)[nH]s2)cc1Cl ZINC000544854835 567002391 /nfs/dbraw/zinc/00/23/91/567002391.db2.gz PSPPLLHPWJPIGK-UHFFFAOYSA-N 0 2 379.850 3.172 10 0 GGAELN O=S(=O)(Nc1cc([C@@H]2CCCO2)[nH]n1)c1ccc(C(F)(F)F)c(F)c1 ZINC000564811200 567010806 /nfs/dbraw/zinc/01/08/06/567010806.db2.gz LCTGIGVZLLVASN-LBPRGKRZSA-N 0 2 379.335 3.220 10 0 GGAELN Cc1ccsc1-c1nc(=NC(=O)c2cnn(CCC(F)(F)F)c2)s[nH]1 ZINC000472281031 567014447 /nfs/dbraw/zinc/01/44/47/567014447.db2.gz WKYUQYOUPJLZSS-UHFFFAOYSA-N 0 2 387.412 3.398 10 0 GGAELN CC(=O)Nc1cc(F)c(S(=O)(=O)NC[C@@H]2CCC[C@H]3C[C@H]32)c(F)c1Cl ZINC000657151104 567025711 /nfs/dbraw/zinc/02/57/11/567025711.db2.gz WZZVEIGDUBQRCA-GARJFASQSA-N 0 2 392.855 3.291 10 0 GGAELN COc1ccc(F)c(C(=O)N=c2nc(-c3sccc3C)[nH]s2)c1OC ZINC000472485315 567028529 /nfs/dbraw/zinc/02/85/29/567028529.db2.gz GLPKKWIXZFKHAC-UHFFFAOYSA-N 0 2 379.438 3.406 10 0 GGAELN COc1cccc(-c2nc(=NC(=O)c3ncsc3C(F)(F)F)s[nH]2)c1 ZINC000430709022 567031407 /nfs/dbraw/zinc/03/14/07/567031407.db2.gz LVIBWERUNSERRF-UHFFFAOYSA-N 0 2 386.380 3.363 10 0 GGAELN CO[C@H](CS(=O)(=O)Nc1nc(C)c(Cc2ccc(F)cc2)s1)C1CC1 ZINC000521044040 567038692 /nfs/dbraw/zinc/03/86/92/567038692.db2.gz OSTOSEBOCCZVHW-OAHLLOKOSA-N 0 2 384.498 3.348 10 0 GGAELN CC(C)C[C@H](C)n1nccc1NS(=O)(=O)c1c(C(F)(F)F)cnn1C ZINC000634655249 567044199 /nfs/dbraw/zinc/04/41/99/567044199.db2.gz KEMJHBIKFSPBHV-JTQLQIEISA-N 0 2 379.408 3.043 10 0 GGAELN CC[C@H]1CCc2nc(NS(=O)(=O)c3c(C(F)(F)F)cnn3C)sc2C1 ZINC000634655208 567044383 /nfs/dbraw/zinc/04/43/83/567044383.db2.gz IKLTYRNLTWDVGU-QMMMGPOBSA-N 0 2 394.444 3.211 10 0 GGAELN Cc1cc(F)ccc1S(=O)(=O)Nc1nnc(C(F)(F)C(F)(F)F)s1 ZINC000634659227 567046095 /nfs/dbraw/zinc/04/60/95/567046095.db2.gz DGXYMGIFYKHSFL-UHFFFAOYSA-N 0 2 391.318 3.441 10 0 GGAELN CC(C)N(C)c1ccccc1NS(=O)(=O)c1c(C(F)(F)F)cnn1C ZINC000634657968 567046304 /nfs/dbraw/zinc/04/63/04/567046304.db2.gz KPUBCCJTBLHBMD-UHFFFAOYSA-N 0 2 376.404 3.084 10 0 GGAELN Cc1ccsc1S(=O)(=O)Nc1nnc(C(F)(F)C(F)(F)F)s1 ZINC000634659460 567046913 /nfs/dbraw/zinc/04/69/13/567046913.db2.gz UKTRVMRKAXOBLJ-UHFFFAOYSA-N 0 2 379.357 3.363 10 0 GGAELN Cc1ccc(S(=O)(=O)Nc2nnc(C(F)(F)C(F)(F)F)s2)s1 ZINC000634659447 567046958 /nfs/dbraw/zinc/04/69/58/567046958.db2.gz SNQMTSNSGJHHAS-UHFFFAOYSA-N 0 2 379.357 3.363 10 0 GGAELN COc1cc(C(F)(F)F)cc(S(=O)(=O)Nc2nnc([C@@H]3C[C@H]3C)o2)c1 ZINC000634662425 567048038 /nfs/dbraw/zinc/04/80/38/567048038.db2.gz MTNCHACWKMXXQG-RDDDGLTNSA-N 0 2 377.344 3.021 10 0 GGAELN C[C@H]1C[C@@H]1c1nnc(NS(=O)(=O)c2cc(Cl)cc(Br)c2)o1 ZINC000634662460 567048251 /nfs/dbraw/zinc/04/82/51/567048251.db2.gz NGNSXIXCTKVGOH-WKEGUHRASA-N 0 2 392.662 3.410 10 0 GGAELN C[C@@H]1C[C@@H]1c1nnc(NS(=O)(=O)c2c(Cl)cccc2Br)o1 ZINC000634662233 567048781 /nfs/dbraw/zinc/04/87/81/567048781.db2.gz KCPNYQPVOPLUJU-RQJHMYQMSA-N 0 2 392.662 3.410 10 0 GGAELN COC(=O)c1c[nH]ccc1=NS(=O)(=O)c1c(C)sc2ccc(Cl)cc21 ZINC000584562117 567054699 /nfs/dbraw/zinc/05/46/99/567054699.db2.gz RRQVGNILNRFCSX-UHFFFAOYSA-N 0 2 396.877 3.267 10 0 GGAELN COC(=O)c1cnccc1NS(=O)(=O)c1c(C)sc2ccc(Cl)cc21 ZINC000584562117 567054705 /nfs/dbraw/zinc/05/47/05/567054705.db2.gz RRQVGNILNRFCSX-UHFFFAOYSA-N 0 2 396.877 3.267 10 0 GGAELN COc1cccc(-c2nc(=NC(=O)c3csc(C(F)(F)F)n3)s[nH]2)c1 ZINC000472923951 567055195 /nfs/dbraw/zinc/05/51/95/567055195.db2.gz RBWMHZZGEFJCPL-UHFFFAOYSA-N 0 2 386.380 3.363 10 0 GGAELN O=C(c1cc(Cl)cc(Br)c1O)N1CCO[C@@H](C(F)F)CC1 ZINC000634743012 567055354 /nfs/dbraw/zinc/05/53/54/567055354.db2.gz GKOXWWCAGVXWIF-SNVBAGLBSA-N 0 2 384.604 3.304 10 0 GGAELN O=C(c1cc(Cl)cc(Br)c1O)N1CCO[C@H](C(F)F)CC1 ZINC000634743011 567056408 /nfs/dbraw/zinc/05/64/08/567056408.db2.gz GKOXWWCAGVXWIF-JTQLQIEISA-N 0 2 384.604 3.304 10 0 GGAELN CC(=O)Nc1ncc(S(=O)(=O)Nc2ccc(OC(C)C)c(Cl)c2)s1 ZINC000584740308 567065762 /nfs/dbraw/zinc/06/57/62/567065762.db2.gz ARDVHHHOPXWOEX-UHFFFAOYSA-N 0 2 389.886 3.343 10 0 GGAELN Cc1cc(NS(=O)(=O)c2ccccc2S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000683072060 567094343 /nfs/dbraw/zinc/09/43/43/567094343.db2.gz UNESHXFAEWOSPG-UHFFFAOYSA-N 0 2 393.408 3.218 10 0 GGAELN CCn1nccc1S(=O)(=O)Nc1cc(Cl)cc(Br)c1OC ZINC000546020455 567095780 /nfs/dbraw/zinc/09/57/80/567095780.db2.gz CLLNJDBQHCLUED-UHFFFAOYSA-N 0 2 394.678 3.128 10 0 GGAELN COC(=O)c1cc(S(=O)(=O)Nc2ncc(C(F)(F)F)s2)ccc1C ZINC000473756916 567101624 /nfs/dbraw/zinc/10/16/24/567101624.db2.gz OVJSUGCIHVKRCR-UHFFFAOYSA-N 0 2 380.369 3.058 10 0 GGAELN COC(=O)c1ccc(S(=O)(=O)Nc2ncc(C(F)(F)F)s2)cc1C ZINC000473759346 567101653 /nfs/dbraw/zinc/10/16/53/567101653.db2.gz BAQQFUDFGZECDC-UHFFFAOYSA-N 0 2 380.369 3.058 10 0 GGAELN Cc1ccsc1-c1nc(=NC(=O)NCc2cn3ccsc3n2)s[nH]1 ZINC000473813551 567104603 /nfs/dbraw/zinc/10/46/03/567104603.db2.gz AFJHLVJGHLJJRB-UHFFFAOYSA-N 0 2 376.492 3.028 10 0 GGAELN CCO[C@@H]1C[C@H](NC(=O)N=c2nc(-c3sccc3C)[nH]s2)C12CCC2 ZINC000473822914 567104623 /nfs/dbraw/zinc/10/46/23/567104623.db2.gz PSTYPGHPQLNURD-NWDGAFQWSA-N 0 2 378.523 3.466 10 0 GGAELN CCO[C@H]1C[C@H](NC(=O)N=c2nc(-c3sccc3C)[nH]s2)C12CCC2 ZINC000473822915 567104953 /nfs/dbraw/zinc/10/49/53/567104953.db2.gz PSTYPGHPQLNURD-RYUDHWBXSA-N 0 2 378.523 3.466 10 0 GGAELN Cc1ccsc1-c1nc(=NC(=O)N[C@](C)(CO)C2CCCCC2)s[nH]1 ZINC000473835483 567107079 /nfs/dbraw/zinc/10/70/79/567107079.db2.gz DKYJHRAKBBEXFK-QGZVFWFLSA-N 0 2 380.539 3.450 10 0 GGAELN COc1cc(C)c(NS(=O)(=O)c2ccc([C@H](C)NC(C)=O)s2)cc1C ZINC000683441755 567123888 /nfs/dbraw/zinc/12/38/88/567123888.db2.gz GVJUXSAZCSLPKO-LBPRGKRZSA-N 0 2 382.507 3.371 10 0 GGAELN CC(C)(C)[N@@H+]1CCc2nc([N-]S(=O)(=O)c3cc(F)ccc3F)sc2C1 ZINC000566095537 567126943 /nfs/dbraw/zinc/12/69/43/567126943.db2.gz VVDZKRXQWXZMKM-UHFFFAOYSA-N 0 2 387.477 3.379 10 0 GGAELN CC(C)(C)[N@H+]1CCc2nc([N-]S(=O)(=O)c3cc(F)ccc3F)sc2C1 ZINC000566095537 567126946 /nfs/dbraw/zinc/12/69/46/567126946.db2.gz VVDZKRXQWXZMKM-UHFFFAOYSA-N 0 2 387.477 3.379 10 0 GGAELN CCOc1cc(F)ccc1NS(=O)(=O)c1cc2c(cc1Cl)OCCO2 ZINC000588622760 567129758 /nfs/dbraw/zinc/12/97/58/567129758.db2.gz AOZPCFXOFKWXNC-UHFFFAOYSA-N 0 2 387.816 3.450 10 0 GGAELN COC(=O)c1sc(NS(=O)(=O)c2cccnc2C(F)(F)F)cc1C ZINC000588840485 567140637 /nfs/dbraw/zinc/14/06/37/567140637.db2.gz LIUTVIIFZLMHLH-UHFFFAOYSA-N 0 2 380.369 3.058 10 0 GGAELN Cc1ccsc1-c1nc(=NC(=O)NC[C@@]2(C)CCO[C@H]2C2CC2)s[nH]1 ZINC000546743145 567152765 /nfs/dbraw/zinc/15/27/65/567152765.db2.gz PLYDWTLUQGFEQF-SUMWQHHRSA-N 0 2 378.523 3.324 10 0 GGAELN COC(=O)c1nc(NS(=O)(=O)c2ccc3ncsc3c2)sc1C1CC1 ZINC000432360576 567153305 /nfs/dbraw/zinc/15/33/05/567153305.db2.gz ARUYEOIEEWXENL-UHFFFAOYSA-N 0 2 395.487 3.218 10 0 GGAELN CC1(C)CC(CC(=O)Nc2nnc(NS(=O)(=O)c3ccccc3)s2)C1 ZINC000432407501 567157425 /nfs/dbraw/zinc/15/74/25/567157425.db2.gz MJGMGYDSFWBNPD-UHFFFAOYSA-N 0 2 380.495 3.104 10 0 GGAELN Cc1cc(NS(=O)(=O)c2cc(C)sc2C)n(-c2nc(C)cc(C)n2)n1 ZINC000589262383 567171316 /nfs/dbraw/zinc/17/13/16/567171316.db2.gz KQZFXGUHVDUOTF-UHFFFAOYSA-N 0 2 377.495 3.067 10 0 GGAELN COC(=O)c1nscc1NS(=O)(=O)c1cc(C(C)C)c(OC)cc1C ZINC000432772274 567188016 /nfs/dbraw/zinc/18/80/16/567188016.db2.gz SBPIVVUAQPUMKI-UHFFFAOYSA-N 0 2 384.479 3.171 10 0 GGAELN COc1ccc(NS(=O)(=O)c2ccc(Cl)cc2OC)c(OC)c1OC ZINC000589939854 567199090 /nfs/dbraw/zinc/19/90/90/567199090.db2.gz YXNFATXXETXSAJ-UHFFFAOYSA-N 0 2 387.841 3.175 10 0 GGAELN COc1ccc(NS(=O)(=O)c2ccc(Cl)cc2F)c(OC)c1OC ZINC000589939829 567199334 /nfs/dbraw/zinc/19/93/34/567199334.db2.gz WPZJCWGLVOPQLP-UHFFFAOYSA-N 0 2 375.805 3.306 10 0 GGAELN CC(C)(C)c1nc(=NC(=O)COc2ccc(Cl)c3cccnc23)s[nH]1 ZINC000589937591 567199605 /nfs/dbraw/zinc/19/96/05/567199605.db2.gz OELCHNWBECPSSP-UHFFFAOYSA-N 0 2 376.869 3.477 10 0 GGAELN COc1cccc(CS(=O)(=O)N[C@@H](c2cc(F)ccc2F)C(F)F)c1 ZINC000432949912 567207394 /nfs/dbraw/zinc/20/73/94/567207394.db2.gz OWVFIONDXJSCEO-HNNXBMFYSA-N 0 2 377.359 3.399 10 0 GGAELN CCn1nccc1S(=O)(=O)Nc1cccc(CSC2CCOCC2)c1 ZINC000547434438 567209750 /nfs/dbraw/zinc/20/97/50/567209750.db2.gz PZFZFOJLMBRLRP-UHFFFAOYSA-N 0 2 381.523 3.116 10 0 GGAELN COc1cc(C)c(S(=O)(=O)Nc2ccc(C(F)(F)F)nn2)cc1Cl ZINC000432957839 567209769 /nfs/dbraw/zinc/20/97/69/567209769.db2.gz BBMOUGUSYLQKOR-UHFFFAOYSA-N 0 2 381.763 3.267 10 0 GGAELN Cn1cc(-c2ccc(NS(=O)(=O)Cc3ccc(Cl)cc3Cl)nn2)cn1 ZINC000433144737 567227131 /nfs/dbraw/zinc/22/71/31/567227131.db2.gz NNTMETABYCDUQR-UHFFFAOYSA-N 0 2 398.275 3.126 10 0 GGAELN CC(C)(C)n1cnc(=NC(=O)N2CC[C@@H](c3cccc(Br)c3)C2)[nH]1 ZINC000455126330 567236922 /nfs/dbraw/zinc/23/69/22/567236922.db2.gz DGZACILWHCITKC-CYBMUJFWSA-N 0 2 392.301 3.239 10 0 GGAELN O=C(N[C@H]1CCN(c2ccc(Br)cc2)C1)c1c(O)cc(F)cc1F ZINC000590815644 567249416 /nfs/dbraw/zinc/24/94/16/567249416.db2.gz BRSLQSYJKSXSPM-LBPRGKRZSA-N 0 2 397.219 3.442 10 0 GGAELN CC(C)(O)C(C)(C)NC(=O)N=c1ccc(-c2ccc(Br)s2)n[nH]1 ZINC000433487486 567253361 /nfs/dbraw/zinc/25/33/61/567253361.db2.gz JZWPLMSAPFFJHL-UHFFFAOYSA-N 0 2 399.314 3.061 10 0 GGAELN Cc1cc(S(=O)(=O)Nc2cccc(-c3nc[nH]n3)c2)sc1Br ZINC000433529921 567256638 /nfs/dbraw/zinc/25/66/38/567256638.db2.gz LVFLCWPDYUBYPI-UHFFFAOYSA-N 0 2 399.295 3.405 10 0 GGAELN COc1cc(OC)c(S(=O)(=O)Nc2cccc(CSC)c2)c(OC)c1 ZINC000547955210 567270060 /nfs/dbraw/zinc/27/00/60/567270060.db2.gz KAPBUDABACSBTF-UHFFFAOYSA-N 0 2 383.491 3.376 10 0 GGAELN CCOC(=O)c1cc(NS(=O)(=O)c2cnccc2OCC)ccc1Cl ZINC000591257686 567271019 /nfs/dbraw/zinc/27/10/19/567271019.db2.gz VIKNFJUXQADYCZ-UHFFFAOYSA-N 0 2 384.841 3.111 10 0 GGAELN O=S(=O)(Nc1ccc(Br)cc1O)c1cnccc1C(F)(F)F ZINC000525952170 567277654 /nfs/dbraw/zinc/27/76/54/567277654.db2.gz ISPZJZJWMHBMSF-UHFFFAOYSA-N 0 2 397.172 3.369 10 0 GGAELN CCn1nccc1S(=O)(=O)Nc1ccc(OC(F)F)c(C(F)(F)F)c1 ZINC000475834105 567280366 /nfs/dbraw/zinc/28/03/66/567280366.db2.gz RJCKRSCNDAECII-UHFFFAOYSA-N 0 2 385.314 3.324 10 0 GGAELN Cn1cc(S(=O)(=O)Nc2ccc(C(F)(F)F)c(Br)c2)cn1 ZINC000526044183 567284715 /nfs/dbraw/zinc/28/47/15/567284715.db2.gz LRKHEMAJDNSBDH-UHFFFAOYSA-N 0 2 384.177 3.002 10 0 GGAELN O=C(Nc1nc(-c2ccccc2Br)n[nH]1)c1cn2ccnc2s1 ZINC000526042544 567285026 /nfs/dbraw/zinc/28/50/26/567285026.db2.gz CQMDBNMIBJDNCY-UHFFFAOYSA-N 0 2 389.238 3.196 10 0 GGAELN O=C([O-])c1coc(C[NH+]2CCC(Oc3cccc(Br)c3)CC2)n1 ZINC000568065661 567300990 /nfs/dbraw/zinc/30/09/90/567300990.db2.gz BUCIIGBGJFABGU-UHFFFAOYSA-N 0 2 381.226 3.179 10 0 GGAELN Cc1sccc1CC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000527062813 567308904 /nfs/dbraw/zinc/30/89/04/567308904.db2.gz COGMDRYLPLBBLN-UHFFFAOYSA-N 0 2 393.515 3.495 10 0 GGAELN COC(=O)c1sc(NS(=O)(=O)CCCC2CCOCC2)nc1C(C)C ZINC000592383543 567335239 /nfs/dbraw/zinc/33/52/39/567335239.db2.gz CYGBKAHBDABKOP-UHFFFAOYSA-N 0 2 390.527 3.002 10 0 GGAELN CCOC(=O)c1oc(NS(=O)(=O)c2cc3cccc(C)c3s2)nc1C ZINC000592383004 567335502 /nfs/dbraw/zinc/33/55/02/567335502.db2.gz ZORFMRYMNLDOBB-UHFFFAOYSA-N 0 2 380.447 3.484 10 0 GGAELN O=C(c1cc(Br)c(F)cc1O)N1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000456091554 567338219 /nfs/dbraw/zinc/33/82/19/567338219.db2.gz FQDXUEGXKAKIFY-KMUNFCNLSA-N 0 2 386.261 3.450 10 0 GGAELN O=C(c1cc(Br)c(F)cc1O)N1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000456091555 567338577 /nfs/dbraw/zinc/33/85/77/567338577.db2.gz FQDXUEGXKAKIFY-VCTAVGKDSA-N 0 2 386.261 3.450 10 0 GGAELN O=C1C[C@@H](c2cccc(NS(=O)(=O)c3cc(Cl)sc3Cl)c2)CN1 ZINC000435137610 567344068 /nfs/dbraw/zinc/34/40/68/567344068.db2.gz MTEBDEHUHDDZDL-SECBINFHSA-N 0 2 391.301 3.459 10 0 GGAELN O=C(N=c1ccc(C2CC2)n[nH]1)N1CCc2ccc(F)c(Br)c2C1 ZINC000527602000 567348358 /nfs/dbraw/zinc/34/83/58/567348358.db2.gz ITDODBKMXHERFE-UHFFFAOYSA-N 0 2 391.244 3.268 10 0 GGAELN CCn1cnc(S(=O)(=O)Nc2nc(C)c(Cc3ccccc3F)s2)c1 ZINC000476911370 567357427 /nfs/dbraw/zinc/35/74/27/567357427.db2.gz DJRKSKVJFLFPBJ-UHFFFAOYSA-N 0 2 380.470 3.199 10 0 GGAELN CCn1cnc(S(=O)(=O)Nc2ncc(Cc3ccc(C)c(F)c3)s2)c1 ZINC000476910935 567357709 /nfs/dbraw/zinc/35/77/09/567357709.db2.gz GPEJUIGICZLKQL-UHFFFAOYSA-N 0 2 380.470 3.199 10 0 GGAELN Cc1csc(C2(NS(=O)(=O)c3c(F)c(F)cc(F)c3F)CCC2)n1 ZINC000548876609 567358864 /nfs/dbraw/zinc/35/88/64/567358864.db2.gz IJROGYDYCLURTB-UHFFFAOYSA-N 0 2 380.388 3.366 10 0 GGAELN COC(=O)c1ccc(NS(=O)(=O)c2c(Cl)cc(F)cc2Cl)cn1 ZINC000435477123 567370827 /nfs/dbraw/zinc/37/08/27/567370827.db2.gz MUBRSOMKHMWWED-UHFFFAOYSA-N 0 2 379.196 3.115 10 0 GGAELN Cc1c(Cl)cccc1NC(=O)CCN=c1[nH]nc(C2CCOCC2)s1 ZINC000549121313 567375706 /nfs/dbraw/zinc/37/57/06/567375706.db2.gz DPRBNPOWULQDCT-UHFFFAOYSA-N 0 2 380.901 3.257 10 0 GGAELN Cc1nc(S(=O)(=O)Nc2ccc(OCC(F)F)c(C(F)(F)F)c2)c[nH]1 ZINC000435719315 567384225 /nfs/dbraw/zinc/38/42/25/567384225.db2.gz KWNFYNHANQKQKZ-UHFFFAOYSA-N 0 2 385.314 3.182 10 0 GGAELN O=S(=O)(N[C@@H](c1nccs1)C(F)(F)F)c1ccc(F)c(F)c1F ZINC000549519938 567394945 /nfs/dbraw/zinc/39/49/45/567394945.db2.gz FLNUMDZNBQRQRK-VIFPVBQESA-N 0 2 376.303 3.142 10 0 GGAELN O=S(=O)(N[C@H](c1nccs1)C(F)(F)F)c1cnccc1C(F)(F)F ZINC000549525490 567396205 /nfs/dbraw/zinc/39/62/05/567396205.db2.gz BPLHNFQKOMXJCK-MRVPVSSYSA-N 0 2 391.318 3.139 10 0 GGAELN O=S(=O)(N[C@@H](c1nccs1)C(F)(F)F)c1cnccc1C(F)(F)F ZINC000549525491 567396457 /nfs/dbraw/zinc/39/64/57/567396457.db2.gz BPLHNFQKOMXJCK-QMMMGPOBSA-N 0 2 391.318 3.139 10 0 GGAELN CCc1ccc(CC)c(NS(=O)(=O)c2ccc(CCNC(C)=O)s2)c1 ZINC000435970625 567397472 /nfs/dbraw/zinc/39/74/72/567397472.db2.gz GZRQEHWZFRTCRO-UHFFFAOYSA-N 0 2 380.535 3.352 10 0 GGAELN NC(=O)c1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2F)cc1Cl ZINC000436004078 567400429 /nfs/dbraw/zinc/40/04/29/567400429.db2.gz NRGBRCRKUYYRCM-UHFFFAOYSA-N 0 2 396.749 3.398 10 0 GGAELN C[C@]1(CNC(=O)c2cccc(NS(=O)(=O)c3cccs3)c2)CC1(F)F ZINC000618605075 567402641 /nfs/dbraw/zinc/40/26/41/567402641.db2.gz UPMGUNVHIUWHKE-OAHLLOKOSA-N 0 2 386.445 3.324 10 0 GGAELN O=C([O-])[C@@H]1C[N@H+](Cc2ncc(Br)cc2Cl)C[C@H]1C(F)(F)F ZINC000662204352 567417217 /nfs/dbraw/zinc/41/72/17/567417217.db2.gz IKVGJNJGQRHEFG-HTQZYQBOSA-N 0 2 387.583 3.192 10 0 GGAELN O=C([O-])[C@@H]1C[N@@H+](Cc2ncc(Br)cc2Cl)C[C@H]1C(F)(F)F ZINC000662204352 567417219 /nfs/dbraw/zinc/41/72/19/567417219.db2.gz IKVGJNJGQRHEFG-HTQZYQBOSA-N 0 2 387.583 3.192 10 0 GGAELN CCOc1ccncc1S(=O)(=O)Nc1cc(Cl)ccc1-n1cccn1 ZINC000436477288 567426613 /nfs/dbraw/zinc/42/66/13/567426613.db2.gz LRXWGQRAYQXAJQ-UHFFFAOYSA-N 0 2 378.841 3.120 10 0 GGAELN CCOc1ccncc1S(=O)(=O)Nc1ccccc1NCC(F)(F)F ZINC000436475659 567426716 /nfs/dbraw/zinc/42/67/16/567426716.db2.gz HLYXNFRXXPYHGY-UHFFFAOYSA-N 0 2 375.372 3.255 10 0 GGAELN Cc1cccc(Oc2ncccc2NS(=O)(=O)c2c[nH]c(=O)s2)c1C ZINC000436474635 567426991 /nfs/dbraw/zinc/42/69/91/567426991.db2.gz DJJKFLVSHSTSOP-UHFFFAOYSA-N 0 2 377.447 3.454 10 0 GGAELN COC(C)(C)CS(=O)(=O)Nc1cnn(-c2ccccc2)c1C(F)(F)F ZINC000436474263 567427084 /nfs/dbraw/zinc/42/70/84/567427084.db2.gz BWLFGOFBYPHHCW-UHFFFAOYSA-N 0 2 377.388 3.058 10 0 GGAELN O=C(NCc1n[nH]c(-c2ccc(Br)cc2)n1)c1ccc(F)cc1O ZINC000436536388 567433504 /nfs/dbraw/zinc/43/35/04/567433504.db2.gz PZHSXNRPTRXCGS-UHFFFAOYSA-N 0 2 391.200 3.009 10 0 GGAELN O=C(NCc1nc(-c2ccc(Br)cc2)n[nH]1)c1ccc(F)cc1O ZINC000436536388 567433510 /nfs/dbraw/zinc/43/35/10/567433510.db2.gz PZHSXNRPTRXCGS-UHFFFAOYSA-N 0 2 391.200 3.009 10 0 GGAELN Cc1nn(C)c(C)c1CCNC(=O)c1cc(Cl)cc(Br)c1O ZINC000436630089 567438514 /nfs/dbraw/zinc/43/85/14/567438514.db2.gz ZGUALZXVYLWDSH-UHFFFAOYSA-N 0 2 386.677 3.131 10 0 GGAELN O=C(NCc1ccncc1OCC(F)(F)F)c1cc(F)c(O)c(Cl)c1 ZINC000436633709 567440166 /nfs/dbraw/zinc/44/01/66/567440166.db2.gz HMODAVFYNFHQAD-UHFFFAOYSA-N 0 2 378.709 3.451 10 0 GGAELN Cc1cc(C)c(CNC(=O)c2cc(Cl)cc(Br)c2O)c(=O)[nH]1 ZINC000436636405 567440623 /nfs/dbraw/zinc/44/06/23/567440623.db2.gz RFEULWAFMQXDBH-UHFFFAOYSA-N 0 2 385.645 3.456 10 0 GGAELN O=C(N[C@H](CO)c1cccc(Br)c1)c1cc(F)cc(Cl)c1O ZINC000436899565 567464215 /nfs/dbraw/zinc/46/42/15/567464215.db2.gz KOKCFHAETUZLDU-CYBMUJFWSA-N 0 2 388.620 3.411 10 0 GGAELN COC(=O)CCCCCNC(=O)c1cc(Br)cc(Cl)c1O ZINC000436914316 567465106 /nfs/dbraw/zinc/46/51/06/567465106.db2.gz YVEYOGVWTGDENU-UHFFFAOYSA-N 0 2 378.650 3.271 10 0 GGAELN O=C(N[C@@H](CO)c1ccsc1)c1cc(Br)cc(Cl)c1O ZINC000436914798 567466712 /nfs/dbraw/zinc/46/67/12/567466712.db2.gz LFSPEDSTFODPJQ-NSHDSACASA-N 0 2 376.659 3.333 10 0 GGAELN O=C(Nc1cc(-c2cccs2)nn1CCO)c1cc(F)c(O)c(Cl)c1 ZINC000436975415 567471527 /nfs/dbraw/zinc/47/15/27/567471527.db2.gz KMDNIRILDHIKAB-UHFFFAOYSA-N 0 2 381.816 3.354 10 0 GGAELN O=C(Nc1c(O)c(Cl)cc(Cl)c1Cl)c1cn(C[C@@H]2CCOC2)nn1 ZINC000528954976 567471590 /nfs/dbraw/zinc/47/15/90/567471590.db2.gz ZYVYOZMVBKCIIN-ZETCQYMHSA-N 0 2 391.642 3.233 10 0 GGAELN O=C(NCCOc1cccc(C(F)(F)F)n1)c1cc(F)c(O)c(Cl)c1 ZINC000436976872 567471679 /nfs/dbraw/zinc/47/16/79/567471679.db2.gz CDJQMUOSCRBYPE-UHFFFAOYSA-N 0 2 378.709 3.407 10 0 GGAELN O=S(=O)(Nc1cnc(CC2CC2)nc1)c1ccc(Br)c(F)c1 ZINC000551051572 567476083 /nfs/dbraw/zinc/47/60/83/567476083.db2.gz KLOFGGKJEHYIDJ-UHFFFAOYSA-N 0 2 386.246 3.132 10 0 GGAELN COc1cc(S(=O)(=O)Nc2cnc(CC3CC3)nc2)ccc1Br ZINC000551037786 567476133 /nfs/dbraw/zinc/47/61/33/567476133.db2.gz SYMLUNLBTWNLJY-UHFFFAOYSA-N 0 2 398.282 3.001 10 0 GGAELN COc1cccc(-c2nc(=NC(=O)CCc3c(C)noc3Cl)s[nH]2)c1 ZINC000478705204 567477368 /nfs/dbraw/zinc/47/73/68/567477368.db2.gz QOLDNTMPSQOSKY-UHFFFAOYSA-N 0 2 378.841 3.157 10 0 GGAELN COC(=O)c1ccc(S(=O)(=O)N[C@@H](c2ccc(C)o2)C(F)(F)F)s1 ZINC000594481533 567480831 /nfs/dbraw/zinc/48/08/31/567480831.db2.gz PFGJWGUOCJLRQR-NSHDSACASA-N 0 2 383.369 3.018 10 0 GGAELN CC(C)(C)c1nnc(NS(=O)(=O)c2cc3c(cc2Cl)OCCO3)s1 ZINC000437187979 567481267 /nfs/dbraw/zinc/48/12/67/567481267.db2.gz YLMJVBIXSVVQCB-UHFFFAOYSA-N 0 2 389.886 3.061 10 0 GGAELN Cn1cc(NS(=O)(=O)c2cc(Br)c(F)cc2F)c(C2CC2)n1 ZINC000642891654 567488686 /nfs/dbraw/zinc/48/86/86/567488686.db2.gz MUROMIXNSDQRCM-UHFFFAOYSA-N 0 2 392.225 3.139 10 0 GGAELN Cc1cn(C)nc1NS(=O)(=O)c1ccc(Br)c(C(F)(F)F)c1 ZINC000663263654 567489641 /nfs/dbraw/zinc/48/96/41/567489641.db2.gz CZUSMUTWJYSWAS-UHFFFAOYSA-N 0 2 398.204 3.311 10 0 GGAELN Cc1ccsc1-c1nc(=NC(=O)N[C@H](CO)c2sccc2C)s[nH]1 ZINC000570496314 567490711 /nfs/dbraw/zinc/49/07/11/567490711.db2.gz KZCPMPIBMFCSSG-SNVBAGLBSA-N 0 2 380.520 3.222 10 0 GGAELN CC(C)n1cc(S(=O)(=O)Nc2ncc(Cc3ccc(F)cc3)s2)cn1 ZINC000437310386 567491003 /nfs/dbraw/zinc/49/10/03/567491003.db2.gz SAWYRDTYRLGZTQ-UHFFFAOYSA-N 0 2 380.470 3.451 10 0 GGAELN COCc1csc(NS(=O)(=O)c2sc(C)cc2Br)n1 ZINC000437338959 567492976 /nfs/dbraw/zinc/49/29/76/567492976.db2.gz SZJZJTGNBODHFO-UHFFFAOYSA-N 0 2 383.314 3.223 10 0 GGAELN COC(=O)c1cccc(S(=O)(=O)Nc2cc(Cl)c(Cl)cn2)c1C ZINC000437347072 567493500 /nfs/dbraw/zinc/49/35/00/567493500.db2.gz ZIKWOILOIJHWEQ-UHFFFAOYSA-N 0 2 375.233 3.284 10 0 GGAELN O=C(NC1CC1)c1cccc(S(=O)(=O)Nc2cc(Cl)c(Cl)cn2)c1 ZINC000437337176 567493987 /nfs/dbraw/zinc/49/39/87/567493987.db2.gz KZVGCASHPLHPMB-UHFFFAOYSA-N 0 2 386.260 3.081 10 0 GGAELN C[C@@H]1C[N@H+](Cc2c(Br)cccc2C(=O)[O-])C[C@@](C)(C(F)F)O1 ZINC000663318629 567495965 /nfs/dbraw/zinc/49/59/65/567495965.db2.gz WTLLIHYQEKSNIJ-PSLIRLAXSA-N 0 2 378.213 3.392 10 0 GGAELN C[C@@H]1C[N@@H+](Cc2c(Br)cccc2C(=O)[O-])C[C@@](C)(C(F)F)O1 ZINC000663318629 567495973 /nfs/dbraw/zinc/49/59/73/567495973.db2.gz WTLLIHYQEKSNIJ-PSLIRLAXSA-N 0 2 378.213 3.392 10 0 GGAELN C[C@@H]1C[N@H+](Cc2c(Br)cccc2C(=O)[O-])C[C@](C)(C(F)F)O1 ZINC000663318630 567496476 /nfs/dbraw/zinc/49/64/76/567496476.db2.gz WTLLIHYQEKSNIJ-RFAUZJTJSA-N 0 2 378.213 3.392 10 0 GGAELN C[C@@H]1C[N@@H+](Cc2c(Br)cccc2C(=O)[O-])C[C@](C)(C(F)F)O1 ZINC000663318630 567496483 /nfs/dbraw/zinc/49/64/83/567496483.db2.gz WTLLIHYQEKSNIJ-RFAUZJTJSA-N 0 2 378.213 3.392 10 0 GGAELN CCC[C@H](C(=O)OCC)n1ccc(NS(=O)(=O)c2cc(C)sc2C)n1 ZINC000594699813 567499972 /nfs/dbraw/zinc/49/99/72/567499972.db2.gz CRVRSXLHBWYYPU-CYBMUJFWSA-N 0 2 385.511 3.267 10 0 GGAELN COC(=O)c1c(Cl)cccc1NS(=O)(=O)C[C@H](OC)C1CCCC1 ZINC000594695664 567499978 /nfs/dbraw/zinc/49/99/78/567499978.db2.gz FGENGNDJJJIYFS-AWEZNQCLSA-N 0 2 375.874 3.074 10 0 GGAELN CCc1ccc2nc(NS(=O)(=O)c3c(C)nn(COC)c3C)sc2c1 ZINC000551385788 567501450 /nfs/dbraw/zinc/50/14/50/567501450.db2.gz PJEGRFICGBPNPD-UHFFFAOYSA-N 0 2 380.495 3.077 10 0 GGAELN COc1ccc(Br)cc1S(=O)(=O)Nc1cnc(CC2CC2)nc1 ZINC000551403770 567503503 /nfs/dbraw/zinc/50/35/03/567503503.db2.gz YPQXHJHGKPCUCF-UHFFFAOYSA-N 0 2 398.282 3.001 10 0 GGAELN COc1ccc2c(c1)CCC[C@@]2([NH2+]Cc1ccc(Br)o1)C(=O)[O-] ZINC000551421202 567505053 /nfs/dbraw/zinc/50/50/53/567505053.db2.gz XWSLKDZGCGQHFF-KRWDZBQOSA-N 0 2 380.238 3.457 10 0 GGAELN COC(=O)c1scc(C)c1S(=O)(=O)Nc1nnc(CCC(C)C)s1 ZINC000594726015 567505254 /nfs/dbraw/zinc/50/52/54/567505254.db2.gz KVZDAWOJLBHMTB-UHFFFAOYSA-N 0 2 389.524 3.084 10 0 GGAELN CCn1nccc1S(=O)(=O)Nc1nnc(-c2c(F)cccc2Cl)s1 ZINC000479164266 567511759 /nfs/dbraw/zinc/51/17/59/567511759.db2.gz VIJYENMWECUPBB-UHFFFAOYSA-N 0 2 387.849 3.015 10 0 GGAELN CC(C)(C)[N@@H+]1CCc2nc([N-]S(=O)(=O)c3c(F)cccc3F)sc2C1 ZINC000570920013 567523668 /nfs/dbraw/zinc/52/36/68/567523668.db2.gz BEJPVYPZHKCMMM-UHFFFAOYSA-N 0 2 387.477 3.379 10 0 GGAELN CC(C)(C)[N@H+]1CCc2nc([N-]S(=O)(=O)c3c(F)cccc3F)sc2C1 ZINC000570920013 567523673 /nfs/dbraw/zinc/52/36/73/567523673.db2.gz BEJPVYPZHKCMMM-UHFFFAOYSA-N 0 2 387.477 3.379 10 0 GGAELN O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)c1sccc1F ZINC000551701386 567530268 /nfs/dbraw/zinc/53/02/68/567530268.db2.gz ZEKNXMMOBJBLFV-UHFFFAOYSA-N 0 2 383.451 3.397 10 0 GGAELN COCCOc1ccc(F)cc1NS(=O)(=O)c1ccc2ncsc2c1 ZINC000479490670 567538779 /nfs/dbraw/zinc/53/87/79/567538779.db2.gz QLILJYWJJMWJNB-UHFFFAOYSA-N 0 2 382.438 3.261 10 0 GGAELN CC1(C)CC(NC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2O)C1 ZINC000620743355 567539869 /nfs/dbraw/zinc/53/98/69/567539869.db2.gz YLPFYIAPSOSGFC-UHFFFAOYSA-N 0 2 380.491 3.173 10 0 GGAELN Cc1noc(C)c1-c1nc(C)c(C(=O)N=c2nc(C3(C)CC3)[nH]s2)s1 ZINC000529695705 567540347 /nfs/dbraw/zinc/54/03/47/567540347.db2.gz CXVSCNHHAIIQLC-UHFFFAOYSA-N 0 2 375.479 3.301 10 0 GGAELN Cc1ccc(I)cc1C(=O)N=c1nc(C2(C)CC2)[nH]s1 ZINC000529698038 567541347 /nfs/dbraw/zinc/54/13/47/567541347.db2.gz KTOBELJEYHDTFF-UHFFFAOYSA-N 0 2 399.257 3.177 10 0 GGAELN O=C(c1cc(Br)c(F)cc1O)N1CCO[C@H](CC(F)(F)F)C1 ZINC000620781250 567541555 /nfs/dbraw/zinc/54/15/55/567541555.db2.gz QQXYMNGPHYLUBZ-SSDOTTSWSA-N 0 2 386.139 3.087 10 0 GGAELN COc1ccc(CCC(=O)N=c2nc(C3(C)CC3)[nH]s2)cc1Br ZINC000529702959 567541890 /nfs/dbraw/zinc/54/18/90/567541890.db2.gz HNYFSEXRJFUDIO-UHFFFAOYSA-N 0 2 396.310 3.354 10 0 GGAELN CC1(c2nc(=NC(=O)Cc3cn4cc(Cl)cc(Cl)c4n3)s[nH]2)CC1 ZINC000529703527 567542458 /nfs/dbraw/zinc/54/24/58/567542458.db2.gz FNPHEGDWXJBSMT-UHFFFAOYSA-N 0 2 382.276 3.147 10 0 GGAELN COc1ccc(C(=O)CCC(=O)N=c2nc(C3(C)CC3)[nH]s2)c(Cl)c1 ZINC000529700015 567542494 /nfs/dbraw/zinc/54/24/94/567542494.db2.gz WPDAUIYMZIXZOU-UHFFFAOYSA-N 0 2 379.869 3.275 10 0 GGAELN C[C@@H](Oc1ccccc1Br)C(=O)N=c1nc(C2(C)CC2)[nH]s1 ZINC000529704143 567543521 /nfs/dbraw/zinc/54/35/21/567543521.db2.gz IWNRYNNUQVSCAD-SECBINFHSA-N 0 2 382.283 3.180 10 0 GGAELN C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N=c1nc(C2(C)CC2)[nH]s1 ZINC000529704298 567544015 /nfs/dbraw/zinc/54/40/15/567544015.db2.gz OHCLQKWTIRJWKH-MRVPVSSYSA-N 0 2 399.303 3.075 10 0 GGAELN C[C@H](CN(C)C(=O)c1cc(Br)c(F)cc1O)C(=O)OC(C)(C)C ZINC000458409744 567546587 /nfs/dbraw/zinc/54/65/87/567546587.db2.gz ZNXXONRCPXRYDY-SECBINFHSA-N 0 2 390.249 3.344 10 0 GGAELN C[C@H]1CN(C(=O)c2cc(Br)c(F)cc2O)C[C@](C)(C(F)F)O1 ZINC000621120021 567559617 /nfs/dbraw/zinc/55/96/17/567559617.db2.gz RUJFTAZNFFYYLO-JKYUHCHBSA-N 0 2 382.176 3.179 10 0 GGAELN C[C@@H]1CN(C(=O)c2cc(Br)c(F)cc2O)C[C@](C)(C(F)F)O1 ZINC000621120022 567559957 /nfs/dbraw/zinc/55/99/57/567559957.db2.gz RUJFTAZNFFYYLO-NXSYQRQQSA-N 0 2 382.176 3.179 10 0 GGAELN C[C@H]1CN(C(=O)c2cc(Br)c(F)cc2O)C[C@@](C)(C(F)F)O1 ZINC000621120024 567560682 /nfs/dbraw/zinc/56/06/82/567560682.db2.gz RUJFTAZNFFYYLO-WJWGPLDTSA-N 0 2 382.176 3.179 10 0 GGAELN COc1cccc(OC(F)(F)F)c1S(=O)(=O)Nc1cnn(C(C)C)c1 ZINC000530134977 567571622 /nfs/dbraw/zinc/57/16/22/567571622.db2.gz SLBHUGFYDPQSDJ-UHFFFAOYSA-N 0 2 379.360 3.172 10 0 GGAELN COCc1cc(Cl)ccc1NS(=O)(=O)c1cc(C(F)(F)F)nn1C ZINC000530138155 567573778 /nfs/dbraw/zinc/57/37/78/567573778.db2.gz LCYQFENJZWPCRK-UHFFFAOYSA-N 0 2 383.779 3.040 10 0 GGAELN COCc1ccc(C(=O)Nc2nc(-c3ccc(Br)cc3F)n[nH]2)o1 ZINC000439245572 567575940 /nfs/dbraw/zinc/57/59/40/567575940.db2.gz JDLHTZHQWMIBPE-UHFFFAOYSA-N 0 2 395.188 3.365 10 0 GGAELN O=c1[nH]nc(C2CCN(c3nc4c(cccc4Br)s3)CC2)[nH]1 ZINC000621306417 567576067 /nfs/dbraw/zinc/57/60/67/567576067.db2.gz ZMPNUPUMFJHIRM-UHFFFAOYSA-N 0 2 380.271 3.267 10 0 GGAELN CC(C)CCc1ccc(NS(=O)(=O)c2cc(C(F)(F)F)nn2C)nc1 ZINC000530156684 567577462 /nfs/dbraw/zinc/57/74/62/567577462.db2.gz JDKUXRLZYMUVJU-UHFFFAOYSA-N 0 2 376.404 3.223 10 0 GGAELN CCCOc1cncc(NS(=O)(=O)c2ccc(Br)s2)c1 ZINC000530157233 567577843 /nfs/dbraw/zinc/57/78/43/567577843.db2.gz HEESSZQSMLTGKP-UHFFFAOYSA-N 0 2 377.285 3.495 10 0 GGAELN O=C([O-])[C@@H]1Cc2c(Br)cccc2C[N@H+]1Cc1cc(CO)ccc1F ZINC000530166393 567578621 /nfs/dbraw/zinc/57/86/21/567578621.db2.gz PCSCEYQXTIBFNW-KRWDZBQOSA-N 0 2 394.240 3.092 10 0 GGAELN O=C([O-])[C@@H]1Cc2c(Br)cccc2C[N@@H+]1Cc1cc(CO)ccc1F ZINC000530166393 567578628 /nfs/dbraw/zinc/57/86/28/567578628.db2.gz PCSCEYQXTIBFNW-KRWDZBQOSA-N 0 2 394.240 3.092 10 0 GGAELN O=C([O-])[C@H]1c2ccoc2CC[N@@H+]1Cc1ccc(I)cc1 ZINC000530166881 567580460 /nfs/dbraw/zinc/58/04/60/567580460.db2.gz SFHLDCKJFVQADI-CQSZACIVSA-N 0 2 383.185 3.068 10 0 GGAELN O=C([O-])[C@H]1c2ccoc2CC[N@H+]1Cc1ccc(I)cc1 ZINC000530166881 567580455 /nfs/dbraw/zinc/58/04/55/567580455.db2.gz SFHLDCKJFVQADI-CQSZACIVSA-N 0 2 383.185 3.068 10 0 GGAELN Cc1ccsc1-c1nc(=NC(=O)N2CCC[C@@H]2[C@H]2CCC[C@@H]2O)s[nH]1 ZINC000571754741 567586772 /nfs/dbraw/zinc/58/67/72/567586772.db2.gz VCRXBHRRXRRUMF-UPJWGTAASA-N 0 2 378.523 3.154 10 0 GGAELN O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)[C@H]1CCCC12CC2 ZINC000530261289 567587274 /nfs/dbraw/zinc/58/72/74/567587274.db2.gz JSYDMJXIGXMPBR-CQSZACIVSA-N 0 2 377.491 3.463 10 0 GGAELN CCc1ccc(S(=O)(=O)Nc2noc(COc3ccc(F)cc3)n2)s1 ZINC000480206395 567588335 /nfs/dbraw/zinc/58/83/35/567588335.db2.gz MONYKPCAMNMQPC-UHFFFAOYSA-N 0 2 383.426 3.212 10 0 GGAELN O=C(N=c1nc(-c2cccc(Cl)c2)[nH]s1)N1CCO[C@]2(CCSC2)C1 ZINC000571915022 567598310 /nfs/dbraw/zinc/59/83/10/567598310.db2.gz RLPHBTWUSGZYKT-MRXNPFEDSA-N 0 2 396.925 3.020 10 0 GGAELN O=C(Cc1ccc(Br)s1)Nc1cccc(-c2n[nH]c(=O)[nH]2)c1 ZINC000552623330 567599010 /nfs/dbraw/zinc/59/90/10/567599010.db2.gz JSBIFUDCLLPRJB-UHFFFAOYSA-N 0 2 379.239 3.183 10 0 GGAELN COC(=O)c1sccc1S(=O)(=O)Nc1ccc(O[C@@H]2CC2(F)F)cc1 ZINC000596020202 567599328 /nfs/dbraw/zinc/59/93/28/567599328.db2.gz FDQGZXSWCQFMGL-GFCCVEGCSA-N 0 2 389.401 3.122 10 0 GGAELN Clc1ccc(N2CC[C@H](CN=c3[nH]nc(C4CCOCC4)s3)C2)cc1 ZINC000645034220 567601077 /nfs/dbraw/zinc/60/10/77/567601077.db2.gz ZGZXHRFTFCPMOK-CYBMUJFWSA-N 0 2 378.929 3.446 10 0 GGAELN COc1cc(F)c(S(=O)(=O)N[C@H](c2nccs2)C(F)(F)F)c(F)c1 ZINC000645094463 567605286 /nfs/dbraw/zinc/60/52/86/567605286.db2.gz FGPVQVGDOLIDQL-SNVBAGLBSA-N 0 2 388.339 3.012 10 0 GGAELN Oc1c(F)cc(-c2noc(-c3cn(C4CCC4)nn3)n2)cc1Br ZINC000621808291 567612255 /nfs/dbraw/zinc/61/22/55/567612255.db2.gz DFGAMCIJKUWSQU-UHFFFAOYSA-N 0 2 380.177 3.327 10 0 GGAELN [O-]c1c(F)cc(-c2noc(Cc3cn4c([nH+]3)CCCC4)n2)cc1Br ZINC000621808775 567612404 /nfs/dbraw/zinc/61/24/04/567612404.db2.gz WGDZCZSABNLBMN-UHFFFAOYSA-N 0 2 393.216 3.467 10 0 GGAELN Oc1c(F)cc(-c2noc(-c3cn(CC4CC4)nn3)n2)cc1Br ZINC000621808850 567613743 /nfs/dbraw/zinc/61/37/43/567613743.db2.gz ZFMQIDXCZATMTG-UHFFFAOYSA-N 0 2 380.177 3.012 10 0 GGAELN CO[C@H]1CC[C@@H](C(=O)Nc2nc(-c3ccc(Br)cc3F)n[nH]2)C1 ZINC000621862349 567616330 /nfs/dbraw/zinc/61/63/30/567616330.db2.gz GLUZYHASIJYVRY-SCZZXKLOSA-N 0 2 383.221 3.127 10 0 GGAELN CCO[C@@H]1C[C@H]([NH2+]Cc2nnc(-c3ccc(Br)cc3)[nH]2)[C@@H]1SC ZINC000459458901 567625986 /nfs/dbraw/zinc/62/59/86/567625986.db2.gz HMPVTYNLLDOHOZ-GUTXKFCHSA-N 0 2 397.342 3.233 10 0 GGAELN C[C@@H](CN(C)C(=O)N=c1nc(-c2ccsc2)[nH]s1)C(=O)OC(C)(C)C ZINC000459496794 567630724 /nfs/dbraw/zinc/63/07/24/567630724.db2.gz YZPFWIRIKFNQSQ-JTQLQIEISA-N 0 2 382.511 3.130 10 0 GGAELN Cc1csc(-c2nnc(NS(=O)(=O)c3cccc4c3OCCC4)o2)c1 ZINC000622042809 567633474 /nfs/dbraw/zinc/63/34/74/567633474.db2.gz KWYHUQIVDFURAV-UHFFFAOYSA-N 0 2 377.447 3.232 10 0 GGAELN COCCc1ccc(S(=O)(=O)Nc2nnc(-c3cc(C)cs3)o2)cc1 ZINC000622042710 567633725 /nfs/dbraw/zinc/63/37/25/567633725.db2.gz HVCKKKGVHLKUHZ-UHFFFAOYSA-N 0 2 379.463 3.096 10 0 GGAELN COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1c[nH]nc1C1CC1 ZINC000572423552 567638702 /nfs/dbraw/zinc/63/87/02/567638702.db2.gz DNDNNKSMBOSYDQ-UHFFFAOYSA-N 0 2 390.248 3.181 10 0 GGAELN C[C@]1(C(F)F)CN(C(=O)c2cc(Br)cc(Cl)c2O)CCO1 ZINC000622187447 567643092 /nfs/dbraw/zinc/64/30/92/567643092.db2.gz QVSIXZHUGYPVIB-CYBMUJFWSA-N 0 2 384.604 3.304 10 0 GGAELN COCCOC1CCC(C(=O)N=c2nc(-c3sccc3C)[nH]s2)CC1 ZINC000480940239 567643797 /nfs/dbraw/zinc/64/37/97/567643797.db2.gz UPERWVSEZNWKCW-UHFFFAOYSA-N 0 2 381.523 3.157 10 0 GGAELN COCc1ccc(OC)c(S(=O)(=O)Nc2cc(Cl)c(Cl)cn2)c1 ZINC000506806012 567644852 /nfs/dbraw/zinc/64/48/52/567644852.db2.gz LIJXSNWTCDHUBD-UHFFFAOYSA-N 0 2 377.249 3.344 10 0 GGAELN COC(=O)c1cccc(Cc2cnc(NS(=O)(=O)c3ccsc3)s2)c1 ZINC000506850031 567646074 /nfs/dbraw/zinc/64/60/74/567646074.db2.gz DXJDUSFEDWQIOP-UHFFFAOYSA-N 0 2 394.499 3.383 10 0 GGAELN O=S(=O)(CCC[C@@H]1CCOC1)N[C@@H](CCc1ccccc1)C(F)(F)F ZINC000645642687 567651701 /nfs/dbraw/zinc/65/17/01/567651701.db2.gz KNCIJIMUSDILFD-CVEARBPZSA-N 0 2 379.444 3.286 10 0 GGAELN CCOc1cccnc1C(=O)Nc1nc(-c2ccccc2Br)n[nH]1 ZINC000531369733 567655022 /nfs/dbraw/zinc/65/50/22/567655022.db2.gz FNGLQGNQDFHFMH-UHFFFAOYSA-N 0 2 388.225 3.280 10 0 GGAELN O=S(=O)(CCCC1CCOCC1)N[C@@H](c1cc(F)ccc1F)C(F)F ZINC000645686796 567655553 /nfs/dbraw/zinc/65/55/53/567655553.db2.gz FDZPTCFUVGHNFZ-HNNXBMFYSA-N 0 2 383.407 3.397 10 0 GGAELN COC(=O)c1ccc(S(=O)(=O)Nc2ccc3ccccc3n2)cc1Cl ZINC000441383901 567662281 /nfs/dbraw/zinc/66/22/81/567662281.db2.gz UHCQGOJGVJTVLX-UHFFFAOYSA-N 0 2 376.821 3.476 10 0 GGAELN Cc1cc(S(=O)(=O)Nc2cnn(C)c2C(F)F)c(F)cc1Br ZINC000666303336 567664341 /nfs/dbraw/zinc/66/43/41/567664341.db2.gz FCSHUKGQMGNPCO-UHFFFAOYSA-N 0 2 398.204 3.369 10 0 GGAELN CCC(=O)N1CCCC[C@H]1C(=O)N=c1ccc(-c2ccc(Cl)s2)n[nH]1 ZINC000622929378 567668821 /nfs/dbraw/zinc/66/88/21/567668821.db2.gz OAWSTHCHRSSQCY-LBPRGKRZSA-N 0 2 378.885 3.010 10 0 GGAELN CC(=O)Nc1cc(F)c(S(=O)(=O)NC[C@@H](C)CC(F)F)c(F)c1Cl ZINC000645795863 567669095 /nfs/dbraw/zinc/66/90/95/567669095.db2.gz VIQAMQWYEFCBSZ-LURJTMIESA-N 0 2 390.786 3.146 10 0 GGAELN CCC(=O)N1CCCC[C@@H]1C(=O)N=c1ccc(-c2ccc(Cl)s2)n[nH]1 ZINC000622929377 567669083 /nfs/dbraw/zinc/66/90/83/567669083.db2.gz OAWSTHCHRSSQCY-GFCCVEGCSA-N 0 2 378.885 3.010 10 0 GGAELN C[C@@H](OC[C@@H]1CCCCO1)C(=O)N=c1ccc(-c2ccc(Cl)s2)n[nH]1 ZINC000622929273 567669149 /nfs/dbraw/zinc/66/91/49/567669149.db2.gz JUCZLTKRZKFHAH-NEPJUHHUSA-N 0 2 381.885 3.193 10 0 GGAELN Cc1nn(C)c(C)c1[C@@H](C)C(=O)N=c1ccc(-c2ccc(Cl)s2)n[nH]1 ZINC000622929599 567669201 /nfs/dbraw/zinc/66/92/01/567669201.db2.gz WIOKVCORNFJPNH-SECBINFHSA-N 0 2 375.885 3.373 10 0 GGAELN C[C@H](OC[C@@H]1CCCCO1)C(=O)N=c1ccc(-c2ccc(Cl)s2)n[nH]1 ZINC000622929275 567669309 /nfs/dbraw/zinc/66/93/09/567669309.db2.gz JUCZLTKRZKFHAH-RYUDHWBXSA-N 0 2 381.885 3.193 10 0 GGAELN O=C(CN1CCCCCCC1=O)N=c1ccc(-c2ccc(Cl)s2)n[nH]1 ZINC000622929546 567669326 /nfs/dbraw/zinc/66/93/26/567669326.db2.gz USOHAKFOTXMDCW-UHFFFAOYSA-N 0 2 378.885 3.012 10 0 GGAELN O=C(N=c1ccc(-c2ccc(Cl)s2)n[nH]1)[C@H]1CCCN1c1nccs1 ZINC000622929175 567669343 /nfs/dbraw/zinc/66/93/43/567669343.db2.gz GMJRMRRDZQFKCG-LLVKDONJSA-N 0 2 391.909 3.344 10 0 GGAELN CC[C@@H]1CN(C(=O)N=c2ccc(-c3ccc(Cl)s3)n[nH]2)C[C@@H](C)[S@]1=O ZINC000597018153 567671952 /nfs/dbraw/zinc/67/19/52/567671952.db2.gz DGECFHGKEJXICH-GILQPQBKSA-N 0 2 398.941 3.044 10 0 GGAELN C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1sccc1Br ZINC000531705951 567674462 /nfs/dbraw/zinc/67/44/62/567674462.db2.gz DZBFKBPPKHUTOO-TZMCWYRMSA-N 0 2 388.375 3.104 10 0 GGAELN CC1(C)CCN(C(=O)N=c2ccc(-c3ccc(Cl)s3)n[nH]2)CC[S@]1=O ZINC000597022568 567674545 /nfs/dbraw/zinc/67/45/45/567674545.db2.gz WJAAMBQJNGSNEE-RUZDIDTESA-N 0 2 398.941 3.045 10 0 GGAELN COC(=O)CCCCCNC(=O)N=c1ccc(-c2ccc(Cl)s2)n[nH]1 ZINC000597021203 567675273 /nfs/dbraw/zinc/67/52/73/567675273.db2.gz OWDBOUIHYOVVJZ-UHFFFAOYSA-N 0 2 382.873 3.135 10 0 GGAELN Cc1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cc3nn[nH]n3)cc2)c1Cl ZINC000481617484 567691424 /nfs/dbraw/zinc/69/14/24/567691424.db2.gz TXXVXCADLCBELI-UHFFFAOYSA-N 0 2 398.275 3.207 10 0 GGAELN Cn1ncc(Cl)c1S(=O)(=O)Nc1ccc2nc(C(F)F)sc2c1 ZINC000507628834 567692005 /nfs/dbraw/zinc/69/20/05/567692005.db2.gz GYNYAAWLRQVWFK-UHFFFAOYSA-N 0 2 378.813 3.422 10 0 GGAELN CCc1ccc(S(=O)(=O)Nc2cnc3c(Br)cccn23)cc1 ZINC000460647033 567696612 /nfs/dbraw/zinc/69/66/12/567696612.db2.gz FWBDTPQTJIZLGB-UHFFFAOYSA-N 0 2 380.267 3.460 10 0 GGAELN CC(=O)c1ccc(S(=O)(=O)Nc2cnc3c(Br)cccn23)cc1 ZINC000460654278 567696905 /nfs/dbraw/zinc/69/69/05/567696905.db2.gz YHRYAPJRSCBGAC-UHFFFAOYSA-N 0 2 394.250 3.100 10 0 GGAELN Cc1cc(F)ccc1S(=O)(=O)Nc1cnc2c(Br)cccn12 ZINC000460652255 567697112 /nfs/dbraw/zinc/69/71/12/567697112.db2.gz VDUOWPASNWRACY-UHFFFAOYSA-N 0 2 384.230 3.345 10 0 GGAELN CCOc1ccc(S(=O)(=O)Nc2cnc3c(Br)cccn23)cc1 ZINC000460648377 567697153 /nfs/dbraw/zinc/69/71/53/567697153.db2.gz KWNYLPWKCKBFSJ-UHFFFAOYSA-N 0 2 396.266 3.296 10 0 GGAELN CO[C@@H]1CCC[C@H]1[C@@H]1COCC[N@@H+]1Cc1ccc(C(=O)[O-])cc1Br ZINC000573452837 567715160 /nfs/dbraw/zinc/71/51/60/567715160.db2.gz YXJKJFBGHWORSJ-BHYGNILZSA-N 0 2 398.297 3.163 10 0 GGAELN CO[C@@H]1CCC[C@H]1[C@@H]1COCC[N@H+]1Cc1ccc(C(=O)[O-])cc1Br ZINC000573452837 567715163 /nfs/dbraw/zinc/71/51/63/567715163.db2.gz YXJKJFBGHWORSJ-BHYGNILZSA-N 0 2 398.297 3.163 10 0 GGAELN COC(=O)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)cn1 ZINC000507918505 567715811 /nfs/dbraw/zinc/71/58/11/567715811.db2.gz OTEIWVFJASZOBL-UHFFFAOYSA-N 0 2 394.758 3.341 10 0 GGAELN CCc1ccc(S(=O)(=O)Nc2ccc(F)c(N3CCCNC3=O)c2)s1 ZINC000573519810 567719029 /nfs/dbraw/zinc/71/90/29/567719029.db2.gz IHTLONYIFQEVQY-UHFFFAOYSA-N 0 2 383.470 3.170 10 0 GGAELN O=S(=O)(Nc1ncc(-c2cccnc2)s1)c1ccc(Br)o1 ZINC000508069865 567725263 /nfs/dbraw/zinc/72/52/63/567725263.db2.gz SJJBCYVKURNGMR-UHFFFAOYSA-N 0 2 386.252 3.361 10 0 GGAELN COc1ccc(S(=O)(=O)Nc2ncc(-c3cccnc3)s2)c(C)c1F ZINC000508070256 567725660 /nfs/dbraw/zinc/72/56/60/567725660.db2.gz UQJXIZJUYZHYMA-UHFFFAOYSA-N 0 2 379.438 3.462 10 0 GGAELN CC(C)(C)c1ccc(S(=O)(=O)Nc2cccc([C@H]3CNC(=O)C3)c2)s1 ZINC000532673284 567727165 /nfs/dbraw/zinc/72/71/65/567727165.db2.gz QZPBENGSASAVMG-CYBMUJFWSA-N 0 2 378.519 3.450 10 0 GGAELN O=S(=O)(Nc1ncc(-c2ccccn2)s1)c1cnccc1C(F)(F)F ZINC000508085955 567727910 /nfs/dbraw/zinc/72/79/10/567727910.db2.gz QRVFVEWZPFISKP-UHFFFAOYSA-N 0 2 386.380 3.420 10 0 GGAELN Cc1ccc(S(=O)(=O)Nc2nnc(-c3cccc(Br)c3)o2)o1 ZINC000508109813 567730434 /nfs/dbraw/zinc/73/04/34/567730434.db2.gz MCGPOIIXNJRESW-UHFFFAOYSA-N 0 2 384.211 3.201 10 0 GGAELN O=S(=O)(Nc1ncc(-c2cccnc2)s1)c1ccc(C(F)(F)F)nc1 ZINC000508126491 567731334 /nfs/dbraw/zinc/73/13/34/567731334.db2.gz DVEDKVNCNDZKPV-UHFFFAOYSA-N 0 2 386.380 3.420 10 0 GGAELN CC[C@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC)C(F)(F)F ZINC000508210719 567738120 /nfs/dbraw/zinc/73/81/20/567738120.db2.gz WJBFKLPBRDHORE-VIFPVBQESA-N 0 2 394.198 3.399 10 0 GGAELN Cc1cnc(N)c(S(=O)(=O)Nc2ccc(Cl)cc2OCC(F)F)c1 ZINC000554689421 567742090 /nfs/dbraw/zinc/74/20/90/567742090.db2.gz JFFRNVNFMXGZBR-UHFFFAOYSA-N 0 2 377.800 3.070 10 0 GGAELN COCc1csc(NS(=O)(=O)c2c(F)cccc2OC(F)(F)F)n1 ZINC000554727249 567745076 /nfs/dbraw/zinc/74/50/76/567745076.db2.gz LVMOFQSCQKEGCD-UHFFFAOYSA-N 0 2 386.348 3.128 10 0 GGAELN CCc1ccc2nc(NS(=O)(=O)c3cnc(NC(C)=O)s3)sc2c1 ZINC000554726211 567745161 /nfs/dbraw/zinc/74/51/61/567745161.db2.gz SGTCRWYYJICDFW-UHFFFAOYSA-N 0 2 382.492 3.074 10 0 GGAELN O=C(N[C@H](CO)c1ccc(Br)c(F)c1)c1c(O)cc(F)cc1F ZINC000647036981 567756126 /nfs/dbraw/zinc/75/61/26/567756126.db2.gz PREQFWWOGNHWPK-GFCCVEGCSA-N 0 2 390.155 3.035 10 0 GGAELN COc1cc(Br)cc(S(=O)(=O)Nc2cnc(C)nc2C2CC2)c1 ZINC000533218140 567759607 /nfs/dbraw/zinc/75/96/07/567759607.db2.gz UREYNUNIGZZFEP-UHFFFAOYSA-N 0 2 398.282 3.234 10 0 GGAELN CSc1ccc(Cl)cc1NS(=O)(=O)c1coc(C(=O)N(C)C)c1C ZINC000647125578 567761448 /nfs/dbraw/zinc/76/14/48/567761448.db2.gz DJHIPTYNOJXDQE-UHFFFAOYSA-N 0 2 388.898 3.466 10 0 GGAELN COc1cc(Cl)c(C)cc1NS(=O)(=O)c1coc(C(=O)N(C)C)c1C ZINC000647122796 567761666 /nfs/dbraw/zinc/76/16/66/567761666.db2.gz XZGUWXLJSVUVSJ-UHFFFAOYSA-N 0 2 386.857 3.061 10 0 GGAELN CCOc1cc(Br)ccc1NS(=O)(=O)C[C@H](OC)C1CC1 ZINC000647128789 567762704 /nfs/dbraw/zinc/76/27/04/567762704.db2.gz ORGWDLGVZFUJKX-AWEZNQCLSA-N 0 2 378.288 3.015 10 0 GGAELN CC(C)(C)c1csc([N-]S(=O)(=O)c2ccccc2Cn2cc[nH+]c2)n1 ZINC000555002494 567762859 /nfs/dbraw/zinc/76/28/59/567762859.db2.gz BLBAJYJOZBZFLW-UHFFFAOYSA-N 0 2 376.507 3.486 10 0 GGAELN CC1(C)SC[C@H]1NC(=O)N=c1ccc(-c2ccc(Br)s2)n[nH]1 ZINC000574222087 567763701 /nfs/dbraw/zinc/76/37/01/567763701.db2.gz XVZGABJAPOFXPP-SNVBAGLBSA-N 0 2 399.339 3.405 10 0 GGAELN CO[C@@H](CS(=O)(=O)Nc1cc(Cl)ccc1OC(F)F)C1CCOCC1 ZINC000647134645 567764903 /nfs/dbraw/zinc/76/49/03/567764903.db2.gz ZUMPQXKLRVOYHW-AWEZNQCLSA-N 0 2 399.843 3.125 10 0 GGAELN CSc1cc(NS(=O)(=O)c2coc(C(=O)N(C)C)c2C)ccc1Cl ZINC000647134395 567765039 /nfs/dbraw/zinc/76/50/39/567765039.db2.gz CQINEKOJNYHKQS-UHFFFAOYSA-N 0 2 388.898 3.466 10 0 GGAELN CC(C)(C)c1ccc(NS(=O)(=O)c2cnn(CC(F)(F)F)c2)c(O)c1 ZINC000443527922 567765853 /nfs/dbraw/zinc/76/58/53/567765853.db2.gz HUMUGPVHOSWCLR-UHFFFAOYSA-N 0 2 377.388 3.249 10 0 GGAELN COC(=O)c1ccc(S(=O)(=O)Nc2cccc(Cl)c2O)cc1Cl ZINC000533392675 567767263 /nfs/dbraw/zinc/76/72/63/567767263.db2.gz ZIPQZKZXHQIUOM-UHFFFAOYSA-N 0 2 376.217 3.286 10 0 GGAELN O=S(=O)(Nc1cc(C(F)(F)F)[nH]n1)c1ccc(OCC(F)(F)F)cc1 ZINC000533550047 567773758 /nfs/dbraw/zinc/77/37/58/567773758.db2.gz SUAWRHOTRMUGNO-UHFFFAOYSA-N 0 2 389.277 3.170 10 0 GGAELN CO[C@@H](CS(=O)(=O)Nc1nc2c(s1)c(C)ccc2C)C1CCOCC1 ZINC000647265340 567775126 /nfs/dbraw/zinc/77/51/26/567775126.db2.gz YPIBWCFTUZOIFX-AWEZNQCLSA-N 0 2 384.523 3.096 10 0 GGAELN O=S(=O)(CCCC1CCOCC1)Nc1nc(CN2CCCCC2)cs1 ZINC000647265111 567775195 /nfs/dbraw/zinc/77/51/95/567775195.db2.gz CSEDWXDHGRSLRT-UHFFFAOYSA-N 0 2 387.571 3.078 10 0 GGAELN Cn1cc(Br)c2ccc(S(=O)(=O)Nc3noc(C4CC4)n3)cc21 ZINC000647271473 567776460 /nfs/dbraw/zinc/77/64/60/567776460.db2.gz LZYPNVLFRSIFPO-UHFFFAOYSA-N 0 2 397.254 3.002 10 0 GGAELN CC(C)c1nc(NS(=O)(=O)c2ccc3c(Br)cn(C)c3c2)no1 ZINC000647271580 567776817 /nfs/dbraw/zinc/77/68/17/567776817.db2.gz ZRTYXNZMAJGJNQ-UHFFFAOYSA-N 0 2 399.270 3.248 10 0 GGAELN O=S(=O)(N[C@@H](c1nccs1)C(F)(F)F)c1cc(F)c(F)c(F)c1 ZINC000555412554 567781788 /nfs/dbraw/zinc/78/17/88/567781788.db2.gz AXTJYGCEIJTCQJ-VIFPVBQESA-N 0 2 376.303 3.142 10 0 GGAELN O=S(=O)(Nc1nnc(C2CC2)o1)c1cccc(Br)c1Cl ZINC000574613939 567788323 /nfs/dbraw/zinc/78/83/23/567788323.db2.gz XDVSVUOPKFMQLR-UHFFFAOYSA-N 0 2 378.635 3.164 10 0 GGAELN O=C(Cc1csc2ccc(Cl)cc12)N1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000555557833 567789327 /nfs/dbraw/zinc/78/93/27/567789327.db2.gz FCDZFFXZEXXXQW-JTQLQIEISA-N 0 2 376.869 3.327 10 0 GGAELN CC(C)Oc1ccc(=NCc2cn(-c3cccc(Cl)c3Cl)nn2)[nH]n1 ZINC000574684367 567791545 /nfs/dbraw/zinc/79/15/45/567791545.db2.gz DPXIRUILGWQLGB-UHFFFAOYSA-N 0 2 379.251 3.185 10 0 GGAELN COC(=O)C1(C(=O)N=c2nc(-c3sccc3C)[nH]s2)CC2(CCC2)C1 ZINC000598831800 567793211 /nfs/dbraw/zinc/79/32/11/567793211.db2.gz MDJZMAZYLBKBFB-UHFFFAOYSA-N 0 2 377.491 3.059 10 0 GGAELN O=C(Cc1ccc(NS(=O)(=O)c2cccs2)cc1)N[C@H]1[C@@H]2CCC[C@@H]21 ZINC000555637597 567793571 /nfs/dbraw/zinc/79/35/71/567793571.db2.gz XHVYZVINTSXJQA-HWWDLCQESA-N 0 2 376.503 3.006 10 0 GGAELN O=C(Cc1ccc(NS(=O)(=O)c2cccs2)cc1)N[C@@H]1[C@@H]2CCC[C@@H]21 ZINC000555637602 567793651 /nfs/dbraw/zinc/79/36/51/567793651.db2.gz XHVYZVINTSXJQA-JLVBRIDZSA-N 0 2 376.503 3.006 10 0 GGAELN COC(=O)[C@@H]1CCC[C@H](C(=O)N=c2ccc(-c3ccc(Cl)s3)n[nH]2)C1 ZINC000598867374 567796452 /nfs/dbraw/zinc/79/64/52/567796452.db2.gz COJHGRRDUCCBEC-WDEREUQCSA-N 0 2 379.869 3.198 10 0 GGAELN Cc1c(NS(=O)(=O)c2c(Cl)cnn2C)cnn1-c1ccc(Cl)cc1 ZINC000574788239 567797285 /nfs/dbraw/zinc/79/72/85/567797285.db2.gz UGQRUOBKMBDJGA-UHFFFAOYSA-N 0 2 386.264 3.022 10 0 GGAELN C[C@@H]1CCCc2nc(S(=O)(=O)Nc3nnc(-c4ccccc4)s3)cn21 ZINC000668149729 567798104 /nfs/dbraw/zinc/79/81/04/567798104.db2.gz LUMWCWNRLLMZQX-LLVKDONJSA-N 0 2 375.479 3.100 10 0 GGAELN Cc1ccc(-c2nsc(NS(=O)(=O)c3cn4c(n3)CCC[C@H]4C)n2)s1 ZINC000668149733 567798158 /nfs/dbraw/zinc/79/81/58/567798158.db2.gz NBDWUHPJQYTCIN-SECBINFHSA-N 0 2 395.535 3.470 10 0 GGAELN C[C@H]1C[C@@H](O)CN(Cc2cc(Br)c(O)c(Br)c2)C1 ZINC000668228314 567802480 /nfs/dbraw/zinc/80/24/80/567802480.db2.gz FUKGDYRKYVQUEK-WCBMZHEXSA-N 0 2 379.092 3.120 10 0 GGAELN CCc1ccc2nc(NS(=O)(=O)c3cc(C(=O)OC)oc3C)sc2c1 ZINC000534206571 567803141 /nfs/dbraw/zinc/80/31/41/567803141.db2.gz CWTIJXLNTSEFRB-UHFFFAOYSA-N 0 2 380.447 3.348 10 0 GGAELN C[C@H]1CN(Cc2cc(Br)c(O)c(Br)c2)C[C@H](C)C1O ZINC000668554302 567813838 /nfs/dbraw/zinc/81/38/38/567813838.db2.gz NGXIXICJRKMOKR-IUCAKERBSA-N 0 2 393.119 3.366 10 0 GGAELN CC(C)COc1cccc(-c2nnc(CCC(=O)NC3CCCC3)c(=O)[nH]2)c1 ZINC000034765663 570333535 /nfs/dbraw/zinc/33/35/35/570333535.db2.gz YRRCWPNHVXKBFL-UHFFFAOYSA-N 0 2 384.480 3.270 10 0 GGAELN CC[C@H](C)NC(=O)CCc1nnc(-c2cccc(OCC3CCC3)c2)[nH]c1=O ZINC000034765673 570333705 /nfs/dbraw/zinc/33/37/05/570333705.db2.gz HMSWSWBQDIWCPJ-AWEZNQCLSA-N 0 2 384.480 3.270 10 0 GGAELN COc1ccc(OC)c(NS(=O)(=O)c2cc(-c3noc(C)n3)sc2C)c1 ZINC000035539133 570391167 /nfs/dbraw/zinc/39/11/67/570391167.db2.gz XRMCJLASYYDFCG-UHFFFAOYSA-N 0 2 395.462 3.233 10 0 GGAELN COc1cc(NS(=O)(=O)c2ccccc2F)cc2sc(NC(C)=O)nc21 ZINC000033007953 570399332 /nfs/dbraw/zinc/39/93/32/570399332.db2.gz GFJYLFXZYXEXFE-UHFFFAOYSA-N 0 2 395.437 3.203 10 0 GGAELN CCOC(=O)[C@]1(C(F)(F)F)Nc2ccccc2C(=O)N1C(=O)c1ccccc1 ZINC000005585725 570447771 /nfs/dbraw/zinc/44/77/71/570447771.db2.gz MSAOWOODVPJSGD-SFHVURJKSA-N 0 2 392.333 3.216 10 0 GGAELN CC[C@H](C)NC(=O)C1(c2ccc(NS(=O)(=O)c3c(C)noc3C)cc2)CC1 ZINC000033274554 570523030 /nfs/dbraw/zinc/52/30/30/570523030.db2.gz DOIRTCRBADRGFK-LBPRGKRZSA-N 0 2 391.493 3.039 10 0 GGAELN CCOc1ccc(-c2nnc(CCC(=O)N[C@H](C)c3ccccc3)c(=O)[nH]2)cc1 ZINC000034762886 570543993 /nfs/dbraw/zinc/54/39/93/570543993.db2.gz CTMVUOKHTHZLAR-OAHLLOKOSA-N 0 2 392.459 3.453 10 0 GGAELN COc1ccc(NS(=O)(=O)c2ccc(CC(=O)N3CCCCC3)s2)cc1 ZINC000064919694 570591046 /nfs/dbraw/zinc/59/10/46/570591046.db2.gz ICWSRYQZFSVMHX-UHFFFAOYSA-N 0 2 394.518 3.113 10 0 GGAELN CCOC(=O)c1cccc(NS(=O)(=O)c2ccc(-c3nnc(C)o3)s2)c1 ZINC000064919954 570591239 /nfs/dbraw/zinc/59/12/39/570591239.db2.gz ZCYJJFOTBBEUOZ-UHFFFAOYSA-N 0 2 393.446 3.084 10 0 GGAELN CCC(=O)Nc1nc2c(cc(NS(=O)(=O)c3c(C)noc3C)cc2C)s1 ZINC000033007731 570620980 /nfs/dbraw/zinc/62/09/80/570620980.db2.gz GPPKQOVQVAKVPB-UHFFFAOYSA-N 0 2 394.478 3.359 10 0 GGAELN COc1cc(NS(=O)(=O)c2ccc(-c3ccno3)s2)cc(OC)c1OC ZINC000065031101 570651617 /nfs/dbraw/zinc/65/16/17/570651617.db2.gz OKARYSLBABKSEH-UHFFFAOYSA-N 0 2 396.446 3.230 10 0 GGAELN COc1ccc(-c2nnc(SCC(=O)Nc3cccc(F)c3)[nH]c2=O)cc1 ZINC000032778626 570811781 /nfs/dbraw/zinc/81/17/81/570811781.db2.gz IILHPALJGYSXLQ-UHFFFAOYSA-N 0 2 386.408 3.123 10 0 GGAELN CCCC(=O)Nc1nc2cc(NS(=O)(=O)c3c(C)noc3C)ccc2s1 ZINC000033116474 570814004 /nfs/dbraw/zinc/81/40/04/570814004.db2.gz XFFPFYBTTGKZDT-UHFFFAOYSA-N 0 2 394.478 3.441 10 0 GGAELN CCCCn1c(=O)c(C2=NN(C(C)=O)[C@@H](c3ccccc3)C2)c(O)[nH]c1=S ZINC000101456678 570824147 /nfs/dbraw/zinc/82/41/47/570824147.db2.gz JOVDPYWAYPNOAM-OAHLLOKOSA-N 0 2 386.477 3.109 10 0 GGAELN CCCCn1c(O)c(C2=NN(C(C)=O)[C@@H](c3ccccc3)C2)c(=O)[nH]c1=S ZINC000101456678 570824148 /nfs/dbraw/zinc/82/41/48/570824148.db2.gz JOVDPYWAYPNOAM-OAHLLOKOSA-N 0 2 386.477 3.109 10 0 GGAELN CCOc1ccc(NCc2nn3c(nc(C)c(Cc4ccccc4)c3=O)[nH]2)cc1 ZINC000101802824 570835414 /nfs/dbraw/zinc/83/54/14/570835414.db2.gz GGVGBYJZEWPKEV-UHFFFAOYSA-N 0 2 389.459 3.328 10 0 GGAELN O=C(c1ccccc1)c1cc(C(=O)c2ccccc2O)cn(-c2cccnc2)c1=O ZINC000012542859 570843263 /nfs/dbraw/zinc/84/32/63/570843263.db2.gz GKKWIUKFBBRNJH-UHFFFAOYSA-N 0 2 396.402 3.400 10 0 GGAELN O=C(Nc1ccccc1SCc1cc(=O)n2nc[nH]c2n1)c1ccc(F)cc1 ZINC000102621468 570854436 /nfs/dbraw/zinc/85/44/36/570854436.db2.gz XCJVOACPOIYNDX-UHFFFAOYSA-N 0 2 395.419 3.101 10 0 GGAELN Cn1cc[nH+]c1[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000725240678 570994524 /nfs/dbraw/zinc/99/45/24/570994524.db2.gz VCGAXAOTTMWEFD-SFHVURJKSA-N 0 2 377.400 3.085 10 0 GGAELN Cc1nn(C)c(C)c1S(=O)(=O)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000007709079 571019347 /nfs/dbraw/zinc/01/93/47/571019347.db2.gz XXWJGAQVSNEDKQ-UHFFFAOYSA-N 0 2 384.461 3.090 10 0 GGAELN O=S(=O)(Nc1noc(-c2cccs2)n1)c1cnccc1C(F)(F)F ZINC000527488596 650676771 /nfs/dbraw/zinc/67/67/71/650676771.db2.gz BGNLBFUTHZHROB-UHFFFAOYSA-N 0 2 376.341 3.013 10 0 GGAELN COc1ccc(NC(=O)CC2SC(N3CCC[C@H](C)C3)=NC2=O)cc1Cl ZINC000055117714 1406889447 /nfs/dbraw/zinc/88/94/47/1406889447.db2.gz HOGRPWGURUQKTI-NHYWBVRUSA-N 0 2 395.912 3.407 10 0 GGAELN COc1cccc(CNC(=O)CCCn2c(=O)c3sccc3[nH]c2=S)c1 ZINC000002925493 1398321838 /nfs/dbraw/zinc/32/18/38/1398321838.db2.gz RITUBPXJKVDZRG-UHFFFAOYSA-N 0 2 389.502 3.226 10 0 GGAELN C[C@@H]1CCCN(C(=O)c2ccc3c(c2)[nH]c(=S)n(C[C@H]2CCCO2)c3=O)C1 ZINC000002970823 1398323366 /nfs/dbraw/zinc/32/33/66/1398323366.db2.gz KVPHJCCKNWYHFM-UKRRQHHQSA-N 0 2 387.505 3.110 10 0 GGAELN C[C@@H]1CCCN(C(=O)c2ccc3c(c2)[nH]c(=S)n(C[C@@H]2CCCO2)c3=O)C1 ZINC000002970825 1398323849 /nfs/dbraw/zinc/32/38/49/1398323849.db2.gz KVPHJCCKNWYHFM-HIFRSBDPSA-N 0 2 387.505 3.110 10 0 GGAELN CCOc1cc2[nH]c(=S)n(CC(OCC)OCC)c(=O)c2cc1OCC ZINC000003010292 1398324483 /nfs/dbraw/zinc/32/44/83/1398324483.db2.gz VEAHMMNYUJTCHK-UHFFFAOYSA-N 0 2 382.482 3.256 10 0 GGAELN O=C(NC1CCCCC1)c1ccc2c(c1)[nH]c(=S)n(C[C@H]1CCCO1)c2=O ZINC000003630222 1398375169 /nfs/dbraw/zinc/37/51/69/1398375169.db2.gz BMZPIHBICAJBRI-OAHLLOKOSA-N 0 2 387.505 3.301 10 0 GGAELN COc1ccc(S(=O)(=O)Nc2cc(OC)c(Cl)cc2OC)c(OC)c1 ZINC000014255945 1399095151 /nfs/dbraw/zinc/09/51/51/1399095151.db2.gz ZDMJGDCDGCFBCZ-UHFFFAOYSA-N 0 2 387.841 3.175 10 0 GGAELN COCCn1c(=O)c2ccc(C(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)cc2[nH]c1=S ZINC000020645276 1399351360 /nfs/dbraw/zinc/35/13/60/1399351360.db2.gz IXEZOTMWUCMYNV-DVOMOZLQSA-N 0 2 389.521 3.260 10 0 GGAELN CS(=O)(=O)Nc1nc(CC(=O)Nc2ccc3c(c2)Cc2ccccc2-3)cs1 ZINC000029974483 1400390241 /nfs/dbraw/zinc/39/02/41/1400390241.db2.gz SYQQKLDUOANTBL-UHFFFAOYSA-N 0 2 399.497 3.267 10 0 GGAELN N#CC(C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000049394794 1405376152 /nfs/dbraw/zinc/37/61/52/1405376152.db2.gz HOUVOAPVIZKRAB-BRWVUGGUSA-N 0 2 388.406 3.316 10 0 GGAELN N#C[C@H](C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000049394794 1405376159 /nfs/dbraw/zinc/37/61/59/1405376159.db2.gz HOUVOAPVIZKRAB-BRWVUGGUSA-N 0 2 388.406 3.316 10 0 GGAELN COc1ccccc1C1(CNC(=O)c2c(O)cc(F)cc2F)CCOCC1 ZINC000066051765 1408779240 /nfs/dbraw/zinc/77/92/40/1408779240.db2.gz VYKLGGDVKPSUSB-UHFFFAOYSA-N 0 2 377.387 3.157 10 0 GGAELN CC1(C)c2cc(S(=O)(=O)Nc3ccnn3C3CCCCC3)ccc2NC1=O ZINC000079072874 1409954978 /nfs/dbraw/zinc/95/49/78/1409954978.db2.gz SYIGFVNBDKCLFX-UHFFFAOYSA-N 0 2 388.493 3.419 10 0 GGAELN O=S(=O)(Nc1ccc(Oc2ncccn2)cc1)c1cc(F)c(F)cc1F ZINC000105591053 1411088564 /nfs/dbraw/zinc/08/85/64/1411088564.db2.gz LUTHDPYMHREZAW-UHFFFAOYSA-N 0 2 381.335 3.487 10 0 GGAELN COC(=O)c1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(Cl)nc1 ZINC000121713724 1414233132 /nfs/dbraw/zinc/23/31/32/1414233132.db2.gz VBHARKYCNJSHHJ-UHFFFAOYSA-N 0 2 394.758 3.341 10 0 GGAELN CC(C)[NH+]1CCN(c2ccc(C(=O)N3CC[C@@H](C)[C@@H](n4cc[nH+]c4)C3)cc2)CC1 ZINC000123407316 1414720710 /nfs/dbraw/zinc/72/07/10/1414720710.db2.gz CTDPOZHFPCWLHQ-KNQAVFIVSA-N 0 2 395.551 3.137 10 0 GGAELN Cc1coc(NS(=O)(=O)c2cc(Br)ccc2Br)n1 ZINC000127131444 1415666955 /nfs/dbraw/zinc/66/69/55/1415666955.db2.gz VHTNNLSLTKVNIK-UHFFFAOYSA-N 0 2 396.060 3.309 10 0 GGAELN O=S(=O)(Nc1ccc(Cl)c(Br)c1)c1cnc(Cl)nc1 ZINC000128250668 1415948151 /nfs/dbraw/zinc/94/81/51/1415948151.db2.gz PRGLHCWTROBABA-UHFFFAOYSA-N 0 2 383.054 3.347 10 0 GGAELN O=S(=O)(Nc1ccnc(Cl)c1)c1cc(Br)cnc1Cl ZINC000149233449 1417773340 /nfs/dbraw/zinc/77/33/40/1417773340.db2.gz YRARJUXRPIFISN-UHFFFAOYSA-N 0 2 383.054 3.347 10 0 GGAELN Cc1cc(Oc2ccc(NC(=O)c3cccc(Nc4nn[nH]n4)c3)cc2)n[nH]1 ZINC001149690076 1429760426 /nfs/dbraw/zinc/76/04/26/1429760426.db2.gz QTQBVDZHPCZSAW-UHFFFAOYSA-N 0 2 376.380 3.019 10 0 GGAELN O=C(N[C@@H]1COc2c1ccc(Cl)c2Cl)c1cccc(Nc2nn[nH]n2)c1 ZINC001137107529 1424943966 /nfs/dbraw/zinc/94/39/66/1424943966.db2.gz SJWZFRDNNRRVEI-GFCCVEGCSA-N 0 2 391.218 3.114 10 0 GGAELN CCOC(=O)C(C)(C)n1cc(NS(=O)(=O)c2ccc3ccccc3c2)cn1 ZINC000164864780 1425147924 /nfs/dbraw/zinc/14/79/24/1425147924.db2.gz DYZFDMYVVDEXPN-UHFFFAOYSA-N 0 2 387.461 3.135 10 0 GGAELN C[C@H](NC(=O)c1cccc(Nc2nn[nH]n2)c1)c1cccc(N2CCCC2)c1 ZINC000901013425 1426494063 /nfs/dbraw/zinc/49/40/63/1426494063.db2.gz VFWDPLREKROTSG-AWEZNQCLSA-N 0 2 377.452 3.035 10 0 GGAELN C[C@@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)c1cccc(Nc2nn[nH]n2)c1 ZINC000907589181 1426516419 /nfs/dbraw/zinc/51/64/19/1426516419.db2.gz SKOFFDMRVDOMBI-PXAZEXFGSA-N 0 2 398.854 3.199 10 0 GGAELN N#CCc1ccccc1NS(=O)(=O)c1cc(Br)cnc1Cl ZINC000193359349 1432985242 /nfs/dbraw/zinc/98/52/42/1432985242.db2.gz YCURDJVSGMZUQP-UHFFFAOYSA-N 0 2 386.658 3.364 10 0 GGAELN CN(C[C@H]1COc2ccccc2O1)C(=O)C1=NN(c2ccc(Cl)cc2)CC1=O ZINC000193685398 1433040401 /nfs/dbraw/zinc/04/04/01/1433040401.db2.gz BFXMDTNELAZWJE-HNNXBMFYSA-N 0 2 399.834 3.143 10 0 GGAELN O=C(NCC[C@@H]1C(=O)Nc2ccccc21)C1=NN(c2ccc(Cl)cc2)CC1=O ZINC000193708990 1433044630 /nfs/dbraw/zinc/04/46/30/1433044630.db2.gz DUFDYGLOTPYSKB-HNNXBMFYSA-N 0 2 396.834 3.087 10 0 GGAELN COc1ccc(CN(C)C(=O)C2=NN(c3ccc(Cl)cc3)CC2=O)cc1O ZINC000194323937 1433161535 /nfs/dbraw/zinc/16/15/35/1433161535.db2.gz HTPXKUFETMRKCP-UHFFFAOYSA-N 0 2 387.823 3.218 10 0 GGAELN CCOC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)nc2Cl)c1 ZINC000195440130 1433329838 /nfs/dbraw/zinc/32/98/38/1433329838.db2.gz CCVONAONKFFAAH-UHFFFAOYSA-N 0 2 375.233 3.366 10 0 GGAELN CC1=C(C)C[C@H](C(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)[C@H](C(=O)[O-])C1 ZINC000230139662 1433372506 /nfs/dbraw/zinc/37/25/06/1433372506.db2.gz HDXDGJAFSMKENE-FGKJDPMHSA-N 0 2 382.504 3.291 10 0 GGAELN COc1ccc(NC(=O)c2cccc(Nc3nn[nH]n3)c2)c(C(F)(F)F)c1 ZINC001141506683 1441584943 /nfs/dbraw/zinc/58/49/43/1441584943.db2.gz KBPNFLXRMDNKBQ-UHFFFAOYSA-N 0 2 378.314 3.223 10 0 GGAELN CN(C[C@@H]1CCCO[C@H]1c1ccccc1)C(=O)c1cccc(Nc2nn[nH]n2)c1 ZINC000900445059 1443400970 /nfs/dbraw/zinc/40/09/70/1443400970.db2.gz AZLHUUWEAFNFJQ-HKUYNNGSSA-N 0 2 392.463 3.183 10 0 GGAELN O=C(N[C@H]1COc2c1ccc(Cl)c2Cl)c1cccc(Nc2nn[nH]n2)c1 ZINC001137107530 1443918318 /nfs/dbraw/zinc/91/83/18/1443918318.db2.gz SJWZFRDNNRRVEI-LBPRGKRZSA-N 0 2 391.218 3.114 10 0 GGAELN CCc1nc2c(s1)[C@H](N(C)C(=O)c1cccc(Nc3nn[nH]n3)c1)CCC2 ZINC000901089567 1446663996 /nfs/dbraw/zinc/66/39/96/1446663996.db2.gz KZLJXYJJERSJBZ-CQSZACIVSA-N 0 2 383.481 3.112 10 0 GGAELN O=C(Nc1cccc(OCC(F)(F)F)c1)c1cccc(Nc2nn[nH]n2)c1 ZINC001142754798 1449207956 /nfs/dbraw/zinc/20/79/56/1449207956.db2.gz QJASXWRRJJANLE-UHFFFAOYSA-N 0 2 378.314 3.137 10 0 GGAELN Cc1ccc(CC2CCN(C(=O)c3cccc(Nc4nn[nH]n4)c3)CC2)cc1 ZINC001137803132 1449711738 /nfs/dbraw/zinc/71/17/38/1449711738.db2.gz IVDVCXXYMRSBAO-UHFFFAOYSA-N 0 2 376.464 3.347 10 0 GGAELN C[C@@](NC(=O)Cc1cn2c([nH+]1)CCCC2)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000652071475 939835516 /nfs/dbraw/zinc/83/55/16/939835516.db2.gz XPMDZUHDRZCAAZ-SFHVURJKSA-N 0 2 396.274 3.185 10 0 GGAELN CC[N@@H+]1CC[C@H](NC(=O)[C@H](C(=O)[O-])C2CCCC2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000663046054 939850909 /nfs/dbraw/zinc/85/09/09/939850909.db2.gz PDEWFNBBAKVXEC-JZXOWHBKSA-N 0 2 398.425 3.246 10 0 GGAELN CC[N@H+]1CC[C@H](NC(=O)[C@H](C(=O)[O-])C2CCCC2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000663046054 939850910 /nfs/dbraw/zinc/85/09/10/939850910.db2.gz PDEWFNBBAKVXEC-JZXOWHBKSA-N 0 2 398.425 3.246 10 0 GGAELN CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C(=O)[O-])C2CCCC2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000663046056 939850988 /nfs/dbraw/zinc/85/09/88/939850988.db2.gz PDEWFNBBAKVXEC-XYJFISCASA-N 0 2 398.425 3.246 10 0 GGAELN CC[N@H+]1CC[C@H](NC(=O)[C@@H](C(=O)[O-])C2CCCC2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000663046056 939850991 /nfs/dbraw/zinc/85/09/91/939850991.db2.gz PDEWFNBBAKVXEC-XYJFISCASA-N 0 2 398.425 3.246 10 0 GGAELN O=C([O-])[C@H](C(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1)C1CC1 ZINC000663104604 939855360 /nfs/dbraw/zinc/85/53/60/939855360.db2.gz LDRSUZFLYJRICO-NRFANRHFSA-N 0 2 389.455 3.325 10 0 GGAELN CC(=O)c1ccc(NC(=O)Cc2c(C)[nH]n(-c3nc(C)c(C)s3)c2=O)cc1 ZINC000015858730 210175141 /nfs/dbraw/zinc/17/51/41/210175141.db2.gz UNWVWCHMSSWNDH-UHFFFAOYSA-N 0 2 384.461 3.343 10 0 GGAELN CCOc1ccc(C(=O)Nc2ccc3nc(NS(C)(=O)=O)sc3c2)cc1 ZINC000015861972 210174742 /nfs/dbraw/zinc/17/47/42/210174742.db2.gz RBDNTTQGYSFUEP-UHFFFAOYSA-N 0 2 391.474 3.319 10 0 GGAELN CS(=O)(=O)Nc1nc2ccc(NC(=O)CSc3ccccc3)cc2s1 ZINC000015861990 210173750 /nfs/dbraw/zinc/17/37/50/210173750.db2.gz VHTGIGWAHTVKGS-UHFFFAOYSA-N 0 2 393.515 3.399 10 0 GGAELN CNC(=O)Nc1ccc2nc(NS(=O)(=O)c3ccc(C)cc3)sc2c1 ZINC000013349124 210058961 /nfs/dbraw/zinc/05/89/61/210058961.db2.gz SBGATNUNFYFRFR-UHFFFAOYSA-N 0 2 376.463 3.157 10 0 GGAELN CS(=O)(=O)Nc1nc2ccc(NC(=O)NCc3ccc(F)cc3)cc2s1 ZINC000013348848 210058822 /nfs/dbraw/zinc/05/88/22/210058822.db2.gz RNKZCRNHFKBUHD-UHFFFAOYSA-N 0 2 394.453 3.129 10 0 GGAELN CNC(=O)Nc1cc2sc(NS(=O)(=O)c3ccccc3)nc2c(C)c1 ZINC000013349515 210058834 /nfs/dbraw/zinc/05/88/34/210058834.db2.gz VBVGNRKRBNUFIM-UHFFFAOYSA-N 0 2 376.463 3.157 10 0 GGAELN CS(=O)(=O)Nc1nc2ccc(NC(=O)Nc3ccc(F)cc3)cc2s1 ZINC000013348762 210059373 /nfs/dbraw/zinc/05/93/73/210059373.db2.gz IVCDYJLWUTVHNW-UHFFFAOYSA-N 0 2 380.426 3.451 10 0 GGAELN COc1cccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)on3)cc2)c1 ZINC000000945487 209282475 /nfs/dbraw/zinc/28/24/75/209282475.db2.gz KGDJAIMVGGJVAA-UHFFFAOYSA-N 0 2 387.417 3.045 10 0 GGAELN CC1=C(C)C[C@H](C(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)[C@@H](C(=O)[O-])C1 ZINC000222407276 209187628 /nfs/dbraw/zinc/18/76/28/209187628.db2.gz HDXDGJAFSMKENE-PEIUBTGKSA-N 0 2 382.504 3.291 10 0 GGAELN CCOc1ccc(-n2c(O)c3sc4nc(C(C)C)ccc4c(N)c-3c2=O)cc1 ZINC000261526736 212031389 /nfs/dbraw/zinc/03/13/89/212031389.db2.gz IEVNSZUMUGYMCQ-GOSISDBHSA-N 0 2 395.484 3.321 10 0 GGAELN CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(-c3cc[nH]n3)s2)cc1 ZINC000085664836 211177488 /nfs/dbraw/zinc/17/74/88/211177488.db2.gz XKBCRKZPOOXFCC-UHFFFAOYSA-N 0 2 377.447 3.116 10 0 GGAELN CCOC(=O)c1ccc(NS(=O)(=O)c2cc(-c3ccno3)oc2C)cc1 ZINC000032971313 210609344 /nfs/dbraw/zinc/60/93/44/210609344.db2.gz BXKUPCHGRTXOQG-UHFFFAOYSA-N 0 2 376.390 3.221 10 0 GGAELN COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])[N@H+](CC(=O)Nc1cccc(C)c1)CC2 ZINC000021045926 210376148 /nfs/dbraw/zinc/37/61/48/210376148.db2.gz AFGQJFRWOLAXFZ-GOSISDBHSA-N 0 2 398.459 3.025 10 0 GGAELN COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])[N@@H+](CC(=O)Nc1cccc(C)c1)CC2 ZINC000021045926 210376151 /nfs/dbraw/zinc/37/61/51/210376151.db2.gz AFGQJFRWOLAXFZ-GOSISDBHSA-N 0 2 398.459 3.025 10 0 GGAELN O=c1ccc(-c2ccc(S(=O)(=O)Nc3cccc4c3CCCC4)s2)n[nH]1 ZINC000020574769 210348621 /nfs/dbraw/zinc/34/86/21/210348621.db2.gz KFYFVBNCJNHWJD-UHFFFAOYSA-N 0 2 387.486 3.178 10 0 GGAELN CSc1cccc(NS(=O)(=O)c2ccc(-c3ccc(=O)[nH]n3)s2)c1 ZINC000020574741 210347615 /nfs/dbraw/zinc/34/76/15/210347615.db2.gz RQBIIGQMFJGGFK-UHFFFAOYSA-N 0 2 379.488 3.021 10 0 GGAELN O=S(=O)(c1cccc(Cl)c1[O-])N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000632288589 450603448 /nfs/dbraw/zinc/60/34/48/450603448.db2.gz JCHURAVYSIYJMC-UHFFFAOYSA-N 0 2 395.912 3.147 10 0 GGAELN COC(=O)c1ccc2c(c1)[nH]c(=S)n(Cc1ccc(F)c(Cl)c1)c2=O ZINC000073660807 522185349 /nfs/dbraw/zinc/18/53/49/522185349.db2.gz PIWYDXSHYHTYHN-UHFFFAOYSA-N 0 2 378.812 3.313 10 0 GGAELN COC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1ccc(Br)cc1 ZINC000032585452 564402859 /nfs/dbraw/zinc/40/28/59/564402859.db2.gz UZEOCRSDXRKVFO-UHFFFAOYSA-N 0 2 388.239 3.246 10 0 GGAELN Cn1c(CNC(=O)c2cc(Br)cc(Cl)c2O)nnc1C1CCC1 ZINC000119023300 564251117 /nfs/dbraw/zinc/25/11/17/564251117.db2.gz MSHFUOOASQWATA-UHFFFAOYSA-N 0 2 399.676 3.134 10 0 GGAELN COC(=O)c1ccc(NS(=O)(=O)c2ccc(-c3cc(C)no3)s2)cc1 ZINC000009228244 564253213 /nfs/dbraw/zinc/25/32/13/564253213.db2.gz PUPGLWWBDKXYIE-UHFFFAOYSA-N 0 2 378.431 3.299 10 0 GGAELN COC(=O)c1ccc(NS(=O)(=O)c2ccc(-c3cc(C)[nH]n3)s2)cc1 ZINC000009686595 564253941 /nfs/dbraw/zinc/25/39/41/564253941.db2.gz AWRYEEXXSCQBEL-UHFFFAOYSA-N 0 2 377.447 3.034 10 0 GGAELN CCc1ccc2nc(NS(=O)(=O)c3cccc(S(C)(=O)=O)c3)sc2c1 ZINC000119665672 564282071 /nfs/dbraw/zinc/28/20/71/564282071.db2.gz LMPUOLLQDYAPRM-UHFFFAOYSA-N 0 2 396.515 3.063 10 0 GGAELN COCc1csc(NS(=O)(=O)c2cc(C)ccc2Br)n1 ZINC000120329098 564315869 /nfs/dbraw/zinc/31/58/69/564315869.db2.gz DKQUSMPVYQJAPY-UHFFFAOYSA-N 0 2 377.285 3.161 10 0 GGAELN Cc1cc(S(=O)(=O)Nc2nnc(C(F)(F)F)s2)c(Cl)cc1F ZINC000121184995 564358005 /nfs/dbraw/zinc/35/80/05/564358005.db2.gz UNKIHINQXXLTPP-UHFFFAOYSA-N 0 2 375.756 3.459 10 0 GGAELN NC(=O)c1ccc(NS(=O)(=O)c2ccc(Br)s2)cc1Cl ZINC000031720961 564392069 /nfs/dbraw/zinc/39/20/69/564392069.db2.gz KKHFACSXKILJSI-UHFFFAOYSA-N 0 2 395.687 3.064 10 0 GGAELN Cc1c(NS(=O)(=O)c2ccccc2S(C)(=O)=O)cccc1C(F)(F)F ZINC000122223023 564405480 /nfs/dbraw/zinc/40/54/80/564405480.db2.gz DQNSAVWRKTWHGR-UHFFFAOYSA-N 0 2 393.408 3.218 10 0 GGAELN CC(C)CNC(=O)CSc1nnc(-c2cc(Cl)sc2Cl)c(=O)[nH]1 ZINC000032778458 564405759 /nfs/dbraw/zinc/40/57/59/564405759.db2.gz JYZNWAYXNMKNHI-UHFFFAOYSA-N 0 2 393.321 3.477 10 0 GGAELN CC(C)CNC(=O)C1(c2ccc(NS(=O)(=O)c3cccs3)cc2)CC1 ZINC000033115536 564410559 /nfs/dbraw/zinc/41/05/59/564410559.db2.gz LKCFFFDMDQIRFF-UHFFFAOYSA-N 0 2 378.519 3.353 10 0 GGAELN CCCCNC(=O)C1(c2ccc(NS(=O)(=O)c3cccs3)cc2)CC1 ZINC000033115557 564411017 /nfs/dbraw/zinc/41/10/17/564411017.db2.gz RGBAYXLHVOZTHR-UHFFFAOYSA-N 0 2 378.519 3.497 10 0 GGAELN COc1ccc(Br)cc1S(=O)(=O)Nc1cc(Cl)ccn1 ZINC000122667956 564422743 /nfs/dbraw/zinc/42/27/43/564422743.db2.gz HXKDFHZWHSWTKJ-UHFFFAOYSA-N 0 2 377.647 3.307 10 0 GGAELN Cc1cc(S(=O)(=O)Nc2ccc(N(C)C)nc2)sc1Br ZINC000123134026 564439087 /nfs/dbraw/zinc/43/90/87/564439087.db2.gz NFUUPGGFHWBSNC-UHFFFAOYSA-N 0 2 376.301 3.081 10 0 GGAELN Cn1ccnc1[C@@H](O)C1CCN(C(=O)c2ccc(Cl)c(Cl)c2O)CC1 ZINC000125073172 564502019 /nfs/dbraw/zinc/50/20/19/564502019.db2.gz CJYIMVMKXYHWEZ-AWEZNQCLSA-N 0 2 384.263 3.018 10 0 GGAELN Cn1ccnc1[C@H](O)C1CCN(C(=O)c2ccc(Cl)c(Cl)c2O)CC1 ZINC000125072951 564502117 /nfs/dbraw/zinc/50/21/17/564502117.db2.gz CJYIMVMKXYHWEZ-CQSZACIVSA-N 0 2 384.263 3.018 10 0 GGAELN Cc1cc(C)n(-c2ccc(NS(=O)(=O)c3c(F)cccc3Cl)cn2)n1 ZINC000125488741 564516790 /nfs/dbraw/zinc/51/67/90/564516790.db2.gz AALNUFUBQOHZIN-UHFFFAOYSA-N 0 2 380.832 3.477 10 0 GGAELN Cc1nn(C)c(Cl)c1S(=O)(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000047329273 564518295 /nfs/dbraw/zinc/51/82/95/564518295.db2.gz MLZYGLOMCUSHNW-UHFFFAOYSA-N 0 2 386.207 3.438 10 0 GGAELN CSCCC(=O)N[C@H](C)c1ccccc1NS(=O)(=O)c1cccs1 ZINC000125698489 564523276 /nfs/dbraw/zinc/52/32/76/564523276.db2.gz FYVUAPBBIAXANX-GFCCVEGCSA-N 0 2 384.548 3.479 10 0 GGAELN Cc1c(CS(C)(=O)=O)cccc1NS(=O)(=O)c1c(F)cccc1Cl ZINC000126106396 564537011 /nfs/dbraw/zinc/53/70/11/564537011.db2.gz IQFIKTNQWLVMAH-UHFFFAOYSA-N 0 2 391.873 3.133 10 0 GGAELN Cc1nc(C)n(-c2ccccc2NS(=O)(=O)c2c(F)cccc2Cl)n1 ZINC000126290577 564543997 /nfs/dbraw/zinc/54/39/97/564543997.db2.gz VPMRYANTFGOVTD-UHFFFAOYSA-N 0 2 380.832 3.477 10 0 GGAELN Cc1cc(NS(=O)(=O)c2cccc(Cl)c2C)n(-c2ccc(C)nn2)n1 ZINC000126339101 564545765 /nfs/dbraw/zinc/54/57/65/564545765.db2.gz OHHSCEYCCUCZOS-UHFFFAOYSA-N 0 2 377.857 3.042 10 0 GGAELN CCCc1cc(NS(=O)(=O)c2c3ccccc3sc2C(=O)OC)[nH]n1 ZINC000126514367 564551383 /nfs/dbraw/zinc/55/13/83/564551383.db2.gz DEHNLZZWSPDAQV-UHFFFAOYSA-N 0 2 379.463 3.164 10 0 GGAELN CCc1ccc(S(=O)(=O)Nc2cc(CN3CCOCC3)ccc2C)s1 ZINC000127329038 564581255 /nfs/dbraw/zinc/58/12/55/564581255.db2.gz HHCQZDIEFKSOLS-UHFFFAOYSA-N 0 2 380.535 3.252 10 0 GGAELN Cc1nc(NS(=O)(=O)c2ccc(F)c(Br)c2)cc(C2CC2)n1 ZINC000127457290 564584610 /nfs/dbraw/zinc/58/46/10/564584610.db2.gz ITWLTHMVQGFYNB-UHFFFAOYSA-N 0 2 386.246 3.365 10 0 GGAELN CN(C(=O)c1ccc(Cl)c(Cl)c1O)[C@H]1CCCN(c2cccnn2)C1 ZINC000127830708 564598308 /nfs/dbraw/zinc/59/83/08/564598308.db2.gz XTOBCFBLOHANBF-NSHDSACASA-N 0 2 381.263 3.230 10 0 GGAELN O=C(NCCCC1CC1)c1ccc(NS(=O)(=O)c2cccs2)cc1O ZINC000128415285 564618452 /nfs/dbraw/zinc/61/84/52/564618452.db2.gz GBKOLFFFDIRRDB-UHFFFAOYSA-N 0 2 380.491 3.175 10 0 GGAELN CCc1ccc(S(=O)(=O)Nc2ccc(Sc3nncn3C)cc2)s1 ZINC000055579352 564624361 /nfs/dbraw/zinc/62/43/61/564624361.db2.gz CBPYXHCHPMDDCG-UHFFFAOYSA-N 0 2 380.520 3.391 10 0 GGAELN CCS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccccc2OC(C)C)cc1 ZINC000055590311 564625032 /nfs/dbraw/zinc/62/50/32/564625032.db2.gz DVDSCYZXYYHVKV-UHFFFAOYSA-N 0 2 383.491 3.068 10 0 GGAELN CCCOc1ccc(Cl)cc1NS(=O)(=O)c1ccc(C(=O)NC)cc1 ZINC000055642874 564627326 /nfs/dbraw/zinc/62/73/26/564627326.db2.gz YMWYVKPBMYEPFH-UHFFFAOYSA-N 0 2 382.869 3.289 10 0 GGAELN CC(C)n1cnc(S(=O)(=O)Nc2ncc(Cc3ccc(F)cc3)s2)c1 ZINC000129131109 564638660 /nfs/dbraw/zinc/63/86/60/564638660.db2.gz ILDHQZXUAOQDNS-UHFFFAOYSA-N 0 2 380.470 3.451 10 0 GGAELN O=C(c1ccc(Cl)c(Cl)c1[O-])N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000130834681 564693583 /nfs/dbraw/zinc/69/35/83/564693583.db2.gz BSKCEVHKCVGVQU-UHFFFAOYSA-N 0 2 381.259 3.363 10 0 GGAELN O=C(Cc1ccc(NS(=O)(=O)c2cccs2)cc1)N1CCCSCC1 ZINC000060847848 564702161 /nfs/dbraw/zinc/70/21/61/564702161.db2.gz XGIWHECFINERDC-UHFFFAOYSA-N 0 2 396.559 3.057 10 0 GGAELN CCc1ccc(S(=O)(=O)Nc2cccc(NC(=O)OCCOC)c2)s1 ZINC000063181510 564715159 /nfs/dbraw/zinc/71/51/59/564715159.db2.gz YDSQSEQRAXAULG-UHFFFAOYSA-N 0 2 384.479 3.306 10 0 GGAELN CCc1nc2sc(C)nn2c1S(=O)(=O)Nc1ccc(OC)c(Cl)c1 ZINC000065183869 564740284 /nfs/dbraw/zinc/74/02/84/564740284.db2.gz PDELAYRQTAYCNW-UHFFFAOYSA-N 0 2 386.886 3.124 10 0 GGAELN Cc1ccc(Cl)cc1NS(=O)(=O)c1cc(-c2ccc(=O)[nH]n2)cs1 ZINC000065119284 564740754 /nfs/dbraw/zinc/74/07/54/564740754.db2.gz MLOMAJHNPQYSGW-UHFFFAOYSA-N 0 2 381.866 3.261 10 0 GGAELN Cc1cc(Cl)ccc1NS(=O)(=O)c1cc(-c2ccc(=O)n(C)n2)cs1 ZINC000065119434 564740778 /nfs/dbraw/zinc/74/07/78/564740778.db2.gz WQCOGDKCVIUOIV-UHFFFAOYSA-N 0 2 395.893 3.271 10 0 GGAELN O=C(NC[C@H](O)COc1cccc(Cl)c1Cl)c1c(O)cc(F)cc1F ZINC000066054032 564755003 /nfs/dbraw/zinc/75/50/03/564755003.db2.gz KKYJHDIFXJLHQC-VIFPVBQESA-N 0 2 392.185 3.147 10 0 GGAELN COc1ccc(Br)cc1S(=O)(=O)Nc1ccnn1CC(C)C ZINC000066249924 564759288 /nfs/dbraw/zinc/75/92/88/564759288.db2.gz VSTCYJJNZGMSCS-UHFFFAOYSA-N 0 2 388.287 3.111 10 0 GGAELN CCOC(=O)Cc1csc(NS(=O)(=O)c2cccc3ccccc32)n1 ZINC000135863838 564842087 /nfs/dbraw/zinc/84/20/87/564842087.db2.gz OBFRWCVXUAAEQG-UHFFFAOYSA-N 0 2 376.459 3.203 10 0 GGAELN COC(=O)c1ccc(S(=O)(=O)Nc2cccc3cccnc32)c(Cl)c1 ZINC000072071313 564861059 /nfs/dbraw/zinc/86/10/59/564861059.db2.gz XQTUCBCTKFYJRY-UHFFFAOYSA-N 0 2 376.821 3.476 10 0 GGAELN COC(=O)c1ccc(S(=O)(=O)Nc2ccnn2[C@@H](C)C2CC2)cc1Cl ZINC000137414617 564862358 /nfs/dbraw/zinc/86/23/58/564862358.db2.gz KHLIGCSARDVBFH-JTQLQIEISA-N 0 2 383.857 3.095 10 0 GGAELN Cc1cnc(NS(=O)(=O)c2ccc(CCNC(=O)CC(C)C)s2)s1 ZINC000093928127 564894623 /nfs/dbraw/zinc/89/46/23/564894623.db2.gz HVFBPSWLFRMEHQ-UHFFFAOYSA-N 0 2 387.552 3.019 10 0 GGAELN COc1cccc(-c2nsc(NS(=O)(=O)c3ccc(C)cc3F)n2)c1 ZINC000152501570 564961412 /nfs/dbraw/zinc/96/14/12/564961412.db2.gz QDZWKOJLACQBFE-UHFFFAOYSA-N 0 2 379.438 3.462 10 0 GGAELN O=C(NCCC1=CCCC1)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000152487126 564961732 /nfs/dbraw/zinc/96/17/32/564961732.db2.gz CPGQHYOJZCYIAS-UHFFFAOYSA-N 0 2 377.491 3.174 10 0 GGAELN COc1cccc(-c2nsc(NS(=O)(=O)c3cc(F)ccc3F)n2)c1 ZINC000152506524 564962354 /nfs/dbraw/zinc/96/23/54/564962354.db2.gz RQDBIFDCNSILDQ-UHFFFAOYSA-N 0 2 383.401 3.293 10 0 GGAELN COc1cccc(-c2nsc(NS(=O)(=O)c3cc(C)cc(F)c3)n2)c1 ZINC000152504667 564962794 /nfs/dbraw/zinc/96/27/94/564962794.db2.gz WZXSGTITQZRJAY-UHFFFAOYSA-N 0 2 379.438 3.462 10 0 GGAELN Cc1nn(C)c(Cl)c1S(=O)(=O)Nc1cnn(-c2ccccc2Cl)c1 ZINC000106723366 564987558 /nfs/dbraw/zinc/98/75/58/564987558.db2.gz DLHUMIIHYYIPEP-UHFFFAOYSA-N 0 2 386.264 3.022 10 0 GGAELN CS(=O)(=O)Cc1cccc(CNC(=O)c2ccc(Cl)c(Cl)c2O)c1 ZINC000106913829 564991425 /nfs/dbraw/zinc/99/14/25/564991425.db2.gz RWHCIPMORWRUSQ-UHFFFAOYSA-N 0 2 388.272 3.174 10 0 GGAELN Cc1cc(S(=O)(=O)Nc2cc(C3CC3)nn2-c2ncccn2)c(C)s1 ZINC000112496993 565064058 /nfs/dbraw/zinc/06/40/58/565064058.db2.gz RZIFGNYYPNYERV-UHFFFAOYSA-N 0 2 375.479 3.019 10 0 GGAELN Cn1cc(NS(=O)(=O)c2cccc(OC(F)(F)F)c2F)c(C2CC2)n1 ZINC000292152050 565101101 /nfs/dbraw/zinc/10/11/01/565101101.db2.gz VJPFDWIYGPAKRT-UHFFFAOYSA-N 0 2 379.335 3.136 10 0 GGAELN CC(C)(C)c1nnc(CNC(=O)N=c2nc(-c3ccsc3)[nH]s2)s1 ZINC000369622938 565103401 /nfs/dbraw/zinc/10/34/01/565103401.db2.gz PAMVYIDJJSXMAT-UHFFFAOYSA-N 0 2 380.524 3.159 10 0 GGAELN O=C(N[C@@H](CO)c1cccc(Br)c1)c1cc(F)c(F)c(O)c1F ZINC000183913620 565104468 /nfs/dbraw/zinc/10/44/68/565104468.db2.gz FLEZNWHSPLMLTB-NSHDSACASA-N 0 2 390.155 3.035 10 0 GGAELN O=C(N[C@H](CO)c1cccc(Br)c1)c1cc(F)c(F)c(O)c1F ZINC000183913600 565104733 /nfs/dbraw/zinc/10/47/33/565104733.db2.gz FLEZNWHSPLMLTB-LLVKDONJSA-N 0 2 390.155 3.035 10 0 GGAELN COc1ccc(Br)cc1S(=O)(=O)Nc1sc(C)nc1C ZINC000267516378 565120703 /nfs/dbraw/zinc/12/07/03/565120703.db2.gz DIXOVHDNRMNAHN-UHFFFAOYSA-N 0 2 377.285 3.332 10 0 GGAELN O=C(NCc1ccnc(OCC(F)(F)F)c1)c1cc(F)c(O)c(Cl)c1 ZINC000184263422 565124166 /nfs/dbraw/zinc/12/41/66/565124166.db2.gz KJNTVYNFSQRBTI-UHFFFAOYSA-N 0 2 378.709 3.451 10 0 GGAELN CCC(CC)c1nnc(NS(=O)(=O)c2c(C)oc(C)c2C(=O)OC)s1 ZINC000267651011 565126198 /nfs/dbraw/zinc/12/61/98/565126198.db2.gz LHDAMMUAVZTRPR-UHFFFAOYSA-N 0 2 387.483 3.239 10 0 GGAELN O=C(c1ccsc1)N1CCCN(C(=O)c2cc(F)c(O)c(Cl)c2)CC1 ZINC000184296151 565127136 /nfs/dbraw/zinc/12/71/36/565127136.db2.gz OSBAEYOAVUYQRN-UHFFFAOYSA-N 0 2 382.844 3.235 10 0 GGAELN O=C(N[C@@H]1CCN(c2ccccc2Cl)C1=O)c1cc(F)c(O)c(Cl)c1 ZINC000184395319 565133788 /nfs/dbraw/zinc/13/37/88/565133788.db2.gz JWRAEBWLYMCXBM-CYBMUJFWSA-N 0 2 383.206 3.373 10 0 GGAELN CS(=O)(=O)Cc1cc(F)ccc1NC(=O)c1cc(F)c(O)c(Cl)c1 ZINC000184497623 565139492 /nfs/dbraw/zinc/13/94/92/565139492.db2.gz SKTIQYAHQXFYGU-UHFFFAOYSA-N 0 2 375.780 3.121 10 0 GGAELN CC(C)(C)SCC(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000268046291 565139542 /nfs/dbraw/zinc/13/95/42/565139542.db2.gz ZZPSMEFABAIJBS-UHFFFAOYSA-N 0 2 385.536 3.414 10 0 GGAELN Cn1cc(NS(=O)(=O)c2ccccc2Br)c(-c2ccccn2)n1 ZINC000370539108 565148444 /nfs/dbraw/zinc/14/84/44/565148444.db2.gz PXDNYVOJJAFNJX-UHFFFAOYSA-N 0 2 393.266 3.045 10 0 GGAELN O=C(NCc1n[nH]c(-c2ccc(Br)cc2)n1)c1c(O)cccc1F ZINC000184884048 565163839 /nfs/dbraw/zinc/16/38/39/565163839.db2.gz HSSFNRUXRJENML-UHFFFAOYSA-N 0 2 391.200 3.009 10 0 GGAELN O=C(NCc1nc(-c2ccc(Br)cc2)n[nH]1)c1c(O)cccc1F ZINC000184884048 565163844 /nfs/dbraw/zinc/16/38/44/565163844.db2.gz HSSFNRUXRJENML-UHFFFAOYSA-N 0 2 391.200 3.009 10 0 GGAELN COCc1csc(NS(=O)(=O)c2cccc(C)c2Br)n1 ZINC000158453610 565169971 /nfs/dbraw/zinc/16/99/71/565169971.db2.gz LXNLXQNSMVASOB-UHFFFAOYSA-N 0 2 377.285 3.161 10 0 GGAELN O=C(N[C@H]1CCCN(c2cccnc2)C1=O)c1ccc(Cl)c(Cl)c1O ZINC000185023014 565171241 /nfs/dbraw/zinc/17/12/41/565171241.db2.gz MDZUIUGAUUVECA-ZDUSSCGKSA-N 0 2 380.231 3.019 10 0 GGAELN O=S(=O)(Nc1cccc(-c2ncon2)c1)c1ccc(Br)s1 ZINC000158763235 565181554 /nfs/dbraw/zinc/18/15/54/565181554.db2.gz OQLKXMCAQZZBCC-UHFFFAOYSA-N 0 2 386.252 3.361 10 0 GGAELN CC(=O)Nc1cc(F)c(S(=O)(=O)NCCC2=CCCC2)c(F)c1Cl ZINC000159100718 565193818 /nfs/dbraw/zinc/19/38/18/565193818.db2.gz SFOJGBJGZJRDLC-UHFFFAOYSA-N 0 2 378.828 3.355 10 0 GGAELN CN1C(=O)C[C@@H](C(=O)Nc2cc(Cl)c(O)c(Cl)c2)[C@@H]1c1cccnc1 ZINC000159302939 565202218 /nfs/dbraw/zinc/20/22/18/565202218.db2.gz ONXHGRQSYIGSDA-ABAIWWIYSA-N 0 2 380.231 3.252 10 0 GGAELN CC[C@H](C)N(OC)C(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1O ZINC000270842393 565229967 /nfs/dbraw/zinc/22/99/67/565229967.db2.gz IEWNYHLFOKGLOX-NSHDSACASA-N 0 2 384.479 3.057 10 0 GGAELN Cc1cc(S(=O)(=O)Nc2cccc(Cl)c2S(C)(=O)=O)c(C)s1 ZINC000186104341 565240797 /nfs/dbraw/zinc/24/07/97/565240797.db2.gz PYRWSSOZBFXFQP-UHFFFAOYSA-N 0 2 379.912 3.223 10 0 GGAELN COc1cc(C(F)(F)F)cc(S(=O)(=O)Nc2cn(C)nc2C2CC2)c1 ZINC000295175333 565249378 /nfs/dbraw/zinc/24/93/78/565249378.db2.gz HNQGFVCPNYPKRX-UHFFFAOYSA-N 0 2 375.372 3.126 10 0 GGAELN O=C(c1cc(Br)c(F)cc1O)N1CC[C@@H](OCc2ccncc2)C1 ZINC000295241909 565254378 /nfs/dbraw/zinc/25/43/78/565254378.db2.gz LRLSTTMTJGWATA-GFCCVEGCSA-N 0 2 395.228 3.120 10 0 GGAELN CCc1ccc2nc(NS(=O)(=O)c3cn(C)nc3C(F)(F)F)sc2c1 ZINC000295298108 565257824 /nfs/dbraw/zinc/25/78/24/565257824.db2.gz MAAXBVXEFVUXOC-UHFFFAOYSA-N 0 2 390.412 3.412 10 0 GGAELN O=C(N=c1ccc(-c2ccc(Br)s2)n[nH]1)[C@@H]1CCCOCC1 ZINC000373797706 565303834 /nfs/dbraw/zinc/30/38/34/565303834.db2.gz PKVLUAZMAYYXOP-SNVBAGLBSA-N 0 2 382.283 3.145 10 0 GGAELN CC(=O)c1ccc(NS(=O)(=O)c2cnn(CC(F)(F)F)c2)cc1Cl ZINC000187044894 565305287 /nfs/dbraw/zinc/30/52/87/565305287.db2.gz DHAVVHTXNCLTQL-UHFFFAOYSA-N 0 2 381.763 3.102 10 0 GGAELN O=C(c1cc(Br)c(F)cc1O)N1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000296281118 565310460 /nfs/dbraw/zinc/31/04/60/565310460.db2.gz YSLFRSSUJQOLPJ-SECBINFHSA-N 0 2 388.624 3.231 10 0 GGAELN O=C(c1ccc(Cl)c(Cl)c1O)N1CCS(=O)(=O)c2ccccc2C1 ZINC000187388249 565329064 /nfs/dbraw/zinc/32/90/64/565329064.db2.gz MIGQTLRDFVCFTE-UHFFFAOYSA-N 0 2 386.256 3.129 10 0 GGAELN Cc1ccc(Br)cc1S(=O)(=O)Nc1cc(-c2ccncc2)n[nH]1 ZINC000163192448 565338673 /nfs/dbraw/zinc/33/86/73/565338673.db2.gz AJPNERUNWCMCRF-UHFFFAOYSA-N 0 2 393.266 3.343 10 0 GGAELN Cc1ccc(Br)cc1S(=O)(=O)Nc1cc(-c2ccncc2)[nH]n1 ZINC000163192448 565338677 /nfs/dbraw/zinc/33/86/77/565338677.db2.gz AJPNERUNWCMCRF-UHFFFAOYSA-N 0 2 393.266 3.343 10 0 GGAELN O=S(=O)(Nc1cc(-c2ccncc2)n[nH]1)c1ccc(Br)cc1 ZINC000163192685 565338780 /nfs/dbraw/zinc/33/87/80/565338780.db2.gz DHMPZXXCDDYXJP-UHFFFAOYSA-N 0 2 379.239 3.035 10 0 GGAELN O=S(=O)(Nc1cc(-c2ccncc2)[nH]n1)c1ccc(Br)cc1 ZINC000163192685 565338786 /nfs/dbraw/zinc/33/87/86/565338786.db2.gz DHMPZXXCDDYXJP-UHFFFAOYSA-N 0 2 379.239 3.035 10 0 GGAELN O=C(CSc1n[nH]c(=O)[nH]1)N1N=C(c2cccs2)C[C@@H]1c1cccs1 ZINC000187641885 565346978 /nfs/dbraw/zinc/34/69/78/565346978.db2.gz WHVWGUTWUDCVDK-SNVBAGLBSA-N 0 2 391.503 3.103 10 0 GGAELN C[C@H](C1CC1)n1cc(NS(=O)(=O)c2cc3c(cc2Cl)OCCO3)cn1 ZINC000187746186 565352521 /nfs/dbraw/zinc/35/25/21/565352521.db2.gz PWQJAAKMLYPIJT-SNVBAGLBSA-N 0 2 383.857 3.080 10 0 GGAELN CCc1noc(C)c1NS(=O)(=O)c1cc(Br)ccc1OC ZINC000164861960 565364506 /nfs/dbraw/zinc/36/45/06/565364506.db2.gz MOKZAFYWAOECKT-UHFFFAOYSA-N 0 2 375.244 3.117 10 0 GGAELN CCc1noc(C)c1NS(=O)(=O)c1c2ccccc2sc1C(=O)OC ZINC000164879425 565364660 /nfs/dbraw/zinc/36/46/60/565364660.db2.gz PSPORLDIDNKTFA-UHFFFAOYSA-N 0 2 380.447 3.348 10 0 GGAELN CCc1noc(C)c1NS(=O)(=O)c1cc(OC)ccc1Br ZINC000164858736 565364680 /nfs/dbraw/zinc/36/46/80/565364680.db2.gz PLMSDRZPLSYRDJ-UHFFFAOYSA-N 0 2 375.244 3.117 10 0 GGAELN CCc1noc(C)c1NS(=O)(=O)c1ccc(Br)c(OC)c1 ZINC000164842598 565364691 /nfs/dbraw/zinc/36/46/91/565364691.db2.gz SUDWTDPXQKKFJI-UHFFFAOYSA-N 0 2 375.244 3.117 10 0 GGAELN CC(C)(C)SCC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000298189241 565403712 /nfs/dbraw/zinc/40/37/12/565403712.db2.gz CDALKMBZWSRPOU-UHFFFAOYSA-N 0 2 385.536 3.414 10 0 GGAELN CCN1CCc2nc(NS(=O)(=O)c3ccc(F)cc3Cl)sc2C1 ZINC000171146862 565412655 /nfs/dbraw/zinc/41/26/55/565412655.db2.gz QVLWXYFTQJXGIO-UHFFFAOYSA-N 0 2 375.878 3.114 10 0 GGAELN O=C(CNC(=O)c1ccc(Cl)c(Cl)c1O)Nc1ccc(F)c(F)c1F ZINC000171673810 565443174 /nfs/dbraw/zinc/44/31/74/565443174.db2.gz JZPQMCPEXXUFPV-UHFFFAOYSA-N 0 2 393.148 3.485 10 0 GGAELN COC(=O)NCCc1ccc(S(=O)(=O)Nc2ncc(C(C)C)s2)s1 ZINC000276309867 565444870 /nfs/dbraw/zinc/44/48/70/565444870.db2.gz VNMAZTUDPDDGKF-UHFFFAOYSA-N 0 2 389.524 3.027 10 0 GGAELN O=c1nc(CN2CCc3cccc(Br)c3C2)[nH]c2ccsc21 ZINC000172405095 565483862 /nfs/dbraw/zinc/48/38/62/565483862.db2.gz WXDKZGJUJYSRJK-UHFFFAOYSA-N 0 2 376.279 3.305 10 0 GGAELN COc1cc(C)c(S(=O)(=O)Nc2nnc(-c3c[nH]nc3C)s2)cc1Cl ZINC000377933416 565505192 /nfs/dbraw/zinc/50/51/92/565505192.db2.gz VFBPZSXACQBWRS-UHFFFAOYSA-N 0 2 399.885 3.008 10 0 GGAELN CC(=O)Nc1cc(F)c(S(=O)(=O)NCCc2ccsc2)c(F)c1Cl ZINC000173017074 565520590 /nfs/dbraw/zinc/52/05/90/565520590.db2.gz FVOOLLUXGHSKGX-UHFFFAOYSA-N 0 2 394.852 3.159 10 0 GGAELN Cc1cc(S(=O)(=O)Nc2ccc(S(C)(=O)=O)cc2C)sc1Cl ZINC000190293657 565520839 /nfs/dbraw/zinc/52/08/39/565520839.db2.gz VGABTJXBFJWCEY-UHFFFAOYSA-N 0 2 379.912 3.223 10 0 GGAELN COc1ccc(NS(=O)(=O)c2c(Cl)cccc2Br)cn1 ZINC000380293435 565539750 /nfs/dbraw/zinc/53/97/50/565539750.db2.gz RKTIFMLBPONALH-UHFFFAOYSA-N 0 2 377.647 3.307 10 0 GGAELN COc1cc(S(=O)(=O)Nc2nnc(/C=C/c3ccco3)s2)ccc1F ZINC000191000648 565576460 /nfs/dbraw/zinc/57/64/60/565576460.db2.gz JWAODMZYZBBWOV-QPJJXVBHSA-N 0 2 381.410 3.250 10 0 GGAELN O=C(Nc1ccc2c(c1)OCC(=O)N2)c1cc(Br)cc(Cl)c1O ZINC000174247638 565623740 /nfs/dbraw/zinc/62/37/40/565623740.db2.gz CHJNOBFRRHXVGX-UHFFFAOYSA-N 0 2 397.612 3.391 10 0 GGAELN COc1ccc(Br)cc1S(=O)(=O)Nc1nc(C)cc(C2CC2)n1 ZINC000191806241 565634097 /nfs/dbraw/zinc/63/40/97/565634097.db2.gz DFGIRJAMTYHQKH-UHFFFAOYSA-N 0 2 398.282 3.234 10 0 GGAELN CC(C)Oc1ccc(F)cc1NS(=O)(=O)c1cc(Cl)cc(C(N)=O)c1 ZINC000410389107 565682190 /nfs/dbraw/zinc/68/21/90/565682190.db2.gz ARBAYFTWWSZCPZ-UHFFFAOYSA-N 0 2 386.832 3.166 10 0 GGAELN CCn1ncc(NS(=O)(=O)c2ccc(C(F)(F)F)nc2)c1C(F)(F)F ZINC000410403643 565683235 /nfs/dbraw/zinc/68/32/35/565683235.db2.gz MBKOGACBLRCYKL-UHFFFAOYSA-N 0 2 388.293 3.136 10 0 GGAELN CCn1ncc(NS(=O)(=O)c2ccc3ncsc3c2)c1C(F)(F)F ZINC000410406474 565684286 /nfs/dbraw/zinc/68/42/86/565684286.db2.gz VAEBNOAVBPKNJX-UHFFFAOYSA-N 0 2 376.385 3.332 10 0 GGAELN O=C1CCN1c1ccc(NS(=O)(=O)c2cccc(Br)c2F)cc1 ZINC000410420239 565684486 /nfs/dbraw/zinc/68/44/86/565684486.db2.gz RHINALRDHGPKAN-UHFFFAOYSA-N 0 2 399.241 3.126 10 0 GGAELN Cc1ccsc1-c1nc(=NC(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)s[nH]1 ZINC000329967773 565687464 /nfs/dbraw/zinc/68/74/64/565687464.db2.gz SSWCLRXRNVTHJT-SJKOYZFVSA-N 0 2 378.523 3.156 10 0 GGAELN CC(C)c1nn(C)cc1NS(=O)(=O)c1cc(Br)ccc1F ZINC000280855810 565700318 /nfs/dbraw/zinc/70/03/18/565700318.db2.gz BVZCAJLQMYNIDQ-UHFFFAOYSA-N 0 2 376.251 3.246 10 0 GGAELN CC(C)c1nn(C)cc1NS(=O)(=O)c1ccc(OCC(F)(F)F)cc1 ZINC000281163034 565715736 /nfs/dbraw/zinc/71/57/36/565715736.db2.gz PHNPPYSMIJTLHM-UHFFFAOYSA-N 0 2 377.388 3.285 10 0 GGAELN Cc1ccsc1-c1nc(=NC(=O)C(=O)NCCC2CCCCC2)s[nH]1 ZINC000411146671 565715912 /nfs/dbraw/zinc/71/59/12/565715912.db2.gz OELBUBVIBKKUQL-UHFFFAOYSA-N 0 2 378.523 3.022 10 0 GGAELN CCCCCN(C(=O)C(=O)N=c1nc(-c2sccc2C)[nH]s1)C(C)C ZINC000411186186 565716513 /nfs/dbraw/zinc/71/65/13/565716513.db2.gz XTMHJVBDKGPKQA-UHFFFAOYSA-N 0 2 380.539 3.363 10 0 GGAELN Cc1cc(I)cnc1NC(=O)c1c(O)cc(F)cc1F ZINC000175759443 565721205 /nfs/dbraw/zinc/72/12/05/565721205.db2.gz AMWJWMHIJYHOTI-UHFFFAOYSA-N 0 2 390.127 3.231 10 0 GGAELN Cc1ccsc1-c1nc(=NC(=O)C(=O)NCC(C)(C)CC(C)C)s[nH]1 ZINC000411289572 565723134 /nfs/dbraw/zinc/72/31/34/565723134.db2.gz HBDHLWUONOLRCH-UHFFFAOYSA-N 0 2 380.539 3.124 10 0 GGAELN CCN(C(=O)C(=O)N=c1nc(-c2sccc2C)[nH]s1)C1CCCCC1 ZINC000411371874 565727244 /nfs/dbraw/zinc/72/72/44/565727244.db2.gz AUNIEMOTZFGWJJ-UHFFFAOYSA-N 0 2 378.523 3.117 10 0 GGAELN CC(C)=CCC[C@@H](C)NC(=O)C(=O)N=c1nc(-c2sccc2C)[nH]s1 ZINC000411575308 565736806 /nfs/dbraw/zinc/73/68/06/565736806.db2.gz MQQFBFKPUOFRSL-GFCCVEGCSA-N 0 2 378.523 3.187 10 0 GGAELN CC[C@H](NC(=O)C(=O)N=c1nc(-c2sccc2C)[nH]s1)C1CCCC1 ZINC000411583426 565737620 /nfs/dbraw/zinc/73/76/20/565737620.db2.gz CTSCDDOXOIBPTQ-LBPRGKRZSA-N 0 2 378.523 3.020 10 0 GGAELN CCC[C@H](NC(=O)C(=O)N=c1nc(-c2sccc2C)[nH]s1)C1CCC1 ZINC000411710670 565747298 /nfs/dbraw/zinc/74/72/98/565747298.db2.gz OMWOYQNSXVZCQA-LBPRGKRZSA-N 0 2 378.523 3.020 10 0 GGAELN Cc1cc(Br)cc(C)c1S(=O)(=O)Nc1nnc(CC(C)C)o1 ZINC000331337908 565755468 /nfs/dbraw/zinc/75/54/68/565755468.db2.gz ZWEMOMZJVLGDEC-UHFFFAOYSA-N 0 2 388.287 3.448 10 0 GGAELN O=S(=O)(Nc1nnc(C2CC2)o1)c1c(Cl)cccc1Br ZINC000282245725 565771220 /nfs/dbraw/zinc/77/12/20/565771220.db2.gz DZRLAEIPZOXCCW-UHFFFAOYSA-N 0 2 378.635 3.164 10 0 GGAELN CC(C)c1nnc(NS(=O)(=O)c2c(Cl)cccc2Br)o1 ZINC000282334590 565774668 /nfs/dbraw/zinc/77/46/68/565774668.db2.gz QKQPKVZUTHQUNA-UHFFFAOYSA-N 0 2 380.651 3.410 10 0 GGAELN CN(C)C(=O)c1cccc(CCNC(=O)c2ccc(Cl)c(Cl)c2O)c1 ZINC000176499986 565777789 /nfs/dbraw/zinc/77/77/89/565777789.db2.gz FTGQORHMUXFOIV-UHFFFAOYSA-N 0 2 381.259 3.373 10 0 GGAELN O=S(=O)(Nc1cnn(-c2ncccn2)c1)c1cc2cc(Cl)ccc2s1 ZINC000176496703 565778444 /nfs/dbraw/zinc/77/84/44/565778444.db2.gz SVKHTHZHLRMPBG-UHFFFAOYSA-N 0 2 391.865 3.331 10 0 GGAELN O=C(CCCc1ccccc1Br)N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000412323340 565782005 /nfs/dbraw/zinc/78/20/05/565782005.db2.gz IVEVPRJIYOJVKY-CYBMUJFWSA-N 0 2 393.285 3.002 10 0 GGAELN Cc1cnc(CCN(C)C(=O)C2=NN(c3ccc(Cl)cc3)CC2=O)s1 ZINC000194408926 565814274 /nfs/dbraw/zinc/81/42/74/565814274.db2.gz DZFKVBWAZIIMCU-UHFFFAOYSA-N 0 2 376.869 3.311 10 0 GGAELN CC1(CNC(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)CCC1 ZINC000177096930 565828545 /nfs/dbraw/zinc/82/85/45/565828545.db2.gz BYOGLPYXNJMJPB-UHFFFAOYSA-N 0 2 380.495 3.256 10 0 GGAELN O=C(c1cccs1)N1CCCN(C(=O)c2cc(F)c(O)c(Cl)c2)CC1 ZINC000194698091 565831498 /nfs/dbraw/zinc/83/14/98/565831498.db2.gz YRRNNVAMOZSKNB-UHFFFAOYSA-N 0 2 382.844 3.235 10 0 GGAELN O=S(=O)(Nc1nnc(Cc2ccccc2F)o1)c1c(F)cccc1Cl ZINC000194947035 565849856 /nfs/dbraw/zinc/84/98/56/565849856.db2.gz KBUZTUQVFMHSBT-UHFFFAOYSA-N 0 2 385.779 3.393 10 0 GGAELN Cc1ccc(S(=O)(=O)Nc2ccc(OC(C)C)nn2)cc1Br ZINC000194982766 565851645 /nfs/dbraw/zinc/85/16/45/565851645.db2.gz ZZVBVJWAPMBYPO-UHFFFAOYSA-N 0 2 386.271 3.136 10 0 GGAELN Cc1sc(Br)cc1S(=O)(=O)Nc1ccc(OC(C)C)nn1 ZINC000194982493 565851850 /nfs/dbraw/zinc/85/18/50/565851850.db2.gz PSWGEQUJSQXHBT-UHFFFAOYSA-N 0 2 392.300 3.197 10 0 GGAELN Cc1ccc(Br)c(S(=O)(=O)Nc2ccc(OC(C)C)nn2)c1 ZINC000194984235 565852107 /nfs/dbraw/zinc/85/21/07/565852107.db2.gz KGGCPKBAXWPINX-UHFFFAOYSA-N 0 2 386.271 3.136 10 0 GGAELN O=C(N[C@H](CO)c1cccc(Br)c1)c1cc(F)c(O)c(Cl)c1 ZINC000195060622 565855776 /nfs/dbraw/zinc/85/57/76/565855776.db2.gz FHFDLTSNJMFQTH-CYBMUJFWSA-N 0 2 388.620 3.411 10 0 GGAELN CC(C)(C)c1nc(CS(=O)(=O)c2n[nH]c(-c3ccccc3F)n2)cs1 ZINC000195130417 565861517 /nfs/dbraw/zinc/86/15/17/565861517.db2.gz WRKADBVOBYJASS-UHFFFAOYSA-N 0 2 380.470 3.339 10 0 GGAELN O=S(=O)(Nc1cc(Cl)ccc1C(F)(F)F)c1cnn([C@H]2CCOC2)c1 ZINC000284940184 565879567 /nfs/dbraw/zinc/87/95/67/565879567.db2.gz ANXVCCMJKRPHRL-JTQLQIEISA-N 0 2 395.790 3.318 10 0 GGAELN COCCn1cc(S(=O)(=O)Nc2cc(Cl)ccc2C(F)(F)F)cn1 ZINC000284978874 565881590 /nfs/dbraw/zinc/88/15/90/565881590.db2.gz DOPWDSTVXSXHFK-UHFFFAOYSA-N 0 2 383.779 3.003 10 0 GGAELN C[C@@H]1CN(C(=O)N=c2ccc(-c3ccc(Br)s3)n[nH]2)C[C@@H](C)O1 ZINC000333491366 565885049 /nfs/dbraw/zinc/88/50/49/565885049.db2.gz UPBKUGBRWVREPO-NXEZZACHSA-N 0 2 397.298 3.031 10 0 GGAELN O=S(=O)(Nc1cnc(Cl)cn1)c1cccc2cncc(Br)c21 ZINC000225401143 565914647 /nfs/dbraw/zinc/91/46/47/565914647.db2.gz WPSLZFBCLDJZPM-UHFFFAOYSA-N 0 2 399.657 3.242 10 0 GGAELN Cc1cc(F)c(Br)cc1NS(=O)(=O)c1c(Cl)cnn1C ZINC000228043245 565924439 /nfs/dbraw/zinc/92/44/39/565924439.db2.gz MFOQTXZLAFAFFC-UHFFFAOYSA-N 0 2 382.642 3.084 10 0 GGAELN O=S(=O)(Nc1ccc(F)cc1N1CCOCC1)c1cc(Cl)ccc1F ZINC000414402106 565924602 /nfs/dbraw/zinc/92/46/02/565924602.db2.gz ZJUAYHWVQCVXFY-UHFFFAOYSA-N 0 2 388.823 3.256 10 0 GGAELN COc1cc(S(=O)(=O)Nc2nnc(CC(F)(F)F)s2)ccc1Cl ZINC000414438130 565931746 /nfs/dbraw/zinc/93/17/46/565931746.db2.gz DAAYVRMIYRTALN-UHFFFAOYSA-N 0 2 387.792 3.106 10 0 GGAELN Cc1nn(C)c(S(=O)(=O)Nc2ccnn2[C@@H](C)CC(C)C)c1C(F)F ZINC000414433323 565932029 /nfs/dbraw/zinc/93/20/29/565932029.db2.gz BIYDMVQVNUWMDD-JTQLQIEISA-N 0 2 375.445 3.271 10 0 GGAELN CNC(=O)c1cc(Cl)c(C)c(S(=O)(=O)Nc2nc3c(s2)CCCC3)c1 ZINC000414438437 565932397 /nfs/dbraw/zinc/93/23/97/565932397.db2.gz JHLROYBPZZKQRI-UHFFFAOYSA-N 0 2 399.925 3.144 10 0 GGAELN COc1ccc2nc(NS(=O)(=O)c3c(C(F)F)c(C)nn3C)sc2c1 ZINC000414442767 565933187 /nfs/dbraw/zinc/93/31/87/565933187.db2.gz QUZIQEIMTJPAKC-UHFFFAOYSA-N 0 2 388.421 3.085 10 0 GGAELN Cc1nn(C)c(S(=O)(=O)Nc2cc(Cl)ccc2N(C)C)c1C(F)F ZINC000414439598 565933789 /nfs/dbraw/zinc/93/37/89/565933789.db2.gz LKNAGPKSBHPDTN-UHFFFAOYSA-N 0 2 378.832 3.186 10 0 GGAELN COc1cc(C(F)(F)F)cc(S(=O)(=O)Nc2nc(CN(C)C)cs2)c1 ZINC000414453487 565935883 /nfs/dbraw/zinc/93/58/83/565935883.db2.gz CZBSNLLEZQYMKL-UHFFFAOYSA-N 0 2 395.428 3.033 10 0 GGAELN Cc1nn(C)c(S(=O)(=O)Nc2nc(CC(F)(F)F)cs2)c1C(F)F ZINC000414458177 565936507 /nfs/dbraw/zinc/93/65/07/565936507.db2.gz XKGOVOCFVTZRFT-UHFFFAOYSA-N 0 2 390.359 3.028 10 0 GGAELN COc1cccc(-c2nsc(NS(=O)(=O)c3sc(C)nc3C)n2)c1 ZINC000178873998 565942647 /nfs/dbraw/zinc/94/26/47/565942647.db2.gz DDIGYZVEQUFLQO-UHFFFAOYSA-N 0 2 382.492 3.088 10 0 GGAELN CN(C(=O)c1ccc(Cl)c(Cl)c1O)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000179608594 565992647 /nfs/dbraw/zinc/99/26/47/565992647.db2.gz FLMPNWYTSDJOAG-NEPJUHHUSA-N 0 2 380.293 3.127 10 0 GGAELN CCC1(NC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2O)CCC1 ZINC000179713087 566002604 /nfs/dbraw/zinc/00/26/04/566002604.db2.gz XPHIWBJDHCLKQA-UHFFFAOYSA-N 0 2 380.491 3.317 10 0 GGAELN CNS(=O)(=O)c1cccc(NC(=O)c2ccc(Cl)c(Cl)c2O)c1C ZINC000179840561 566012128 /nfs/dbraw/zinc/01/21/28/566012128.db2.gz KQBAYUJGALTMDT-UHFFFAOYSA-N 0 2 389.260 3.168 10 0 GGAELN Cn1cc(C(=O)C[C@@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2O)cn1 ZINC000179906011 566016971 /nfs/dbraw/zinc/01/69/71/566016971.db2.gz NVZWMRJVFMZQHM-NSHDSACASA-N 0 2 382.247 3.310 10 0 GGAELN Cc1cc(S(N)(=O)=O)cc(NC(=O)c2ccc(Cl)c(Cl)c2O)c1C ZINC000180333512 566055996 /nfs/dbraw/zinc/05/59/96/566055996.db2.gz SLZXWNLVMHMMAD-UHFFFAOYSA-N 0 2 389.260 3.216 10 0 GGAELN CCOc1ccc(NS(=O)(=O)c2cccnc2C(F)(F)F)cc1OC ZINC000288407228 566071730 /nfs/dbraw/zinc/07/17/30/566071730.db2.gz LCWZTIAWBQVBHL-UHFFFAOYSA-N 0 2 376.356 3.309 10 0 GGAELN O=S(=O)(CCOCC1CCCC1)N[C@@H](c1cc(F)ccc1F)C(F)F ZINC000416472688 566072728 /nfs/dbraw/zinc/07/27/28/566072728.db2.gz BLVJPBSBJPSKRE-HNNXBMFYSA-N 0 2 383.407 3.397 10 0 GGAELN Cc1cc(S(=O)(=O)Nc2nnc(-c3c[nH]nc3C)s2)sc1Cl ZINC000365029020 566079431 /nfs/dbraw/zinc/07/94/31/566079431.db2.gz QTSRESGAVZMXLT-UHFFFAOYSA-N 0 2 375.888 3.061 10 0 GGAELN CCc1ccc(NS(=O)(=O)c2ccc(CCNC(C)=O)s2)cc1CC ZINC000180659803 566080977 /nfs/dbraw/zinc/08/09/77/566080977.db2.gz GOZHPWAWWHSCNM-UHFFFAOYSA-N 0 2 380.535 3.352 10 0 GGAELN Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]c1cccc2c1C[N@H+](CC(C)C)C2 ZINC000181072602 566110521 /nfs/dbraw/zinc/11/05/21/566110521.db2.gz OVOLNUAWJKJXJR-UHFFFAOYSA-N 0 2 382.917 3.154 10 0 GGAELN Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]c1cccc2c1C[N@@H+](CC(C)C)C2 ZINC000181072602 566110528 /nfs/dbraw/zinc/11/05/28/566110528.db2.gz OVOLNUAWJKJXJR-UHFFFAOYSA-N 0 2 382.917 3.154 10 0 GGAELN COC(C)(C)CS(=O)(=O)Nc1ccn(-c2ccccc2C(F)(F)F)n1 ZINC000416950439 566114516 /nfs/dbraw/zinc/11/45/16/566114516.db2.gz HDWNHPAGYPFDPT-UHFFFAOYSA-N 0 2 377.388 3.058 10 0 GGAELN COc1cc(S(=O)(=O)Nc2cc(C)n(CC(F)(F)F)n2)ccc1Cl ZINC000416962034 566115633 /nfs/dbraw/zinc/11/56/33/566115633.db2.gz UBBNGTPJNTUXHM-UHFFFAOYSA-N 0 2 383.779 3.217 10 0 GGAELN Cc1cc(NS(=O)(=O)c2ccc3nc(C)sc3c2)nn1CC(F)(F)F ZINC000416959896 566115991 /nfs/dbraw/zinc/11/59/91/566115991.db2.gz QUBWGDLPZJRZJU-UHFFFAOYSA-N 0 2 390.412 3.473 10 0 GGAELN CC[C@]1(C)NC(=O)N(NC(=O)c2sc3ccccc3c2Br)C1=O ZINC000289348471 566119033 /nfs/dbraw/zinc/11/90/33/566119033.db2.gz KODKJZJBADWVOU-HNNXBMFYSA-N 0 2 396.266 3.029 10 0 GGAELN CCOc1ccc(OC)cc1NS(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000181257324 566128481 /nfs/dbraw/zinc/12/84/81/566128481.db2.gz KWJWNIDIRYOPFW-UHFFFAOYSA-N 0 2 376.356 3.309 10 0 GGAELN O=S(=O)(Nc1cc(Br)ccc1O)c1ccc(C(F)(F)F)nc1 ZINC000181281552 566129700 /nfs/dbraw/zinc/12/97/00/566129700.db2.gz QTBHZLRYJUJUMQ-UHFFFAOYSA-N 0 2 397.172 3.369 10 0 GGAELN COC(=O)c1csc(NS(=O)(=O)c2ccc(C(F)(F)F)nc2)c1C ZINC000181294841 566131367 /nfs/dbraw/zinc/13/13/67/566131367.db2.gz RSQOTOWHGHTRGK-UHFFFAOYSA-N 0 2 380.369 3.058 10 0 GGAELN O=S(=O)(Nc1nc(-c2cccs2)ns1)c1ccc(C(F)(F)F)nc1 ZINC000181354755 566135254 /nfs/dbraw/zinc/13/52/54/566135254.db2.gz FONXRVRMMWWVQW-UHFFFAOYSA-N 0 2 392.409 3.481 10 0 GGAELN CN(Cc1ccc([S@@](C)=O)cc1)C(=O)N=c1nc(-c2ccsc2)[nH]s1 ZINC000366091931 566135741 /nfs/dbraw/zinc/13/57/41/566135741.db2.gz NJDWBUYPPFGGGE-RUZDIDTESA-N 0 2 392.531 3.090 10 0 GGAELN CSCc1cnc(C[NH2+][C@H](CN2CCCc3ccccc32)C(=O)[O-])s1 ZINC000417581320 566163361 /nfs/dbraw/zinc/16/33/61/566163361.db2.gz SPQNEMVOZNMOJJ-OAHLLOKOSA-N 0 2 377.535 3.002 10 0 GGAELN COc1ccc(S(=O)(=O)Nc2cn(C)nc2C2CC2)c(Cl)c1Cl ZINC000291107131 566204845 /nfs/dbraw/zinc/20/48/45/566204845.db2.gz MIBDOEVPKWKFRS-UHFFFAOYSA-N 0 2 376.265 3.414 10 0 GGAELN Cc1n[nH]cc1-c1nnc(NS(=O)(=O)c2csc3ccccc32)s1 ZINC000367554613 566207019 /nfs/dbraw/zinc/20/70/19/566207019.db2.gz VTKGCYIAOKVVKT-UHFFFAOYSA-N 0 2 377.476 3.252 10 0 GGAELN Cc1cc(S(=O)(=O)Nc2cn(C)nc2C2CC2)sc1Br ZINC000291206311 566209593 /nfs/dbraw/zinc/20/95/93/566209593.db2.gz VDNQDBIUARZRGC-UHFFFAOYSA-N 0 2 376.301 3.231 10 0 GGAELN Cc1cc(Br)c(S(=O)(=O)Nc2cn(C)nc2C2CC2)s1 ZINC000291260422 566211932 /nfs/dbraw/zinc/21/19/32/566211932.db2.gz YRVPFAUOWNTPHH-UHFFFAOYSA-N 0 2 376.301 3.231 10 0 GGAELN O=S(=O)(Nc1ncn(C2CCCCC2)n1)c1ccc(Br)s1 ZINC000182567103 566212001 /nfs/dbraw/zinc/21/20/01/566212001.db2.gz IRZFUBDPQHDGAB-UHFFFAOYSA-N 0 2 391.316 3.408 10 0 GGAELN COC(=O)c1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cn2)cc1Cl ZINC000182746433 566221819 /nfs/dbraw/zinc/22/18/19/566221819.db2.gz DVRVWISHKUIJKK-UHFFFAOYSA-N 0 2 394.758 3.341 10 0 GGAELN O=S(=O)(Nc1nc2c(s1)CSCC2)c1cccnc1C(F)(F)F ZINC000368000586 566227144 /nfs/dbraw/zinc/22/71/44/566227144.db2.gz ZUCWWMDQJIIHOM-UHFFFAOYSA-N 0 2 381.426 3.147 10 0 GGAELN Cc1cccc(S(=O)(=O)Nc2cccc3c2OCC[C@@H]3O)c1Br ZINC000368507238 566240681 /nfs/dbraw/zinc/24/06/81/566240681.db2.gz JFRUUJGVUHRSIO-ZDUSSCGKSA-N 0 2 398.278 3.374 10 0 GGAELN O=S(=O)(Nc1cccc2c1OCC[C@@H]2O)c1ccccc1Br ZINC000368654398 566243896 /nfs/dbraw/zinc/24/38/96/566243896.db2.gz XVMIMRYYIVAWEG-ZDUSSCGKSA-N 0 2 384.251 3.066 10 0 GGAELN O=C(N=c1nc(-c2ccsc2)[nH]s1)c1ccc2c(c1)NC(=O)CCS2 ZINC000369118634 566249974 /nfs/dbraw/zinc/24/99/74/566249974.db2.gz TWVOJRUWWAYZAL-UHFFFAOYSA-N 0 2 388.499 3.375 10 0 GGAELN COc1ccc(S(=O)(=O)Nc2cc(C3CC3)nc(C)n2)c(Br)c1 ZINC000481847148 566257432 /nfs/dbraw/zinc/25/74/32/566257432.db2.gz YEIWXDRZUXWUHZ-UHFFFAOYSA-N 0 2 398.282 3.234 10 0 GGAELN CN(C)C(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)c(F)c2Cl)nc1 ZINC000575186660 566257753 /nfs/dbraw/zinc/25/77/53/566257753.db2.gz OQGLBYNLNBUAMJ-UHFFFAOYSA-N 0 2 392.239 3.030 10 0 GGAELN O=S(=O)(Nc1cccc(OCC(F)(F)F)c1)c1cccc2c1OCO2 ZINC000509064314 566259836 /nfs/dbraw/zinc/25/98/36/566259836.db2.gz ISSAFJSMLJCFRX-UHFFFAOYSA-N 0 2 375.324 3.157 10 0 GGAELN COc1c(C)cc(C)cc1S(=O)(=O)Nc1nnc(-c2ccccn2)s1 ZINC000509205959 566276565 /nfs/dbraw/zinc/27/65/65/566276565.db2.gz QPFGJYIVUFOOBN-UHFFFAOYSA-N 0 2 376.463 3.026 10 0 GGAELN O=C(Nc1ccccc1)[C@@H]1CSCN1C(=O)c1cc(F)c(O)c(Cl)c1 ZINC000445256933 566278323 /nfs/dbraw/zinc/27/83/23/566278323.db2.gz DUCGAXUMPDXWAO-AWEZNQCLSA-N 0 2 380.828 3.339 10 0 GGAELN Cc1c(S(=O)(=O)Nc2nnc(C(F)(F)F)s2)c2ccccc2n1C ZINC000556305476 566282654 /nfs/dbraw/zinc/28/26/54/566282654.db2.gz ZVEFIFBPXAIJCB-UHFFFAOYSA-N 0 2 376.385 3.158 10 0 GGAELN O=C(NCCc1cnc(C2CC2)nc1)c1cc(Br)cc(Cl)c1O ZINC000535230643 566287000 /nfs/dbraw/zinc/28/70/00/566287000.db2.gz LPPYAWFOKWILRT-UHFFFAOYSA-N 0 2 396.672 3.448 10 0 GGAELN COC(=O)c1csc(S(=O)(=O)Nc2ccc(C(F)(F)F)nc2C)c1 ZINC000509383937 566295670 /nfs/dbraw/zinc/29/56/70/566295670.db2.gz JYIKOACFCVDTLG-UHFFFAOYSA-N 0 2 380.369 3.058 10 0 GGAELN COc1cccc(OC)c1S(=O)(=O)Nc1ccc(C(F)(F)F)nc1C ZINC000509386740 566296098 /nfs/dbraw/zinc/29/60/98/566296098.db2.gz SCRWTQNIOWWLMW-UHFFFAOYSA-N 0 2 376.356 3.227 10 0 GGAELN COC(=O)c1c(F)cc(NS(=O)(=O)c2c(F)cccc2Cl)cc1F ZINC000509389508 566298706 /nfs/dbraw/zinc/29/87/06/566298706.db2.gz DKXKGPDJBHXPIM-UHFFFAOYSA-N 0 2 379.743 3.345 10 0 GGAELN CCn1ncc(NS(=O)(=O)c2cc(C)cc(C)c2OC)c1C(F)(F)F ZINC000509388598 566298722 /nfs/dbraw/zinc/29/87/22/566298722.db2.gz YTHDEOQVRQAUKV-UHFFFAOYSA-N 0 2 377.388 3.348 10 0 GGAELN O=C(N=c1nc(-c2cccc(Cl)c2)[nH]s1)N1CCC[C@]2(CCOC2)C1 ZINC000575995866 566305634 /nfs/dbraw/zinc/30/56/34/566305634.db2.gz BZNLMEZLFYOCQX-KRWDZBQOSA-N 0 2 378.885 3.315 10 0 GGAELN O=C(N=c1nc(-c2cccc(Cl)c2)[nH]s1)N1CCC[C@@]2(CCOC2)C1 ZINC000575995867 566305741 /nfs/dbraw/zinc/30/57/41/566305741.db2.gz BZNLMEZLFYOCQX-QGZVFWFLSA-N 0 2 378.885 3.315 10 0 GGAELN COc1cc(Cl)c(C)cc1NC(=O)CCNc1nc([C@H](C)OC)ns1 ZINC000509536394 566314822 /nfs/dbraw/zinc/31/48/22/566314822.db2.gz CLMPRKDMCVJXMH-JTQLQIEISA-N 0 2 384.889 3.079 10 0 GGAELN CO[C@H](C)c1nsc(NCCc2cn3cc(Br)cc(C)c3n2)n1 ZINC000509600993 566319331 /nfs/dbraw/zinc/31/93/31/566319331.db2.gz NQNROVWLTQCONY-SNVBAGLBSA-N 0 2 396.314 3.041 10 0 GGAELN COc1cc(Br)ccc1CCCNc1nc([C@@H](C)OC)ns1 ZINC000509620571 566320498 /nfs/dbraw/zinc/32/04/98/566320498.db2.gz RCLOKAXDOAYIHG-SNVBAGLBSA-N 0 2 386.315 3.483 10 0 GGAELN CO[C@@H](C)c1nsc(NCCC(=O)Nc2cc(Br)ccc2C)n1 ZINC000509669226 566325977 /nfs/dbraw/zinc/32/59/77/566325977.db2.gz TZJLCTXNLYCTEB-JTQLQIEISA-N 0 2 399.314 3.179 10 0 GGAELN CCc1nn(C)c(CC)c1S(=O)(=O)Nc1ccc(C(F)(F)F)nc1C ZINC000669822051 566329025 /nfs/dbraw/zinc/32/90/25/566329025.db2.gz MZDVGAFFDMVDKG-UHFFFAOYSA-N 0 2 376.404 3.068 10 0 GGAELN CO[C@@H](C)c1nsc(NCCCc2nnc(SC)n2C2CCCC2)n1 ZINC000509708924 566331074 /nfs/dbraw/zinc/33/10/74/566331074.db2.gz AHUAMDQSMABGNB-NSHDSACASA-N 0 2 382.559 3.141 10 0 GGAELN CC1(C)SC[C@H]1NC(=O)Cc1ccc(NS(=O)(=O)c2cccs2)cc1 ZINC000576415082 566343351 /nfs/dbraw/zinc/34/33/51/566343351.db2.gz VOPHSODVTLAXIK-CQSZACIVSA-N 0 2 396.559 3.102 10 0 GGAELN Cc1nn(C)c(S(=O)(=O)Nc2nnc(-c3ccsc3)s2)c1C(F)F ZINC000576447598 566347024 /nfs/dbraw/zinc/34/70/24/566347024.db2.gz HMIGZVAOJOSUDV-UHFFFAOYSA-N 0 2 391.450 3.047 10 0 GGAELN CC[C@@H](CS(=O)(=O)Nc1cc(Cl)ccc1OCC(F)(F)F)OC ZINC000421138426 566348403 /nfs/dbraw/zinc/34/84/03/566348403.db2.gz AYHNQXOMFOMVON-JTQLQIEISA-N 0 2 375.796 3.448 10 0 GGAELN O=C(c1c(O)cc(F)cc1F)N1CCOc2ccc(Br)cc2C1 ZINC000670143532 566351561 /nfs/dbraw/zinc/35/15/61/566351561.db2.gz SDBQXIUAQVVVMG-UHFFFAOYSA-N 0 2 384.176 3.468 10 0 GGAELN COC(=O)c1sc(NS(=O)(=O)C[C@H](OC)c2ccc(F)cc2)cc1C ZINC000600640349 566354169 /nfs/dbraw/zinc/35/41/69/566354169.db2.gz INDIXXIPXVEDMR-ZDUSSCGKSA-N 0 2 387.454 3.112 10 0 GGAELN COC(=O)c1sc(C)cc1NS(=O)(=O)C[C@H](OC)c1ccc(F)cc1 ZINC000600654913 566355577 /nfs/dbraw/zinc/35/55/77/566355577.db2.gz DHVXDCXCDQATCI-AWEZNQCLSA-N 0 2 387.454 3.112 10 0 GGAELN CCO[C@H](CS(=O)(=O)Nc1cccc2cc(C(=O)OC)sc21)C1CC1 ZINC000600653726 566355605 /nfs/dbraw/zinc/35/56/05/566355605.db2.gz NBGPWRKCKSBDCN-CQSZACIVSA-N 0 2 383.491 3.245 10 0 GGAELN COC(=O)c1cc(C)ccc1S(=O)(=O)Nc1ccc(SC)cc1OC ZINC000446639406 566359701 /nfs/dbraw/zinc/35/97/01/566359701.db2.gz USWKZUXGXHNHTR-UHFFFAOYSA-N 0 2 381.475 3.313 10 0 GGAELN COC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1nc2c(s1)CCC2(C)C ZINC000421265886 566362309 /nfs/dbraw/zinc/36/23/09/566362309.db2.gz UZNCPNOPNGEDPL-UHFFFAOYSA-N 0 2 384.479 3.164 10 0 GGAELN COc1ccc(S(=O)(=O)Nc2nnc(C(C)(C)C)s2)c2ncccc12 ZINC000649584736 566374226 /nfs/dbraw/zinc/37/42/26/566374226.db2.gz DUXSPBTVPISGAU-UHFFFAOYSA-N 0 2 378.479 3.193 10 0 GGAELN CCOC(=O)c1ccc(S(=O)(=O)Nc2nc3ccc(CC)cc3s2)o1 ZINC000536459592 566374383 /nfs/dbraw/zinc/37/43/83/566374383.db2.gz PGKZEQPCJGRPNN-UHFFFAOYSA-N 0 2 380.447 3.429 10 0 GGAELN Cc1cc(Br)cc(S(=O)(=O)Nc2ccc(OC(C)C)nn2)c1 ZINC000446968050 566374406 /nfs/dbraw/zinc/37/44/06/566374406.db2.gz WCSLOSQTLLRZSD-UHFFFAOYSA-N 0 2 386.271 3.136 10 0 GGAELN Cc1cc(S(=O)(=O)Nc2cc([C@@H]3CCCOC3)nn2C)c(Cl)cc1F ZINC000576818175 566380703 /nfs/dbraw/zinc/38/07/03/566380703.db2.gz PXYJUHLDDRHHLC-LLVKDONJSA-N 0 2 387.864 3.216 10 0 GGAELN O=c1[nH]nc([C@@H]2CCCN(c3ccc(Br)c(C(F)(F)F)n3)C2)o1 ZINC000670818171 566382862 /nfs/dbraw/zinc/38/28/62/566382862.db2.gz UJCXXVXIPBBRNG-SSDOTTSWSA-N 0 2 393.163 3.336 10 0 GGAELN O=c1[nH]nc([C@H]2CCCN(c3ccc(Br)c(C(F)(F)F)n3)C2)o1 ZINC000670818172 566383285 /nfs/dbraw/zinc/38/32/85/566383285.db2.gz UJCXXVXIPBBRNG-ZETCQYMHSA-N 0 2 393.163 3.336 10 0 GGAELN COC(=O)c1cc(NS(=O)(=O)c2ccc(C)s2)ccc1Br ZINC000557423438 566386550 /nfs/dbraw/zinc/38/65/50/566386550.db2.gz XVZGMXMGPJXQLT-UHFFFAOYSA-N 0 2 390.280 3.406 10 0 GGAELN O=C(N=c1nc(-c2ccsc2)[nH]s1)[C@@H](C[C@@H]1CCCO1)C(F)(F)F ZINC000649709970 566386982 /nfs/dbraw/zinc/38/69/82/566386982.db2.gz HSXGBZQRLGHSNL-VHSXEESVSA-N 0 2 377.413 3.375 10 0 GGAELN O=S(=O)(Cc1ccc(Br)s1)c1n[nH]c(-c2ccccc2)n1 ZINC000576933956 566390887 /nfs/dbraw/zinc/39/08/87/566390887.db2.gz YMXINZFFYHMSPB-UHFFFAOYSA-N 0 2 384.280 3.270 10 0 GGAELN COCn1nc(C)c(S(=O)(=O)Nc2ccc(F)c(C(F)(F)F)c2)c1C ZINC000463370372 566403866 /nfs/dbraw/zinc/40/38/66/566403866.db2.gz URFMPRJVAWQECQ-UHFFFAOYSA-N 0 2 381.351 3.063 10 0 GGAELN Cc1cc(=NC(=O)N2CCc3cc(F)cc(Br)c3C2)[nH]nc1C ZINC000626385180 566406636 /nfs/dbraw/zinc/40/66/36/566406636.db2.gz YXOARAKEZIWMCC-UHFFFAOYSA-N 0 2 379.233 3.007 10 0 GGAELN Cc1[nH+]ccc(NC([O-])=C(C[C@H]2CCCO2)C(F)(F)F)c1Br ZINC000649949053 566408215 /nfs/dbraw/zinc/40/82/15/566408215.db2.gz NGOGUNXFVHWTCJ-NXEZZACHSA-N 0 2 381.192 3.261 10 0 GGAELN CCC(F)(F)CNC(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000626422317 566408591 /nfs/dbraw/zinc/40/85/91/566408591.db2.gz BMAJKUAMUBROFB-UHFFFAOYSA-N 0 2 390.437 3.111 10 0 GGAELN Cc1cnc(N)c(S(=O)(=O)Nc2cc(F)ccc2SCC(F)F)c1 ZINC000536903135 566410289 /nfs/dbraw/zinc/41/02/89/566410289.db2.gz BOZOITWEFQTXTI-UHFFFAOYSA-N 0 2 377.413 3.269 10 0 GGAELN O=C(N=c1ccc(C2CC2)n[nH]1)N1CCc2cc(F)cc(Br)c2C1 ZINC000626442033 566411315 /nfs/dbraw/zinc/41/13/15/566411315.db2.gz NPGAQOAIRWFSMG-UHFFFAOYSA-N 0 2 391.244 3.268 10 0 GGAELN O=C(N=c1ccc(C2CC2)n[nH]1)N1CC(Cc2ccccc2Br)C1 ZINC000626441931 566411790 /nfs/dbraw/zinc/41/17/90/566411790.db2.gz JPUCKPKKLLDTMF-UHFFFAOYSA-N 0 2 387.281 3.245 10 0 GGAELN COc1ccc(NS(=O)(=O)c2c(F)cccc2Cl)c(OC)c1OC ZINC000463520758 566415473 /nfs/dbraw/zinc/41/54/73/566415473.db2.gz YDGXKPGIQPKCNX-UHFFFAOYSA-N 0 2 375.805 3.306 10 0 GGAELN Cc1ccsc1[C@@H](CO)NC(=O)C1=NN(c2ccc(Cl)cc2)CC1=O ZINC000447547309 566416103 /nfs/dbraw/zinc/41/61/03/566416103.db2.gz BKXAQTUNFYCSRK-CYBMUJFWSA-N 0 2 377.853 3.065 10 0 GGAELN COC(=O)CCOc1ccc(NS(=O)(=O)c2c(F)cccc2Cl)cc1 ZINC000463525242 566417409 /nfs/dbraw/zinc/41/74/09/566417409.db2.gz HWTIIWNPFCPTRM-UHFFFAOYSA-N 0 2 387.816 3.222 10 0 GGAELN COC1(CS(=O)(=O)Nc2cccc(Cl)c2OC(C)C)CCOCC1 ZINC000650180639 566431867 /nfs/dbraw/zinc/43/18/67/566431867.db2.gz CUUWQRIUECSFDE-UHFFFAOYSA-N 0 2 377.890 3.065 10 0 GGAELN COC1(CS(=O)(=O)Nc2sc(-c3ccccc3)nc2C)CCOCC1 ZINC000650195271 566434818 /nfs/dbraw/zinc/43/48/18/566434818.db2.gz VJCZYSNPLLSRFP-UHFFFAOYSA-N 0 2 382.507 3.056 10 0 GGAELN CC(C)(C)C1CN(C(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)C1 ZINC000577465563 566437360 /nfs/dbraw/zinc/43/73/60/566437360.db2.gz PTONNDRPEXEKNL-UHFFFAOYSA-N 0 2 379.507 3.062 10 0 GGAELN CCOc1ccc(OC)cc1NS(=O)(=O)c1cccnc1C(F)(F)F ZINC000558042720 566444922 /nfs/dbraw/zinc/44/49/22/566444922.db2.gz ALSRMSYIXRVYQG-UHFFFAOYSA-N 0 2 376.356 3.309 10 0 GGAELN Cc1cc(C)c(C(=O)N2CCC(c3n[nH]c(=O)[nH]3)CC2)c(C)c1Br ZINC000626755396 566446502 /nfs/dbraw/zinc/44/65/02/566446502.db2.gz FUHMTJCOLWHOOO-UHFFFAOYSA-N 0 2 393.285 3.218 10 0 GGAELN CCO[C@H]1C[C@H](N(C)C(=O)N=c2nc(-c3ccsc3)[nH]s2)C12CCC2 ZINC000447997701 566451700 /nfs/dbraw/zinc/45/17/00/566451700.db2.gz CZGRQRVYXAJSCT-STQMWFEESA-N 0 2 378.523 3.500 10 0 GGAELN CCO[C@@H]1C[C@@H](N(C)C(=O)N=c2nc(-c3ccsc3)[nH]s2)C12CCC2 ZINC000447997698 566451983 /nfs/dbraw/zinc/45/19/83/566451983.db2.gz CZGRQRVYXAJSCT-CHWSQXEVSA-N 0 2 378.523 3.500 10 0 GGAELN C[C@H](NC(=O)N=c1nc(-c2ccsc2)[nH]s1)c1ccc([S@](C)=O)cc1 ZINC000448002785 566452993 /nfs/dbraw/zinc/45/29/93/566452993.db2.gz XECRYEPAPHWPQX-FORDYWAESA-N 0 2 392.531 3.309 10 0 GGAELN C[C@@H](NC(=O)N=c1nc(-c2ccsc2)[nH]s1)c1ccc([S@](C)=O)cc1 ZINC000448002786 566453860 /nfs/dbraw/zinc/45/38/60/566453860.db2.gz XECRYEPAPHWPQX-JUTIIYIPSA-N 0 2 392.531 3.309 10 0 GGAELN O=C(N=c1nc(-c2ccsc2)[nH]s1)N1CCN(Cc2cccs2)CC1 ZINC000448014839 566454752 /nfs/dbraw/zinc/45/47/52/566454752.db2.gz ZYVVCESRZNDGQP-UHFFFAOYSA-N 0 2 391.547 3.100 10 0 GGAELN COCCN(Cc1scnc1C)C(=O)N=c1nc(-c2ccsc2)[nH]s1 ZINC000448011093 566454913 /nfs/dbraw/zinc/45/49/13/566454913.db2.gz OSFBRXPTFGNHSL-UHFFFAOYSA-N 0 2 395.535 3.134 10 0 GGAELN O=C(N=c1nc(-c2ccsc2)[nH]s1)NCCc1ccc(F)c(F)c1F ZINC000448013354 566455035 /nfs/dbraw/zinc/45/50/35/566455035.db2.gz WPFIZWSZYILLRR-UHFFFAOYSA-N 0 2 384.408 3.470 10 0 GGAELN Cc1ccsc1-c1nsc(NS(=O)(=O)c2cccc3c2OCCC3)n1 ZINC000650456767 566457821 /nfs/dbraw/zinc/45/78/21/566457821.db2.gz BPOBHWYUEAGRII-UHFFFAOYSA-N 0 2 393.515 3.123 10 0 GGAELN CC(C)n1cnc(NS(=O)(=O)Cc2cc(Cl)ccc2Br)n1 ZINC000650485909 566459180 /nfs/dbraw/zinc/45/91/80/566459180.db2.gz CSTZIAPWCNIISZ-UHFFFAOYSA-N 0 2 393.694 3.217 10 0 GGAELN COCc1ccnc(NS(=O)(=O)c2cc(OC)cc(C(F)(F)F)c2)c1 ZINC000650494729 566460301 /nfs/dbraw/zinc/46/03/01/566460301.db2.gz QIMBRQRDNNVNRW-UHFFFAOYSA-N 0 2 376.356 3.056 10 0 GGAELN C[C@@H](Cc1ccc(Br)cc1)NC(=O)N=c1ccc(C2CC2)n[nH]1 ZINC000448150923 566460809 /nfs/dbraw/zinc/46/08/09/566460809.db2.gz HWTCTMJVJNWZDI-NSHDSACASA-N 0 2 375.270 3.291 10 0 GGAELN CC(C)n1cnc(NS(=O)(=O)c2cc(Cl)ccc2OCC2CCC2)n1 ZINC000650487213 566460867 /nfs/dbraw/zinc/46/08/67/566460867.db2.gz FCPZPKFBLROJPH-UHFFFAOYSA-N 0 2 384.889 3.492 10 0 GGAELN CCN(CC)C(=O)c1ccc(S(=O)(=O)Nc2ncccc2SC)cc1 ZINC000650491165 566461450 /nfs/dbraw/zinc/46/14/50/566461450.db2.gz VDPCGOSVBDHAQS-UHFFFAOYSA-N 0 2 379.507 3.086 10 0 GGAELN CC(C)n1cnc(NS(=O)(=O)c2cc(Br)ccc2Cl)n1 ZINC000650488744 566461692 /nfs/dbraw/zinc/46/16/92/566461692.db2.gz PGBCFYUUFNVPDN-UHFFFAOYSA-N 0 2 379.667 3.076 10 0 GGAELN Cc1ncc(NS(=O)(=O)c2ccc(Br)cc2C(F)(F)F)cn1 ZINC000485012070 566469351 /nfs/dbraw/zinc/46/93/51/566469351.db2.gz DADMILHXQQOQSH-UHFFFAOYSA-N 0 2 396.188 3.367 10 0 GGAELN COC(=O)c1ccc(S(=O)(=O)Nc2cncc3ccccc32)c(Cl)c1 ZINC000537838595 566475504 /nfs/dbraw/zinc/47/55/04/566475504.db2.gz UPSXLOIBYBIJHE-UHFFFAOYSA-N 0 2 376.821 3.476 10 0 GGAELN CCCCSc1ccc(Cl)cc1C(=O)N=c1ccc(C(=O)NC)n[nH]1 ZINC000650817670 566480946 /nfs/dbraw/zinc/48/09/46/566480946.db2.gz JSRWAFDXNCTGQR-UHFFFAOYSA-N 0 2 378.885 3.056 10 0 GGAELN C[C@@H](NC(=O)c1cc(Br)c(F)cc1O)c1nnc2n1CCCCC2 ZINC000448648504 566484364 /nfs/dbraw/zinc/48/43/64/566484364.db2.gz QLEDKWROEGFWKH-SECBINFHSA-N 0 2 397.248 3.103 10 0 GGAELN O=C(Nc1nc2ccc(Br)cc2[nH]1)c1cc(=O)c2ccccc2[nH]1 ZINC000464575542 566487616 /nfs/dbraw/zinc/48/76/16/566487616.db2.gz NEZQBLZYDOXWRL-UHFFFAOYSA-N 0 2 383.205 3.419 10 0 GGAELN O=S(=O)(N[C@H]1CCCC1(F)F)c1cc(F)c(Br)cc1F ZINC000672431246 566489781 /nfs/dbraw/zinc/48/97/81/566489781.db2.gz SPTBYTHPWKMIMI-JTQLQIEISA-N 0 2 376.169 3.193 10 0 GGAELN C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000578099209 566491227 /nfs/dbraw/zinc/49/12/27/566491227.db2.gz HZZYKTLOIGDNTP-JTQLQIEISA-N 0 2 383.279 3.402 10 0 GGAELN C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000578099210 566491542 /nfs/dbraw/zinc/49/15/42/566491542.db2.gz HZZYKTLOIGDNTP-SNVBAGLBSA-N 0 2 383.279 3.402 10 0 GGAELN Cn1ncc(Cl)c1S(=O)(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000485393277 566494166 /nfs/dbraw/zinc/49/41/66/566494166.db2.gz LQTMYUGLJQWLHE-UHFFFAOYSA-N 0 2 377.853 3.453 10 0 GGAELN Cc1cc(NS(=O)(=O)c2c(Cl)cnn2C)ccc1OCC(F)(F)F ZINC000485394956 566494226 /nfs/dbraw/zinc/49/42/26/566494226.db2.gz ZATFYPFEIPROKB-UHFFFAOYSA-N 0 2 383.779 3.124 10 0 GGAELN Cc1ccc(NS(=O)(=O)c2c(Cl)cnn2C)c(OCC(F)(F)F)c1 ZINC000485396899 566495839 /nfs/dbraw/zinc/49/58/39/566495839.db2.gz OHAYYWQALWOKMG-UHFFFAOYSA-N 0 2 383.779 3.124 10 0 GGAELN Cc1ccc(C(F)(F)F)cc1S(=O)(=O)Nc1cc([C@@H]2CCCO2)[nH]n1 ZINC000558792853 566506570 /nfs/dbraw/zinc/50/65/70/566506570.db2.gz AVPDKAMVKSPRGK-LBPRGKRZSA-N 0 2 375.372 3.389 10 0 GGAELN COCc1cc(Cl)ccc1NS(=O)(=O)c1c(C)oc(C)c1C(=O)OC ZINC000424076968 566509590 /nfs/dbraw/zinc/50/95/90/566509590.db2.gz AKUPHUUMPBQQOK-UHFFFAOYSA-N 0 2 387.841 3.284 10 0 GGAELN CCCOc1ccc(NS(=O)(=O)c2c(C)nn(COC)c2C)cc1Cl ZINC000424070883 566509641 /nfs/dbraw/zinc/50/96/41/566509641.db2.gz YMGGCCOJKQJSJQ-UHFFFAOYSA-N 0 2 387.889 3.347 10 0 GGAELN C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)[C@H]1C(=O)[O-] ZINC000424263083 566523912 /nfs/dbraw/zinc/52/39/12/566523912.db2.gz GWWPYANNQRYLKF-YMTOWFKASA-N 0 2 376.787 3.065 10 0 GGAELN C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)[C@H]1C(=O)[O-] ZINC000424263083 566523916 /nfs/dbraw/zinc/52/39/16/566523916.db2.gz GWWPYANNQRYLKF-YMTOWFKASA-N 0 2 376.787 3.065 10 0 GGAELN COc1cccc(-c2nsc(NS(=O)(=O)c3ccc(C)cc3C)n2)c1 ZINC000512368491 566529163 /nfs/dbraw/zinc/52/91/63/566529163.db2.gz YXLGGUAROMLPBK-UHFFFAOYSA-N 0 2 375.475 3.053 10 0 GGAELN COc1cccc(-c2nsc(NS(=O)(=O)c3ccc(Cl)cc3C)n2)c1 ZINC000512371435 566529716 /nfs/dbraw/zinc/52/97/16/566529716.db2.gz IJSGJBMCVQULNW-UHFFFAOYSA-N 0 2 395.893 3.398 10 0 GGAELN C[C@@]1(CNC(=O)N=c2nc(-c3ccsc3)[nH]s2)OCCc2sccc21 ZINC000578540880 566531643 /nfs/dbraw/zinc/53/16/43/566531643.db2.gz OALQNLZVWHPJGA-INIZCTEOSA-N 0 2 392.531 3.360 10 0 GGAELN CC(=O)Nc1ccc(S[C@@H](C)C(=O)N=c2nc(C3(C)CC3)[nH]s2)cc1 ZINC000628539694 566565113 /nfs/dbraw/zinc/56/51/13/566565113.db2.gz OXMPYPYPYIYYMM-JTQLQIEISA-N 0 2 376.507 3.089 10 0 GGAELN CC(=O)Nc1ccc(S[C@H](C)C(=O)N=c2nc(C3(C)CC3)[nH]s2)cc1 ZINC000628539695 566565333 /nfs/dbraw/zinc/56/53/33/566565333.db2.gz OXMPYPYPYIYYMM-SNVBAGLBSA-N 0 2 376.507 3.089 10 0 GGAELN CO[C@@H](C(=O)N=c1nc(C2(C)CC2)[nH]s1)c1ccccc1Br ZINC000628540292 566565608 /nfs/dbraw/zinc/56/56/08/566565608.db2.gz BTVOZTAGZDLVAD-LLVKDONJSA-N 0 2 382.283 3.100 10 0 GGAELN O=C(N=c1nc2n([nH]1)CCCC2)N1CCC[C@H]1c1ccc(Br)s1 ZINC000579079888 566578781 /nfs/dbraw/zinc/57/87/81/566578781.db2.gz MTHZPGLFJGHSJI-JTQLQIEISA-N 0 2 396.314 3.229 10 0 GGAELN CC(C)(C)c1nc(=NC(=O)NCc2cc(F)cc(Br)c2)s[nH]1 ZINC000604800601 566579473 /nfs/dbraw/zinc/57/94/73/566579473.db2.gz HUJHEGJTELCSTE-UHFFFAOYSA-N 0 2 387.278 3.481 10 0 GGAELN COCc1cc(Cl)cc(S(=O)(=O)Nc2c[nH]nc2-c2ccccn2)c1 ZINC000579174131 566586948 /nfs/dbraw/zinc/58/69/48/566586948.db2.gz OHMOLRMEZXONPZ-UHFFFAOYSA-N 0 2 378.841 3.072 10 0 GGAELN C[C@H]1Cc2cc(S(=O)(=O)Nc3nc4cc(F)ccc4[nH]3)cc(Cl)c2O1 ZINC000486553096 566597350 /nfs/dbraw/zinc/59/73/50/566597350.db2.gz XZCFCYGFLBNIBP-QMMMGPOBSA-N 0 2 381.816 3.480 10 0 GGAELN C[C@H]1Cc2cc(S(=O)(=O)Nc3cc(-c4ccsc4)nn3C)ccc2O1 ZINC000486549074 566597422 /nfs/dbraw/zinc/59/74/22/566597422.db2.gz LDNXWBXGFMJMCQ-NSHDSACASA-N 0 2 375.475 3.273 10 0 GGAELN O=S(=O)(Nc1nc2cc(F)ccc2[nH]1)c1ccc(Br)c(F)c1 ZINC000486548199 566597794 /nfs/dbraw/zinc/59/77/94/566597794.db2.gz KKRPZNPGBOUXLJ-UHFFFAOYSA-N 0 2 388.193 3.404 10 0 GGAELN O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)C1(C(F)(F)F)CC1 ZINC000674723020 566605937 /nfs/dbraw/zinc/60/59/37/566605937.db2.gz HHRKEWPCQQMDIE-UHFFFAOYSA-N 0 2 391.396 3.225 10 0 GGAELN O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)[C@@H]1CCC[C@@H](F)C1 ZINC000425144033 566607857 /nfs/dbraw/zinc/60/78/57/566607857.db2.gz CAJYTLOQFADSPS-VXGBXAGGSA-N 0 2 383.470 3.411 10 0 GGAELN Cc1cc(Br)ccc1[C@H]1CCCN1C(=O)CSc1n[nH]c(=O)[nH]1 ZINC000629076866 566610011 /nfs/dbraw/zinc/61/00/11/566610011.db2.gz BXYWYZKMJWWKIN-GFCCVEGCSA-N 0 2 397.298 3.037 10 0 GGAELN O=C([C@H]1C[C@H]1c1ccc(Cl)cc1Cl)N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000539925006 566614001 /nfs/dbraw/zinc/61/40/01/566614001.db2.gz OPBALOLDYKCPER-STQMWFEESA-N 0 2 381.263 3.327 10 0 GGAELN Cc1ccc([C@H]2COCCN2C(=O)c2cc(Br)c(F)cc2O)o1 ZINC000449922592 566616457 /nfs/dbraw/zinc/61/64/57/566616457.db2.gz MNSNQEKPEDTMTH-CYBMUJFWSA-N 0 2 384.201 3.409 10 0 GGAELN COc1ccc(NS(=O)(=O)c2cccc(Cl)c2Br)nc1 ZINC000675104443 566622450 /nfs/dbraw/zinc/62/24/50/566622450.db2.gz RLQFRMUKIPECRK-UHFFFAOYSA-N 0 2 377.647 3.307 10 0 GGAELN C[C@H](NC(=O)c1cc(Br)c(F)cc1O)c1nc(C(C)(C)C)no1 ZINC000449994405 566622772 /nfs/dbraw/zinc/62/27/72/566622772.db2.gz HGYKROXRCBNBMC-ZETCQYMHSA-N 0 2 386.221 3.465 10 0 GGAELN CC(C)C[C@H](NC(=O)C(=O)N=c1nc(C(C)(C)C)[nH]s1)c1cccs1 ZINC000606044033 566624187 /nfs/dbraw/zinc/62/41/87/566624187.db2.gz YAEMXTJMUXZHLD-NSHDSACASA-N 0 2 380.539 3.161 10 0 GGAELN CCc1cc(NS(=O)(=O)c2cc(Cl)c(OCCOC)c(Cl)c2)no1 ZINC000675107027 566624463 /nfs/dbraw/zinc/62/44/63/566624463.db2.gz CAUKUSDEFSZZLQ-UHFFFAOYSA-N 0 2 395.264 3.370 10 0 GGAELN O=C(c1cc(Br)c(F)cc1O)N1CCN(c2cccs2)CC1 ZINC000450105184 566633562 /nfs/dbraw/zinc/63/35/62/566633562.db2.gz KMVANWDOBXXJOA-UHFFFAOYSA-N 0 2 385.258 3.318 10 0 GGAELN CC(C)(C)c1nnc(CNC(=O)c2cc(Br)c(F)cc2O)s1 ZINC000450108545 566633640 /nfs/dbraw/zinc/63/36/40/566633640.db2.gz WLLUFASIYDXNGB-UHFFFAOYSA-N 0 2 388.262 3.373 10 0 GGAELN COCCn1nc(C)c(NC(=O)c2cc(Br)c(F)cc2O)c1C ZINC000450123146 566636652 /nfs/dbraw/zinc/63/66/52/566636652.db2.gz VOYBVGKLQCPWMN-UHFFFAOYSA-N 0 2 386.221 3.006 10 0 GGAELN CCO[C@@H](CS(=O)(=O)Nc1cc(C)n(-c2ccccc2Cl)n1)C1CC1 ZINC000629291744 566637087 /nfs/dbraw/zinc/63/70/87/566637087.db2.gz OSJVMZWQXPDPRH-INIZCTEOSA-N 0 2 383.901 3.391 10 0 GGAELN CCO[C@H](CS(=O)(=O)Nc1cc(C)n(-c2ccccc2Cl)n1)C1CC1 ZINC000629291745 566637625 /nfs/dbraw/zinc/63/76/25/566637625.db2.gz OSJVMZWQXPDPRH-MRXNPFEDSA-N 0 2 383.901 3.391 10 0 GGAELN CCS(=O)(=O)Cc1ccc(NS(=O)(=O)c2ccc(C)c(F)c2F)cc1 ZINC000629300072 566638623 /nfs/dbraw/zinc/63/86/23/566638623.db2.gz AXUANAZKSFNBJH-UHFFFAOYSA-N 0 2 389.445 3.009 10 0 GGAELN CCO[C@@H](CS(=O)(=O)Nc1cc(Br)c(F)cc1OC)C1CC1 ZINC000629301781 566638777 /nfs/dbraw/zinc/63/87/77/566638777.db2.gz PUROWHVJFSTDLE-AWEZNQCLSA-N 0 2 396.278 3.154 10 0 GGAELN CCO[C@H](CS(=O)(=O)Nc1cc(Br)cc(Cl)c1O)C1CC1 ZINC000629296963 566639555 /nfs/dbraw/zinc/63/95/55/566639555.db2.gz QXEJUBLDLGBMPJ-GFCCVEGCSA-N 0 2 398.706 3.365 10 0 GGAELN Cc1ccsc1-c1nc(=NC(=O)N2CCC[C@](CO)(C(C)C)C2)s[nH]1 ZINC000652935554 566639733 /nfs/dbraw/zinc/63/97/33/566639733.db2.gz AGQXBEPHWWEMAO-KRWDZBQOSA-N 0 2 380.539 3.259 10 0 GGAELN CO[C@H](CS(=O)(=O)Nc1[nH]nc(C(F)(F)F)c1C)c1ccc(F)cc1 ZINC000629349025 566648182 /nfs/dbraw/zinc/64/81/82/566648182.db2.gz BHJUNTHVIFWIOT-LLVKDONJSA-N 0 2 381.351 3.005 10 0 GGAELN CO[C@H](CS(=O)(=O)Nc1n[nH]c(C(F)(F)F)c1C)c1ccc(F)cc1 ZINC000629349025 566648190 /nfs/dbraw/zinc/64/81/90/566648190.db2.gz BHJUNTHVIFWIOT-LLVKDONJSA-N 0 2 381.351 3.005 10 0 GGAELN Cc1cc(S(=O)(=O)Nc2cn(C)nc2-c2ccccn2)c(Cl)cc1F ZINC000675545887 566651908 /nfs/dbraw/zinc/65/19/08/566651908.db2.gz BPJLKWLWLXZTCB-UHFFFAOYSA-N 0 2 380.832 3.384 10 0 GGAELN Cc1cc(S(=O)(=O)Nc2ccc([NH+]3CCCC3)cc2C(=O)[O-])c(C)s1 ZINC000540459625 566652035 /nfs/dbraw/zinc/65/20/35/566652035.db2.gz NXDUGFZHKQPWES-UHFFFAOYSA-N 0 2 380.491 3.464 10 0 GGAELN Clc1cc(C[N@@H+]2CC[C@H](c3nnc[nH]3)C2)ccc1I ZINC000425551666 566654651 /nfs/dbraw/zinc/65/46/51/566654651.db2.gz QPYYEVMOEZXVIT-JTQLQIEISA-N 0 2 388.640 3.052 10 0 GGAELN O=C(NCc1ccc(Cl)o1)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000675622562 566655216 /nfs/dbraw/zinc/65/52/16/566655216.db2.gz HBEUULFVKGPRDB-UHFFFAOYSA-N 0 2 397.865 3.120 10 0 GGAELN COC(=O)c1ccc(S(=O)(=O)Nc2cc(Cl)ccc2O)c(Cl)c1 ZINC000580012391 566658160 /nfs/dbraw/zinc/65/81/60/566658160.db2.gz XOXFZLZGDWGTCR-UHFFFAOYSA-N 0 2 376.217 3.286 10 0 GGAELN CC[C@@H]1CN(C(=O)c2cc(Br)c(F)cc2O)CCN1CC(F)F ZINC000450320303 566658975 /nfs/dbraw/zinc/65/89/75/566658975.db2.gz NTTGIKAFMDUFOA-SECBINFHSA-N 0 2 395.219 3.095 10 0 GGAELN O=C(NC[C@@H]1C[C@H]1C1CC1)c1cccc(NS(=O)(=O)c2cccs2)c1 ZINC000514715021 566665938 /nfs/dbraw/zinc/66/59/38/566665938.db2.gz TUHDRTWSMPHWFJ-HOCLYGCPSA-N 0 2 376.503 3.325 10 0 GGAELN Cc1ccnc(-c2nc(-c3c[nH]c4c(C)cc(Br)cc4c3=O)no2)n1 ZINC000514756207 566666865 /nfs/dbraw/zinc/66/68/65/566666865.db2.gz CYBWRMLWAAPPQX-UHFFFAOYSA-N 0 2 398.220 3.414 10 0 GGAELN Cc1nc(NS(=O)(=O)c2cn3c(n2)CCC[C@H]3C)sc1C(F)(F)F ZINC000561088057 566675366 /nfs/dbraw/zinc/67/53/66/566675366.db2.gz UEMKEDOZEHZHJM-SSDOTTSWSA-N 0 2 380.417 3.365 10 0 GGAELN CC(C)Cc1nsc(NCc2cc(C(F)(F)F)cc(S(C)(=O)=O)c2)n1 ZINC000561346214 566697936 /nfs/dbraw/zinc/69/79/36/566697936.db2.gz OCVYMXNWMXWUPV-UHFFFAOYSA-N 0 2 393.456 3.193 10 0 GGAELN CCOC(=O)C1CCC(CC(=O)N=c2nc(-c3ccsc3)[nH]s2)CC1 ZINC000580554495 566704037 /nfs/dbraw/zinc/70/40/37/566704037.db2.gz UJQXTQYSOMUAIS-UHFFFAOYSA-N 0 2 379.507 3.387 10 0 GGAELN Cc1cc(S(=O)(=O)Nc2ncn(C(C)(C)C)n2)c(C)cc1Br ZINC000541288834 566710312 /nfs/dbraw/zinc/71/03/12/566710312.db2.gz YSKMLSHJVAFIJN-UHFFFAOYSA-N 0 2 387.303 3.213 10 0 GGAELN Cc1cc(Cl)c(C)c(S(=O)(=O)Nc2cnc(N(C)C)nc2)c1Cl ZINC000676868666 566712356 /nfs/dbraw/zinc/71/23/56/566712356.db2.gz YZPWIOUDFPPRBP-UHFFFAOYSA-N 0 2 375.281 3.267 10 0 GGAELN COc1cc(OC)c(S(=O)(=O)Nc2cc(F)cc(Cl)c2)c(OC)c1 ZINC000488300614 566719234 /nfs/dbraw/zinc/71/92/34/566719234.db2.gz PILJPCOGYDHPQB-UHFFFAOYSA-N 0 2 375.805 3.306 10 0 GGAELN COc1cc(C(F)(F)F)cc(S(=O)(=O)Nc2nc3c(s2)COCC3)c1 ZINC000450967805 566724950 /nfs/dbraw/zinc/72/49/50/566724950.db2.gz IROJFZUYTHOMBI-UHFFFAOYSA-N 0 2 394.396 3.044 10 0 GGAELN COCc1csc(NS(=O)(=O)Cc2ccc(Br)c(F)c2)n1 ZINC000450963173 566725263 /nfs/dbraw/zinc/72/52/63/566725263.db2.gz BEWMDSTVJPEYDX-UHFFFAOYSA-N 0 2 395.275 3.133 10 0 GGAELN COc1cc(C(F)(F)F)cc(S(=O)(=O)Nc2nc(C)ccc2OC)c1 ZINC000450968508 566725809 /nfs/dbraw/zinc/72/58/09/566725809.db2.gz KJMPKVDAJDMUJK-UHFFFAOYSA-N 0 2 376.356 3.227 10 0 GGAELN Cc1ccsc1-c1nc(=NC(=O)N2C[C@]3(CCCO3)[C@H]2C2CC2)s[nH]1 ZINC000580816745 566726310 /nfs/dbraw/zinc/72/63/10/566726310.db2.gz LJAQUWGXSSUWAI-CXAGYDPISA-N 0 2 376.507 3.172 10 0 GGAELN COc1cc(C(F)(F)F)cc(S(=O)(=O)Nc2nc(C(C)(C)C)ns2)c1 ZINC000450973632 566726514 /nfs/dbraw/zinc/72/65/14/566726514.db2.gz SRLQISJANFNHQV-UHFFFAOYSA-N 0 2 395.428 3.086 10 0 GGAELN CC(C)(C)n1cnc(=NC(=O)N[C@@H]2CCc3c2cccc3Br)[nH]1 ZINC000541505054 566728599 /nfs/dbraw/zinc/72/85/99/566728599.db2.gz AGBILSUYVNGLMQ-CYBMUJFWSA-N 0 2 378.274 3.027 10 0 GGAELN CCCSC[C@@H]([NH2+]Cc1nc2cc(C(F)(F)F)ccc2n1C)C(=O)[O-] ZINC000426780775 566728617 /nfs/dbraw/zinc/72/86/17/566728617.db2.gz AJSQRBDAXMALNX-GFCCVEGCSA-N 0 2 375.416 3.278 10 0 GGAELN CCN(C)C(=O)c1cccc(S(=O)(=O)Nc2cc(Cl)c(Cl)cn2)c1 ZINC000515702602 566729146 /nfs/dbraw/zinc/72/91/46/566729146.db2.gz QSZHRGNCOQWERQ-UHFFFAOYSA-N 0 2 388.276 3.281 10 0 GGAELN C[C@H]1Cc2cc(S(=O)(=O)Nc3ccc(C(F)(F)F)nn3)cc(Cl)c2O1 ZINC000468802914 566731303 /nfs/dbraw/zinc/73/13/03/566731303.db2.gz CGSCEYUFBWEBPS-ZETCQYMHSA-N 0 2 393.774 3.273 10 0 GGAELN Nc1ncc(Cl)cc1S(=O)(=O)Nc1ccccc1OCc1cscn1 ZINC000677234135 566731348 /nfs/dbraw/zinc/73/13/48/566731348.db2.gz NWXZWRHKJNIVTD-UHFFFAOYSA-N 0 2 396.881 3.154 10 0 GGAELN Cc1cc(S(=O)(=O)Nc2ccc(C(F)(F)F)nn2)ccc1Br ZINC000468820824 566734149 /nfs/dbraw/zinc/73/41/49/566734149.db2.gz DXYZEDBKTDIFGW-UHFFFAOYSA-N 0 2 396.188 3.367 10 0 GGAELN COc1cc(OC)c(S(=O)(=O)Nc2nc3ccsc3s2)c(OC)c1 ZINC000488573335 566735400 /nfs/dbraw/zinc/73/54/00/566735400.db2.gz BXRKHMRZTRFUFE-UHFFFAOYSA-N 0 2 386.476 3.184 10 0 GGAELN Cc1ccsc1-c1nc(=NC(=O)N2CCC[C@H]2[C@H]2CCCOC2)s[nH]1 ZINC000515840072 566735510 /nfs/dbraw/zinc/73/55/10/566735510.db2.gz DDZIYCCEIYVWMH-STQMWFEESA-N 0 2 378.523 3.420 10 0 GGAELN CCOC(=O)c1cc(S(=O)(=O)Nc2scnc2CC)cnc1C(F)F ZINC000451015668 566735916 /nfs/dbraw/zinc/73/59/16/566735916.db2.gz OZLMKOMVLWTKGD-UHFFFAOYSA-N 0 2 391.421 3.016 10 0 GGAELN CCOC(=O)c1cc(S(=O)(=O)Nc2sc(C)nc2C)cnc1C(F)F ZINC000451028052 566737349 /nfs/dbraw/zinc/73/73/49/566737349.db2.gz OKTBVMBJNOBPMR-UHFFFAOYSA-N 0 2 391.421 3.070 10 0 GGAELN CCn1nccc1S(=O)(=O)Nc1ncc(Cc2ccc(C)c(F)c2)s1 ZINC000515941449 566739407 /nfs/dbraw/zinc/73/94/07/566739407.db2.gz ZWCCORRMQOFONZ-UHFFFAOYSA-N 0 2 380.470 3.199 10 0 GGAELN COc1ccc(Br)c(CS(=O)(=O)NC(C)(C)C(F)(F)F)c1 ZINC000451029149 566739764 /nfs/dbraw/zinc/73/97/64/566739764.db2.gz FRJBQHIXFIYDQG-UHFFFAOYSA-N 0 2 390.221 3.218 10 0 GGAELN CCn1c(NS(=O)(=O)c2cc(Cl)cc(COC)c2)nc2cccnc21 ZINC000451035894 566740416 /nfs/dbraw/zinc/74/04/16/566740416.db2.gz GNFWHQZPGTXHDC-UHFFFAOYSA-N 0 2 380.857 3.052 10 0 GGAELN COC(=O)c1ccc(S(=O)(=O)Nc2cccc3c2ccn3C)c(Cl)c1 ZINC000608875668 566741016 /nfs/dbraw/zinc/74/10/16/566741016.db2.gz QSXCNJVSXCCCPW-UHFFFAOYSA-N 0 2 378.837 3.419 10 0 GGAELN O=C([O-])[C@H]1CC[C@@H](C(=O)NCc2ccc(Cl)s2)[N@@H+]1Cc1ccccc1 ZINC000630646780 566744052 /nfs/dbraw/zinc/74/40/52/566744052.db2.gz ZSSLSVLJLAEIMU-LSDHHAIUSA-N 0 2 378.881 3.136 10 0 GGAELN O=C([O-])[C@H]1CC[C@@H](C(=O)NCc2ccc(Cl)s2)[N@H+]1Cc1ccccc1 ZINC000630646780 566744057 /nfs/dbraw/zinc/74/40/57/566744057.db2.gz ZSSLSVLJLAEIMU-LSDHHAIUSA-N 0 2 378.881 3.136 10 0 GGAELN COC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1ccc(CCSC)cc1 ZINC000609015594 566746958 /nfs/dbraw/zinc/74/69/58/566746958.db2.gz BHJIWJJGWZDKTI-UHFFFAOYSA-N 0 2 383.491 3.389 10 0 GGAELN O=C(N=c1ncn(C2CCCCC2)[nH]1)NCc1csc(Br)c1 ZINC000541794461 566749280 /nfs/dbraw/zinc/74/92/80/566749280.db2.gz BKOCICNJPMPJPT-UHFFFAOYSA-N 0 2 384.303 3.351 10 0 GGAELN CCCc1c(NS(=O)(=O)c2c(Cl)cnn2C)cnn1-c1ccccc1 ZINC000516230175 566754813 /nfs/dbraw/zinc/75/48/13/566754813.db2.gz XIBGLRIVBQBABD-UHFFFAOYSA-N 0 2 379.873 3.013 10 0 GGAELN CCCCc1cnc(NS(=O)(=O)c2cc3c(cc2Cl)OCCO3)nc1 ZINC000451098815 566757253 /nfs/dbraw/zinc/75/72/53/566757253.db2.gz IXRVAHNMUJHHFJ-UHFFFAOYSA-N 0 2 383.857 3.045 10 0 GGAELN COc1ccnc(NS(=O)(=O)c2cc(Br)cc3cccnc32)c1 ZINC000516340392 566758092 /nfs/dbraw/zinc/75/80/92/566758092.db2.gz PDICXSCWZVWHNC-UHFFFAOYSA-N 0 2 394.250 3.202 10 0 GGAELN O=C(N=c1ncn(C2CCCCC2)[nH]1)NCCc1ccccc1Br ZINC000562034228 566759554 /nfs/dbraw/zinc/75/95/54/566759554.db2.gz WFXBJOSGQLIKCQ-UHFFFAOYSA-N 0 2 392.301 3.332 10 0 GGAELN CCc1ccc(NS(=O)(=O)c2cnc3c(Cl)c(C)nn3c2)cc1OC ZINC000451106886 566759871 /nfs/dbraw/zinc/75/98/71/566759871.db2.gz MTVQFYSMKLJAIF-UHFFFAOYSA-N 0 2 380.857 3.063 10 0 GGAELN COC1(C(F)(F)F)CCN(C(=O)N=c2nc(-c3ccsc3)[nH]s2)CC1 ZINC000516429239 566763296 /nfs/dbraw/zinc/76/32/96/566763296.db2.gz JGHZEAWBXLLDIR-UHFFFAOYSA-N 0 2 392.428 3.264 10 0 GGAELN CCc1ccc2nc(NS(=O)(=O)c3sc(NC(C)=O)nc3C)sc2c1 ZINC000677809933 566764442 /nfs/dbraw/zinc/76/44/42/566764442.db2.gz YDEDXUBKEDXYOQ-UHFFFAOYSA-N 0 2 396.519 3.383 10 0 GGAELN CCOC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2cn(C)nc2C(C)C)c1 ZINC000427308885 566766481 /nfs/dbraw/zinc/76/64/81/566766481.db2.gz QAXCPLPFWVXFIZ-UHFFFAOYSA-N 0 2 385.873 3.174 10 0 GGAELN COc1ccc(CNc2nc(C3CCOCC3)ns2)c(Br)c1 ZINC000630956026 566766489 /nfs/dbraw/zinc/76/64/89/566766489.db2.gz IITAGYAJNDRREL-UHFFFAOYSA-N 0 2 384.299 3.237 10 0 GGAELN COc1cc(OC)c(NS(=O)(=O)c2ccc(C(F)(F)F)nc2)cc1F ZINC000542010638 566769212 /nfs/dbraw/zinc/76/92/12/566769212.db2.gz BTNZOACWXSYLHU-UHFFFAOYSA-N 0 2 380.319 3.058 10 0 GGAELN Cc1c(Br)cccc1S(=O)(=O)Nc1cc([C@H]2CCCO2)[nH]n1 ZINC000562315559 566779428 /nfs/dbraw/zinc/77/94/28/566779428.db2.gz ZYNFCJZRDKGKFI-GFCCVEGCSA-N 0 2 386.271 3.133 10 0 GGAELN COCc1csc(NS(=O)(=O)c2c3ccccc3sc2C(=O)OC)n1 ZINC000609690826 566780569 /nfs/dbraw/zinc/78/05/69/566780569.db2.gz FQRRTHRIGWFLEN-UHFFFAOYSA-N 0 2 398.487 3.092 10 0 GGAELN O=C(c1cccc(NS(=O)(=O)c2cccs2)c1)N1CC2(CC2(F)F)C1 ZINC000655191516 566784365 /nfs/dbraw/zinc/78/43/65/566784365.db2.gz SPZDBNDZHPTKGY-UHFFFAOYSA-N 0 2 384.429 3.030 10 0 GGAELN CCOC(=O)[C@H](CC)N(C(=O)c1cc(Br)c(F)cc1O)C1CC1 ZINC000451290036 566789908 /nfs/dbraw/zinc/78/99/08/566789908.db2.gz LEWOMNRRSSFJAP-ZDUSSCGKSA-N 0 2 388.233 3.240 10 0 GGAELN CCOC(=O)[C@@H](CC)N(C(=O)c1cc(Br)c(F)cc1O)C1CC1 ZINC000451290026 566790441 /nfs/dbraw/zinc/79/04/41/566790441.db2.gz LEWOMNRRSSFJAP-CYBMUJFWSA-N 0 2 388.233 3.240 10 0 GGAELN C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)N=c1ncn(C(C)(C)C)[nH]1 ZINC000542432700 566800422 /nfs/dbraw/zinc/80/04/22/566800422.db2.gz IONYGTJJRYFGFY-JTQLQIEISA-N 0 2 398.280 3.109 10 0 GGAELN CC(C)(C)n1cnc(=NC(=O)NCCCc2ccc(Br)cc2F)[nH]1 ZINC000542441272 566800911 /nfs/dbraw/zinc/80/09/11/566800911.db2.gz YXODQTXWSVWGFU-UHFFFAOYSA-N 0 2 398.280 3.111 10 0 GGAELN Cc1cnc(N)c(S(=O)(=O)Nc2ccccc2SCC(F)(F)F)c1 ZINC000678612385 566807616 /nfs/dbraw/zinc/80/76/16/566807616.db2.gz LGUTYLXJCRMTHD-UHFFFAOYSA-N 0 2 377.413 3.427 10 0 GGAELN O=C(NC[C@H]1CCN(CC(F)(F)F)C1)N1CCc2sc(Cl)cc2C1 ZINC000581881094 566811934 /nfs/dbraw/zinc/81/19/34/566811934.db2.gz AOTBISVXHIOWTO-SNVBAGLBSA-N 0 2 381.851 3.353 10 0 GGAELN C[C@@H](CCNC(=O)Nc1c(-c2cccs2)nc2ccccn21)[S@@](C)=O ZINC000581877145 566812294 /nfs/dbraw/zinc/81/22/94/566812294.db2.gz ORAWOKKHKFKFBO-UOXLDJKESA-N 0 2 376.507 3.341 10 0 GGAELN CCn1c([C@H]2CCCS2)nnc1N(C)Cc1nc(=O)c2sccc2[nH]1 ZINC000517230049 566813795 /nfs/dbraw/zinc/81/37/95/566813795.db2.gz RIYJHQDLSBLHHU-LLVKDONJSA-N 0 2 376.511 3.213 10 0 GGAELN O=S(=O)(NCc1coc(-c2cccs2)n1)c1onc(C2CC2)c1Cl ZINC000631691176 566817403 /nfs/dbraw/zinc/81/74/03/566817403.db2.gz KRUVKLGDLNCSSD-UHFFFAOYSA-N 0 2 385.854 3.400 10 0 GGAELN CC(C)c1ncc(CN(C)C(=O)c2cc(Br)c(F)cc2O)cn1 ZINC000451450999 566819857 /nfs/dbraw/zinc/81/98/57/566819857.db2.gz KAGOCJWAWXCUJS-UHFFFAOYSA-N 0 2 382.233 3.479 10 0 GGAELN CCOC(=O)CC[C@@H](C)NC(=O)N=c1nc(-c2cccc(Cl)c2)[nH]s1 ZINC000542726678 566819970 /nfs/dbraw/zinc/81/99/70/566819970.db2.gz DBVDHPVRDJPGGD-SNVBAGLBSA-N 0 2 382.873 3.134 10 0 GGAELN Cn1nccc1[C@@H]1CCCN(C(=O)c2cc(Br)c(F)cc2O)C1 ZINC000451491722 566826809 /nfs/dbraw/zinc/82/68/09/566826809.db2.gz BRVXEQJXWPBBGQ-SNVBAGLBSA-N 0 2 382.233 3.047 10 0 GGAELN O=S(=O)(N[C@H](C[C@@H]1CCCO1)C(F)(F)F)c1cccc(Cl)c1F ZINC000655661824 566829788 /nfs/dbraw/zinc/82/97/88/566829788.db2.gz IXVPUDHKVQKEAB-GZMMTYOYSA-N 0 2 375.771 3.257 10 0 GGAELN O=S(=O)(N[C@H](C[C@H]1CCCO1)C(F)(F)F)c1c(F)cccc1Cl ZINC000655661968 566829813 /nfs/dbraw/zinc/82/98/13/566829813.db2.gz LMBNUZSRNDKENQ-LDYMZIIASA-N 0 2 375.771 3.257 10 0 GGAELN O=S(=O)(N[C@H](C[C@H]1CCCO1)C(F)(F)F)c1cc2cc(F)ccc2o1 ZINC000655662376 566830044 /nfs/dbraw/zinc/83/00/44/566830044.db2.gz QTZUHOXXWJIUOY-DGCLKSJQSA-N 0 2 381.347 3.350 10 0 GGAELN CCCOc1ccc(Br)cc1CN1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000582086113 566830239 /nfs/dbraw/zinc/83/02/39/566830239.db2.gz JFULHKCRADQLIY-LBPRGKRZSA-N 0 2 395.301 3.441 10 0 GGAELN O=C(Nc1cc(I)ccc1O)c1cc(-c2ccoc2)n[nH]1 ZINC000610490772 566836579 /nfs/dbraw/zinc/83/65/79/566836579.db2.gz YDHLHLQBALCHGZ-UHFFFAOYSA-N 0 2 395.156 3.232 10 0 GGAELN O=S(=O)(NC1(c2ccccc2)CCOCC1)c1onc(C2CC2)c1Cl ZINC000631958153 566837654 /nfs/dbraw/zinc/83/76/54/566837654.db2.gz KUSUZKIJRCDXNM-UHFFFAOYSA-N 0 2 382.869 3.190 10 0 GGAELN CC(C)COc1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)nc2)cn1 ZINC000542934545 566839871 /nfs/dbraw/zinc/83/98/71/566839871.db2.gz QXOMZQLJWLAKIT-UHFFFAOYSA-N 0 2 375.372 3.331 10 0 GGAELN O=S(=O)(NCc1coc(-c2ccccc2)n1)c1onc(C2CC2)c1Cl ZINC000632028184 566841824 /nfs/dbraw/zinc/84/18/24/566841824.db2.gz FCTBQNQNSAVBAF-UHFFFAOYSA-N 0 2 379.825 3.339 10 0 GGAELN C[C@@H](O)C[C@@H](CNS(=O)(=O)c1onc(C2CC2)c1Cl)c1ccccc1 ZINC000632099988 566850366 /nfs/dbraw/zinc/85/03/66/566850366.db2.gz SGOUCXSIFWDSLZ-RISCZKNCSA-N 0 2 384.885 3.038 10 0 GGAELN COc1cc(C(F)(F)F)cc(S(=O)(=O)Nc2cc3n(n2)CCCC3)c1 ZINC000582401554 566858246 /nfs/dbraw/zinc/85/82/46/566858246.db2.gz BRIOYUPUXVHVDU-UHFFFAOYSA-N 0 2 375.372 3.048 10 0 GGAELN CC(C)C[C@@]1(c2nc(-c3cc(F)c(O)c(Br)c3)no2)CCNC1=O ZINC000632176432 566858600 /nfs/dbraw/zinc/85/86/00/566858600.db2.gz RZPDXSFQVZSCBE-INIZCTEOSA-N 0 2 398.232 3.148 10 0 GGAELN O=S(=O)(Nc1nc2c(s1)CSCC2)c1ccc2c(c1)OC(F)(F)O2 ZINC000563135806 566858635 /nfs/dbraw/zinc/85/86/35/566858635.db2.gz VYHWSNYMUMBKPU-UHFFFAOYSA-N 0 2 392.430 3.055 10 0 GGAELN O=S(=O)(N[C@H]1CCO[C@H](c2ccccc2)C1)c1onc(C2CC2)c1Cl ZINC000632218174 566862907 /nfs/dbraw/zinc/86/29/07/566862907.db2.gz NHZPKCDQCJQAEQ-KBPBESRZSA-N 0 2 382.869 3.404 10 0 GGAELN O=S(=O)(N[C@H]1CCO[C@@H](c2ccccc2)C1)c1onc(C2CC2)c1Cl ZINC000632218176 566863084 /nfs/dbraw/zinc/86/30/84/566863084.db2.gz NHZPKCDQCJQAEQ-UONOGXRCSA-N 0 2 382.869 3.404 10 0 GGAELN CCC(CC)N(C(=O)C(=O)N=c1nc(-c2sccc2C)[nH]s1)C1CC1 ZINC000563189555 566864056 /nfs/dbraw/zinc/86/40/56/566864056.db2.gz SBSHLGJPSXQMKP-UHFFFAOYSA-N 0 2 378.523 3.115 10 0 GGAELN COc1cc(Br)ccc1[C@@H](C)NC(=O)N=c1cc(C)c(C)n[nH]1 ZINC000470364181 566868110 /nfs/dbraw/zinc/86/81/10/566868110.db2.gz RTNIKTBUNGQUDX-LLVKDONJSA-N 0 2 379.258 3.169 10 0 GGAELN O=S(=O)(Cc1ncsc1Br)NCC(F)(F)c1ccccc1 ZINC000632267261 566869318 /nfs/dbraw/zinc/86/93/18/566869318.db2.gz ZORAOGWZVUAWSL-UHFFFAOYSA-N 0 2 397.266 3.117 10 0 GGAELN CC(C)(C)n1cnc(=NC(=O)NCC(C)(C)c2ccc(Br)cc2)[nH]1 ZINC000543365033 566874020 /nfs/dbraw/zinc/87/40/20/566874020.db2.gz BGXOVPGYZCLBIH-UHFFFAOYSA-N 0 2 394.317 3.317 10 0 GGAELN O=C(CCC(=O)c1ccc(Cl)cn1)N=c1nc(-c2ccsc2)[nH]s1 ZINC000470485703 566877754 /nfs/dbraw/zinc/87/77/54/566877754.db2.gz GIQSXZQSVMHFRJ-UHFFFAOYSA-N 0 2 378.866 3.339 10 0 GGAELN Cc1[nH]nc(C(=O)N2CCC[C@H]2c2ccc(I)cc2)c1O ZINC000610987340 566878854 /nfs/dbraw/zinc/87/88/54/566878854.db2.gz CVDGOTGSXMJBKB-LBPRGKRZSA-N 0 2 397.216 3.006 10 0 GGAELN Cc1[nH]nc(C(=O)N2CCC[C@@H]2c2ccc(I)cc2)c1O ZINC000610987339 566879927 /nfs/dbraw/zinc/87/99/27/566879927.db2.gz CVDGOTGSXMJBKB-GFCCVEGCSA-N 0 2 397.216 3.006 10 0 GGAELN CO[C@@H](CCNC(=O)N=c1nc(-c2cccc(Cl)c2)[nH]s1)C(F)(F)F ZINC000470517529 566880576 /nfs/dbraw/zinc/88/05/76/566880576.db2.gz YBXAQJHYXHMYFZ-JTQLQIEISA-N 0 2 394.806 3.369 10 0 GGAELN O=S(=O)(NCc1ccnc(C(F)(F)F)c1)c1onc(C2CC2)c1Cl ZINC000632391908 566881413 /nfs/dbraw/zinc/88/14/13/566881413.db2.gz QUFMMKVPFMBYFD-UHFFFAOYSA-N 0 2 381.763 3.098 10 0 GGAELN COc1cccc2nc(NS(=O)(=O)c3c(C(F)F)c(C)nn3C)sc21 ZINC000656186809 566882620 /nfs/dbraw/zinc/88/26/20/566882620.db2.gz DOOZXBVQSLCYOX-UHFFFAOYSA-N 0 2 388.421 3.085 10 0 GGAELN CC(C)Oc1cncc(NS(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)n1 ZINC000656187420 566883100 /nfs/dbraw/zinc/88/31/00/566883100.db2.gz ZYBOGLLVIRMZOQ-UHFFFAOYSA-N 0 2 393.799 3.319 10 0 GGAELN CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@@H]2CCCC23CC3)c(F)c1Cl ZINC000632614270 566899241 /nfs/dbraw/zinc/89/92/41/566899241.db2.gz FUOPXAPGMYUGQL-LLVKDONJSA-N 0 2 378.828 3.188 10 0 GGAELN CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@]23C[C@H]2CCCC3)c(F)c1Cl ZINC000632656167 566903557 /nfs/dbraw/zinc/90/35/57/566903557.db2.gz QOGFOMFFRWVOCC-RFAUZJTJSA-N 0 2 378.828 3.188 10 0 GGAELN Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)N2CC[C@H]2C2CC2)cc1 ZINC000563681073 566907165 /nfs/dbraw/zinc/90/71/65/566907165.db2.gz FESLXCVHDLXAMB-HNNXBMFYSA-N 0 2 376.503 3.482 10 0 GGAELN COCc1ccccc1CS(=O)(=O)Nc1nc(C2CCOCC2)cs1 ZINC000582928815 566907408 /nfs/dbraw/zinc/90/74/08/566907408.db2.gz SRAPPUYTWFQQCR-UHFFFAOYSA-N 0 2 382.507 3.125 10 0 GGAELN O=C(c1oc2ccccc2c1Br)N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000632904247 566921567 /nfs/dbraw/zinc/92/15/67/566921567.db2.gz TVHQALAUACDUKD-SECBINFHSA-N 0 2 391.225 3.039 10 0 GGAELN CCc1oc(C(=O)OC)cc1S(=O)(=O)Nc1ccc(C(C)=O)c(Cl)c1 ZINC000543951039 566924648 /nfs/dbraw/zinc/92/46/48/566924648.db2.gz NGAJGBTZSMXNCP-UHFFFAOYSA-N 0 2 385.825 3.285 10 0 GGAELN CC1(C)CC[C@@H](C(=O)Nc2nc(-c3ccc(Br)cc3F)n[nH]2)O1 ZINC000429362745 566927075 /nfs/dbraw/zinc/92/70/75/566927075.db2.gz NVRCSCKBUXZHMN-NSHDSACASA-N 0 2 383.221 3.269 10 0 GGAELN CC(=O)N[C@H](C)c1ccc(S(=O)(=O)Nc2ccc(C(F)F)nc2)s1 ZINC000656633460 566928001 /nfs/dbraw/zinc/92/80/01/566928001.db2.gz BVJJARGOORJYQK-MRVPVSSYSA-N 0 2 375.422 3.079 10 0 GGAELN O=S(=O)(Nc1ccn(C2CCOCC2)n1)c1ccc(Cl)c(Cl)c1 ZINC000656636479 566930721 /nfs/dbraw/zinc/93/07/21/566930721.db2.gz IHRAIYALTLBQEJ-UHFFFAOYSA-N 0 2 376.265 3.342 10 0 GGAELN COc1c(F)cc(F)cc1NS(=O)(=O)c1cc2c(cc1Cl)OCCO2 ZINC000471132808 566931757 /nfs/dbraw/zinc/93/17/57/566931757.db2.gz KCJDJFGNVGNYKR-UHFFFAOYSA-N 0 2 391.779 3.199 10 0 GGAELN O=C(Nc1cc(Br)c[nH]c1=O)c1cccc(Br)c1O ZINC000519332825 566932841 /nfs/dbraw/zinc/93/28/41/566932841.db2.gz HSRMFAOKZRJZKN-UHFFFAOYSA-N 0 2 388.015 3.270 10 0 GGAELN CCCc1cc(NS(=O)(=O)Cc2cc(F)ccc2Br)n[nH]1 ZINC000656728696 566938496 /nfs/dbraw/zinc/93/84/96/566938496.db2.gz QZCOJKSWRYZFQK-UHFFFAOYSA-N 0 2 376.251 3.206 10 0 GGAELN Cc1cc(C(N)=O)cc(S(=O)(=O)Nc2nc3c(s2)CCCCCC3)c1 ZINC000656729485 566939526 /nfs/dbraw/zinc/93/95/26/566939526.db2.gz WYMRIXASZCEIMG-UHFFFAOYSA-N 0 2 379.507 3.010 10 0 GGAELN CC(=O)N1CCc2sc(S(=O)(=O)Nc3nc(C(C)C)cs3)cc2C1 ZINC000656729226 566939738 /nfs/dbraw/zinc/93/97/38/566939738.db2.gz TYVMMHULDIRPBW-UHFFFAOYSA-N 0 2 385.536 3.033 10 0 GGAELN O=S(=O)(Nc1noc(C2CC2)n1)c1cc(Cl)cc(Br)c1 ZINC000656733261 566940740 /nfs/dbraw/zinc/94/07/40/566940740.db2.gz ZOUUHJBLFMENFT-UHFFFAOYSA-N 0 2 378.635 3.164 10 0 GGAELN CC(C)c1nnc(NS(=O)(=O)c2cc(Cl)cc(Br)c2)o1 ZINC000656730881 566940969 /nfs/dbraw/zinc/94/09/69/566940969.db2.gz HEKLFMPCVSKTJZ-UHFFFAOYSA-N 0 2 380.651 3.410 10 0 GGAELN CC(=O)N[C@H](C)c1ccc(S(=O)(=O)Nc2cncc3c2CCCC3)s1 ZINC000656736867 566942741 /nfs/dbraw/zinc/94/27/41/566942741.db2.gz RTMXREDJUQSWDS-LLVKDONJSA-N 0 2 379.507 3.020 10 0 GGAELN CC(C)n1cnc(NS(=O)(=O)c2cc(Cl)cc(Br)c2)n1 ZINC000656734423 566942907 /nfs/dbraw/zinc/94/29/07/566942907.db2.gz DUQGGCTZVYFNEE-UHFFFAOYSA-N 0 2 379.667 3.076 10 0 GGAELN COCCn1ncc2ccc(NS(=O)(=O)c3c(F)cccc3Cl)cc21 ZINC000680969388 566943514 /nfs/dbraw/zinc/94/35/14/566943514.db2.gz OCMCIAYUWNYTEW-UHFFFAOYSA-N 0 2 383.832 3.276 10 0 GGAELN O=C1CCCN1Cc1cccc(NS(=O)(=O)c2c(F)cccc2Cl)c1 ZINC000680969326 566943997 /nfs/dbraw/zinc/94/39/97/566943997.db2.gz MJWKZEUGVXGPFU-UHFFFAOYSA-N 0 2 382.844 3.402 10 0 GGAELN O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000611928960 566945521 /nfs/dbraw/zinc/94/55/21/566945521.db2.gz VLUAGEDEKHJTMS-DFBGVHRSSA-N 0 2 377.491 3.319 10 0 GGAELN CCn1ncc(C)c1NS(=O)(=O)c1cccc(Br)c1Cl ZINC000656741865 566946117 /nfs/dbraw/zinc/94/61/17/566946117.db2.gz YHBWGIGBPIVEHK-UHFFFAOYSA-N 0 2 378.679 3.428 10 0 GGAELN CC(C)CCOc1ccc(NS(=O)(=O)c2ccc3ncsc3c2)nn1 ZINC000656742116 566946399 /nfs/dbraw/zinc/94/63/99/566946399.db2.gz GCEQCWOZWDFBBO-UHFFFAOYSA-N 0 2 378.479 3.312 10 0 GGAELN CO[C@H](CS(=O)(=O)Nc1cccc2cc(Br)cnc21)C1CC1 ZINC000519542520 566946878 /nfs/dbraw/zinc/94/68/78/566946878.db2.gz OXDIIYBLWXWTIN-CQSZACIVSA-N 0 2 385.283 3.164 10 0 GGAELN CO[C@H](CS(=O)(=O)Nc1ncc(Cc2c(F)cccc2F)s1)C1CC1 ZINC000656741830 566946976 /nfs/dbraw/zinc/94/69/76/566946976.db2.gz QLBUGUWVPARWAL-OAHLLOKOSA-N 0 2 388.461 3.179 10 0 GGAELN O=C(c1cc(Br)c(F)cc1O)N1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000452173739 566947258 /nfs/dbraw/zinc/94/72/58/566947258.db2.gz ZSWBVBHBXJMANH-HUUCEWRRSA-N 0 2 384.245 3.468 10 0 GGAELN CC(C)(C)n1cnc(=NC(=O)NC(C)(C)c2ccccc2Br)[nH]1 ZINC000544314932 566952532 /nfs/dbraw/zinc/95/25/32/566952532.db2.gz PLFYPRCAXDXFEU-UHFFFAOYSA-N 0 2 380.290 3.274 10 0 GGAELN CC(C)(C)n1cnc(=NC(=O)NCC2(c3ccccc3Br)CC2)[nH]1 ZINC000544317602 566952679 /nfs/dbraw/zinc/95/26/79/566952679.db2.gz JUGQRPPIWTYUNR-UHFFFAOYSA-N 0 2 392.301 3.071 10 0 GGAELN Cc1cc(S(=O)(=O)Nc2cc(-c3ccncc3)nn2C)c(Cl)cc1F ZINC000471506825 566956015 /nfs/dbraw/zinc/95/60/15/566956015.db2.gz VXGFXWVSHDPPAH-UHFFFAOYSA-N 0 2 380.832 3.384 10 0 GGAELN Cn1ncc(Cl)c1S(=O)(=O)Nc1ccc(-c2cnc(C3CC3)o2)cc1 ZINC000583669109 566971508 /nfs/dbraw/zinc/97/15/08/566971508.db2.gz IVGPQWVGDPUHMU-UHFFFAOYSA-N 0 2 378.841 3.407 10 0 GGAELN O=C(N=c1ncn(C2CCCCC2)[nH]1)NCc1cc(F)cc(Br)c1 ZINC000544629552 566974118 /nfs/dbraw/zinc/97/41/18/566974118.db2.gz SXPCKTHPMNBLJT-UHFFFAOYSA-N 0 2 396.264 3.429 10 0 GGAELN COC(=O)CCC1CCN(C(=O)c2cc(Br)c(F)cc2O)CC1 ZINC000519866402 566975592 /nfs/dbraw/zinc/97/55/92/566975592.db2.gz MAHJSIANWNMVAQ-UHFFFAOYSA-N 0 2 388.233 3.099 10 0 GGAELN CCn1nccc1S(=O)(=O)Nc1cccnc1Nc1ccc(Cl)cc1 ZINC000471907151 566984724 /nfs/dbraw/zinc/98/47/24/566984724.db2.gz NKOLRVVTWAUKLR-UHFFFAOYSA-N 0 2 377.857 3.496 10 0 GGAELN CCn1nccc1S(=O)(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000471918591 566985581 /nfs/dbraw/zinc/98/55/81/566985581.db2.gz MEJIUKRMFSBDOT-UHFFFAOYSA-N 0 2 398.204 3.485 10 0 GGAELN COc1ccc(S(=O)(=O)Nc2nc(-c3sccc3C)ns2)c(C)c1C ZINC000471935663 566986662 /nfs/dbraw/zinc/98/66/62/566986662.db2.gz GKCWPZDIGSEZJF-UHFFFAOYSA-N 0 2 395.531 3.423 10 0 GGAELN Cc1nn(C)c(NS(=O)(=O)c2cccc(Br)c2Cl)c1C ZINC000564564699 566987067 /nfs/dbraw/zinc/98/70/67/566987067.db2.gz UDASRMLSZRWKHL-UHFFFAOYSA-N 0 2 378.679 3.254 10 0 GGAELN COc1c(C)cc(S(=O)(=O)Nc2nc(-c3sccc3C)ns2)cc1C ZINC000471923366 566987418 /nfs/dbraw/zinc/98/74/18/566987418.db2.gz OVARJKSDEAFDNG-UHFFFAOYSA-N 0 2 395.531 3.423 10 0 GGAELN CCn1nccc1S(=O)(=O)Nc1cccc(NC(=O)c2cccs2)c1 ZINC000471946721 566988535 /nfs/dbraw/zinc/98/85/35/566988535.db2.gz APUHDMQJAGAVNI-UHFFFAOYSA-N 0 2 376.463 3.018 10 0 GGAELN Cc1ccsc1-c1nsc(NS(=O)(=O)c2ccc3c(c2)CCC3)n1 ZINC000471946103 566988960 /nfs/dbraw/zinc/98/89/60/566988960.db2.gz ZFUAIDDZSRWVAV-UHFFFAOYSA-N 0 2 377.516 3.286 10 0 GGAELN Cc1ccsc1-c1nsc(NS(=O)(=O)c2cccc3ncccc32)n1 ZINC000471950088 566989053 /nfs/dbraw/zinc/98/90/53/566989053.db2.gz BCPNTRJJAAHPJM-UHFFFAOYSA-N 0 2 388.499 3.346 10 0 GGAELN Cc1[nH]ncc1CCCNS(=O)(=O)c1cc(Cl)cc(Br)c1 ZINC000656986914 566991209 /nfs/dbraw/zinc/99/12/09/566991209.db2.gz BWXSCKSYBLXJBK-UHFFFAOYSA-N 0 2 392.706 3.045 10 0 GGAELN CCn1nccc1S(=O)(=O)Nc1cc(Br)cc(OC(C)C)c1 ZINC000471984896 566992555 /nfs/dbraw/zinc/99/25/55/566992555.db2.gz IXGJRGIKTFWOHA-UHFFFAOYSA-N 0 2 388.287 3.254 10 0 GGAELN O=S(=O)(Nc1cc(F)cc(Cl)c1O)c1cc2c(cc1Cl)OCCO2 ZINC000471974167 566992565 /nfs/dbraw/zinc/99/25/65/566992565.db2.gz WVHRYTOCOQNKRZ-UHFFFAOYSA-N 0 2 394.207 3.410 10 0 GGAELN O=S(=O)(Nc1nnc(-c2ccco2)s1)c1cccnc1C(F)(F)F ZINC000564607307 566992713 /nfs/dbraw/zinc/99/27/13/566992713.db2.gz IQDPRWAMKXCICS-UHFFFAOYSA-N 0 2 376.341 3.013 10 0 GGAELN CO[C@H](CS(=O)(=O)Nc1cc(Br)ccc1OC(C)C)C1CC1 ZINC000584053803 567009122 /nfs/dbraw/zinc/00/91/22/567009122.db2.gz ZHAAWCCYLNAQOU-OAHLLOKOSA-N 0 2 392.315 3.403 10 0 GGAELN CC(=O)N[C@@H](CC(=O)N=c1nc(-c2sccc2C)[nH]s1)c1cccs1 ZINC000472255496 567012935 /nfs/dbraw/zinc/01/29/35/567012935.db2.gz FBDXAWIARGZMDZ-NSHDSACASA-N 0 2 392.531 3.264 10 0 GGAELN CCOc1ccc(OCC(=O)N=c2nc(-c3sccc3C)[nH]s2)cc1 ZINC000472288506 567015892 /nfs/dbraw/zinc/01/58/92/567015892.db2.gz SXVWGOUXKVWOEO-UHFFFAOYSA-N 0 2 375.475 3.413 10 0 GGAELN O=C(CN1CCN(C2CC2)C1=O)Nc1c(O)c(Cl)cc(Cl)c1Cl ZINC000613214284 567021388 /nfs/dbraw/zinc/02/13/88/567021388.db2.gz BICXXEYBLORZIA-UHFFFAOYSA-N 0 2 378.643 3.191 10 0 GGAELN Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C)[C@@H](C(=O)[O-])C2)c(Br)c1 ZINC000564966595 567026105 /nfs/dbraw/zinc/02/61/05/567026105.db2.gz XOMCDVKUNFKLAD-AGIUHOORSA-N 0 2 383.286 3.127 10 0 GGAELN Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](C)[C@@H](C(=O)[O-])C2)c(Br)c1 ZINC000564966595 567026108 /nfs/dbraw/zinc/02/61/08/567026108.db2.gz XOMCDVKUNFKLAD-AGIUHOORSA-N 0 2 383.286 3.127 10 0 GGAELN Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](C)[C@H](C(=O)[O-])C2)c(Br)c1 ZINC000564966606 567026164 /nfs/dbraw/zinc/02/61/64/567026164.db2.gz XOMCDVKUNFKLAD-RWMBFGLXSA-N 0 2 383.286 3.127 10 0 GGAELN Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](C)[C@H](C(=O)[O-])C2)c(Br)c1 ZINC000564966606 567026166 /nfs/dbraw/zinc/02/61/66/567026166.db2.gz XOMCDVKUNFKLAD-RWMBFGLXSA-N 0 2 383.286 3.127 10 0 GGAELN O=C(N1CCC(c2n[nH]c(=O)[nH]2)CC1)C1(c2c(Cl)cccc2Cl)CC1 ZINC000565026261 567030924 /nfs/dbraw/zinc/03/09/24/567030924.db2.gz JUDMWBMMXJOWLM-UHFFFAOYSA-N 0 2 381.263 3.255 10 0 GGAELN CCn1nccc1S(=O)(=O)Nc1nc(C)c(Cc2ccc(C)cc2)s1 ZINC000545313988 567038185 /nfs/dbraw/zinc/03/81/85/567038185.db2.gz PPYGVJXGNARYKG-UHFFFAOYSA-N 0 2 376.507 3.368 10 0 GGAELN CC(C)C[C@@H](C)n1nccc1NS(=O)(=O)c1c(C(F)(F)F)cnn1C ZINC000634655250 567043641 /nfs/dbraw/zinc/04/36/41/567043641.db2.gz KEMJHBIKFSPBHV-SNVBAGLBSA-N 0 2 379.408 3.043 10 0 GGAELN CCCc1nnc(NS(=O)(=O)c2ccc(C(F)(F)C(F)(F)F)cc2)o1 ZINC000634657598 567044663 /nfs/dbraw/zinc/04/46/63/567044663.db2.gz SHLKISSUJNXJND-UHFFFAOYSA-N 0 2 385.314 3.477 10 0 GGAELN CC(C)(C)c1cnc(NS(=O)(=O)c2ccccc2Cn2ccnc2)s1 ZINC000545380450 567044624 /nfs/dbraw/zinc/04/46/24/567044624.db2.gz VPRMEAVAKKGWPE-UHFFFAOYSA-N 0 2 376.507 3.486 10 0 GGAELN CC(C)(C)c1cnc([N-]S(=O)(=O)c2ccccc2Cn2cc[nH+]c2)s1 ZINC000545380450 567044632 /nfs/dbraw/zinc/04/46/32/567044632.db2.gz VPRMEAVAKKGWPE-UHFFFAOYSA-N 0 2 376.507 3.486 10 0 GGAELN Cc1ccsc1-c1nsc(NS(=O)(=O)c2cnn(C3CCCC3)c2)n1 ZINC000634657417 567045290 /nfs/dbraw/zinc/04/52/90/567045290.db2.gz KAAPLDPFTVHMLR-UHFFFAOYSA-N 0 2 395.535 3.109 10 0 GGAELN CCCCn1cc(S(=O)(=O)Nc2ncc(-c3cccnc3)s2)c(C)n1 ZINC000634657872 567046542 /nfs/dbraw/zinc/04/65/42/567046542.db2.gz FPWOMHDLVIKCCR-UHFFFAOYSA-N 0 2 377.495 3.311 10 0 GGAELN CC(C)n1cnc(NS(=O)(=O)c2ccc(C(F)(F)C(F)(F)F)cc2)n1 ZINC000634658320 567046576 /nfs/dbraw/zinc/04/65/76/567046576.db2.gz CFYGGKBXZTZJFQ-UHFFFAOYSA-N 0 2 384.330 3.314 10 0 GGAELN C[C@H]1C[C@@H]1c1nnc(NS(=O)(=O)c2cccc(Br)c2Cl)o1 ZINC000634661880 567048439 /nfs/dbraw/zinc/04/84/39/567048439.db2.gz CUPDVNSTXYBWGC-BQBZGAKWSA-N 0 2 392.662 3.410 10 0 GGAELN COc1cc(C(F)(F)F)cc(S(=O)(=O)Nc2nnc([C@H]3C[C@@H]3C)o2)c1 ZINC000634662423 567048511 /nfs/dbraw/zinc/04/85/11/567048511.db2.gz MTNCHACWKMXXQG-CPCISQLKSA-N 0 2 377.344 3.021 10 0 GGAELN C[C@@H]1C[C@@H]1c1nnc(NS(=O)(=O)c2cccc(Br)c2Cl)o1 ZINC000634661883 567048567 /nfs/dbraw/zinc/04/85/67/567048567.db2.gz CUPDVNSTXYBWGC-RQJHMYQMSA-N 0 2 392.662 3.410 10 0 GGAELN COc1ccc2nc(NS(=O)(=O)c3cn4c(n3)CCC[C@@H]4C)sc2c1 ZINC000521361233 567056019 /nfs/dbraw/zinc/05/60/19/567056019.db2.gz YECOIMDXUFSCKJ-JTQLQIEISA-N 0 2 378.479 3.200 10 0 GGAELN O=C(c1cc(Br)cc(Cl)c1O)N1CCO[C@H](C(F)F)CC1 ZINC000634742274 567056818 /nfs/dbraw/zinc/05/68/18/567056818.db2.gz GEHZLXLBMFBUIL-JTQLQIEISA-N 0 2 384.604 3.304 10 0 GGAELN C[C@]1(C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)C[C@H]2C[C@H]2C1 ZINC000657519346 567065059 /nfs/dbraw/zinc/06/50/59/567065059.db2.gz XMEARXPWZZXVIQ-PBKGOJFUSA-N 0 2 377.491 3.319 10 0 GGAELN CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]Cc2c[nH+]c3c(C)cc(Br)cn23)C1 ZINC000657577077 567073209 /nfs/dbraw/zinc/07/32/09/567073209.db2.gz OKXCFHTUWLRGGA-XKQJLSEDSA-N 0 2 396.329 3.061 10 0 GGAELN CC1(c2noc(-c3ccc(NS(=O)(=O)c4cccs4)cc3O)n2)CC1 ZINC000453324510 567074884 /nfs/dbraw/zinc/07/48/84/567074884.db2.gz SXFWLDYJLFVPPB-UHFFFAOYSA-N 0 2 377.447 3.356 10 0 GGAELN CC(C)Oc1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)nn1 ZINC000521968797 567089544 /nfs/dbraw/zinc/08/95/44/567089544.db2.gz DZMFFPCFPKXHGP-UHFFFAOYSA-N 0 2 379.335 3.223 10 0 GGAELN COC(=O)c1cc(Cl)cc(NS(=O)(=O)c2ccc3ncsc3c2)c1O ZINC000586750688 567093019 /nfs/dbraw/zinc/09/30/19/567093019.db2.gz LZVSBVDNUWRSBP-UHFFFAOYSA-N 0 2 398.849 3.243 10 0 GGAELN Cc1ccsc1-c1nc(=NC(=O)N2CCC[C@]3(CCCOC3)C2)s[nH]1 ZINC000546036478 567097135 /nfs/dbraw/zinc/09/71/35/567097135.db2.gz LNCZJVAOZVYVDT-KRWDZBQOSA-N 0 2 378.523 3.421 10 0 GGAELN Cc1ccsc1-c1nc(=NC(=O)N2CCC[C@H]2C2CCOCC2)s[nH]1 ZINC000546038115 567097426 /nfs/dbraw/zinc/09/74/26/567097426.db2.gz HDWMLBKJCHXTJP-ZDUSSCGKSA-N 0 2 378.523 3.420 10 0 GGAELN Cc1ccsc1-c1nc(=NC(=O)NCCOc2ccccc2F)s[nH]1 ZINC000473819113 567104445 /nfs/dbraw/zinc/10/44/45/567104445.db2.gz MWYPUDFHIMQKJN-UHFFFAOYSA-N 0 2 378.454 3.337 10 0 GGAELN Cc1ccsc1-c1nc(=NC(=O)NCCSCC(F)(F)F)s[nH]1 ZINC000473829018 567104457 /nfs/dbraw/zinc/10/44/57/567104457.db2.gz YWXHXTSEFSKYII-UHFFFAOYSA-N 0 2 382.458 3.414 10 0 GGAELN Cc1ccsc1-c1nc(=NC(=O)N[C@@](C)(CO)C2CCCCC2)s[nH]1 ZINC000473835482 567106386 /nfs/dbraw/zinc/10/63/86/567106386.db2.gz DKYJHRAKBBEXFK-KRWDZBQOSA-N 0 2 380.539 3.450 10 0 GGAELN COc1cc(F)cc(CNC(=O)N=c2nc(-c3sccc3C)[nH]s2)c1 ZINC000473835985 567106544 /nfs/dbraw/zinc/10/65/44/567106544.db2.gz KUIJBCZOEGZXIQ-UHFFFAOYSA-N 0 2 378.454 3.466 10 0 GGAELN COCC[C@@H](NC(=O)N=c1nc(-c2sccc2C)[nH]s1)c1ccco1 ZINC000473832477 567106657 /nfs/dbraw/zinc/10/66/57/567106657.db2.gz VLYQRZRKUSGIGT-LLVKDONJSA-N 0 2 378.479 3.489 10 0 GGAELN Cc1nc2cc(=O)[nH]n2c(C)c1CNC(=O)c1c(Cl)cc(F)cc1Cl ZINC000431839329 567111786 /nfs/dbraw/zinc/11/17/86/567111786.db2.gz CFHJCLMELPZJAY-UHFFFAOYSA-N 0 2 383.210 3.428 10 0 GGAELN Cc1cnc(N)c(S(=O)(=O)Nc2ccccc2O[C@H](C)C(F)(F)F)c1 ZINC000566031725 567119992 /nfs/dbraw/zinc/11/99/92/567119992.db2.gz ZVONIAYQGIXXPN-SNVBAGLBSA-N 0 2 375.372 3.103 10 0 GGAELN O=C(Nc1cccc(-c2n[nH]c(=O)[nH]2)c1)c1n[nH]c2ccc(Br)cc21 ZINC000566059515 567122187 /nfs/dbraw/zinc/12/21/87/567122187.db2.gz GOIFDGHFDWTSNI-UHFFFAOYSA-N 0 2 399.208 3.068 10 0 GGAELN CC(C)c1n[nH]c(=NC[C@H](CO)Cc2ccc(OC(F)(F)F)cc2)s1 ZINC000432039061 567125429 /nfs/dbraw/zinc/12/54/29/567125429.db2.gz USZIILOAVGCQRZ-GFCCVEGCSA-N 0 2 375.416 3.245 10 0 GGAELN CC(C)c1n[nH]c(=NC[C@@H](CO)Cc2ccc(OC(F)(F)F)cc2)s1 ZINC000432039062 567126148 /nfs/dbraw/zinc/12/61/48/567126148.db2.gz USZIILOAVGCQRZ-LBPRGKRZSA-N 0 2 375.416 3.245 10 0 GGAELN O=C(c1cc(F)c([O-])c(Cl)c1)N(CCn1cc[nH+]c1)C1CCSCC1 ZINC000614672692 567132020 /nfs/dbraw/zinc/13/20/20/567132020.db2.gz XXJIMKBVCZJJTI-UHFFFAOYSA-N 0 2 383.876 3.419 10 0 GGAELN Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)N2CCCSCC2)cc1 ZINC000522915269 567137875 /nfs/dbraw/zinc/13/78/75/567137875.db2.gz SONHZNRKIFLGBU-UHFFFAOYSA-N 0 2 396.559 3.436 10 0 GGAELN COC(=O)c1cccc(Cc2cnc(NS(=O)(=O)CCC3CC3)s2)c1 ZINC000546562806 567138183 /nfs/dbraw/zinc/13/81/83/567138183.db2.gz KDSYEABGEFOWSP-UHFFFAOYSA-N 0 2 380.491 3.062 10 0 GGAELN CCc1ncc(S(=O)(=O)Nc2cccc(-c3n[nH]c(C4CC4)n3)c2)s1 ZINC000546595852 567140835 /nfs/dbraw/zinc/14/08/35/567140835.db2.gz YIQGGOFMHQCZIT-UHFFFAOYSA-N 0 2 375.479 3.169 10 0 GGAELN CC(C)c1n[nH]c(=NCCC(=O)N(C)Cc2ccccc2Br)s1 ZINC000432250633 567141006 /nfs/dbraw/zinc/14/10/06/567141006.db2.gz LHNPEOPTIZQNTE-UHFFFAOYSA-N 0 2 397.342 3.307 10 0 GGAELN Cc1ccc(Cl)c(S(=O)(=O)Nc2ccc3c(c2)OCC(=O)N3)c1Cl ZINC000614867861 567144951 /nfs/dbraw/zinc/14/49/51/567144951.db2.gz MMGNQDJCEMTJIH-UHFFFAOYSA-N 0 2 387.244 3.434 10 0 GGAELN Cc1nnc(SCCC(=O)Nc2c(O)cc(Br)cc2Cl)[nH]1 ZINC000566279995 567145514 /nfs/dbraw/zinc/14/55/14/567145514.db2.gz BIRHEVVKMNNHSZ-UHFFFAOYSA-N 0 2 391.678 3.356 10 0 GGAELN CCOC(=O)c1sc(NS(=O)(=O)c2cccnc2C(F)(F)F)cc1C ZINC000588943591 567145797 /nfs/dbraw/zinc/14/57/97/567145797.db2.gz DHEHUFVSXRAAEK-UHFFFAOYSA-N 0 2 394.396 3.448 10 0 GGAELN O=C(N=c1ccc(C2CC2)n[nH]1)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000523166230 567146192 /nfs/dbraw/zinc/14/61/92/567146192.db2.gz QTTWSPFGFOIBBG-UHFFFAOYSA-N 0 2 385.221 3.045 10 0 GGAELN COCCn1cc(S(=O)(=O)Nc2cc(Cl)c(Cl)c(Cl)c2)cn1 ZINC000566307419 567147045 /nfs/dbraw/zinc/14/70/45/567147045.db2.gz AQCSDCCXRPZADY-UHFFFAOYSA-N 0 2 384.672 3.291 10 0 GGAELN Cc1ccsc1-c1nc(=NC(=O)N[C@H](C)c2nnc(C(C)C)[nH]2)s[nH]1 ZINC000546745117 567152387 /nfs/dbraw/zinc/15/23/87/567152387.db2.gz LNACKWOIVFTGGM-SECBINFHSA-N 0 2 377.499 3.121 10 0 GGAELN COc1cccc(COCC(=O)N=c2nc(-c3sccc3C)[nH]s2)c1 ZINC000546730149 567152861 /nfs/dbraw/zinc/15/28/61/567152861.db2.gz SXUWFZGQNZZZFV-UHFFFAOYSA-N 0 2 375.475 3.161 10 0 GGAELN Cc1ccsc1-c1nc(=NC(=O)NC[C@]2(C)CCO[C@H]2C2CC2)s[nH]1 ZINC000546743144 567153281 /nfs/dbraw/zinc/15/32/81/567153281.db2.gz PLYDWTLUQGFEQF-GUYCJALGSA-N 0 2 378.523 3.324 10 0 GGAELN O=S(=O)([N-]c1nc2ccsc2s1)c1ccccc1Cn1cc[nH+]c1 ZINC000546795599 567159328 /nfs/dbraw/zinc/15/93/28/567159328.db2.gz YQZRXPYBPJQVLL-UHFFFAOYSA-N 0 2 376.488 3.403 10 0 GGAELN CC(C)Oc1cc(NS(=O)(=O)c2cccc(Cl)c2F)ccc1C(N)=O ZINC000432492314 567164114 /nfs/dbraw/zinc/16/41/14/567164114.db2.gz XYSDKDQHYJRUEW-UHFFFAOYSA-N 0 2 386.832 3.166 10 0 GGAELN CO[C@H](CS(=O)(=O)Nc1cc(Cl)ccc1OC[C@H]1CCCO1)C1CC1 ZINC000566561592 567167658 /nfs/dbraw/zinc/16/76/58/567167658.db2.gz KDFDROXEFXFERB-RHSMWYFYSA-N 0 2 389.901 3.065 10 0 GGAELN CO[C@@H](CS(=O)(=O)Nc1cc(Cl)ccc1OC[C@H]1CCCO1)C1CC1 ZINC000566561590 567168042 /nfs/dbraw/zinc/16/80/42/567168042.db2.gz KDFDROXEFXFERB-PBHICJAKSA-N 0 2 389.901 3.065 10 0 GGAELN Cc1cc(Br)cc(C)c1S(=O)(=O)Nc1ccc2nn[nH]c2c1 ZINC000474413572 567168454 /nfs/dbraw/zinc/16/84/54/567168454.db2.gz RQJYMCUURLRNPO-UHFFFAOYSA-N 0 2 381.255 3.138 10 0 GGAELN CCCc1cc(NS(=O)(=O)c2cnn(-c3ccc(Cl)cc3)c2C)[nH]n1 ZINC000474427250 567169822 /nfs/dbraw/zinc/16/98/22/567169822.db2.gz OMTZSEZQLBGNCF-UHFFFAOYSA-N 0 2 379.873 3.311 10 0 GGAELN Cc1cc(Br)cc(C)c1S(=O)(=O)Nc1ccc(N(C)C)cn1 ZINC000523878306 567175050 /nfs/dbraw/zinc/17/50/50/567175050.db2.gz KZKHSYJBEFMBCL-UHFFFAOYSA-N 0 2 384.299 3.328 10 0 GGAELN O=C(NCc1nnc(COc2ccccc2)[nH]1)c1csc(Br)c1 ZINC000474597437 567180767 /nfs/dbraw/zinc/18/07/67/567180767.db2.gz WTWRNEWKHNQKBW-UHFFFAOYSA-N 0 2 393.266 3.138 10 0 GGAELN Cc1noc([C@H]2CCCCN2C(=O)N=c2nc(-c3ccsc3)[nH]s2)n1 ZINC000566697091 567181626 /nfs/dbraw/zinc/18/16/26/567181626.db2.gz KOKLOVJTRXIEFE-LLVKDONJSA-N 0 2 376.467 3.139 10 0 GGAELN COC(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cnccc1C(F)(F)F ZINC000615442797 567184293 /nfs/dbraw/zinc/18/42/93/567184293.db2.gz KMHLGBDOZAIODA-UHFFFAOYSA-N 0 2 394.758 3.341 10 0 GGAELN COC(=O)c1sc(NS(=O)(=O)c2cnccc2C(F)(F)F)cc1C ZINC000615442819 567185361 /nfs/dbraw/zinc/18/53/61/567185361.db2.gz QWIUQRYRFZCHQM-UHFFFAOYSA-N 0 2 380.369 3.058 10 0 GGAELN COC(=O)c1csc(NS(=O)(=O)c2cnccc2C(F)(F)F)c1C ZINC000615448867 567185382 /nfs/dbraw/zinc/18/53/82/567185382.db2.gz LWGVHLULSKJTHI-UHFFFAOYSA-N 0 2 380.369 3.058 10 0 GGAELN CC(C)(NC(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1)C(F)F ZINC000684232666 567190713 /nfs/dbraw/zinc/19/07/13/567190713.db2.gz QNNANVNGOGBELE-UHFFFAOYSA-N 0 2 390.437 3.109 10 0 GGAELN COc1cccc(-c2nc(=NC(=O)c3nc(SC)ncc3Cl)s[nH]2)c1 ZINC000524547035 567202428 /nfs/dbraw/zinc/20/24/28/567202428.db2.gz GQQGSDRXHYSEHM-UHFFFAOYSA-N 0 2 393.881 3.053 10 0 GGAELN CC(C)(NC(=O)Cc1ccc(NS(=O)(=O)c2cccs2)cc1)C(F)F ZINC000684342775 567202774 /nfs/dbraw/zinc/20/27/74/567202774.db2.gz QNKWLVXLGBTCQB-UHFFFAOYSA-N 0 2 388.461 3.251 10 0 GGAELN CCSCc1ccnc(NS(=O)(=O)c2ccc(C(=O)OC)cc2C)c1 ZINC000566920958 567203462 /nfs/dbraw/zinc/20/34/62/567203462.db2.gz FVWGHQMZPMRYKM-UHFFFAOYSA-N 0 2 380.491 3.231 10 0 GGAELN CO[C@H](C)c1nc(CNC(=O)N=c2nc(-c3sccc3C)[nH]s2)cs1 ZINC000547449939 567210997 /nfs/dbraw/zinc/21/09/97/567210997.db2.gz UQCPIPIEFCDXOJ-SECBINFHSA-N 0 2 395.535 3.483 10 0 GGAELN CO[C@@H](C)c1nc(CNC(=O)N=c2nc(-c3sccc3C)[nH]s2)cs1 ZINC000547449940 567212161 /nfs/dbraw/zinc/21/21/61/567212161.db2.gz UQCPIPIEFCDXOJ-VIFPVBQESA-N 0 2 395.535 3.483 10 0 GGAELN CO[C@@H](CS(=O)(=O)Nc1nc(C)c(Cc2cccc(F)c2)s1)C1CC1 ZINC000567048816 567213660 /nfs/dbraw/zinc/21/36/60/567213660.db2.gz QXPVYEGQSPKWMF-HNNXBMFYSA-N 0 2 384.498 3.348 10 0 GGAELN CO[C@H](CS(=O)(=O)Nc1nc(C)c(Cc2cccc(F)c2)s1)C1CC1 ZINC000567048817 567213937 /nfs/dbraw/zinc/21/39/37/567213937.db2.gz QXPVYEGQSPKWMF-OAHLLOKOSA-N 0 2 384.498 3.348 10 0 GGAELN CC(C)(C)[N@@H+]1CCc2nc([N-]S(=O)(=O)c3cncc(Cl)c3)sc2C1 ZINC000567159834 567223564 /nfs/dbraw/zinc/22/35/64/567223564.db2.gz UIDPIDLDADRFAW-UHFFFAOYSA-N 0 2 386.930 3.149 10 0 GGAELN CC(C)(C)[N@H+]1CCc2nc([N-]S(=O)(=O)c3cncc(Cl)c3)sc2C1 ZINC000567159834 567223568 /nfs/dbraw/zinc/22/35/68/567223568.db2.gz UIDPIDLDADRFAW-UHFFFAOYSA-N 0 2 386.930 3.149 10 0 GGAELN O=S(=O)(Nc1ccc(-c2ccc(Cl)s2)cn1)c1cnc2n1CCC2 ZINC000433172161 567229547 /nfs/dbraw/zinc/22/95/47/567229547.db2.gz GODKUECWCDHDEF-UHFFFAOYSA-N 0 2 380.882 3.407 10 0 GGAELN CC(=O)NCCc1ccc(S(=O)(=O)Nc2ccc(F)c(C3CC3)c2)s1 ZINC000525189920 567234391 /nfs/dbraw/zinc/23/43/91/567234391.db2.gz KIXXBBWYODWXBH-UHFFFAOYSA-N 0 2 382.482 3.244 10 0 GGAELN CO[C@@H](C)c1cccc(NS(=O)(=O)c2cnc3c(Cl)c(C)nn3c2)c1 ZINC000499291794 567235314 /nfs/dbraw/zinc/23/53/14/567235314.db2.gz PPQMQPPISHIGQT-NSHDSACASA-N 0 2 380.857 3.199 10 0 GGAELN CC[C@H](COCC(F)(F)F)NC(=O)N=c1nc(-c2ccsc2)[nH]s1 ZINC000455136605 567236718 /nfs/dbraw/zinc/23/67/18/567236718.db2.gz ICWGZIJSIACOEM-SECBINFHSA-N 0 2 380.417 3.168 10 0 GGAELN C[C@H](CN=c1[nH]nc(C2CCOCC2)s1)Oc1cccc(Br)c1 ZINC000567452441 567248443 /nfs/dbraw/zinc/24/84/43/567248443.db2.gz XGVHLNXQIRCHKM-LLVKDONJSA-N 0 2 398.326 3.496 10 0 GGAELN COc1ccc(NS(=O)(=O)c2ccc(Cl)cc2Br)nc1 ZINC000685005843 567252934 /nfs/dbraw/zinc/25/29/34/567252934.db2.gz VYSQNIPQRDQWQU-UHFFFAOYSA-N 0 2 377.647 3.307 10 0 GGAELN Cc1ncc(NS(=O)(=O)c2ccc(F)cc2Br)c(C2CC2)n1 ZINC000685007303 567253195 /nfs/dbraw/zinc/25/31/95/567253195.db2.gz PTOKRJXMNXSEDZ-UHFFFAOYSA-N 0 2 386.246 3.365 10 0 GGAELN COc1ccc(Br)c(S(=O)(=O)Nc2cnc(C)nc2C2CC2)c1 ZINC000685006726 567253209 /nfs/dbraw/zinc/25/32/09/567253209.db2.gz GTIVJMMDFZDHQP-UHFFFAOYSA-N 0 2 398.282 3.234 10 0 GGAELN CC(C)(CO)[C@@H](NC(=O)c1cc(Br)c(F)cc1O)c1cccnc1 ZINC000616836475 567263503 /nfs/dbraw/zinc/26/35/03/567263503.db2.gz IZJXHZFNJWMYSL-HNNXBMFYSA-N 0 2 397.244 3.178 10 0 GGAELN CC(C)(CO)[C@H](NC(=O)c1cc(Br)c(F)cc1O)c1cccnc1 ZINC000616836476 567263685 /nfs/dbraw/zinc/26/36/85/567263685.db2.gz IZJXHZFNJWMYSL-OAHLLOKOSA-N 0 2 397.244 3.178 10 0 GGAELN CN(c1nc(CSc2nc(=O)cc(O)n2C2CCCC2)cs1)C1CC1 ZINC000475756738 567272743 /nfs/dbraw/zinc/27/27/43/567272743.db2.gz QAADMYSIHGLMIF-UHFFFAOYSA-N 0 2 378.523 3.411 10 0 GGAELN CCc1noc(C)c1NS(=O)(=O)c1ccc(OC)cc1Br ZINC000475816537 567278731 /nfs/dbraw/zinc/27/87/31/567278731.db2.gz VCDACVKYDLIKNF-UHFFFAOYSA-N 0 2 375.244 3.117 10 0 GGAELN O=c1[nH]nc(SCCOc2c(Br)cccc2Br)[nH]1 ZINC000475894263 567285607 /nfs/dbraw/zinc/28/56/07/567285607.db2.gz DFFKLCGTXUDKTB-UHFFFAOYSA-N 0 2 395.076 3.206 10 0 GGAELN O=C(N=c1nc(-c2ccsc2)[nH]s1)c1ccc(OCC(F)(F)F)cn1 ZINC000433980575 567286203 /nfs/dbraw/zinc/28/62/03/567286203.db2.gz XHAIVHGCVQOFRY-UHFFFAOYSA-N 0 2 386.380 3.277 10 0 GGAELN CCOc1cc(Br)c(F)cc1NS(=O)(=O)C[C@@H](OC)C1CC1 ZINC000567870675 567287006 /nfs/dbraw/zinc/28/70/06/567287006.db2.gz IYSMESBPHAJTJD-CQSZACIVSA-N 0 2 396.278 3.154 10 0 GGAELN Cc1cc(Br)ccc1CN(C)C(=O)N=c1ncn(C(C)(C)C)[nH]1 ZINC000434218279 567300327 /nfs/dbraw/zinc/30/03/27/567300327.db2.gz WVLPOXGXSGGXON-UHFFFAOYSA-N 0 2 380.290 3.190 10 0 GGAELN O=C(N=c1ncn(C2CCCCC2)[nH]1)NCc1ccc(F)cc1Br ZINC000548322025 567307963 /nfs/dbraw/zinc/30/79/63/567307963.db2.gz AWPVVVMFULWKAA-UHFFFAOYSA-N 0 2 396.264 3.429 10 0 GGAELN Cc1cc(S(=O)(=O)Nc2cc([C@@H]3CCCO3)[nH]n2)ccc1Br ZINC000568197414 567312256 /nfs/dbraw/zinc/31/22/56/567312256.db2.gz PUPCOTSQELTIAE-ZDUSSCGKSA-N 0 2 386.271 3.133 10 0 GGAELN COc1cccc(-c2nc(=NC(=O)c3ccc(Br)o3)s[nH]2)c1 ZINC000476319259 567314518 /nfs/dbraw/zinc/31/45/18/567314518.db2.gz CMQXJKGFZSQTGI-UHFFFAOYSA-N 0 2 380.223 3.243 10 0 GGAELN Cn1nccc1S(=O)(=O)Nc1ccc(C(F)(F)F)c(Br)c1 ZINC000527286017 567327461 /nfs/dbraw/zinc/32/74/61/567327461.db2.gz XEVJCRDZFCZZNM-UHFFFAOYSA-N 0 2 384.177 3.002 10 0 GGAELN O=S(=O)(Nc1nc2c(cccc2C(F)(F)F)s1)c1cnc2n1CCC2 ZINC000527357030 567333796 /nfs/dbraw/zinc/33/37/96/567333796.db2.gz VFJGGVBOIVJOGQ-UHFFFAOYSA-N 0 2 388.396 3.259 10 0 GGAELN CCOC(=O)c1cc(CC)sc1NS(=O)(=O)CCCC1CCOCC1 ZINC000592382341 567335484 /nfs/dbraw/zinc/33/54/84/567335484.db2.gz MTTSPAZVWLMTKM-UHFFFAOYSA-N 0 2 389.539 3.436 10 0 GGAELN CCOC(=O)c1nc(NS(=O)(=O)c2cc3cccc(C)c3s2)oc1C ZINC000592383354 567335573 /nfs/dbraw/zinc/33/55/73/567335573.db2.gz OYTVECRGAVGQQF-UHFFFAOYSA-N 0 2 380.447 3.484 10 0 GGAELN COC(=O)c1ccc(S(=O)(=O)Nc2n[nH]c3c2cccc3Cl)c(C)c1 ZINC000434971749 567338221 /nfs/dbraw/zinc/33/82/21/567338221.db2.gz CNYTWVKFBVIZKG-UHFFFAOYSA-N 0 2 379.825 3.112 10 0 GGAELN Cc1n[nH]cc1-c1nnc(NS(=O)(=O)c2c(C)c(C)cc(C)c2C)s1 ZINC000548700067 567343052 /nfs/dbraw/zinc/34/30/52/567343052.db2.gz AZBZCXDGZWZKJN-UHFFFAOYSA-N 0 2 377.495 3.271 10 0 GGAELN O=S(=O)(Nc1cc(Cl)c(Cl)cn1)c1cncc(Br)c1 ZINC000476913623 567357895 /nfs/dbraw/zinc/35/78/95/567357895.db2.gz KWJONRRJZCLEJN-UHFFFAOYSA-N 0 2 383.054 3.347 10 0 GGAELN COC(=O)c1sc(NS(=O)(=O)c2ccc(F)cc2C)nc1C(C)(C)C ZINC000476926409 567358582 /nfs/dbraw/zinc/35/85/82/567358582.db2.gz VIBHATQHCSYTRP-UHFFFAOYSA-N 0 2 386.470 3.476 10 0 GGAELN Cc1cc(C(F)(F)F)ccc1S(=O)(=O)Nc1cc([C@@H]2CCCO2)[nH]n1 ZINC000548982946 567363797 /nfs/dbraw/zinc/36/37/97/567363797.db2.gz GDGZYMSJKCALFV-LBPRGKRZSA-N 0 2 375.372 3.389 10 0 GGAELN Cc1cc(C(F)(F)F)ccc1S(=O)(=O)Nc1cc([C@H]2CCCO2)[nH]n1 ZINC000548982945 567364233 /nfs/dbraw/zinc/36/42/33/567364233.db2.gz GDGZYMSJKCALFV-GFCCVEGCSA-N 0 2 375.372 3.389 10 0 GGAELN COc1ccc(NC(=O)c2cccc(Br)c2O)c(OC)c1OC ZINC000592868414 567371680 /nfs/dbraw/zinc/37/16/80/567371680.db2.gz DWIKGFLCOHUYHY-UHFFFAOYSA-N 0 2 382.210 3.433 10 0 GGAELN COc1cc(Br)cc(S(=O)(=O)Nc2cnc(CC3CC3)nc2)c1 ZINC000568994043 567372836 /nfs/dbraw/zinc/37/28/36/567372836.db2.gz SCVAUUBJUAAOBB-UHFFFAOYSA-N 0 2 398.282 3.001 10 0 GGAELN O=C(Nc1nc(-c2ccc(Br)cc2F)n[nH]1)[C@H]1C[C@@H]1C(F)F ZINC000549183844 567378748 /nfs/dbraw/zinc/37/87/48/567378748.db2.gz IMSZWDKNSPCVGE-YUMQZZPRSA-N 0 2 375.148 3.213 10 0 GGAELN Cc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)[nH]n2)c(Br)c1 ZINC000435719164 567384821 /nfs/dbraw/zinc/38/48/21/567384821.db2.gz JEBFQLNTQBOHOU-UHFFFAOYSA-N 0 2 384.177 3.300 10 0 GGAELN Cc1cc(S(=O)(=O)Nc2cc(C(F)(F)F)[nH]n2)ccc1Br ZINC000435719629 567386106 /nfs/dbraw/zinc/38/61/06/567386106.db2.gz OPTAWUGVIZIVJX-UHFFFAOYSA-N 0 2 384.177 3.300 10 0 GGAELN COC[C@@](C)(NS(=O)(=O)c1c(Cl)cc(F)cc1Cl)C(F)(F)F ZINC000435902457 567395555 /nfs/dbraw/zinc/39/55/55/567395555.db2.gz MMKTWZUSWYZNAH-SNVBAGLBSA-N 0 2 384.178 3.378 10 0 GGAELN CC[C@@](C)(NC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1)C1CC1 ZINC000618956570 567427382 /nfs/dbraw/zinc/42/73/82/567427382.db2.gz PANQHQSBPTYACV-QGZVFWFLSA-N 0 2 379.507 3.252 10 0 GGAELN Cn1nc2c(c1CNC(=O)c1cc(Br)cc(Cl)c1O)CCCC2 ZINC000436640216 567440397 /nfs/dbraw/zinc/44/03/97/567440397.db2.gz HNJPAHXHSLXOEX-UHFFFAOYSA-N 0 2 398.688 3.350 10 0 GGAELN C[C@@H]1[C@H](C(F)(F)F)OCCN1C(=O)c1cc(Br)c(F)cc1O ZINC000619269778 567442545 /nfs/dbraw/zinc/44/25/45/567442545.db2.gz LKPOYICTZJHMAL-KSBSHMNSSA-N 0 2 386.139 3.086 10 0 GGAELN O=C(NCc1ccc(CO)c(F)c1)c1cc(Cl)cc(Br)c1O ZINC000436679064 567442812 /nfs/dbraw/zinc/44/28/12/567442812.db2.gz JHYOUQODQCEWSA-UHFFFAOYSA-N 0 2 388.620 3.370 10 0 GGAELN CS(=O)(=O)c1cc(NC(=O)c2cc(F)c(O)c(Cl)c2)ccc1Cl ZINC000436705040 567444400 /nfs/dbraw/zinc/44/44/00/567444400.db2.gz IZOLVCVSPLVVMK-UHFFFAOYSA-N 0 2 378.208 3.494 10 0 GGAELN CCc1oncc1NS(=O)(=O)c1cc(Br)cc2cccnc21 ZINC000569959661 567446681 /nfs/dbraw/zinc/44/66/81/567446681.db2.gz WJORPHOOFNVCPB-UHFFFAOYSA-N 0 2 382.239 3.349 10 0 GGAELN CCc1coc(NC(=O)c2cccc(NS(=O)(=O)c3cccs3)c2)n1 ZINC000569990809 567450031 /nfs/dbraw/zinc/45/00/31/567450031.db2.gz FWJXEQXBRHCKBM-UHFFFAOYSA-N 0 2 377.447 3.352 10 0 GGAELN CC(C)CN(Cc1cnn(C)c1)C(=O)c1cc(Br)c(F)cc1O ZINC000457344860 567458911 /nfs/dbraw/zinc/45/89/11/567458911.db2.gz QEOCMYNEDCFIGW-UHFFFAOYSA-N 0 2 384.249 3.326 10 0 GGAELN O=C(N[C@H](CO)c1ccsc1)c1cc(Cl)cc(Br)c1O ZINC000436915001 567465809 /nfs/dbraw/zinc/46/58/09/567465809.db2.gz MKDFZFBPEFUOAE-LLVKDONJSA-N 0 2 376.659 3.333 10 0 GGAELN Cc1cc(S(=O)(=O)NC(=O)[C@H]2[C@@H]3c4cccc(Cl)c4C[C@H]23)c(C)s1 ZINC000528939394 567470174 /nfs/dbraw/zinc/47/01/74/567470174.db2.gz NSHDYAMSFZKRGU-APHBMKBZSA-N 0 2 381.906 3.409 10 0 GGAELN COC[C@@](C)(NS(=O)(=O)c1sc(C)cc1Br)C(F)(F)F ZINC000479143628 567508542 /nfs/dbraw/zinc/50/85/42/567508542.db2.gz VIMJMWOQWOXBJW-SECBINFHSA-N 0 2 396.250 3.065 10 0 GGAELN CCCc1ccc(Cl)c(S(=O)(=O)Nc2ccc(C(=O)N(C)C)cn2)c1 ZINC000551014927 567472358 /nfs/dbraw/zinc/47/23/58/567472358.db2.gz ILFPGZXPTWSFJW-UHFFFAOYSA-N 0 2 381.885 3.190 10 0 GGAELN O=C(N=c1nc(-c2ccsc2)[nH]s1)N1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000570407221 567481937 /nfs/dbraw/zinc/48/19/37/567481937.db2.gz IJVBSJXLNIRLJS-MGPQQGTHSA-N 0 2 378.523 3.236 10 0 GGAELN CC1(C)Cc2n[nH]cc2CN(C(=O)c2cc(Br)c(F)cc2O)C1 ZINC000663197196 567482186 /nfs/dbraw/zinc/48/21/86/567482186.db2.gz HOVGYCXGPPDRHG-UHFFFAOYSA-N 0 2 382.233 3.242 10 0 GGAELN Cn1cc(NS(=O)(=O)c2ccc(C(F)(F)F)s2)c(-c2ccccn2)n1 ZINC000642937576 567488806 /nfs/dbraw/zinc/48/88/06/567488806.db2.gz GRWIEPAJNHYXHO-UHFFFAOYSA-N 0 2 388.396 3.363 10 0 GGAELN Cc1ccsc1-c1nc(=NC(=O)N[C@@H](CO)c2sccc2C)s[nH]1 ZINC000570496313 567490376 /nfs/dbraw/zinc/49/03/76/567490376.db2.gz KZCPMPIBMFCSSG-JTQLQIEISA-N 0 2 380.520 3.222 10 0 GGAELN CCc1nc(S(=O)(=O)Nc2nnc(CCC(C)C)s2)cn1CC1CC1 ZINC000663299947 567492987 /nfs/dbraw/zinc/49/29/87/567492987.db2.gz OELUUYMVWXSQLV-UHFFFAOYSA-N 0 2 383.543 3.096 10 0 GGAELN COCc1csc(NS(=O)(=O)c2ccc(OC)c(Cl)c2Cl)n1 ZINC000437336799 567493228 /nfs/dbraw/zinc/49/32/28/567493228.db2.gz LJEGWTHIOWGZDV-UHFFFAOYSA-N 0 2 383.278 3.406 10 0 GGAELN COc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1cc(Cl)c(Cl)cn1 ZINC000437341888 567494140 /nfs/dbraw/zinc/49/41/40/567494140.db2.gz XSJLLDKYFJLEST-UHFFFAOYSA-N 0 2 390.248 3.156 10 0 GGAELN CCOc1ccc(NS(=O)(=O)c2cc3c(cc2Cl)OCCO3)nc1C ZINC000663302012 567494310 /nfs/dbraw/zinc/49/43/10/567494310.db2.gz XGXCQNIDDZSWBG-UHFFFAOYSA-N 0 2 384.841 3.014 10 0 GGAELN Cc1cc(Br)c(S(=O)(=O)Nc2ccc(N(C)C)nc2)s1 ZINC000437391096 567494556 /nfs/dbraw/zinc/49/45/56/567494556.db2.gz HBEMHQKOLXIZNI-UHFFFAOYSA-N 0 2 376.301 3.081 10 0 GGAELN C[C@H]1C[N@H+](Cc2c(Br)cccc2C(=O)[O-])C[C@@](C)(C(F)F)O1 ZINC000663318631 567496854 /nfs/dbraw/zinc/49/68/54/567496854.db2.gz WTLLIHYQEKSNIJ-VFZGTOFNSA-N 0 2 378.213 3.392 10 0 GGAELN C[C@H]1C[N@@H+](Cc2c(Br)cccc2C(=O)[O-])C[C@@](C)(C(F)F)O1 ZINC000663318631 567496861 /nfs/dbraw/zinc/49/68/61/567496861.db2.gz WTLLIHYQEKSNIJ-VFZGTOFNSA-N 0 2 378.213 3.392 10 0 GGAELN COC(=O)c1scc(C)c1S(=O)(=O)Nc1cnc(C(F)(F)F)c(C)c1 ZINC000594698888 567499785 /nfs/dbraw/zinc/49/97/85/567499785.db2.gz HHMXVYQPPVXJEM-UHFFFAOYSA-N 0 2 394.396 3.366 10 0 GGAELN CCC[C@@H](C(=O)OCC)n1ccc(NS(=O)(=O)c2cccc(Cl)c2)n1 ZINC000594702660 567500683 /nfs/dbraw/zinc/50/06/83/567500683.db2.gz RTFUPGFOEAPERR-AWEZNQCLSA-N 0 2 385.873 3.242 10 0 GGAELN O=S(=O)(Nc1ccc(Cl)c(Br)c1)c1cnc2n1CCC2 ZINC000437654950 567503096 /nfs/dbraw/zinc/50/30/96/567503096.db2.gz MPKAEEYHIXZUFQ-UHFFFAOYSA-N 0 2 376.663 3.046 10 0 GGAELN Cc1cc(Br)cc(S(=O)(=O)Nc2cnc(CC3CC3)nc2)c1 ZINC000551415181 567504210 /nfs/dbraw/zinc/50/42/10/567504210.db2.gz KVKUXLPCSHHGJQ-UHFFFAOYSA-N 0 2 382.283 3.301 10 0 GGAELN COc1ccc2c(c1)CCC[C@]2([NH2+]Cc1ccc(Br)o1)C(=O)[O-] ZINC000551421204 567504305 /nfs/dbraw/zinc/50/43/05/567504305.db2.gz XWSLKDZGCGQHFF-QGZVFWFLSA-N 0 2 380.238 3.457 10 0 GGAELN CCOC(=O)c1ccc(S(=O)(=O)Nc2nnc(CCC(C)C)s2)cc1 ZINC000594725998 567504995 /nfs/dbraw/zinc/50/49/95/567504995.db2.gz JQFNCVYNLCWJAG-UHFFFAOYSA-N 0 2 383.495 3.104 10 0 GGAELN COC[C@@](C)(NS(=O)(=O)c1csc(-c2ccccc2)n1)C(F)(F)F ZINC000479134790 567507496 /nfs/dbraw/zinc/50/74/96/567507496.db2.gz OEMRINGUBRZQGQ-CYBMUJFWSA-N 0 2 380.413 3.056 10 0 GGAELN O=S(=O)(Nc1ncc(Cc2ccccc2Cl)s1)c1cnc2n1CCC2 ZINC000437914688 567515232 /nfs/dbraw/zinc/51/52/32/567515232.db2.gz JNQCZGIGNUOZNC-UHFFFAOYSA-N 0 2 394.909 3.331 10 0 GGAELN COCc1cc(Cl)ccc1NS(=O)(=O)c1sc(NC(C)=O)nc1C ZINC000643627505 567515627 /nfs/dbraw/zinc/51/56/27/567515627.db2.gz HDHAHKMWJLLQNA-UHFFFAOYSA-N 0 2 389.886 3.011 10 0 GGAELN O=S(=O)(Nc1cc([C@H]2CCCO2)[nH]n1)c1ccc(OC(F)F)c(Cl)c1 ZINC000570876380 567520510 /nfs/dbraw/zinc/52/05/10/567520510.db2.gz OPXIXUYIEBHXSO-GFCCVEGCSA-N 0 2 393.799 3.317 10 0 GGAELN O=S(=O)(Nc1cc([C@@H]2CCCO2)[nH]n1)c1ccc(OC(F)F)c(Cl)c1 ZINC000570876381 567521154 /nfs/dbraw/zinc/52/11/54/567521154.db2.gz OPXIXUYIEBHXSO-LBPRGKRZSA-N 0 2 393.799 3.317 10 0 GGAELN CC(C)c1nn(C)cc1NS(=O)(=O)c1cc(F)ccc1Br ZINC000479283854 567522505 /nfs/dbraw/zinc/52/25/05/567522505.db2.gz OZNMUJQGMGNKRX-UHFFFAOYSA-N 0 2 376.251 3.246 10 0 GGAELN COC(=O)c1sc2ccccc2c1S(=O)(=O)Nc1cc(O)cc(F)c1 ZINC000504275738 567528392 /nfs/dbraw/zinc/52/83/92/567528392.db2.gz ZEAJULXJXIEGKP-UHFFFAOYSA-N 0 2 381.406 3.333 10 0 GGAELN CCOC(=O)[C@@H]1CC[C@H](NC(=O)c2cc(Br)cc(Cl)c2O)C1 ZINC000438510240 567533625 /nfs/dbraw/zinc/53/36/25/567533625.db2.gz HJYGSHXTBPFGMO-SCZZXKLOSA-N 0 2 390.661 3.270 10 0 GGAELN CCn1cc(S(=O)(=O)Nc2ncc(Cc3ccc(F)cc3)s2)nc1C ZINC000504496663 567536963 /nfs/dbraw/zinc/53/69/63/567536963.db2.gz NSUJODQVQTZYRS-UHFFFAOYSA-N 0 2 380.470 3.199 10 0 GGAELN CC1(C)CC(NC(=O)Cc2ccc(NS(=O)(=O)c3cccs3)cc2)C1 ZINC000620743605 567540037 /nfs/dbraw/zinc/54/00/37/567540037.db2.gz UJWCPPCTDQAHER-UHFFFAOYSA-N 0 2 378.519 3.396 10 0 GGAELN COc1cc(C(=O)N=c2nc(C3(C)CC3)[nH]s2)cc(Br)c1OC ZINC000529696760 567540789 /nfs/dbraw/zinc/54/07/89/567540789.db2.gz MESYRKATGDGESP-UHFFFAOYSA-N 0 2 398.282 3.044 10 0 GGAELN CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)N=c1nc(C2(C)CC2)[nH]s1 ZINC000529698740 567542314 /nfs/dbraw/zinc/54/23/14/567542314.db2.gz WOHNZOQZSRBQRH-LLVKDONJSA-N 0 2 398.941 3.120 10 0 GGAELN CC1(c2nc(=NC(=O)Cc3c[nH]c4cc(Br)ccc34)s[nH]2)CC1 ZINC000529700157 567542336 /nfs/dbraw/zinc/54/23/36/567542336.db2.gz XUMDBELMVIPQKV-UHFFFAOYSA-N 0 2 391.294 3.437 10 0 GGAELN CN(C)C(=O)Nc1ccc(C(=O)N=c2nc(C3(C)CC3)[nH]s2)c(Cl)c1 ZINC000529699523 567542478 /nfs/dbraw/zinc/54/24/78/567542478.db2.gz RNZJOLYHNVDTHU-UHFFFAOYSA-N 0 2 379.873 3.011 10 0 GGAELN C[C@@H](CN(C)C(=O)c1cc(Br)c(F)cc1O)C(=O)OC(C)(C)C ZINC000458409745 567545695 /nfs/dbraw/zinc/54/56/95/567545695.db2.gz ZNXXONRCPXRYDY-VIFPVBQESA-N 0 2 390.249 3.344 10 0 GGAELN CC12CC(C1)CN2C(=O)Cc1ccc(NS(=O)(=O)c2cccs2)cc1 ZINC000621211065 567565758 /nfs/dbraw/zinc/56/57/58/567565758.db2.gz RAHCDAOCIKSYFI-UHFFFAOYSA-N 0 2 376.503 3.102 10 0 GGAELN CCCn1nccc1NS(=O)(=O)c1c(OC)cccc1OC(F)(F)F ZINC000530134516 567572091 /nfs/dbraw/zinc/57/20/91/567572091.db2.gz OHYZLVVMHJJMPB-UHFFFAOYSA-N 0 2 379.360 3.001 10 0 GGAELN CC(=O)N1CCc2cc(S(=O)(=O)Nc3sc(C)nc3C)c(Cl)cc21 ZINC000530133996 567572270 /nfs/dbraw/zinc/57/22/70/567572270.db2.gz JGTNDWDKTZCVKR-UHFFFAOYSA-N 0 2 385.898 3.123 10 0 GGAELN CCc1ncsc1NS(=O)(=O)c1cc2c(cc1Cl)N(C(C)=O)CC2 ZINC000530135530 567573394 /nfs/dbraw/zinc/57/33/94/567573394.db2.gz VUVZOTNXHKXAAK-UHFFFAOYSA-N 0 2 385.898 3.069 10 0 GGAELN COc1cccc(OC(F)(F)F)c1S(=O)(=O)Nc1nnc(C2CC2)s1 ZINC000530154191 567576645 /nfs/dbraw/zinc/57/66/45/567576645.db2.gz QHGGFEFRCRIJSH-UHFFFAOYSA-N 0 2 395.384 3.124 10 0 GGAELN CCc1cnc(NS(=O)(=O)c2cc3c(cc2Cl)N(C(C)=O)CC3)s1 ZINC000530152248 567576795 /nfs/dbraw/zinc/57/67/95/567576795.db2.gz CGSUTWHTTGELKE-UHFFFAOYSA-N 0 2 385.898 3.069 10 0 GGAELN O=S(=O)(Nc1nnc([C@H]2CCCc3ccccc32)s1)c1cscn1 ZINC000571643111 567578043 /nfs/dbraw/zinc/57/80/43/567578043.db2.gz ZLSJZHWUCWDPJU-LBPRGKRZSA-N 0 2 378.504 3.264 10 0 GGAELN CCOC(=O)C[C@](C)(NC(=O)N=c1nc(-c2ccsc2)[nH]s1)C(C)C ZINC000480052235 567578651 /nfs/dbraw/zinc/57/86/51/567578651.db2.gz WERYZRFPMOHRQC-INIZCTEOSA-N 0 2 382.511 3.178 10 0 GGAELN C[C@H]1CC(C(=O)[O-])C[C@H](C)[NH+]1CCS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000530175434 567580166 /nfs/dbraw/zinc/58/01/66/567580166.db2.gz GYSIIBCAUOIPCX-QWRGUYRKSA-N 0 2 394.320 3.341 10 0 GGAELN Cc1ccsc1-c1nc(=NC(=O)NC[C@@H](CO)CC2CCCC2)s[nH]1 ZINC000439377543 567583395 /nfs/dbraw/zinc/58/33/95/567583395.db2.gz JSFJGTCSYMEQAS-ZDUSSCGKSA-N 0 2 380.539 3.307 10 0 GGAELN Cc1ccsc1-c1nc(=NC(=O)CCOCC(F)(F)C(F)F)s[nH]1 ZINC000505610611 567586936 /nfs/dbraw/zinc/58/69/36/567586936.db2.gz SHBDYFIYFMOJQW-UHFFFAOYSA-N 0 2 383.392 3.243 10 0 GGAELN Cc1c(Br)cccc1S(=O)(=O)Nc1c[nH]nc1-c1ccccn1 ZINC000552466432 567591441 /nfs/dbraw/zinc/59/14/41/567591441.db2.gz HRMCHZRDBHYORC-UHFFFAOYSA-N 0 2 393.266 3.343 10 0 GGAELN CC(C)c1[nH]n(-c2ccc(Cl)c(Cl)c2)c(=O)c1C(=O)Nc1nncs1 ZINC000530371548 567596525 /nfs/dbraw/zinc/59/65/25/567596525.db2.gz GYDQPZMHDNGMKI-NSHDSACASA-N 0 2 398.275 3.458 10 0 GGAELN CC(C)c1[nH]n(-c2ccc(Cl)c(Cl)c2)c(=O)c1C(=O)Nc1nncs1 ZINC000530371547 567596994 /nfs/dbraw/zinc/59/69/94/567596994.db2.gz GYDQPZMHDNGMKI-LLVKDONJSA-N 0 2 398.275 3.458 10 0 GGAELN CC(C)(C)n1cnc(=NC(=O)N[C@@H](CCO)c2ccc(Cl)c(Cl)c2)[nH]1 ZINC000480369292 567598333 /nfs/dbraw/zinc/59/83/33/567598333.db2.gz UGEMFJNFSYYGAC-ZDUSSCGKSA-N 0 2 386.283 3.007 10 0 GGAELN COC(=O)c1ccc(S(=O)(=O)Nc2ccc(O[C@@H]3CC3(F)F)cc2)s1 ZINC000596022245 567598961 /nfs/dbraw/zinc/59/89/61/567598961.db2.gz PYUDIZKZBQKWDH-GFCCVEGCSA-N 0 2 389.401 3.122 10 0 GGAELN COC(=O)c1sccc1S(=O)(=O)Nc1ccc(O[C@H]2CC2(F)F)cc1 ZINC000596020203 567599294 /nfs/dbraw/zinc/59/92/94/567599294.db2.gz FDQGZXSWCQFMGL-LBPRGKRZSA-N 0 2 389.401 3.122 10 0 GGAELN O=C(Nc1cccc(-c2n[nH]c(=O)[nH]2)c1)c1cc(Br)cc2[nH]cnc21 ZINC000552603785 567599814 /nfs/dbraw/zinc/59/98/14/567599814.db2.gz ASZOOJCHQURSGP-UHFFFAOYSA-N 0 2 399.208 3.068 10 0 GGAELN O=C(Nc1cccc(-c2n[nH]c(=O)[nH]2)c1)c1cc(Br)cc2nc[nH]c21 ZINC000552603785 567599821 /nfs/dbraw/zinc/59/98/21/567599821.db2.gz ASZOOJCHQURSGP-UHFFFAOYSA-N 0 2 399.208 3.068 10 0 GGAELN COc1cc(I)c(Cl)cc1CN=c1nc(C)[nH]s1 ZINC000481087202 567658541 /nfs/dbraw/zinc/65/85/41/567658541.db2.gz HGIGDGPQZBRZRZ-UHFFFAOYSA-N 0 2 395.653 3.147 10 0 GGAELN Cc1ccsc1-c1nc(=NC(=O)C[C@H](n2cccn2)C(F)(F)F)s[nH]1 ZINC000621956901 567626690 /nfs/dbraw/zinc/62/66/90/567626690.db2.gz AZQNFRAYICNXCP-VIFPVBQESA-N 0 2 387.412 3.326 10 0 GGAELN Cc1csc(-c2nnc(NS(=O)(=O)c3ccc4c(c3)CCCO4)o2)c1 ZINC000622043208 567633873 /nfs/dbraw/zinc/63/38/73/567633873.db2.gz VJBKKNKMTAOCFW-UHFFFAOYSA-N 0 2 377.447 3.232 10 0 GGAELN CCCn1nccc1NS(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC ZINC000506612959 567634505 /nfs/dbraw/zinc/63/45/05/567634505.db2.gz PNRIREFLRUWNGT-UHFFFAOYSA-N 0 2 392.264 3.187 10 0 GGAELN O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)N1CCC12CCC2 ZINC000531014712 567637402 /nfs/dbraw/zinc/63/74/02/567637402.db2.gz IVGQCISUERMFOM-UHFFFAOYSA-N 0 2 378.479 3.104 10 0 GGAELN COc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2OCC(F)(F)F)cn1 ZINC000506705633 567638727 /nfs/dbraw/zinc/63/87/27/567638727.db2.gz CASBLODZKLAKQG-UHFFFAOYSA-N 0 2 396.774 3.486 10 0 GGAELN Cc1cnn(C)c1S(=O)(=O)Nc1cc(Cl)ccc1OCC(F)(F)F ZINC000506706486 567640187 /nfs/dbraw/zinc/64/01/87/567640187.db2.gz GYHBFOCEXFLMME-UHFFFAOYSA-N 0 2 383.779 3.124 10 0 GGAELN O=C(N=c1ccc(C2CC2)n[nH]1)c1cc(Br)cc(N2CCCC2)c1 ZINC000622804209 567657765 /nfs/dbraw/zinc/65/77/65/567657765.db2.gz CMIIXWVSLHNGRM-UHFFFAOYSA-N 0 2 387.281 3.391 10 0 GGAELN C[S@](=O)[C@H]1CCC[C@@H](NC(=O)N=c2ccc(-c3ccc(Cl)s3)n[nH]2)C1 ZINC000597013343 567670950 /nfs/dbraw/zinc/67/09/50/567670950.db2.gz DQWZGYGKIQEOOX-JJPWZELDSA-N 0 2 398.941 3.092 10 0 GGAELN C[S@](=O)[C@@H]1CCC[C@H](NC(=O)N=c2ccc(-c3ccc(Cl)s3)n[nH]2)C1 ZINC000597013344 567671241 /nfs/dbraw/zinc/67/12/41/567671241.db2.gz DQWZGYGKIQEOOX-OZGSTZEOSA-N 0 2 398.941 3.092 10 0 GGAELN CC[C@@H]1CN(C(=O)N=c2ccc(-c3ccc(Cl)s3)n[nH]2)C[C@H](C)[S@@]1=O ZINC000597018150 567672015 /nfs/dbraw/zinc/67/20/15/567672015.db2.gz DGECFHGKEJXICH-OZGSTZEOSA-N 0 2 398.941 3.044 10 0 GGAELN COc1ccc(OC)c(CNC(=O)N=c2nc(-c3ccsc3)[nH]s2)c1 ZINC000460126439 567673783 /nfs/dbraw/zinc/67/37/83/567673783.db2.gz WUJVKGVIYLHSHV-UHFFFAOYSA-N 0 2 376.463 3.027 10 0 GGAELN O=C(N=c1nc(-c2ccsc2)[nH]s1)NCCOc1ccc(F)c(F)c1 ZINC000460118172 567673935 /nfs/dbraw/zinc/67/39/35/567673935.db2.gz WEVMVIGURHQRST-UHFFFAOYSA-N 0 2 382.417 3.167 10 0 GGAELN O=C(N=c1nc(-c2ccsc2)[nH]s1)N1CCN(c2cccs2)CC1 ZINC000460108805 567674342 /nfs/dbraw/zinc/67/43/42/567674342.db2.gz BKTBTLKGJNQJJY-UHFFFAOYSA-N 0 2 377.520 3.104 10 0 GGAELN C[C@@H](CNC(=O)N=c1nc(-c2ccsc2)[nH]s1)Oc1ccccc1F ZINC000460136463 567675089 /nfs/dbraw/zinc/67/50/89/567675089.db2.gz VELLICMRAQHUAH-JTQLQIEISA-N 0 2 378.454 3.417 10 0 GGAELN C[C@H](CNC(=O)N=c1nc(-c2ccsc2)[nH]s1)Oc1ccccc1F ZINC000460136464 567675532 /nfs/dbraw/zinc/67/55/32/567675532.db2.gz VELLICMRAQHUAH-SNVBAGLBSA-N 0 2 378.454 3.417 10 0 GGAELN Cc1ccsc1-c1nc(=NC(=O)NCc2nccc(C(F)F)n2)s[nH]1 ZINC000481410019 567676576 /nfs/dbraw/zinc/67/65/76/567676576.db2.gz PWPIWYGEQPKVJM-UHFFFAOYSA-N 0 2 382.421 3.046 10 0 GGAELN COC(=O)c1ccc(S(=O)(=O)Nc2cccc3ccncc32)c(Cl)c1 ZINC000531781468 567678916 /nfs/dbraw/zinc/67/89/16/567678916.db2.gz MTNKYXJISVOYIS-UHFFFAOYSA-N 0 2 376.821 3.476 10 0 GGAELN CO[C@H](C)c1nsc(NCCC(=O)Nc2cc(Cl)cc(Cl)c2)n1 ZINC000572978609 567679871 /nfs/dbraw/zinc/67/98/71/567679871.db2.gz QYLRFSSPAJHFJQ-MRVPVSSYSA-N 0 2 375.281 3.415 10 0 GGAELN Cc1cnc(N)c(S(=O)(=O)Nc2cccc3cc(Br)cnc32)c1 ZINC000507612725 567691031 /nfs/dbraw/zinc/69/10/31/567691031.db2.gz HTQSBJDJHQVOTJ-UHFFFAOYSA-N 0 2 393.266 3.084 10 0 GGAELN COc1cc(NS(=O)(=O)c2cc(Br)cc3cccnc32)ccn1 ZINC000460612539 567694837 /nfs/dbraw/zinc/69/48/37/567694837.db2.gz DDRWKQUGAROWMC-UHFFFAOYSA-N 0 2 394.250 3.202 10 0 GGAELN C[C@@H]1CCCc2nc(S(=O)(=O)Nc3nc(CC(F)(F)F)cs3)cn21 ZINC000573307237 567703420 /nfs/dbraw/zinc/70/34/20/567703420.db2.gz URSOZQHROPIUBS-MRVPVSSYSA-N 0 2 380.417 3.143 10 0 GGAELN O=C(c1cccc(NS(=O)(=O)c2cccs2)c1)N1CC[C@H]1C(F)(F)F ZINC000646289322 567704080 /nfs/dbraw/zinc/70/40/80/567704080.db2.gz UKMVHDVBYZJWCJ-LBPRGKRZSA-N 0 2 390.408 3.326 10 0 GGAELN O=S(=O)(Nc1cc(Br)ccc1O)c1cnccc1C(F)(F)F ZINC000442828881 567711420 /nfs/dbraw/zinc/71/14/20/567711420.db2.gz NZGRUSJLKRYCSV-UHFFFAOYSA-N 0 2 397.172 3.369 10 0 GGAELN C[N@@H+]1CC[C@H]([NH2+]Cc2cc(C(F)(F)F)cc(S(C)(=O)=O)c2)CC1(C)C ZINC000623516721 567717189 /nfs/dbraw/zinc/71/71/89/567717189.db2.gz BYSOKXXUZHXMHS-AWEZNQCLSA-N 0 2 378.460 3.071 10 0 GGAELN CCc1ncc(S(=O)(=O)N[C@@]2(C(F)(F)F)CCc3ccccc32)s1 ZINC000461110157 567721381 /nfs/dbraw/zinc/72/13/81/567721381.db2.gz GHMJNEHSMQTEDG-AWEZNQCLSA-N 0 2 376.425 3.388 10 0 GGAELN COC(=O)c1c(C)csc1NS(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000508086010 567728075 /nfs/dbraw/zinc/72/80/75/567728075.db2.gz RCBGPQPGPZNZAV-UHFFFAOYSA-N 0 2 380.369 3.058 10 0 GGAELN O=S(=O)(Nc1ncc(-c2cccnc2)s1)c1cncc(Br)c1 ZINC000508100475 567728940 /nfs/dbraw/zinc/72/89/40/567728940.db2.gz XDMMKNKOWTZSDK-UHFFFAOYSA-N 0 2 397.279 3.163 10 0 GGAELN COC(=O)Cc1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)s2)cc1 ZINC000461337183 567729955 /nfs/dbraw/zinc/72/99/55/567729955.db2.gz GQDUVTGYBAOOOJ-UHFFFAOYSA-N 0 2 379.381 3.283 10 0 GGAELN COC(=O)c1scc(C)c1S(=O)(=O)Nc1ncc(-c2cccnc2)s1 ZINC000508105852 567730522 /nfs/dbraw/zinc/73/05/22/567730522.db2.gz ZBGIGBCQKMKQBJ-UHFFFAOYSA-N 0 2 395.487 3.162 10 0 GGAELN COC(=O)c1cc(S(=O)(=O)Nc2cc(Cl)ccc2C(F)(F)F)cn1C ZINC000508111074 567730842 /nfs/dbraw/zinc/73/08/42/567730842.db2.gz HWFUEFZLOKBOIW-UHFFFAOYSA-N 0 2 396.774 3.285 10 0 GGAELN Cc1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)s2)cc1S(C)(=O)=O ZINC000461343274 567731011 /nfs/dbraw/zinc/73/10/11/567731011.db2.gz KIJUJEYMGMREOI-UHFFFAOYSA-N 0 2 399.437 3.280 10 0 GGAELN Cc1cc(NS(=O)(=O)c2ccc(C(F)(F)F)s2)ccc1OCCO ZINC000461342665 567731047 /nfs/dbraw/zinc/73/10/47/567731047.db2.gz JMIRACQRWPVSHR-UHFFFAOYSA-N 0 2 381.397 3.247 10 0 GGAELN COC(=O)c1ncc(NS(=O)(=O)c2cc(C)c(F)cc2Cl)cc1Cl ZINC000508142150 567732607 /nfs/dbraw/zinc/73/26/07/567732607.db2.gz JRJFIKZYYKQPEC-UHFFFAOYSA-N 0 2 393.223 3.423 10 0 GGAELN Cn1nc(CC(C)(C)C)cc1NS(=O)(=O)c1cnccc1C(F)(F)F ZINC000443151257 567736755 /nfs/dbraw/zinc/73/67/55/567736755.db2.gz GCBQOHZPBVSHAH-UHFFFAOYSA-N 0 2 376.404 3.223 10 0 GGAELN Cc1n[nH]c(C)c1NS(=O)(=O)c1cc(Br)cc2cccnc21 ZINC000573878953 567741408 /nfs/dbraw/zinc/74/14/08/567741408.db2.gz HPRWFPTUSFTJBA-UHFFFAOYSA-N 0 2 381.255 3.138 10 0 GGAELN Cn1ncc(Cl)c1S(=O)(=O)Nc1ccc(Cl)cc1OCC(F)F ZINC000554689312 567741989 /nfs/dbraw/zinc/74/19/89/567741989.db2.gz ITXJMRNTUUUHGA-UHFFFAOYSA-N 0 2 386.207 3.172 10 0 GGAELN O=S(=O)(Nc1cc(Br)ccc1O)c1cccnc1C(F)(F)F ZINC000554686414 567742115 /nfs/dbraw/zinc/74/21/15/567742115.db2.gz IXYCIDNGODZUME-UHFFFAOYSA-N 0 2 397.172 3.369 10 0 GGAELN Cc1ccsc1-c1nc(=NC(=O)NC[C@H]2CCOC3(CCC3)C2)s[nH]1 ZINC000573918884 567745144 /nfs/dbraw/zinc/74/51/44/567745144.db2.gz MKLZRNAVAZCHCN-LBPRGKRZSA-N 0 2 378.523 3.468 10 0 GGAELN Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc2c(Br)cn(C)c2c1 ZINC000647123039 567760683 /nfs/dbraw/zinc/76/06/83/567760683.db2.gz OWMMDUQGZYWTCI-UHFFFAOYSA-N 0 2 397.298 3.092 10 0 GGAELN CO[C@H](CS(=O)(=O)Nc1cccc(Cl)c1OC(C)C)C1CCOCC1 ZINC000647127625 567760845 /nfs/dbraw/zinc/76/08/45/567760845.db2.gz XVPFXTYJUYKEID-MRXNPFEDSA-N 0 2 391.917 3.311 10 0 GGAELN CCCOc1ccc(Cl)cc1NS(=O)(=O)C[C@H](OC)C1CCOCC1 ZINC000647125065 567761310 /nfs/dbraw/zinc/76/13/10/567761310.db2.gz TZDLTFPEJUFNBY-KRWDZBQOSA-N 0 2 391.917 3.312 10 0 GGAELN COc1cc(Cl)c(Cl)cc1NS(=O)(=O)C[C@H](OC)C1CCOCC1 ZINC000647131354 567763317 /nfs/dbraw/zinc/76/33/17/567763317.db2.gz PJLKGCORFBPRSM-HNNXBMFYSA-N 0 2 398.308 3.185 10 0 GGAELN COc1cc(OC)c(S(=O)(=O)Nc2ccc(F)cc2SC)c(OC)c1 ZINC000647137753 567764772 /nfs/dbraw/zinc/76/47/72/567764772.db2.gz PLDSUCLNGFVBRK-UHFFFAOYSA-N 0 2 387.454 3.374 10 0 GGAELN COCCOCc1ccc(C(=O)N=c2nc(-c3ccsc3)[nH]s2)cc1 ZINC000462066412 567764904 /nfs/dbraw/zinc/76/49/04/567764904.db2.gz GXYVHMSMXWJQIE-UHFFFAOYSA-N 0 2 375.475 3.104 10 0 GGAELN CC1(C)Cc2nc(NS(=O)(=O)CCCC3CCOCC3)sc2C(=O)C1 ZINC000647264580 567775250 /nfs/dbraw/zinc/77/52/50/567775250.db2.gz IFQBURYQXFAVCW-UHFFFAOYSA-N 0 2 386.539 3.247 10 0 GGAELN CCCc1nnc(NS(=O)(=O)c2ccc3c(Br)cn(C)c3c2)o1 ZINC000647273759 567776572 /nfs/dbraw/zinc/77/65/72/567776572.db2.gz ILXNLSPHVICIQD-UHFFFAOYSA-N 0 2 399.270 3.077 10 0 GGAELN COC1(c2nc(-c3c[nH]c4c(C)cc(Br)cc4c3=O)no2)CC1 ZINC000647396435 567782896 /nfs/dbraw/zinc/78/28/96/567782896.db2.gz DGUWDFFOCGFRTP-UHFFFAOYSA-N 0 2 376.210 3.285 10 0 GGAELN O=C(N=c1nc(-c2ccsc2)[nH]s1)c1cn(-c2cccc(Cl)c2)nn1 ZINC000444005616 567784819 /nfs/dbraw/zinc/78/48/19/567784819.db2.gz RMJVPDZOHMQCQJ-UHFFFAOYSA-N 0 2 388.865 3.175 10 0 GGAELN Cc1ccsc1-c1nc(=NC(=O)C2(C(=O)OC(C)(C)C)CCC2)s[nH]1 ZINC000598832993 567793343 /nfs/dbraw/zinc/79/33/43/567793343.db2.gz SSFMRXNXDSRCMM-UHFFFAOYSA-N 0 2 379.507 3.447 10 0 GGAELN CCOC(=O)C(C)(C)c1csc(NS(=O)(=O)c2cc(C)sc2C)n1 ZINC000574721500 567793504 /nfs/dbraw/zinc/79/35/04/567793504.db2.gz DZDIZNUOKTXXSL-UHFFFAOYSA-N 0 2 388.536 3.463 10 0 GGAELN C[C@@H]1CN(Cc2cc(Br)c(O)c(Br)c2)C[C@H](C)[C@H]1O ZINC000668554304 567813635 /nfs/dbraw/zinc/81/36/35/567813635.db2.gz NGXIXICJRKMOKR-WOFXILAISA-N 0 2 393.119 3.366 10 0 GGAELN COC(=O)[C@@H]1CCC[C@@H](C(=O)N=c2ccc(-c3ccc(Cl)s3)n[nH]2)C1 ZINC000598867371 567795925 /nfs/dbraw/zinc/79/59/25/567795925.db2.gz COJHGRRDUCCBEC-GHMZBOCLSA-N 0 2 379.869 3.198 10 0 GGAELN COC(=O)[C@H]1CCC[C@@H](C(=O)N=c2ccc(-c3ccc(Cl)s3)n[nH]2)C1 ZINC000598867372 567796078 /nfs/dbraw/zinc/79/60/78/567796078.db2.gz COJHGRRDUCCBEC-MNOVXSKESA-N 0 2 379.869 3.198 10 0 GGAELN Cc1ccc(-c2nsc(NS(=O)(=O)c3cn4c(n3)CCC[C@@H]4C)n2)s1 ZINC000668149734 567797988 /nfs/dbraw/zinc/79/79/88/567797988.db2.gz NBDWUHPJQYTCIN-VIFPVBQESA-N 0 2 395.535 3.470 10 0 GGAELN Cc1n[nH]cc1-c1nnc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)s1 ZINC000444215483 567798486 /nfs/dbraw/zinc/79/84/86/567798486.db2.gz QXCPOVWGWWFYIB-UHFFFAOYSA-N 0 2 390.277 3.344 10 0 GGAELN O=C(Nc1cccc(Cn2[nH]c(=O)ccc2=O)c1)c1cc2ccccc2s1 ZINC000048367102 570246717 /nfs/dbraw/zinc/24/67/17/570246717.db2.gz KBKYWJXVOYZLBG-UHFFFAOYSA-N 0 2 377.425 3.464 10 0 GGAELN CC[C@@H](C)NC(=O)CCc1nnc(-c2ccc(OCC3CCC3)cc2)[nH]c1=O ZINC000034764008 570333097 /nfs/dbraw/zinc/33/30/97/570333097.db2.gz KVMUKSNZICUPKL-CQSZACIVSA-N 0 2 384.480 3.270 10 0 GGAELN CN(Cc1ccccc1)C(=O)CCc1nnc(-c2cccc(Cl)c2)[nH]c1=O ZINC000034767938 570333558 /nfs/dbraw/zinc/33/35/58/570333558.db2.gz PQEQSOUHSRFQTC-UHFFFAOYSA-N 0 2 382.851 3.489 10 0 GGAELN O=C(CCc1nnc(-c2cccc(Cl)c2)[nH]c1=O)NCCc1ccccc1 ZINC000034767902 570333587 /nfs/dbraw/zinc/33/35/87/570333587.db2.gz MCBLWNVIHJLGMZ-UHFFFAOYSA-N 0 2 382.851 3.189 10 0 GGAELN CC(C)COc1cccc(-c2nnc(CCC(=O)N3CCCCC3)c(=O)[nH]2)c1 ZINC000034765542 570333650 /nfs/dbraw/zinc/33/36/50/570333650.db2.gz YSJBUDYZFXJDAD-UHFFFAOYSA-N 0 2 384.480 3.224 10 0 GGAELN Cc1cccc(-c2nnc(CCC(=O)NCCCc3ccccc3)c(=O)[nH]2)c1 ZINC000034768743 570334153 /nfs/dbraw/zinc/33/41/53/570334153.db2.gz BMICIHPDVAPZGS-UHFFFAOYSA-N 0 2 376.460 3.234 10 0 GGAELN O=C(C[C@H]1SC(N2CCCC2)=NC1=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000028757074 570463697 /nfs/dbraw/zinc/46/36/97/570463697.db2.gz FCDBRGGRESKJQV-GFCCVEGCSA-N 0 2 387.383 3.008 10 0 GGAELN O=C(CC1SC(N2CCCC2)=NC1=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000028757074 570463698 /nfs/dbraw/zinc/46/36/98/570463698.db2.gz FCDBRGGRESKJQV-GFCCVEGCSA-N 0 2 387.383 3.008 10 0 GGAELN CCOc1ccc(-c2nnc(CCC(=O)N[C@@H](C)c3ccccc3)c(=O)[nH]2)cc1 ZINC000034762879 570543921 /nfs/dbraw/zinc/54/39/21/570543921.db2.gz CTMVUOKHTHZLAR-HNNXBMFYSA-N 0 2 392.459 3.453 10 0 GGAELN CCOc1ccccc1NS(=O)(=O)c1ccc(CC(=O)N2CCCC2)s1 ZINC000064919673 570590999 /nfs/dbraw/zinc/59/09/99/570590999.db2.gz AEUQXEVGPVOZOY-UHFFFAOYSA-N 0 2 394.518 3.113 10 0 GGAELN CCn1nccc1-c1csc(S(=O)(=O)Nc2ccc(OC)c(OC)c2)c1 ZINC000065112394 570701772 /nfs/dbraw/zinc/70/17/72/570701772.db2.gz JJHYBQLJJYKQNR-UHFFFAOYSA-N 0 2 393.490 3.450 10 0 GGAELN CCc1cccc(C)c1NS(=O)(=O)c1cc(-c2ccc(=O)n(C)n2)cs1 ZINC000065128925 570704521 /nfs/dbraw/zinc/70/45/21/570704521.db2.gz OBHASTBQZJSMFQ-UHFFFAOYSA-N 0 2 389.502 3.180 10 0 GGAELN CCn1nc(-c2csc(S(=O)(=O)Nc3ccc(F)c(C)c3)c2)ccc1=O ZINC000065129116 570705052 /nfs/dbraw/zinc/70/50/52/570705052.db2.gz TVMSPNYPVZWGDK-UHFFFAOYSA-N 0 2 393.465 3.240 10 0 GGAELN Cc1cccc(NS(=O)(=O)c2cc3c(s2)CCN(C(=O)C2CC2)C3)c1C ZINC000065196215 570728225 /nfs/dbraw/zinc/72/82/25/570728225.db2.gz XBBNNWZTGDVECO-UHFFFAOYSA-N 0 2 390.530 3.460 10 0 GGAELN Cc1ccc(C)c(NS(=O)(=O)c2cc3c(s2)CCN(C(=O)C2CC2)C3)c1 ZINC000065196226 570728412 /nfs/dbraw/zinc/72/84/12/570728412.db2.gz IUAJGAVATMGJBW-UHFFFAOYSA-N 0 2 390.530 3.460 10 0 GGAELN COc1ccc(-c2nnc(SCC(=O)N[C@@H]3CCCC[C@H]3C)[nH]c2=O)cc1 ZINC000032778632 570811681 /nfs/dbraw/zinc/81/16/81/570811681.db2.gz UVOSGCORVLOCON-IUODEOHRSA-N 0 2 388.493 3.040 10 0 GGAELN Cn1c(=O)[nH]c(O)c(C2=Nc3ccccc3S[C@H](c3ccccc3)C2)c1=O ZINC000101767174 570831254 /nfs/dbraw/zinc/83/12/54/570831254.db2.gz XUEYDTLBRVJHMW-INIZCTEOSA-N 0 2 379.441 3.137 10 0 GGAELN Cn1c(O)c(C2=Nc3ccccc3S[C@H](c3ccccc3)C2)c(=O)[nH]c1=O ZINC000101767174 570831255 /nfs/dbraw/zinc/83/12/55/570831255.db2.gz XUEYDTLBRVJHMW-INIZCTEOSA-N 0 2 379.441 3.137 10 0 GGAELN Cn1c(=O)[nH]c(O)c(C2=Nc3ccccc3S[C@@H](c3ccc(F)cc3)C2)c1=O ZINC000101767303 570831372 /nfs/dbraw/zinc/83/13/72/570831372.db2.gz NRZICLSHVLRYPZ-MRXNPFEDSA-N 0 2 397.431 3.276 10 0 GGAELN Cn1c(O)c(C2=Nc3ccccc3S[C@@H](c3ccc(F)cc3)C2)c(=O)[nH]c1=O ZINC000101767303 570831373 /nfs/dbraw/zinc/83/13/73/570831373.db2.gz NRZICLSHVLRYPZ-MRXNPFEDSA-N 0 2 397.431 3.276 10 0 GGAELN CCCCn1c(=O)c(C2=NN[C@@H](c3ccc(OCC)cc3)C2)c(O)[nH]c1=S ZINC000101763471 570833441 /nfs/dbraw/zinc/83/34/41/570833441.db2.gz VZAUKJJCDQHQJW-CQSZACIVSA-N 0 2 388.493 3.249 10 0 GGAELN CCCCn1c(O)c(C2=NN[C@@H](c3ccc(OCC)cc3)C2)c(=O)[nH]c1=S ZINC000101763471 570833442 /nfs/dbraw/zinc/83/34/42/570833442.db2.gz VZAUKJJCDQHQJW-CQSZACIVSA-N 0 2 388.493 3.249 10 0 GGAELN COc1ccccc1NCc1nn2c(nc(C)c(Cc3ccc(C)cc3)c2=O)[nH]1 ZINC000101802915 570835209 /nfs/dbraw/zinc/83/52/09/570835209.db2.gz MHPJUPMCUUHVSG-UHFFFAOYSA-N 0 2 389.459 3.246 10 0 GGAELN CCOc1ccccc1NCc1nn2c(nc(C)c(Cc3ccccc3)c2=O)[nH]1 ZINC000101802851 570835232 /nfs/dbraw/zinc/83/52/32/570835232.db2.gz CBYVLTRXBSTLFT-UHFFFAOYSA-N 0 2 389.459 3.328 10 0 GGAELN COC(=O)c1ccc(S(=O)(=O)Nc2c(C)nn(-c3ccc(C)cc3)c2C)cc1 ZINC000012536202 570836210 /nfs/dbraw/zinc/83/62/10/570836210.db2.gz YUPHSOXYGMHYNO-UHFFFAOYSA-N 0 2 399.472 3.385 10 0 GGAELN CCn1c2ccccc2[nH+]c1CCc1cccc([N-]S(=O)(=O)c2c[nH]cn2)c1 ZINC000033275371 570950313 /nfs/dbraw/zinc/95/03/13/570950313.db2.gz ARLJTWLAGJJDOY-UHFFFAOYSA-N 0 2 395.488 3.365 10 0 GGAELN CC(=O)c1cccc(NS(=O)(=O)c2cc(C(=O)N3CCCCC3)cs2)c1 ZINC000045961631 571006371 /nfs/dbraw/zinc/00/63/71/571006371.db2.gz LXTIPVCAYXVRLI-UHFFFAOYSA-N 0 2 392.502 3.378 10 0 GGAELN O=C(CCCn1c(=O)c2sccc2[nH]c1=S)Nc1ccc2c(c1)OCO2 ZINC000002932320 1398321752 /nfs/dbraw/zinc/32/17/52/1398321752.db2.gz NKBXWTZUMKLDDR-UHFFFAOYSA-N 0 2 389.458 3.268 10 0 GGAELN O=c1c2ccccc2[nH]c(=S)n1CCn1c(=O)c2ccccc2[nH]c1=S ZINC000002971317 1398323659 /nfs/dbraw/zinc/32/36/59/1398323659.db2.gz VCUXHPXVKTWLQJ-UHFFFAOYSA-N 0 2 382.470 3.132 10 0 GGAELN COCCn1c(=O)c2ccc(C(=O)N[C@@H]3CCCC[C@@H]3C)cc2[nH]c1=S ZINC000003043552 1398325732 /nfs/dbraw/zinc/32/57/32/1398325732.db2.gz FTTACITXMGIRKE-SWLSCSKDSA-N 0 2 375.494 3.014 10 0 GGAELN Cc1nn(C)c(Cl)c1S(=O)(=O)Nc1ccc(Oc2ccccc2)nc1 ZINC000057119090 1407523281 /nfs/dbraw/zinc/52/32/81/1407523281.db2.gz AVFUFMZIRAHPKX-UHFFFAOYSA-N 0 2 378.841 3.370 10 0 GGAELN COC(=O)C1(c2ccccc2)CCN(C(=O)c2c(O)cc(F)cc2F)CC1 ZINC000066043407 1408777876 /nfs/dbraw/zinc/77/78/76/1408777876.db2.gz QQNCDBZRSFGDNU-UHFFFAOYSA-N 0 2 375.371 3.017 10 0 GGAELN COCCN(Cc1ccco1)C(=O)C1=NN(c2ccc(Cl)cc2)CC1=O ZINC000177038027 1428563811 /nfs/dbraw/zinc/56/38/11/1428563811.db2.gz FNUPGJAUSBGWTR-UHFFFAOYSA-N 0 2 375.812 3.113 10 0 GGAELN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000115983806 1412819650 /nfs/dbraw/zinc/81/96/50/1412819650.db2.gz HNMXTSOZQAJOGG-NXEZZACHSA-N 0 2 375.400 3.025 10 0 GGAELN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000115983804 1412819815 /nfs/dbraw/zinc/81/98/15/1412819815.db2.gz HNMXTSOZQAJOGG-UWVGGRQHSA-N 0 2 375.400 3.025 10 0 GGAELN CC(C)[NH+]1CCN(c2ccc(C(=O)N3CC[C@@H](C)[C@H](n4cc[nH+]c4)C3)cc2)CC1 ZINC000123407732 1414720666 /nfs/dbraw/zinc/72/06/66/1414720666.db2.gz CTDPOZHFPCWLHQ-DENIHFKCSA-N 0 2 395.551 3.137 10 0 GGAELN CC(C)[NH+]1CCN(c2ccc(C(=O)N3CC[C@H](C)[C@H](n4cc[nH+]c4)C3)cc2)CC1 ZINC000123407978 1414720729 /nfs/dbraw/zinc/72/07/29/1414720729.db2.gz CTDPOZHFPCWLHQ-SIKLNZKXSA-N 0 2 395.551 3.137 10 0 GGAELN CN1C(=O)Cc2cc(S(=O)(=O)Nc3ncccc3-c3ccccc3)ccc21 ZINC000180121902 1429745694 /nfs/dbraw/zinc/74/56/94/1429745694.db2.gz CPMBTPIQIMRCLH-UHFFFAOYSA-N 0 2 379.441 3.068 10 0 GGAELN O=S(=O)(Nc1nc2c(s1)CCC2)c1ccc(Br)c(F)c1 ZINC000231616239 1433373180 /nfs/dbraw/zinc/37/31/80/1433373180.db2.gz JGOBEPFJPOZJDZ-UHFFFAOYSA-N 0 2 377.260 3.334 10 0 GGAELN COc1cc(Br)cc(NS(=O)(=O)c2cccnc2Cl)c1 ZINC000169043484 1425242675 /nfs/dbraw/zinc/24/26/75/1425242675.db2.gz WTPKDMRTLQRFRB-UHFFFAOYSA-N 0 2 377.647 3.307 10 0 GGAELN CCN1C(=O)CCc2cc(NS(=O)(=O)c3cc(F)c(C)cc3F)ccc21 ZINC000184022125 1430830454 /nfs/dbraw/zinc/83/04/54/1430830454.db2.gz VKVBJSXSBPOHFK-UHFFFAOYSA-N 0 2 380.416 3.373 10 0 GGAELN COc1cc(S(=O)(=O)Nc2cc(-c3ccccc3C)nn2C)ccc1F ZINC000190991246 1432544940 /nfs/dbraw/zinc/54/49/40/1432544940.db2.gz BFTXALABPNVPST-UHFFFAOYSA-N 0 2 375.425 3.344 10 0 GGAELN COC(=O)c1ccc(CN(C)C(=O)C2=NN(c3ccc(Cl)cc3)CC2=O)cc1 ZINC000193788306 1433059495 /nfs/dbraw/zinc/05/94/95/1433059495.db2.gz FLAJCZUCSBYGKX-UHFFFAOYSA-N 0 2 399.834 3.290 10 0 GGAELN Cc1ccc(S(=O)(=O)Nc2ccccc2N2C[C@@H](C)O[C@@H](C)C2)c(Cl)n1 ZINC000193814230 1433065383 /nfs/dbraw/zinc/06/53/83/1433065383.db2.gz GSCRNRIWGFRUEZ-OKILXGFUSA-N 0 2 395.912 3.458 10 0 GGAELN CC(C)C[C@]1(CO)CCCN1C(=O)C1=NN(c2ccc(Cl)cc2)CC1=O ZINC000194590197 1433202415 /nfs/dbraw/zinc/20/24/15/1433202415.db2.gz BCEPHQHXOAVRNZ-IBGZPJMESA-N 0 2 377.872 3.245 10 0 GGAELN Cc1cc(F)c(Br)cc1NS(=O)(=O)c1cnc(Cl)nc1 ZINC000232099911 1433373221 /nfs/dbraw/zinc/37/32/21/1433373221.db2.gz RCZUZDFDPSDVIW-UHFFFAOYSA-N 0 2 380.626 3.141 10 0 GGAELN O=S(=O)(Nc1ccc(Br)c(Cl)c1)c1cnc(Cl)nc1 ZINC000232194941 1433373227 /nfs/dbraw/zinc/37/32/27/1433373227.db2.gz JGMMXBZPCCYCER-UHFFFAOYSA-N 0 2 383.054 3.347 10 0 GGAELN Cc1ccc(NC(=O)c2cccc(Nc3nn[nH]n3)c2)c(OC[C@H]2CCCO2)c1 ZINC001136393749 1441752390 /nfs/dbraw/zinc/75/23/90/1441752390.db2.gz YAXQWPHUEPVFEN-MRXNPFEDSA-N 0 2 394.435 3.062 10 0 GGAELN O=C(c1cccc(Nc2nn[nH]n2)c1)N(Cc1ccccc1)CC1CCOCC1 ZINC000900656974 1442290593 /nfs/dbraw/zinc/29/05/93/1442290593.db2.gz QENBQHQXQWPORJ-UHFFFAOYSA-N 0 2 392.463 3.012 10 0 GGAELN C[C@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)c1cccc(Nc2nn[nH]n2)c1 ZINC000907589184 1443101296 /nfs/dbraw/zinc/10/12/96/1443101296.db2.gz SKOFFDMRVDOMBI-YVEFUNNKSA-N 0 2 398.854 3.199 10 0 GGAELN CCOc1ccc(CN(C(=O)c2cccc(Nc3nn[nH]n3)c2)C(C)C)cc1 ZINC001142646060 1443211302 /nfs/dbraw/zinc/21/13/02/1443211302.db2.gz VCZJKYLWRYIOJD-UHFFFAOYSA-N 0 2 380.452 3.393 10 0 GGAELN COc1ccc2c(c1)CCC[C@@]2([NH2+]Cc1cnc([C@H]2CCCO2)s1)C(=O)[O-] ZINC000580419808 1126098405 /nfs/dbraw/zinc/09/84/05/1126098405.db2.gz DGUAMMNBPIVZGQ-XLIONFOSSA-N 0 2 388.489 3.409 10 0 GGAELN COCCn1c(=O)c2ccc(C(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)cc2[nH]c1=S ZINC000004657992 220742104 /nfs/dbraw/zinc/74/21/04/220742104.db2.gz IXEZOTMWUCMYNV-XJKCOSOUSA-N 0 2 389.521 3.260 10 0 GGAELN CC1CCC2(CC1)NC(=O)N(NC(=O)c1ccc(COc3ccccc3)o1)C2=O ZINC000008132164 221027950 /nfs/dbraw/zinc/02/79/50/221027950.db2.gz XDSCRIMSWMAXTN-UHFFFAOYSA-N 0 2 397.431 3.004 10 0 GGAELN COC(=O)c1c(SCC(=O)Nc2cccc(OC)c2)[nH]c2ccccc2c1=O ZINC000009300262 221076999 /nfs/dbraw/zinc/07/69/99/221076999.db2.gz VAFXKAODAVLMCG-UHFFFAOYSA-N 0 2 398.440 3.054 10 0 GGAELN COc1ccc(NS(=O)(=O)c2ccc(-c3cc(C)[nH]n3)s2)cc1OC ZINC000009686386 221089679 /nfs/dbraw/zinc/08/96/79/221089679.db2.gz SASDQNOUOXFHGU-UHFFFAOYSA-N 0 2 379.463 3.265 10 0 GGAELN COc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2cccs2)cn1 ZINC000012520895 221201187 /nfs/dbraw/zinc/20/11/87/221201187.db2.gz RHGDCBFWRLOEKP-UHFFFAOYSA-N 0 2 389.458 3.205 10 0 GGAELN COC(=O)c1cccc(S(=O)(=O)Nc2c(C)nn(-c3ccc(C)cc3)c2C)c1 ZINC000012536032 221203867 /nfs/dbraw/zinc/20/38/67/221203867.db2.gz QRHWNRBTTQVPDK-UHFFFAOYSA-N 0 2 399.472 3.385 10 0 GGAELN CS(=O)(=O)Nc1nc2ccc(NC(=O)Nc3ccccc3F)cc2s1 ZINC000013348812 221265891 /nfs/dbraw/zinc/26/58/91/221265891.db2.gz GEYQJROMTCAEAD-UHFFFAOYSA-N 0 2 380.426 3.451 10 0 GGAELN CNC(=O)Nc1ccc2sc(NS(=O)(=O)c3ccc(C)cc3)nc2c1 ZINC000013347639 221266073 /nfs/dbraw/zinc/26/60/73/221266073.db2.gz OQIAGIPMHNRRQP-UHFFFAOYSA-N 0 2 376.463 3.157 10 0 GGAELN C[C@@H]1CC(=O)Nc2cc(S(=O)(=O)Nc3ccc(Cl)cn3)ccc2S1 ZINC000015730291 221342775 /nfs/dbraw/zinc/34/27/75/221342775.db2.gz VNCJTPZVAOKOFH-SECBINFHSA-N 0 2 383.882 3.359 10 0 GGAELN C[C@H](Oc1ccccc1)C(=O)Nc1ccc2nc(NS(C)(=O)=O)sc2c1 ZINC000015862006 221349603 /nfs/dbraw/zinc/34/96/03/221349603.db2.gz WVLMJDJQBGNJOJ-NSHDSACASA-N 0 2 391.474 3.074 10 0 GGAELN CC(C)c1ccc(NS(=O)(=O)c2ccc(-c3ccc(=O)[nH]n3)s2)cc1 ZINC000020574746 221500569 /nfs/dbraw/zinc/50/05/69/221500569.db2.gz ISTMDSUNNBYGKY-UHFFFAOYSA-N 0 2 375.475 3.423 10 0 GGAELN O=c1n(CCSCCOc2ccc(Br)cc2)nc2ccccn21 ZINC000028907379 221686156 /nfs/dbraw/zinc/68/61/56/221686156.db2.gz PPVFDQUFIJKIGB-UHFFFAOYSA-N 0 2 394.294 3.071 10 0 GGAELN CCc1nnc(-c2csc(S(=O)(=O)Nc3cc(OC)cc(OC)c3)c2)o1 ZINC000065098622 222100538 /nfs/dbraw/zinc/10/05/38/222100538.db2.gz WAROHPJGRHGHST-UHFFFAOYSA-N 0 2 395.462 3.179 10 0 GGAELN Cc1ccc(NS(=O)(=O)c2cc(-c3ccc(=O)[nH]n3)cs2)cc1Cl ZINC000065119332 222101735 /nfs/dbraw/zinc/10/17/35/222101735.db2.gz SBNOKAPDGZFJTI-UHFFFAOYSA-N 0 2 381.866 3.261 10 0 GGAELN CSc1cccc(NS(=O)(=O)c2cc(-c3ccc(=O)[nH]n3)cs2)c1 ZINC000065119364 222102609 /nfs/dbraw/zinc/10/26/09/222102609.db2.gz XONBXHBCGMDWQQ-UHFFFAOYSA-N 0 2 379.488 3.021 10 0 GGAELN CCn1nc(-c2csc(S(=O)(=O)Nc3c(C)cccc3C)c2)ccc1=O ZINC000065129011 222102663 /nfs/dbraw/zinc/10/26/63/222102663.db2.gz KQXBQKVFORFPMO-UHFFFAOYSA-N 0 2 389.502 3.409 10 0 GGAELN Cc1nnc(-c2c(C)n(C)c(C)c2S(=O)(=O)Nc2cc(F)cc(F)c2)o1 ZINC000065194117 222108146 /nfs/dbraw/zinc/10/81/46/222108146.db2.gz ZVTNBZUJXGAULD-UHFFFAOYSA-N 0 2 382.392 3.079 10 0 GGAELN COc1ccc(C)cc1NS(=O)(=O)c1c(C)n(C)c(C)c1-c1nnc(C)o1 ZINC000065194115 222108718 /nfs/dbraw/zinc/10/87/18/222108718.db2.gz AHGUCGHDWZUJEH-UHFFFAOYSA-N 0 2 390.465 3.118 10 0 GGAELN CCC(=O)N1CCc2sc(S(=O)(=O)Nc3ccc(C)cc3C)cc2C1 ZINC000065196169 222109979 /nfs/dbraw/zinc/10/99/79/222109979.db2.gz AUGCPRFCHCGLIF-UHFFFAOYSA-N 0 2 378.519 3.460 10 0 GGAELN CCC(=O)N1CCc2sc(S(=O)(=O)Nc3ccc(F)c(C)c3)cc2C1 ZINC000065196186 222110004 /nfs/dbraw/zinc/11/00/04/222110004.db2.gz ACKHINLIAWUAEM-UHFFFAOYSA-N 0 2 382.482 3.291 10 0 GGAELN CCC(=O)N1CCc2sc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2C1 ZINC000065196171 222110356 /nfs/dbraw/zinc/11/03/56/222110356.db2.gz QNFNTXMXSDOKSO-UHFFFAOYSA-N 0 2 378.519 3.460 10 0 GGAELN CCOC(=O)c1c(C)c(S(=O)(=O)Nc2ccccc2OCC)c(C)n1C ZINC000064863318 222086093 /nfs/dbraw/zinc/08/60/93/222086093.db2.gz JTEXQPIRQIHUPS-UHFFFAOYSA-N 0 2 380.466 3.018 10 0 GGAELN Cc1cccc(NS(=O)(=O)c2ccc(CC(=O)N3CCCCC3)s2)c1 ZINC000064919833 222087836 /nfs/dbraw/zinc/08/78/36/222087836.db2.gz MPVMBMOQRDJGPG-UHFFFAOYSA-N 0 2 378.519 3.412 10 0 GGAELN CCc1ccc(NS(=O)(=O)c2ccc(CC(=O)N3CCCC3)s2)cc1 ZINC000064919591 222087986 /nfs/dbraw/zinc/08/79/86/222087986.db2.gz GIBZVNZNVDNRGY-UHFFFAOYSA-N 0 2 378.519 3.276 10 0 GGAELN CCOc1ccc(NS(=O)(=O)c2ccc(CC(=O)N3CCCC3)s2)cc1 ZINC000064919598 222088307 /nfs/dbraw/zinc/08/83/07/222088307.db2.gz HVZKCGHEHPOQSO-UHFFFAOYSA-N 0 2 394.518 3.113 10 0 GGAELN Cc1ccc(NS(=O)(=O)c2ccc(CC(=O)N3CCCC3)s2)cc1F ZINC000064919665 222088349 /nfs/dbraw/zinc/08/83/49/222088349.db2.gz JJYOBXKJLCRHQM-UHFFFAOYSA-N 0 2 382.482 3.161 10 0 GGAELN O=C(Cc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)s1)N1CCCC1 ZINC000064919572 222088418 /nfs/dbraw/zinc/08/84/18/222088418.db2.gz IVKBAQQWKIURPC-UHFFFAOYSA-N 0 2 384.910 3.367 10 0 GGAELN COc1ccc(NS(=O)(=O)c2ccc(-c3ccno3)cc2OC)c(OC)c1 ZINC000064979507 222092494 /nfs/dbraw/zinc/09/24/94/222092494.db2.gz LNSCVHBUKPRFIC-UHFFFAOYSA-N 0 2 390.417 3.168 10 0 GGAELN CCCC(=O)Nc1cccc(CNC(=O)c2c[nH]c3nc(C)ccc3c2=O)c1 ZINC000071960981 222200810 /nfs/dbraw/zinc/20/08/10/222200810.db2.gz BCILXJXGBFTOED-UHFFFAOYSA-N 0 2 378.432 3.312 10 0 GGAELN CC(C)(C)OC(=O)N1CCCC[C@H]1CS(=O)(=O)c1nc2ccccc2[nH]1 ZINC000095086735 222329976 /nfs/dbraw/zinc/32/99/76/222329976.db2.gz DWHZWIQEYKXPIU-ZDUSSCGKSA-N 0 2 379.482 3.126 10 0 GGAELN CC(C)(C)OC(=O)N1CCCC[C@@H]1CS(=O)(=O)c1nc2ccccc2[nH]1 ZINC000095086734 222330203 /nfs/dbraw/zinc/33/02/03/222330203.db2.gz DWHZWIQEYKXPIU-CYBMUJFWSA-N 0 2 379.482 3.126 10 0 GGAELN CC(C)[C@@]1(c2ccc(-c3ccc4cccc(F)c4c3)[nH]c2=O)OC(=O)NC1=O ZINC000083259867 222311922 /nfs/dbraw/zinc/31/19/22/222311922.db2.gz HBIUBRAEDHJWRD-NRFANRHFSA-N 0 2 380.375 3.452 10 0 GGAELN CCCOc1ccc(Cn2c(=O)c3ccc(C(=O)OC)cc3[nH]c2=S)cc1 ZINC000073660793 520382061 /nfs/dbraw/zinc/38/20/61/520382061.db2.gz JYNSMSIITGVNDQ-UHFFFAOYSA-N 0 2 384.457 3.309 10 0 GGAELN CCN(CCCn1c(=O)c2ccc(C(=O)OC)cc2[nH]c1=S)c1ccccc1 ZINC000073660875 521043238 /nfs/dbraw/zinc/04/32/38/521043238.db2.gz HYWKWDLSTRRPNU-UHFFFAOYSA-N 0 2 397.500 3.388 10 0 GGAELN COc1ccccc1OCCn1c(=O)c2cc(OC)c(OC)cc2[nH]c1=S ZINC000073659439 524678531 /nfs/dbraw/zinc/67/85/31/524678531.db2.gz GHIMIRCETVSXKX-UHFFFAOYSA-N 0 2 388.445 3.164 10 0 GGAELN CCCCC(=O)Nc1ccc(N2CCN(c3cccc[nH+]3)CC2)cc1C(=O)[O-] ZINC000064589745 534954761 /nfs/dbraw/zinc/95/47/61/534954761.db2.gz HKYAJNZSYNIGNM-UHFFFAOYSA-N 0 2 382.464 3.235 10 0 GGAELN CCc1ccc(S(=O)(=O)Nc2ccc(C(=O)c3nccn3C)cc2)s1 ZINC000116158659 564204630 /nfs/dbraw/zinc/20/46/30/564204630.db2.gz ODFZSWHNZSSZKW-UHFFFAOYSA-N 0 2 375.475 3.076 10 0 GGAELN CCc1ccc(S(=O)(=O)Nc2cccc(C[S@@](=O)CCOC)c2)s1 ZINC000116711559 564215135 /nfs/dbraw/zinc/21/51/35/564215135.db2.gz UZMHDYXJJNKNHK-HSZRJFAPSA-N 0 2 387.548 3.006 10 0 GGAELN CCc1ccc(S(=O)(=O)Nc2cccc(C[S@](=O)CCOC)c2)s1 ZINC000116711563 564215173 /nfs/dbraw/zinc/21/51/73/564215173.db2.gz UZMHDYXJJNKNHK-QHCPKHFHSA-N 0 2 387.548 3.006 10 0 GGAELN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3O)C2)n1 ZINC000116977576 564221164 /nfs/dbraw/zinc/22/11/64/564221164.db2.gz WPUKKSRAHHDONQ-GFCCVEGCSA-N 0 2 383.279 3.460 10 0 GGAELN CNC(=O)c1ccc(S(=O)(=O)Nc2cccc(Cl)c2OC(C)C)cc1 ZINC000118301613 564238569 /nfs/dbraw/zinc/23/85/69/564238569.db2.gz NJXCTJKHMROATP-UHFFFAOYSA-N 0 2 382.869 3.288 10 0 GGAELN O=C(c1cc(Cl)cc(Br)c1O)N1CC[C@H](Oc2cccnc2)C1 ZINC000119611207 564279114 /nfs/dbraw/zinc/27/91/14/564279114.db2.gz XSCARRXQNCCYFA-LBPRGKRZSA-N 0 2 397.656 3.497 10 0 GGAELN C[C@@H]1CC[C@@H](C)N(C(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)C1 ZINC000120099524 564304787 /nfs/dbraw/zinc/30/47/87/564304787.db2.gz DTNCYIDZEUTAGY-CHWSQXEVSA-N 0 2 379.507 3.205 10 0 GGAELN C[C@H]1CC[C@H](C)N(C(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)C1 ZINC000120099360 564305019 /nfs/dbraw/zinc/30/50/19/564305019.db2.gz DTNCYIDZEUTAGY-STQMWFEESA-N 0 2 379.507 3.205 10 0 GGAELN COc1ccsc1S(=O)(=O)Nc1cccc(-c2n[nH]c(C3CC3)n2)c1 ZINC000121246037 564361164 /nfs/dbraw/zinc/36/11/64/564361164.db2.gz JXHFQWXOZREOJM-UHFFFAOYSA-N 0 2 376.463 3.220 10 0 GGAELN CCc1ccc(S(=O)(=O)Nc2ccnn2Cc2ccc(OC)cc2)s1 ZINC000123662072 564457509 /nfs/dbraw/zinc/45/75/09/564457509.db2.gz MJOHYRUJEXJSPV-UHFFFAOYSA-N 0 2 377.491 3.365 10 0 GGAELN CSCCC(=O)N[C@@H](C)c1ccccc1NS(=O)(=O)c1cccs1 ZINC000125698253 564523201 /nfs/dbraw/zinc/52/32/01/564523201.db2.gz FYVUAPBBIAXANX-LBPRGKRZSA-N 0 2 384.548 3.479 10 0 GGAELN Cc1nc(NS(=O)(=O)c2ccc(F)cc2Br)cc(C2CC2)n1 ZINC000127459231 564584262 /nfs/dbraw/zinc/58/42/62/564584262.db2.gz XPAIPXOPSWERPF-UHFFFAOYSA-N 0 2 386.246 3.365 10 0 GGAELN O=C(c1c(O)cc(F)cc1F)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000127540112 564587223 /nfs/dbraw/zinc/58/72/23/564587223.db2.gz KQGDMFDAYBQQND-UHFFFAOYSA-N 0 2 388.201 3.335 10 0 GGAELN Cc1nn(C)c(Cl)c1S(=O)(=O)Nc1ccc(NC(=O)CC(C)C)cc1 ZINC000055581627 564624250 /nfs/dbraw/zinc/62/42/50/564624250.db2.gz QZXBCEKJIBDLHF-UHFFFAOYSA-N 0 2 384.889 3.167 10 0 GGAELN CCOc1ccc(S(=O)(=O)Nc2nc(-c3sccc3C)ns2)cn1 ZINC000129053233 564637030 /nfs/dbraw/zinc/63/70/30/564637030.db2.gz YCVSLMYZWNFJNA-UHFFFAOYSA-N 0 2 382.492 3.170 10 0 GGAELN CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc(Cl)c(Cl)c1O ZINC000129572732 564653550 /nfs/dbraw/zinc/65/35/50/564653550.db2.gz GDKVSYWGBYKMMK-CQSZACIVSA-N 0 2 381.259 3.128 10 0 GGAELN COCCc1cc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)n(C)n1 ZINC000129645568 564655466 /nfs/dbraw/zinc/65/54/66/564655466.db2.gz RLXJWRQSNWAQGN-UHFFFAOYSA-N 0 2 397.806 3.082 10 0 GGAELN COC(=O)CCc1csc(NS(=O)(=O)c2cccc3ccccc32)n1 ZINC000129743454 564659393 /nfs/dbraw/zinc/65/93/93/564659393.db2.gz DQVSNRFIRHZVCO-UHFFFAOYSA-N 0 2 376.459 3.203 10 0 GGAELN CC(=O)Nc1cc(F)c(S(=O)(=O)Nc2cc(O)cc(F)c2)cc1Cl ZINC000131382836 564710225 /nfs/dbraw/zinc/71/02/25/564710225.db2.gz WKXYGJJUURGMKJ-UHFFFAOYSA-N 0 2 376.768 3.083 10 0 GGAELN COc1ccc(Br)c(S(=O)(=O)Nc2cc(O)cc(F)c2)c1 ZINC000131412544 564711458 /nfs/dbraw/zinc/71/14/58/564711458.db2.gz RSJNLAVTRHGJJZ-UHFFFAOYSA-N 0 2 376.203 3.103 10 0 GGAELN COC(=O)c1ccc(S(=O)(=O)Nc2cc(-c3cccs3)[nH]n2)c(C)c1 ZINC000132261556 564737684 /nfs/dbraw/zinc/73/76/84/564737684.db2.gz MMIGYAKRRLUVJY-UHFFFAOYSA-N 0 2 377.447 3.034 10 0 GGAELN CS(=O)(=O)c1ccccc1S(=O)(=O)Nc1ccc(F)c(C(F)(F)F)c1 ZINC000067124845 564784699 /nfs/dbraw/zinc/78/46/99/564784699.db2.gz ACPJUVNZHFDHEJ-UHFFFAOYSA-N 0 2 397.371 3.049 10 0 GGAELN CN(C)c1ncc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)cn1 ZINC000133891061 564788094 /nfs/dbraw/zinc/78/80/94/564788094.db2.gz LPUYGYGXWUQAEJ-UHFFFAOYSA-N 0 2 380.779 3.016 10 0 GGAELN C[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1O)C(C)(C)C ZINC000134242435 564797387 /nfs/dbraw/zinc/79/73/87/564797387.db2.gz UCVGOCSLFYOJKR-LLVKDONJSA-N 0 2 382.507 3.419 10 0 GGAELN Cc1cccnc1NS(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000069674166 564842848 /nfs/dbraw/zinc/84/28/48/564842848.db2.gz HLLBIEWJYAXAKD-UHFFFAOYSA-N 0 2 395.200 3.394 10 0 GGAELN CNC(=O)c1ccc(S(=O)(=O)Nc2nc3ccc(Cl)cc3s2)cc1 ZINC000071033976 564855149 /nfs/dbraw/zinc/85/51/49/564855149.db2.gz LJFGTWUDUCHREM-UHFFFAOYSA-N 0 2 381.866 3.110 10 0 GGAELN COC(=O)c1ccc(S(=O)(=O)Nc2ccnn2[C@H](C)C2CC2)cc1Cl ZINC000137414672 564862142 /nfs/dbraw/zinc/86/21/42/564862142.db2.gz KHLIGCSARDVBFH-SNVBAGLBSA-N 0 2 383.857 3.095 10 0 GGAELN O=S(=O)(Nc1cccn2nc(C3CC3)nc12)c1ccc(Br)cc1 ZINC000097078073 564904988 /nfs/dbraw/zinc/90/49/88/564904988.db2.gz HKCUVOPXMXRLDM-UHFFFAOYSA-N 0 2 393.266 3.170 10 0 GGAELN COCCOc1ncccc1NS(=O)(=O)c1cc(Cl)sc1Cl ZINC000102748484 564933925 /nfs/dbraw/zinc/93/39/25/564933925.db2.gz GITMXMUGCUQZKM-UHFFFAOYSA-N 0 2 383.278 3.276 10 0 GGAELN COc1cccc(-c2nsc(NS(=O)(=O)c3cccc(F)c3F)n2)c1 ZINC000152503944 564961420 /nfs/dbraw/zinc/96/14/20/564961420.db2.gz RJPNQENBZMLOMA-UHFFFAOYSA-N 0 2 383.401 3.293 10 0 GGAELN COc1cccc(-c2nsc(NS(=O)(=O)c3cccc(F)c3C)n2)c1 ZINC000152507662 564962558 /nfs/dbraw/zinc/96/25/58/564962558.db2.gz OXKPDUNBRKDNKG-UHFFFAOYSA-N 0 2 379.438 3.462 10 0 GGAELN O=C(NC1CCN(C(=O)c2ccco2)CC1)c1ccc(Cl)c(Cl)c1O ZINC000106903389 564991444 /nfs/dbraw/zinc/99/14/44/564991444.db2.gz XFKUYVCULCVFBK-UHFFFAOYSA-N 0 2 383.231 3.327 10 0 GGAELN Cc1noc(C)c1CN1CCN(C(=O)c2ccc(Cl)c(Cl)c2O)CC1 ZINC000106905685 564991679 /nfs/dbraw/zinc/99/16/79/564991679.db2.gz RZHUUBXIECQTNF-UHFFFAOYSA-N 0 2 384.263 3.262 10 0 GGAELN CCOC(=O)c1sc(NS(=O)(=O)c2c(F)cccc2Cl)nc1C ZINC000153440273 564995425 /nfs/dbraw/zinc/99/54/25/564995425.db2.gz YEZBTCPMLSYXJG-UHFFFAOYSA-N 0 2 378.834 3.222 10 0 GGAELN Cc1cc(S(=O)(=O)Nc2ccc(N3CCCC3=O)cn2)c(Cl)cc1F ZINC000153490611 564998127 /nfs/dbraw/zinc/99/81/27/564998127.db2.gz VFQVMORYYWUBQJ-UHFFFAOYSA-N 0 2 383.832 3.110 10 0 GGAELN COC(=O)c1ccc(S(=O)(=O)Nc2cccc(-c3ncc(C)o3)c2)s1 ZINC000108985542 565019970 /nfs/dbraw/zinc/01/99/70/565019970.db2.gz JEQJMTJLAUKKHS-UHFFFAOYSA-N 0 2 378.431 3.299 10 0 GGAELN CN1C(=S)N=NC1[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2O)C1 ZINC000111612303 565056138 /nfs/dbraw/zinc/05/61/38/565056138.db2.gz NSEQIBONUXKJFL-QMMMGPOBSA-N 0 2 387.292 3.136 10 0 GGAELN CN1C(=S)N=NC1[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2O)C1 ZINC000111612300 565056175 /nfs/dbraw/zinc/05/61/75/565056175.db2.gz NSEQIBONUXKJFL-MRVPVSSYSA-N 0 2 387.292 3.136 10 0 GGAELN CCc1ccc(S(=O)(=O)Nc2cccc(CS(=O)(=O)C(C)C)c2)s1 ZINC000112266896 565061558 /nfs/dbraw/zinc/06/15/58/565061558.db2.gz NUQZHAUDELEVKT-UHFFFAOYSA-N 0 2 387.548 3.435 10 0 GGAELN C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)c1cc(F)c(O)c(Cl)c1 ZINC000184232961 565121635 /nfs/dbraw/zinc/12/16/35/565121635.db2.gz UKZHYEXIPGHNGD-SNVBAGLBSA-N 0 2 385.844 3.421 10 0 GGAELN O=C(N[C@H]1CCN(c2ccccc2Cl)C1=O)c1cc(F)c(O)c(Cl)c1 ZINC000184395300 565133748 /nfs/dbraw/zinc/13/37/48/565133748.db2.gz JWRAEBWLYMCXBM-ZDUSSCGKSA-N 0 2 383.206 3.373 10 0 GGAELN O=C(N[C@H]1CCN(c2cccc(Cl)c2)C1=O)c1cc(F)c(O)c(Cl)c1 ZINC000184480444 565136636 /nfs/dbraw/zinc/13/66/36/565136636.db2.gz SCEHGTCNSGSAEF-AWEZNQCLSA-N 0 2 383.206 3.373 10 0 GGAELN O=S(=O)(N[C@@H](c1nccs1)C(F)(F)F)c1cccnc1C(F)(F)F ZINC000292856236 565138338 /nfs/dbraw/zinc/13/83/38/565138338.db2.gz QYWBSDASUHNQNQ-QMMMGPOBSA-N 0 2 391.318 3.139 10 0 GGAELN COC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2ccnn2[C@H](C)C2CC2)c1 ZINC000157743795 565142006 /nfs/dbraw/zinc/14/20/06/565142006.db2.gz NRJXBPQERJQALH-SNVBAGLBSA-N 0 2 383.857 3.095 10 0 GGAELN Cc1nn(C)c(Cl)c1S(=O)(=O)Nc1cc(F)c(Br)cc1C ZINC000185320060 565195885 /nfs/dbraw/zinc/19/58/85/565195885.db2.gz FKMHQXQXFVLTKB-UHFFFAOYSA-N 0 2 396.669 3.393 10 0 GGAELN CCc1noc2ncc(S(=O)(=O)Nc3ccc(C(C)=O)c(Cl)c3)cc12 ZINC000185642100 565213286 /nfs/dbraw/zinc/21/32/86/565213286.db2.gz OBPHXYADPUKSIU-UHFFFAOYSA-N 0 2 379.825 3.442 10 0 GGAELN CC[C@@H](C)N(OC)C(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1O ZINC000270842390 565230082 /nfs/dbraw/zinc/23/00/82/565230082.db2.gz IEWNYHLFOKGLOX-LLVKDONJSA-N 0 2 384.479 3.057 10 0 GGAELN O=C(c1cc(Br)c(F)cc1O)N1CCCN(CC(F)(F)F)CC1 ZINC000294824378 565230807 /nfs/dbraw/zinc/23/08/07/565230807.db2.gz WOROFYSJMVUDMM-UHFFFAOYSA-N 0 2 399.182 3.004 10 0 GGAELN COC(=O)c1cc(S(=O)(=O)Nc2cn(C)nc2C2CCCCC2)cs1 ZINC000294954171 565237237 /nfs/dbraw/zinc/23/72/37/565237237.db2.gz BBRVEHSYGKPSIH-UHFFFAOYSA-N 0 2 383.495 3.117 10 0 GGAELN CC(=O)Nc1cc(F)c(S(=O)(=O)NC(C)(C)C(F)(F)F)cc1Cl ZINC000295198790 565250109 /nfs/dbraw/zinc/25/01/09/565250109.db2.gz MSOUVXVNFQFLGU-UHFFFAOYSA-N 0 2 376.759 3.057 10 0 GGAELN O=S(=O)(Nc1nncs1)c1ccc(Br)cc1C(F)(F)F ZINC000160559540 565250190 /nfs/dbraw/zinc/25/01/90/565250190.db2.gz MLFOGWPVRNZSRO-UHFFFAOYSA-N 0 2 388.190 3.120 10 0 GGAELN O=C(c1cc(Br)c(F)cc1O)N1CC[C@H](OCc2ccncc2)C1 ZINC000295241910 565254063 /nfs/dbraw/zinc/25/40/63/565254063.db2.gz LRLSTTMTJGWATA-LBPRGKRZSA-N 0 2 395.228 3.120 10 0 GGAELN Cc1coc(-c2ccc(C)c(NS(=O)(=O)c3c(C)nn(C)c3Cl)c2)n1 ZINC000161080083 565272459 /nfs/dbraw/zinc/27/24/59/565272459.db2.gz QUVJJKIISJFSBI-UHFFFAOYSA-N 0 2 380.857 3.455 10 0 GGAELN COCCCn1cc(C)c(NC(=O)c2cc(Br)c(F)cc2O)n1 ZINC000295660661 565279757 /nfs/dbraw/zinc/27/97/57/565279757.db2.gz NEBVWPDJWIYYCY-UHFFFAOYSA-N 0 2 386.221 3.088 10 0 GGAELN O=S(=O)(Nc1ncc(C2CCOCC2)s1)c1ccc2ncsc2c1 ZINC000296538237 565322158 /nfs/dbraw/zinc/32/21/58/565322158.db2.gz DVPOJPFOQHKOFJ-UHFFFAOYSA-N 0 2 381.504 3.448 10 0 GGAELN O=S(=O)(Nc1cc(-c2ccncc2)n[nH]1)c1cccc(Br)c1 ZINC000163192172 565339184 /nfs/dbraw/zinc/33/91/84/565339184.db2.gz ATVBBBMGFMAWFI-UHFFFAOYSA-N 0 2 379.239 3.035 10 0 GGAELN O=S(=O)(Nc1cc(-c2ccncc2)[nH]n1)c1cccc(Br)c1 ZINC000163192172 565339188 /nfs/dbraw/zinc/33/91/88/565339188.db2.gz ATVBBBMGFMAWFI-UHFFFAOYSA-N 0 2 379.239 3.035 10 0 GGAELN O=C(N[C@@H]1CCO[C@@H](c2cccnc2)C1)c1cc(Br)c(F)cc1O ZINC000296961047 565347393 /nfs/dbraw/zinc/34/73/93/565347393.db2.gz KBKNGVLDFKRBKG-BDJLRTHQSA-N 0 2 395.228 3.339 10 0 GGAELN CCc1noc(C)c1NS(=O)(=O)c1cc(Br)c(F)cc1F ZINC000164863285 565364699 /nfs/dbraw/zinc/36/46/99/565364699.db2.gz VGGXZFFMXOTHRN-UHFFFAOYSA-N 0 2 381.198 3.387 10 0 GGAELN COc1cc(OC)c(S(=O)(=O)Nc2ccccc2CSC)c(OC)c1 ZINC000274987609 565388102 /nfs/dbraw/zinc/38/81/02/565388102.db2.gz CRWPZQXKSNKBCJ-UHFFFAOYSA-N 0 2 383.491 3.376 10 0 GGAELN CC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cccc3c2OCC[C@@H]3O)c1 ZINC000375646856 565398804 /nfs/dbraw/zinc/39/88/04/565398804.db2.gz LPRQDTFDQGMUPX-HNNXBMFYSA-N 0 2 381.837 3.159 10 0 GGAELN Cc1[nH]c(=O)c(Br)cc1C(=O)N=c1nc(-c2ccsc2)[nH]s1 ZINC000375754413 565404068 /nfs/dbraw/zinc/40/40/68/565404068.db2.gz CTBBMRBOUDRBKC-UHFFFAOYSA-N 0 2 397.279 3.112 10 0 GGAELN O=C([O-])c1cc([NH+]2CCCC2)ccc1NS(=O)(=O)CCCC(F)(F)F ZINC000275366219 565405891 /nfs/dbraw/zinc/40/58/91/565405891.db2.gz YCSVKNJPGWKMNP-UHFFFAOYSA-N 0 2 380.388 3.069 10 0 GGAELN COC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1ccc(OC(F)F)cc1 ZINC000298375109 565410828 /nfs/dbraw/zinc/41/08/28/565410828.db2.gz APDRAQAKXPDJRL-UHFFFAOYSA-N 0 2 375.349 3.085 10 0 GGAELN COC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1nc2ccc(C)cc2s1 ZINC000171146776 565412384 /nfs/dbraw/zinc/41/23/84/565412384.db2.gz NUVYXRYFHSMZHK-UHFFFAOYSA-N 0 2 380.447 3.402 10 0 GGAELN CNC(=O)c1ccc(S(=O)(=O)Nc2nc3cc(Cl)ccc3s2)cc1 ZINC000171152495 565414582 /nfs/dbraw/zinc/41/45/82/565414582.db2.gz MSTGNSYDSDAGGS-UHFFFAOYSA-N 0 2 381.866 3.110 10 0 GGAELN O=S(=O)(Nc1cccc2cccnc21)c1cc2c(cc1Cl)OCCO2 ZINC000171179983 565415829 /nfs/dbraw/zinc/41/58/29/565415829.db2.gz PQDIIPXXPCJQMC-UHFFFAOYSA-N 0 2 376.821 3.460 10 0 GGAELN CCCC[N@@H+]1Cc2cccc([N-]S(=O)(=O)c3c(C)nn(C)c3Cl)c2C1 ZINC000171345701 565426918 /nfs/dbraw/zinc/42/69/18/565426918.db2.gz ZNBQOMIMBDLDQA-UHFFFAOYSA-N 0 2 382.917 3.298 10 0 GGAELN CCCC[N@H+]1Cc2cccc([N-]S(=O)(=O)c3c(C)nn(C)c3Cl)c2C1 ZINC000171345701 565426919 /nfs/dbraw/zinc/42/69/19/565426919.db2.gz ZNBQOMIMBDLDQA-UHFFFAOYSA-N 0 2 382.917 3.298 10 0 GGAELN O=C(NOCc1ccc(F)cc1Br)[C@@H]1CC(=O)Nc2ccccc21 ZINC000188925447 565433009 /nfs/dbraw/zinc/43/30/09/565433009.db2.gz RNTRLWUOYCJZNM-CYBMUJFWSA-N 0 2 393.212 3.262 10 0 GGAELN COc1ncccc1NS(=O)(=O)c1c(Cl)cccc1Br ZINC000379993775 565540264 /nfs/dbraw/zinc/54/02/64/565540264.db2.gz NFJKPUIJNGSULN-UHFFFAOYSA-N 0 2 377.647 3.307 10 0 GGAELN COC(=O)NCCc1ccc(S(=O)(=O)Nc2cccc(C(F)F)c2)s1 ZINC000190762570 565556588 /nfs/dbraw/zinc/55/65/88/565556588.db2.gz AIXNJVQGTDOOMS-UHFFFAOYSA-N 0 2 390.433 3.385 10 0 GGAELN CC(C)c1nn(C)cc1NS(=O)(=O)c1ccc(F)cc1Br ZINC000313742845 565584539 /nfs/dbraw/zinc/58/45/39/565584539.db2.gz GFOAXFSTAQBOFX-UHFFFAOYSA-N 0 2 376.251 3.246 10 0 GGAELN CC(=O)N(C)c1cccc(NS(=O)(=O)c2sccc2Br)c1 ZINC000174054112 565609656 /nfs/dbraw/zinc/60/96/56/565609656.db2.gz RSJFMRBETQPHFB-UHFFFAOYSA-N 0 2 389.296 3.294 10 0 GGAELN CCOc1ccc(C(=O)N(C)C)cc1NS(=O)(=O)c1cc(C)sc1C ZINC000175014746 565673568 /nfs/dbraw/zinc/67/35/68/565673568.db2.gz RDFQNIPEZAUUIS-UHFFFAOYSA-N 0 2 382.507 3.266 10 0 GGAELN COc1cc(Cl)c(S(=O)(=O)Nc2ccnn2[C@@H](C)C2CC2)cc1OC ZINC000192793833 565711460 /nfs/dbraw/zinc/71/14/60/565711460.db2.gz ATWRPERQKKQBOB-JTQLQIEISA-N 0 2 385.873 3.326 10 0 GGAELN CC[C@H]1CCCC[C@H]1NC(=O)C(=O)N=c1nc(-c2sccc2C)[nH]s1 ZINC000411145518 565714134 /nfs/dbraw/zinc/71/41/34/565714134.db2.gz CIQVDEYJGSFWAO-NWDGAFQWSA-N 0 2 378.523 3.020 10 0 GGAELN COC(=O)c1ccc(S(=O)(=O)Nc2cc(C)c(Br)cn2)c(C)c1 ZINC000175656939 565714399 /nfs/dbraw/zinc/71/43/99/565714399.db2.gz RRMSILSPANQWOD-UHFFFAOYSA-N 0 2 399.266 3.048 10 0 GGAELN COc1ccc(S(=O)(=O)Nc2cn(C)nc2C(C)C)cc1Br ZINC000281247536 565719531 /nfs/dbraw/zinc/71/95/31/565719531.db2.gz VSZPKWJBPVMMEW-UHFFFAOYSA-N 0 2 388.287 3.115 10 0 GGAELN Cc1ccsc1-c1nc(=NC(=O)C(=O)N[C@H](C)CCC(C)(C)C)s[nH]1 ZINC000411242725 565720486 /nfs/dbraw/zinc/72/04/86/565720486.db2.gz RTRBHERYIRYTIM-LLVKDONJSA-N 0 2 380.539 3.266 10 0 GGAELN Cc1ccsc1-c1nc(=NC(=O)C(=O)NC2CCC(C)(C)CC2)s[nH]1 ZINC000411255499 565720567 /nfs/dbraw/zinc/72/05/67/565720567.db2.gz PIBAMZNWIKSNTN-UHFFFAOYSA-N 0 2 378.523 3.020 10 0 GGAELN Cc1ccsc1-c1nc(=NC(=O)C(=O)N[C@H]2CCCCC2(C)C)s[nH]1 ZINC000411293331 565722152 /nfs/dbraw/zinc/72/21/52/565722152.db2.gz APWVQPLKCRVYIY-NSHDSACASA-N 0 2 378.523 3.020 10 0 GGAELN Cc1ccsc1-c1nc(=NC(=O)C(=O)N[C@@H]2CCCCC2(C)C)s[nH]1 ZINC000411293330 565722266 /nfs/dbraw/zinc/72/22/66/565722266.db2.gz APWVQPLKCRVYIY-LLVKDONJSA-N 0 2 378.523 3.020 10 0 GGAELN Cc1ncc(NC(=O)C(=O)Nc2cc(Cl)c(O)c(Cl)c2)c(C2CC2)n1 ZINC000411387923 565727546 /nfs/dbraw/zinc/72/75/46/565727546.db2.gz KHODFQVVGRQFLL-UHFFFAOYSA-N 0 2 381.219 3.252 10 0 GGAELN Cc1ccsc1-c1nc(=NC(=O)C(=O)N[C@@H]2CCC[C@H](C)CC2)s[nH]1 ZINC000411449235 565729883 /nfs/dbraw/zinc/72/98/83/565729883.db2.gz SHFNZVWNRWCBMN-CMPLNLGQSA-N 0 2 378.523 3.020 10 0 GGAELN Cc1ccsc1-c1nc(=NC(=O)C(=O)NC(C)(C)CC(C)(C)C)s[nH]1 ZINC000411460734 565731279 /nfs/dbraw/zinc/73/12/79/565731279.db2.gz HUGFKRFHFCAFKM-UHFFFAOYSA-N 0 2 380.539 3.266 10 0 GGAELN Cc1ccsc1-c1nc(=NC(=O)C(=O)N[C@@H]2CCC[C@@H](C)CC2)s[nH]1 ZINC000411449241 565731484 /nfs/dbraw/zinc/73/14/84/565731484.db2.gz SHFNZVWNRWCBMN-ZYHUDNBSSA-N 0 2 378.523 3.020 10 0 GGAELN CCC[C@@H](NC(=O)C(=O)N=c1nc(-c2sccc2C)[nH]s1)C(C)(C)C ZINC000411578198 565737898 /nfs/dbraw/zinc/73/78/98/565737898.db2.gz RSVLTJBSYNPVSM-LLVKDONJSA-N 0 2 380.539 3.266 10 0 GGAELN CCC[C@H](NC(=O)C(=O)N=c1nc(-c2sccc2C)[nH]s1)C(C)(C)C ZINC000411578199 565738052 /nfs/dbraw/zinc/73/80/52/565738052.db2.gz RSVLTJBSYNPVSM-NSHDSACASA-N 0 2 380.539 3.266 10 0 GGAELN O=C(Nc1ccc2c(c1)OCC(=O)N2)c1cc(Cl)cc(Br)c1O ZINC000176277217 565762267 /nfs/dbraw/zinc/76/22/67/565762267.db2.gz HQMHIUAHMFLMOB-UHFFFAOYSA-N 0 2 397.612 3.391 10 0 GGAELN CCCc1nnc(NS(=O)(=O)c2c(Cl)cccc2Br)o1 ZINC000282400239 565777058 /nfs/dbraw/zinc/77/70/58/565777058.db2.gz YTVSNTXXALASEV-UHFFFAOYSA-N 0 2 380.651 3.239 10 0 GGAELN COc1ccc(Br)cc1S(=O)(=O)Nc1cc(F)ccc1O ZINC000176579220 565785632 /nfs/dbraw/zinc/78/56/32/565785632.db2.gz WERCLGROCNCPGJ-UHFFFAOYSA-N 0 2 376.203 3.103 10 0 GGAELN Cc1c(NS(=O)(=O)c2c(Cl)nc3ccccn32)cnn1C1CCCC1 ZINC000194228421 565804301 /nfs/dbraw/zinc/80/43/01/565804301.db2.gz DGBNXSVGPLYKFM-UHFFFAOYSA-N 0 2 379.873 3.409 10 0 GGAELN Cc1ccc(-c2csc3[nH]c(CSc4n[nH]c(=O)[nH]4)nc(=O)c23)s1 ZINC000194617815 565826403 /nfs/dbraw/zinc/82/64/03/565826403.db2.gz XQZPNTMQUYJXKP-UHFFFAOYSA-N 0 2 377.476 3.138 10 0 GGAELN Cc1ccc(-c2nnc(NS(=O)(=O)c3ccc(C(F)(F)F)nc3)o2)s1 ZINC000194837454 565841879 /nfs/dbraw/zinc/84/18/79/565841879.db2.gz QGHNVGLTGUVMBV-UHFFFAOYSA-N 0 2 390.368 3.321 10 0 GGAELN Cc1cc(S(=O)(=O)Nc2nnc(CCOc3ccccc3)o2)c(C)s1 ZINC000194951094 565849312 /nfs/dbraw/zinc/84/93/12/565849312.db2.gz KFPWGKSJPRWVJB-UHFFFAOYSA-N 0 2 379.463 3.170 10 0 GGAELN COC(=O)c1ccc(Cl)cc1S(=O)(=O)Nc1ccc2oc(C)nc2c1 ZINC000195439986 565883954 /nfs/dbraw/zinc/88/39/54/565883954.db2.gz WZSRVKWOXTTXFG-UHFFFAOYSA-N 0 2 380.809 3.377 10 0 GGAELN O=S(=O)(Nc1nc(C2CCOCC2)cs1)c1ccc2ncsc2c1 ZINC000285160383 565891415 /nfs/dbraw/zinc/89/14/15/565891415.db2.gz SGJIDFKOMXOCSQ-UHFFFAOYSA-N 0 2 381.504 3.448 10 0 GGAELN CC(C)[C@@H](C)CNC(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000178079685 565895256 /nfs/dbraw/zinc/89/52/56/565895256.db2.gz VDHYUAOATXPMJM-LBPRGKRZSA-N 0 2 382.511 3.358 10 0 GGAELN CC(C)[C@H](C)CNC(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000178079697 565895323 /nfs/dbraw/zinc/89/53/23/565895323.db2.gz VDHYUAOATXPMJM-GFCCVEGCSA-N 0 2 382.511 3.358 10 0 GGAELN Cc1ccc(CC(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)s1 ZINC000178101720 565897707 /nfs/dbraw/zinc/89/77/07/565897707.db2.gz QMGOHPYAXGVQIO-UHFFFAOYSA-N 0 2 393.515 3.495 10 0 GGAELN COc1cc(OC)cc(S(=O)(=O)Nc2nc3cc(Cl)ccc3n2C)c1 ZINC000178313053 565911779 /nfs/dbraw/zinc/91/17/79/565911779.db2.gz WRURIDRDEUTNFM-UHFFFAOYSA-N 0 2 381.841 3.045 10 0 GGAELN COC(C)(C)CS(=O)(=O)Nc1cc(-c2ccc(Br)s2)[nH]n1 ZINC000414378014 565917882 /nfs/dbraw/zinc/91/78/82/565917882.db2.gz XLMLLCDJUNFYAK-UHFFFAOYSA-N 0 2 394.316 3.067 10 0 GGAELN COC(C)(C)CS(=O)(=O)Nc1ccc(Cl)cc1OCC(F)(F)F ZINC000414377680 565918827 /nfs/dbraw/zinc/91/88/27/565918827.db2.gz WQNYDRNTNOKUTC-UHFFFAOYSA-N 0 2 375.796 3.448 10 0 GGAELN COC(C)(C)CS(=O)(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000414380282 565920039 /nfs/dbraw/zinc/92/00/39/565920039.db2.gz IPDKUNDRBYWNOQ-AWEZNQCLSA-N 0 2 391.917 3.455 10 0 GGAELN CNC(=O)c1cc(Cl)c(C)c(S(=O)(=O)Nc2scnc2C(C)C)c1 ZINC000414382886 565920044 /nfs/dbraw/zinc/92/00/44/565920044.db2.gz LXYOSKVCSGEGDQ-UHFFFAOYSA-N 0 2 387.914 3.389 10 0 GGAELN COc1cc(OC)c(S(=O)(=O)Nc2ccnn2[C@H](C)C2CC2)cc1Cl ZINC000414387791 565920756 /nfs/dbraw/zinc/92/07/56/565920756.db2.gz ZTSOUONOUVIGTH-SNVBAGLBSA-N 0 2 385.873 3.326 10 0 GGAELN COC(C)(C)CS(=O)(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCCO1 ZINC000414387238 565921291 /nfs/dbraw/zinc/92/12/91/565921291.db2.gz YVBZIKZVPSBRFD-ZDUSSCGKSA-N 0 2 377.890 3.065 10 0 GGAELN CCC(CC)c1nnc(NS(=O)(=O)c2c(C(F)F)c(C)nn2C)s1 ZINC000414442022 565933238 /nfs/dbraw/zinc/93/32/38/565933238.db2.gz KQCIEBKHCHOXOT-UHFFFAOYSA-N 0 2 379.458 3.222 10 0 GGAELN CNC(=O)c1cc(Cl)c(C)c(S(=O)(=O)Nc2nc(C(C)(C)C)co2)c1 ZINC000414448859 565934747 /nfs/dbraw/zinc/93/47/47/565934747.db2.gz BVEQMSQTYCXBOG-UHFFFAOYSA-N 0 2 385.873 3.094 10 0 GGAELN Cc1cc(S(=O)(=O)Nc2ncn(C(C)(C)C)n2)c(F)cc1Br ZINC000414447872 565934921 /nfs/dbraw/zinc/93/49/21/565934921.db2.gz YJUQKQSMYMMPHQ-UHFFFAOYSA-N 0 2 391.266 3.044 10 0 GGAELN Oc1c(Br)cc(CN2C[C@H]3CC[C@@H](C2)O3)cc1Br ZINC000236593552 565939626 /nfs/dbraw/zinc/93/96/26/565939626.db2.gz XBJYPWMGPSTNGK-AOOOYVTPSA-N 0 2 377.076 3.280 10 0 GGAELN CCc1nc(NS(=O)(=O)c2ccc(C(=O)NC)cc2)sc1C(C)(C)C ZINC000414470549 565939100 /nfs/dbraw/zinc/93/91/00/565939100.db2.gz MSBVPLDTJRETBP-UHFFFAOYSA-N 0 2 381.523 3.163 10 0 GGAELN Oc1c(Br)cc(CN2CCn3ccnc3C2)cc1Br ZINC000236594842 565939413 /nfs/dbraw/zinc/93/94/13/565939413.db2.gz YAXGGEITJNPRIH-UHFFFAOYSA-N 0 2 387.075 3.130 10 0 GGAELN CC(C)[C@H](NS(=O)(=O)c1cc(F)ccc1Br)C(F)(F)F ZINC000414478107 565940325 /nfs/dbraw/zinc/94/03/25/565940325.db2.gz ODUKKIMUJUUXCV-JTQLQIEISA-N 0 2 378.185 3.453 10 0 GGAELN CCCCNC(=O)[C@H]1CSCN1C(=O)c1ccc(Cl)c(Cl)c1O ZINC000179497096 565984187 /nfs/dbraw/zinc/98/41/87/565984187.db2.gz CPSBHEVECSPQFL-LLVKDONJSA-N 0 2 377.293 3.130 10 0 GGAELN O=C(C[C@@H]1COCCN1C(=O)c1ccc(Cl)c(Cl)c1O)c1ccco1 ZINC000179829294 566010758 /nfs/dbraw/zinc/01/07/58/566010758.db2.gz NGWKHOACABPGSN-SNVBAGLBSA-N 0 2 384.215 3.406 10 0 GGAELN Cc1ccc(Br)cc1S(=O)(=O)Nc1c[nH]nc1-c1ccccn1 ZINC000179833948 566011729 /nfs/dbraw/zinc/01/17/29/566011729.db2.gz YAXTXKXYLTZNOT-UHFFFAOYSA-N 0 2 393.266 3.343 10 0 GGAELN Cc1ccc(Br)c(S(=O)(=O)Nc2c[nH]nc2-c2ccccn2)c1 ZINC000179834108 566012352 /nfs/dbraw/zinc/01/23/52/566012352.db2.gz UQVFGYIATBYJDP-UHFFFAOYSA-N 0 2 393.266 3.343 10 0 GGAELN Cc1cc(S(=O)(=O)Nc2c[nH]nc2-c2ccccn2)ccc1Br ZINC000179833375 566012464 /nfs/dbraw/zinc/01/24/64/566012464.db2.gz RILXFPPNWWWQAK-UHFFFAOYSA-N 0 2 393.266 3.343 10 0 GGAELN CCN1CCc2nc(NS(=O)(=O)c3ccc(OC(C)C)cc3)sc2C1 ZINC000180123302 566035639 /nfs/dbraw/zinc/03/56/39/566035639.db2.gz KPSRVUSZJXKSPY-UHFFFAOYSA-N 0 2 381.523 3.109 10 0 GGAELN CC(C)c1csc(NS(=O)(=O)c2ccc(OCC(F)(F)F)nc2)n1 ZINC000180137825 566036687 /nfs/dbraw/zinc/03/66/87/566036687.db2.gz DZPBWLIACICQQW-UHFFFAOYSA-N 0 2 381.401 3.403 10 0 GGAELN Cc1cc(S(=O)(=O)Nc2noc(COc3ccc(F)cc3)n2)c(C)s1 ZINC000180307316 566054072 /nfs/dbraw/zinc/05/40/72/566054072.db2.gz KHRQYFRZSFDYCA-UHFFFAOYSA-N 0 2 383.426 3.267 10 0 GGAELN COC(=O)c1ccc(Cl)cc1S(=O)(=O)Nc1ccc2c(C)n[nH]c2c1 ZINC000180355597 566057306 /nfs/dbraw/zinc/05/73/06/566057306.db2.gz OGHIAPVTHUCWKS-UHFFFAOYSA-N 0 2 379.825 3.112 10 0 GGAELN COC(=O)c1ccc(Cl)cc1S(=O)(=O)Nc1ccc2c(C)[nH]nc2c1 ZINC000180355597 566057315 /nfs/dbraw/zinc/05/73/15/566057315.db2.gz OGHIAPVTHUCWKS-UHFFFAOYSA-N 0 2 379.825 3.112 10 0 GGAELN O=S(=O)(Nc1nc(C2CCOCC2)cs1)c1cccnc1C(F)(F)F ZINC000288578865 566080240 /nfs/dbraw/zinc/08/02/40/566080240.db2.gz LMTCULSTZDKTDR-UHFFFAOYSA-N 0 2 393.412 3.252 10 0 GGAELN COC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1Br ZINC000180658501 566080190 /nfs/dbraw/zinc/08/01/90/566080190.db2.gz IKIAOQHGAWSESQ-UHFFFAOYSA-N 0 2 376.253 3.098 10 0 GGAELN O=S(=O)(Nc1nnc(C2CCCCC2)o1)c1cccnc1C(F)(F)F ZINC000288620550 566082864 /nfs/dbraw/zinc/08/28/64/566082864.db2.gz QJDZISXSLFURBX-UHFFFAOYSA-N 0 2 376.360 3.332 10 0 GGAELN CCOC(=O)c1sc(NS(=O)(=O)c2ccc(C(F)(F)F)nc2)cc1C ZINC000181316676 566132363 /nfs/dbraw/zinc/13/23/63/566132363.db2.gz XXTSQCDEQAWXOZ-UHFFFAOYSA-N 0 2 394.396 3.448 10 0 GGAELN CCCCCc1nnc(NS(=O)(=O)c2ccc(C(F)(F)F)nc2)s1 ZINC000181320107 566132939 /nfs/dbraw/zinc/13/29/39/566132939.db2.gz SEBNFTBORSDCDB-UHFFFAOYSA-N 0 2 380.417 3.485 10 0 GGAELN Cc1cc(S(=O)(=O)Nc2ccc(-c3cncnc3)cn2)c(Cl)cc1F ZINC000366914942 566176532 /nfs/dbraw/zinc/17/65/32/566176532.db2.gz QUBIKIBDODNNSF-UHFFFAOYSA-N 0 2 378.816 3.440 10 0 GGAELN Cc1nnc2n1C[C@@H](C(=O)[O-])[N@@H+](CCCCc1ccc(Cl)c(Cl)c1)C2 ZINC000263523596 566188251 /nfs/dbraw/zinc/18/82/51/566188251.db2.gz SFJKNNXNLHCJDL-HNNXBMFYSA-N 0 2 383.279 3.185 10 0 GGAELN Cc1nnc2n1C[C@@H](C(=O)[O-])[N@H+](CCCCc1ccc(Cl)c(Cl)c1)C2 ZINC000263523596 566188253 /nfs/dbraw/zinc/18/82/53/566188253.db2.gz SFJKNNXNLHCJDL-HNNXBMFYSA-N 0 2 383.279 3.185 10 0 GGAELN Cc1ccc(Br)c(S(=O)(=O)Nc2cccc3c2OCC[C@@H]3O)c1 ZINC000367145466 566188790 /nfs/dbraw/zinc/18/87/90/566188790.db2.gz RUPGLLPVFXRWQU-AWEZNQCLSA-N 0 2 398.278 3.374 10 0 GGAELN COCc1cc(Cl)cc(S(=O)(=O)Nc2ncn(C3CCCCC3)n2)c1 ZINC000290882346 566193464 /nfs/dbraw/zinc/19/34/64/566193464.db2.gz CBTSUSFIENHJFR-UHFFFAOYSA-N 0 2 384.889 3.384 10 0 GGAELN CN1CC[NH+](CC2CC[NH+](Cc3ccc(Br)c(F)c3)CC2)CC1 ZINC000367669043 566211135 /nfs/dbraw/zinc/21/11/35/566211135.db2.gz KFLDNLMGOMAJIO-UHFFFAOYSA-N 0 2 384.337 3.048 10 0 GGAELN CC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ncn(C3CCCCC3)n2)c1 ZINC000182566116 566211835 /nfs/dbraw/zinc/21/18/35/566211835.db2.gz WZPXZBCWPJPLCT-UHFFFAOYSA-N 0 2 382.873 3.440 10 0 GGAELN O=S(=O)(Nc1cc(C(F)(F)F)ccn1)c1cc2c(cc1Cl)OCCO2 ZINC000182949635 566231886 /nfs/dbraw/zinc/23/18/86/566231886.db2.gz FTFMYZFOCPQZIH-UHFFFAOYSA-N 0 2 394.758 3.326 10 0 GGAELN COc1cc(Br)c(F)cc1S(=O)(=O)Nc1cc(O)cc(F)c1 ZINC000183095051 566238136 /nfs/dbraw/zinc/23/81/36/566238136.db2.gz IVZADPIVMAYXQP-UHFFFAOYSA-N 0 2 394.193 3.242 10 0 GGAELN O=S(=O)(Nc1nnc(-c2cccs2)o1)c1cc2c(cc1Cl)OCCO2 ZINC000481866257 566257491 /nfs/dbraw/zinc/25/74/91/566257491.db2.gz WORFJTMPCFKRCK-UHFFFAOYSA-N 0 2 399.837 3.024 10 0 GGAELN CCc1ccc(S(=O)(=O)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)nc2)s1 ZINC000481859038 566257944 /nfs/dbraw/zinc/25/79/44/566257944.db2.gz NUAMVSVRGSEROD-BETUJISGSA-N 0 2 381.523 3.120 10 0 GGAELN CN(C)c1ccc(NS(=O)(=O)c2cccc(Br)c2Cl)nc1 ZINC000556176252 566274099 /nfs/dbraw/zinc/27/40/99/566274099.db2.gz SPIDQDUUIRUTMH-UHFFFAOYSA-N 0 2 390.690 3.364 10 0 GGAELN O=S(=O)(Nc1noc(C2CC2)n1)c1cccc(Br)c1Cl ZINC000556197585 566274329 /nfs/dbraw/zinc/27/43/29/566274329.db2.gz QCYRFZBPWFDFSE-UHFFFAOYSA-N 0 2 378.635 3.164 10 0 GGAELN COc1c(C)cc(C)cc1S(=O)(=O)Nc1nnc(CC(F)(F)F)s1 ZINC000509199767 566274736 /nfs/dbraw/zinc/27/47/36/566274736.db2.gz YUBBYVZUPFIZPV-UHFFFAOYSA-N 0 2 381.401 3.069 10 0 GGAELN CN(C)c1ccc(NS(=O)(=O)c2c(Cl)cccc2Br)nc1 ZINC000509202115 566274873 /nfs/dbraw/zinc/27/48/73/566274873.db2.gz HRNUAZGYDYZXNN-UHFFFAOYSA-N 0 2 390.690 3.364 10 0 GGAELN COc1c(C)cc(C)cc1S(=O)(=O)Nc1nc(-c2ccccc2)ns1 ZINC000509204882 566276458 /nfs/dbraw/zinc/27/64/58/566276458.db2.gz FYBTYNTWRXVMCL-UHFFFAOYSA-N 0 2 375.475 3.053 10 0 GGAELN O=S(=O)(Nc1nnc(C2CCOCC2)s1)c1cccc2ccccc21 ZINC000556263245 566280165 /nfs/dbraw/zinc/28/01/65/566280165.db2.gz VGXOYOGRAAWQTQ-UHFFFAOYSA-N 0 2 375.475 3.386 10 0 GGAELN COCc1ccccc1CS(=O)(=O)Nc1ncc(C2CCOCC2)s1 ZINC000556265241 566280272 /nfs/dbraw/zinc/28/02/72/566280272.db2.gz CRCMJEGROOGNGV-UHFFFAOYSA-N 0 2 382.507 3.125 10 0 GGAELN O=C(COc1ccc(Cl)c(Cl)c1)N=c1nc(-c2cccnc2)[nH]s1 ZINC000535173367 566284238 /nfs/dbraw/zinc/28/42/38/566284238.db2.gz KIBAUMMKUQQUKL-UHFFFAOYSA-N 0 2 381.244 3.346 10 0 GGAELN CC(C)Oc1ccc(NS(=O)(=O)c2cnn(CC(F)F)c2)cc1Cl ZINC000556346975 566287561 /nfs/dbraw/zinc/28/75/61/566287561.db2.gz DPMJMAVKMUEYBM-UHFFFAOYSA-N 0 2 379.816 3.390 10 0 GGAELN CCc1ccc(S(=O)(=O)Nc2cnn(Cc3ccc(OC)cc3)c2)s1 ZINC000556349973 566288251 /nfs/dbraw/zinc/28/82/51/566288251.db2.gz QCLRYTLLMALACX-UHFFFAOYSA-N 0 2 377.491 3.365 10 0 GGAELN CO[C@H](C)CS(=O)(=O)Nc1cc(C)n(-c2ccc(Cl)c(Cl)c2)n1 ZINC000509372613 566294237 /nfs/dbraw/zinc/29/42/37/566294237.db2.gz AQTQYIOABXADGN-SNVBAGLBSA-N 0 2 378.281 3.264 10 0 GGAELN Cc1ccc2c(c1C)OC[C@@H]2NS(=O)(=O)c1c(F)c(F)cc(F)c1F ZINC000509362216 566294587 /nfs/dbraw/zinc/29/45/87/566294587.db2.gz UHLQSQDKMNJATH-LBPRGKRZSA-N 0 2 375.343 3.272 10 0 GGAELN O=S(=O)(Nc1cnn(C(F)F)c1)c1c(Cl)cccc1Br ZINC000509388617 566298834 /nfs/dbraw/zinc/29/88/34/566298834.db2.gz YXPCYHVMPZOOOI-UHFFFAOYSA-N 0 2 386.605 3.495 10 0 GGAELN C[C@H]1CCCc2nc(S(=O)(=O)Nc3ncc(-c4ccccn4)s3)cn21 ZINC000575971658 566303217 /nfs/dbraw/zinc/30/32/17/566303217.db2.gz LTUNDOAZFPVVTH-NSHDSACASA-N 0 2 375.479 3.100 10 0 GGAELN COc1cc(Cl)c(C)cc1NC(=O)CCNc1nc([C@@H](C)OC)ns1 ZINC000509536395 566314808 /nfs/dbraw/zinc/31/48/08/566314808.db2.gz CLMPRKDMCVJXMH-SNVBAGLBSA-N 0 2 384.889 3.079 10 0 GGAELN COC(=O)c1ccc(S(=O)(=O)Nc2cnc(C(C)(C)C)nc2)c(Cl)c1 ZINC000509585331 566317038 /nfs/dbraw/zinc/31/70/38/566317038.db2.gz FICLGGKHLVYFNG-UHFFFAOYSA-N 0 2 383.857 3.015 10 0 GGAELN CO[C@@H](C)c1nsc(NCCc2cn3cc(Br)cc(C)c3n2)n1 ZINC000509600989 566319292 /nfs/dbraw/zinc/31/92/92/566319292.db2.gz NQNROVWLTQCONY-JTQLQIEISA-N 0 2 396.314 3.041 10 0 GGAELN COc1cc(Br)ccc1CCCNc1nc([C@H](C)OC)ns1 ZINC000509620569 566321561 /nfs/dbraw/zinc/32/15/61/566321561.db2.gz RCLOKAXDOAYIHG-JTQLQIEISA-N 0 2 386.315 3.483 10 0 GGAELN Cc1sc(NC(=O)CSc2n[nH]c(=O)[nH]2)nc1-c1ccc(Cl)cc1 ZINC000446076182 566327001 /nfs/dbraw/zinc/32/70/01/566327001.db2.gz FNUXVUXYSLJQPP-UHFFFAOYSA-N 0 2 381.870 3.326 10 0 GGAELN CO[C@@H](C)c1nsc(NC[C@H]2CCN(c3cccc(Br)c3)C2)n1 ZINC000509681888 566328409 /nfs/dbraw/zinc/32/84/09/566328409.db2.gz WDCGCORBKZTNHV-NWDGAFQWSA-N 0 2 397.342 3.368 10 0 GGAELN CO[C@H](C)c1nsc(NC[C@@H]2CCN(c3ccc(Br)cc3)C2)n1 ZINC000509683589 566329577 /nfs/dbraw/zinc/32/95/77/566329577.db2.gz TYYGYEPYECUMIH-NEPJUHHUSA-N 0 2 397.342 3.368 10 0 GGAELN CO[C@H](C)c1nsc(NC[C@H]2CCN(c3ccc(Br)cc3)C2)n1 ZINC000509683593 566329818 /nfs/dbraw/zinc/32/98/18/566329818.db2.gz TYYGYEPYECUMIH-VXGBXAGGSA-N 0 2 397.342 3.368 10 0 GGAELN COC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1cc(Cl)cc(C)c1OC ZINC000600663165 566355403 /nfs/dbraw/zinc/35/54/03/566355403.db2.gz XGFHUXJZAYRMRH-UHFFFAOYSA-N 0 2 387.841 3.454 10 0 GGAELN COC(=O)[C@H](C)Oc1ccc(NS(=O)(=O)c2sc(C)cc2C)cc1F ZINC000600663039 566355477 /nfs/dbraw/zinc/35/54/77/566355477.db2.gz TYQOJEDAQLLMFP-NSHDSACASA-N 0 2 387.454 3.245 10 0 GGAELN CCCOc1cncc(NS(=O)(=O)c2ccc(C(=O)OC)c(Cl)c2)c1 ZINC000600670494 566356929 /nfs/dbraw/zinc/35/69/29/566356929.db2.gz XZKYBPUXGJEYMH-UHFFFAOYSA-N 0 2 384.841 3.111 10 0 GGAELN CCn1nc(C)cc1NS(=O)(=O)c1c2ccccc2sc1C(=O)OC ZINC000600670295 566357375 /nfs/dbraw/zinc/35/73/75/566357375.db2.gz RGJQORTVFWFBGN-UHFFFAOYSA-N 0 2 379.463 3.014 10 0 GGAELN CCCOc1cncc(NS(=O)(=O)c2cc(Cl)ccc2C(=O)OC)c1 ZINC000600669759 566357788 /nfs/dbraw/zinc/35/77/88/566357788.db2.gz CTIGWITYGPJALL-UHFFFAOYSA-N 0 2 384.841 3.111 10 0 GGAELN CC(C)(C)n1cnc(NS(=O)(=O)c2cc(Cl)ccc2OC(F)F)n1 ZINC000421239820 566358705 /nfs/dbraw/zinc/35/87/05/566358705.db2.gz UYXQZJGELGSPQM-UHFFFAOYSA-N 0 2 380.804 3.089 10 0 GGAELN COC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1ccc(SC)cc1OC ZINC000446638619 566359835 /nfs/dbraw/zinc/35/98/35/566359835.db2.gz PXXQJSBJHIPZAY-UHFFFAOYSA-N 0 2 385.463 3.214 10 0 GGAELN O=C(c1cc(Br)c(F)cc1O)N1CC[C@H](Cc2ccncc2)C1 ZINC000649368768 566362857 /nfs/dbraw/zinc/36/28/57/566362857.db2.gz VYHIJDSFVVARPX-GFCCVEGCSA-N 0 2 379.229 3.394 10 0 GGAELN O=C(N[C@H]1CC12CCCC2)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000576621460 566363598 /nfs/dbraw/zinc/36/35/98/566363598.db2.gz XLTKQVQXALSBHH-AWEZNQCLSA-N 0 2 377.491 3.006 10 0 GGAELN CC[C@H](c1ccc(Br)cc1)[NH+]1CCN(C(=O)C(C)(C)C(=O)[O-])CC1 ZINC000649465028 566366672 /nfs/dbraw/zinc/36/66/72/566366672.db2.gz IBLPXPUOMRPFAE-OAHLLOKOSA-N 0 2 397.313 3.155 10 0 GGAELN COc1ccc(S(=O)(=O)Nc2ccc(OC(C)C)nn2)c(Cl)c1Cl ZINC000446951206 566373506 /nfs/dbraw/zinc/37/35/06/566373506.db2.gz FAQMGYUIAVDFDF-UHFFFAOYSA-N 0 2 392.264 3.380 10 0 GGAELN CC[C@@H](NS(=O)(=O)c1c(F)c(F)cc(F)c1F)c1c(C)nn(C)c1C ZINC000510336852 566376094 /nfs/dbraw/zinc/37/60/94/566376094.db2.gz NWOGZEPUPOTUTB-LLVKDONJSA-N 0 2 379.379 3.023 10 0 GGAELN CO[C@@H](CS(=O)(=O)Nc1cc(Cl)ccc1OCC(F)(F)F)C1CC1 ZINC000576822580 566381855 /nfs/dbraw/zinc/38/18/55/566381855.db2.gz KVLPALKMDOHLIT-ZDUSSCGKSA-N 0 2 387.807 3.448 10 0 GGAELN CNC(=O)c1cc(Cl)c(C)c(S(=O)(=O)Nc2scnc2C2CC2)c1 ZINC000576842511 566383037 /nfs/dbraw/zinc/38/30/37/566383037.db2.gz MUHSKWXSVDLJHV-UHFFFAOYSA-N 0 2 385.898 3.143 10 0 GGAELN O=S(=O)(NCC1(C(F)(F)F)CC1)c1cc(F)c(Br)cc1F ZINC000510558623 566395334 /nfs/dbraw/zinc/39/53/34/566395334.db2.gz KBOGZWVZMNOKDK-UHFFFAOYSA-N 0 2 394.159 3.348 10 0 GGAELN COC(=O)c1nscc1S(=O)(=O)Nc1ccc(OC(C)C)c(Cl)c1 ZINC000447337258 566404186 /nfs/dbraw/zinc/40/41/86/566404186.db2.gz FBNJHFFDLFDNGZ-UHFFFAOYSA-N 0 2 390.870 3.171 10 0 GGAELN NC(=O)COc1ccc(Cl)cc1S(=O)(=O)Nc1csc2ccccc12 ZINC000484060200 566414518 /nfs/dbraw/zinc/41/45/18/566414518.db2.gz KUXTUBNMHRAQKB-UHFFFAOYSA-N 0 2 396.877 3.220 10 0 GGAELN COCCOc1ncccc1NS(=O)(=O)c1ccc(SC)c(Cl)c1 ZINC000463532976 566416688 /nfs/dbraw/zinc/41/66/88/566416688.db2.gz PQHITFUNWSXUDY-UHFFFAOYSA-N 0 2 388.898 3.283 10 0 GGAELN COCCOc1cc(NS(=O)(=O)c2c(F)cccc2Cl)ccc1OC ZINC000463525295 566416858 /nfs/dbraw/zinc/41/68/58/566416858.db2.gz UVQIAQGQDOOXLK-UHFFFAOYSA-N 0 2 389.832 3.314 10 0 GGAELN Cc1ccc(Cl)c(S(=O)(=O)Nc2ccc3n[nH]c(C(N)=O)c3c2)c1Cl ZINC000537029766 566418479 /nfs/dbraw/zinc/41/84/79/566418479.db2.gz LXHFJAUDEKYGEE-UHFFFAOYSA-N 0 2 399.259 3.078 10 0 GGAELN COC(=O)[C@@H]1CCc2sc(NC(=O)c3cc(F)c(O)c(Cl)c3)nc2C1 ZINC000421959144 566420755 /nfs/dbraw/zinc/42/07/55/566420755.db2.gz IREBOUISINBRML-SSDOTTSWSA-N 0 2 384.816 3.171 10 0 GGAELN O=C(c1cc(S(=O)(=O)Nc2csc3ccccc23)c[nH]1)N1CCCC1 ZINC000484253133 566421463 /nfs/dbraw/zinc/42/14/63/566421463.db2.gz IJTOMJJLHLLXCR-UHFFFAOYSA-N 0 2 375.475 3.266 10 0 GGAELN Cc1nc(=NC(=O)N2CCC[C@@H]2c2ccc(Br)cc2Cl)[nH]n1C ZINC000626571907 566424431 /nfs/dbraw/zinc/42/44/31/566424431.db2.gz KTJSACYAXKHMNO-CYBMUJFWSA-N 0 2 398.692 3.330 10 0 GGAELN Cc1nc(=NC(=O)N[C@H]2CCCSc3ccc(Br)cc32)[nH]n1C ZINC000626572150 566424985 /nfs/dbraw/zinc/42/49/85/566424985.db2.gz YLURCNHTXDJRJU-LBPRGKRZSA-N 0 2 396.314 3.057 10 0 GGAELN Cc1cc(Br)cc(C)c1S(=O)(=O)Nc1cnn(C(F)F)c1 ZINC000463782994 566432890 /nfs/dbraw/zinc/43/28/90/566432890.db2.gz OONIHDPMRLLUKP-UHFFFAOYSA-N 0 2 380.214 3.458 10 0 GGAELN CCOC(=O)COc1ccc(NS(=O)(=O)c2c(F)cccc2Cl)cc1 ZINC000463790612 566435087 /nfs/dbraw/zinc/43/50/87/566435087.db2.gz RDXSYIPNCMTWCX-UHFFFAOYSA-N 0 2 387.816 3.222 10 0 GGAELN O=C(CCOCC1CC1)N=c1ccc(-c2ccc(Br)s2)n[nH]1 ZINC000484576986 566437775 /nfs/dbraw/zinc/43/77/75/566437775.db2.gz RLKIKDPUZISMBO-UHFFFAOYSA-N 0 2 382.283 3.145 10 0 GGAELN COCc1cc(Cl)ccc1NS(=O)(=O)c1cccc2c1OCCCO2 ZINC000650206701 566438013 /nfs/dbraw/zinc/43/80/13/566438013.db2.gz ITKJCQLOYDJCOV-UHFFFAOYSA-N 0 2 383.853 3.449 10 0 GGAELN C[C@H]1CO[C@@H](C(F)(F)F)CN1C(=O)c1cc(Br)c(F)cc1O ZINC000650221075 566439212 /nfs/dbraw/zinc/43/92/12/566439212.db2.gz FAMBIXXYOZRIPK-UPONEAKYSA-N 0 2 386.139 3.086 10 0 GGAELN Cc1cc(NS(=O)(=O)C[C@@H]2CCCO2)nn1-c1ccc(Cl)c(Cl)c1 ZINC000537393445 566443745 /nfs/dbraw/zinc/44/37/45/566443745.db2.gz CMZPSMBBQZBPEF-LBPRGKRZSA-N 0 2 390.292 3.408 10 0 GGAELN COCCN(Cc1cccs1)C(=O)N=c1nc(-c2ccsc2)[nH]s1 ZINC000447998003 566451865 /nfs/dbraw/zinc/45/18/65/566451865.db2.gz DWJPQYGOLQFRDE-UHFFFAOYSA-N 0 2 380.520 3.431 10 0 GGAELN COCCOc1ccc(NC(=O)N=c2nc(-c3ccsc3)[nH]s2)cc1 ZINC000447986984 566452316 /nfs/dbraw/zinc/45/23/16/566452316.db2.gz CMSDFAQRRAMANQ-UHFFFAOYSA-N 0 2 376.463 3.358 10 0 GGAELN COCc1ccccc1CS(=O)(=O)Nc1nnc(-c2ccsc2)s1 ZINC000577654320 566453678 /nfs/dbraw/zinc/45/36/78/566453678.db2.gz SSDMEQRKQKZHNF-UHFFFAOYSA-N 0 2 381.504 3.355 10 0 GGAELN COc1ccc(CNC(=O)N=c2nc(-c3ccsc3)[nH]s2)c(OC)c1 ZINC000448003397 566453925 /nfs/dbraw/zinc/45/39/25/566453925.db2.gz HIMQWIKOQWUECO-UHFFFAOYSA-N 0 2 376.463 3.027 10 0 GGAELN COCC[C@@H](NC(=O)N=c1nc(-c2ccsc2)[nH]s1)c1ccc(C)o1 ZINC000447999337 566454277 /nfs/dbraw/zinc/45/42/77/566454277.db2.gz MBEXRSPTUZRPOP-GFCCVEGCSA-N 0 2 378.479 3.489 10 0 GGAELN O=C(c1c(O)cc(F)cc1F)N1CCN(c2cccc(Br)c2)CC1 ZINC000671915319 566458467 /nfs/dbraw/zinc/45/84/67/566458467.db2.gz ILYCIPTZTWPSIA-UHFFFAOYSA-N 0 2 397.219 3.395 10 0 GGAELN CC(C)n1cnc(NS(=O)(=O)c2ccc(Br)c(Cl)c2)n1 ZINC000650488157 566460421 /nfs/dbraw/zinc/46/04/21/566460421.db2.gz ZWZAWABEUDIXOA-UHFFFAOYSA-N 0 2 379.667 3.076 10 0 GGAELN CC(C)c1cccc(S(=O)(=O)Nc2nc3c(s2)C(=O)NC(C)(C)C3)c1 ZINC000650494918 566460905 /nfs/dbraw/zinc/46/09/05/566460905.db2.gz XXNMOXXLCPHGHU-UHFFFAOYSA-N 0 2 379.507 3.132 10 0 GGAELN CC1(C)Cc2nc(NS(=O)(=O)c3csc4ccccc43)sc2C(=O)N1 ZINC000650494824 566461111 /nfs/dbraw/zinc/46/11/11/566461111.db2.gz UMFCVRIXIKMYBR-UHFFFAOYSA-N 0 2 393.515 3.223 10 0 GGAELN CC[C@@H](C(=O)[O-])[N@H+](C)CC(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000650515105 566461274 /nfs/dbraw/zinc/46/12/74/566461274.db2.gz IWKAHXXQQSBENU-NSHDSACASA-N 0 2 397.191 3.201 10 0 GGAELN CC[C@@H](C(=O)[O-])[N@@H+](C)CC(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000650515105 566461276 /nfs/dbraw/zinc/46/12/76/566461276.db2.gz IWKAHXXQQSBENU-NSHDSACASA-N 0 2 397.191 3.201 10 0 GGAELN O=C(c1cc2cc(Br)ccc2o1)N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000537731388 566466156 /nfs/dbraw/zinc/46/61/56/566466156.db2.gz XEIQLSNEWVTUPY-UHFFFAOYSA-N 0 2 391.225 3.039 10 0 GGAELN CC(C)(NC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1)C1CCC1 ZINC000577821908 566466936 /nfs/dbraw/zinc/46/69/36/566466936.db2.gz WLYPLJWUQJEMJL-UHFFFAOYSA-N 0 2 379.507 3.252 10 0 GGAELN FC(F)(F)c1cc(Br)ccc1C[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000423020659 566468609 /nfs/dbraw/zinc/46/86/09/566468609.db2.gz CMWHWLLVDVIQRX-CABCVRRESA-N 0 2 393.247 3.325 10 0 GGAELN O=S(=O)(Nc1cc2c(cn1)CCCC2)c1cc2c(cc1Cl)OCCO2 ZINC000577911081 566475602 /nfs/dbraw/zinc/47/56/02/566475602.db2.gz KFRSLLGOKIUTIG-UHFFFAOYSA-N 0 2 380.853 3.186 10 0 GGAELN CCOc1ccc(NS(=O)(=O)c2cc(C)cnc2N)c(C(F)(F)F)c1 ZINC000538009803 566485572 /nfs/dbraw/zinc/48/55/72/566485572.db2.gz JKHXRJGCNLCYJR-UHFFFAOYSA-N 0 2 375.372 3.191 10 0 GGAELN O=C(N[C@H]1CCCC1(F)F)c1cccc(NS(=O)(=O)c2cccs2)c1 ZINC000672495095 566493362 /nfs/dbraw/zinc/49/33/62/566493362.db2.gz WXNIBNMZSWFYCK-ZDUSSCGKSA-N 0 2 386.445 3.467 10 0 GGAELN Cn1ncc(Cl)c1S(=O)(=O)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000485393640 566493377 /nfs/dbraw/zinc/49/33/77/566493377.db2.gz BOBNJIYVRQCNHG-UHFFFAOYSA-N 0 2 396.881 3.188 10 0 GGAELN CCOc1cc(Br)ccc1NS(=O)(=O)c1c(Cl)cnn1C ZINC000485393055 566493788 /nfs/dbraw/zinc/49/37/88/566493788.db2.gz YFEBRDISVIKNNL-UHFFFAOYSA-N 0 2 394.678 3.036 10 0 GGAELN Cc1ccc(NS(=O)(=O)c2c(Cl)cnn2C)cc1NC(=O)C(C)(C)C ZINC000485390004 566493955 /nfs/dbraw/zinc/49/39/55/566493955.db2.gz PVQKOIJCEBOVNV-UHFFFAOYSA-N 0 2 384.889 3.167 10 0 GGAELN Cn1ncc(Cl)c1S(=O)(=O)Nc1cc(Cc2ccccc2)ccc1O ZINC000485412217 566497164 /nfs/dbraw/zinc/49/71/64/566497164.db2.gz WPJXDJVVJHJMGS-UHFFFAOYSA-N 0 2 377.853 3.171 10 0 GGAELN O=C(NC1CCN(CC(F)(F)F)CC1)c1cc(Br)c(F)cc1O ZINC000448808306 566500156 /nfs/dbraw/zinc/50/01/56/566500156.db2.gz DHGWWXHMYPVMOE-UHFFFAOYSA-N 0 2 399.182 3.050 10 0 GGAELN COCn1nc(C)c(S(=O)(=O)Nc2cccc(CC(F)(F)F)c2)c1C ZINC000424059179 566506344 /nfs/dbraw/zinc/50/63/44/566506344.db2.gz FNDFUMJRHKHYMC-UHFFFAOYSA-N 0 2 377.388 3.009 10 0 GGAELN COCn1nc(C)c(S(=O)(=O)Nc2ccc(CC(F)(F)F)cc2)c1C ZINC000424061236 566506515 /nfs/dbraw/zinc/50/65/15/566506515.db2.gz IKHPCFDKXWCSAH-UHFFFAOYSA-N 0 2 377.388 3.009 10 0 GGAELN COCn1nc(C)c(S(=O)(=O)Nc2ccc(SC)c(Cl)c2)c1C ZINC000424066736 566507477 /nfs/dbraw/zinc/50/74/77/566507477.db2.gz UOSNFDWDUJOOKR-UHFFFAOYSA-N 0 2 375.903 3.280 10 0 GGAELN COCn1nc(C)c(S(=O)(=O)Nc2cccc(C(F)(F)F)c2C)c1C ZINC000424064051 566507882 /nfs/dbraw/zinc/50/78/82/566507882.db2.gz NVYLNMCHOKIRMP-UHFFFAOYSA-N 0 2 377.388 3.232 10 0 GGAELN CCN(Cc1ccccc1Br)C(=O)N=c1ncn(C(C)(C)C)[nH]1 ZINC000578279820 566508357 /nfs/dbraw/zinc/50/83/57/566508357.db2.gz BPWXZYHFPMSDIV-UHFFFAOYSA-N 0 2 380.290 3.272 10 0 GGAELN O=S(=O)(Nc1ccc(C(F)(F)F)nn1)c1ccc(OC(F)(F)F)cc1 ZINC000578411218 566519365 /nfs/dbraw/zinc/51/93/65/566519365.db2.gz CBAAHRRARIVIEZ-UHFFFAOYSA-N 0 2 387.261 3.195 10 0 GGAELN COc1cccc(-c2nsc(NS(=O)(=O)c3ccc(C)c(Cl)c3)n2)c1 ZINC000512344673 566528061 /nfs/dbraw/zinc/52/80/61/566528061.db2.gz YKPFFZNLHJDHJD-UHFFFAOYSA-N 0 2 395.893 3.398 10 0 GGAELN COc1cccc(-c2nsc(NS(=O)(=O)c3ccc(SC)cc3)n2)c1 ZINC000512363088 566529775 /nfs/dbraw/zinc/52/97/75/566529775.db2.gz PGIZCUBRZAFLDL-UHFFFAOYSA-N 0 2 393.515 3.158 10 0 GGAELN O=S(=O)(Nc1ccc2c(c1)CCO2)c1c(F)cccc1OC(F)(F)F ZINC000578547301 566532598 /nfs/dbraw/zinc/53/25/98/566532598.db2.gz HVHVTBBYAXAYRD-UHFFFAOYSA-N 0 2 377.315 3.460 10 0 GGAELN O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)[C@@H]1C[C@H]1C(F)(F)F ZINC000449228691 566539127 /nfs/dbraw/zinc/53/91/27/566539127.db2.gz UTAKLRUKJYLINZ-GHMZBOCLSA-N 0 2 391.396 3.081 10 0 GGAELN CCOc1cccc(NS(=O)(=O)c2cc(Br)ccc2OC)n1 ZINC000673897971 566565352 /nfs/dbraw/zinc/56/53/52/566565352.db2.gz SMDFUEDAGCURMH-UHFFFAOYSA-N 0 2 387.255 3.052 10 0 GGAELN CCc1ccc2nc(NS(=O)(=O)c3ccc(CNC(C)=O)s3)sc2c1 ZINC000559752820 566568484 /nfs/dbraw/zinc/56/84/84/566568484.db2.gz VAVBFLYKKYPDGL-UHFFFAOYSA-N 0 2 395.531 3.357 10 0 GGAELN CCc1nnc(NS(=O)(=O)c2cccc(Br)c2Cl)s1 ZINC000559840786 566570571 /nfs/dbraw/zinc/57/05/71/566570571.db2.gz MJNBQVDKQIFGFV-UHFFFAOYSA-N 0 2 382.692 3.317 10 0 GGAELN Cc1nn(C)c(C)c1NS(=O)(=O)c1cccc(Br)c1Cl ZINC000560007944 566585610 /nfs/dbraw/zinc/58/56/10/566585610.db2.gz XYUFMJQDILDZKY-UHFFFAOYSA-N 0 2 378.679 3.254 10 0 GGAELN O=C([O-])c1sc2ccsc2c1CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000652060292 566587139 /nfs/dbraw/zinc/58/71/39/566587139.db2.gz HGOIKAYJQMTPAU-UHFFFAOYSA-N 0 2 375.475 3.053 10 0 GGAELN O=C(Nc1nc(-c2ccccc2Br)n[nH]1)c1c[nH]nc1-c1ccoc1 ZINC000579194079 566588014 /nfs/dbraw/zinc/58/80/14/566588014.db2.gz VJNAWLSSPAWRTP-UHFFFAOYSA-N 0 2 399.208 3.470 10 0 GGAELN COc1ccc(S(=O)(=O)Nc2cc(-c3ccsc3)nn2C)c(C)c1F ZINC000486555733 566597511 /nfs/dbraw/zinc/59/75/11/566597511.db2.gz BIBZZVCZXAJAMO-UHFFFAOYSA-N 0 2 381.454 3.406 10 0 GGAELN O=S(=O)(Nc1nc2cc(F)ccc2[nH]1)c1cccc(OC(F)(F)F)c1 ZINC000486574507 566600623 /nfs/dbraw/zinc/60/06/23/566600623.db2.gz WKSVLQAWAYWNEI-UHFFFAOYSA-N 0 2 375.303 3.401 10 0 GGAELN Cn1cc(-c2ccnc(NS(=O)(=O)Cc3ccc(Cl)cc3Cl)n2)cn1 ZINC000486576223 566601126 /nfs/dbraw/zinc/60/11/26/566601126.db2.gz PRDOHYAQHNITEO-UHFFFAOYSA-N 0 2 398.275 3.126 10 0 GGAELN O=C(c1cccc(NS(=O)(=O)c2cccs2)c1)N1CC(CC(F)F)C1 ZINC000425089411 566603851 /nfs/dbraw/zinc/60/38/51/566603851.db2.gz XPEDHPLJGZBCDM-UHFFFAOYSA-N 0 2 386.445 3.276 10 0 GGAELN Cc1cc(C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)c(C)[nH]1 ZINC000674722657 566606156 /nfs/dbraw/zinc/60/61/56/566606156.db2.gz CYUDCJYTAUHXKP-UHFFFAOYSA-N 0 2 376.463 3.141 10 0 GGAELN O=C([C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl)N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000539925003 566614188 /nfs/dbraw/zinc/61/41/88/566614188.db2.gz OPBALOLDYKCPER-CHWSQXEVSA-N 0 2 381.263 3.327 10 0 GGAELN O=C([C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1)N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000539928755 566615871 /nfs/dbraw/zinc/61/58/71/566615871.db2.gz GHPGEQKCHOJLAB-KBPBESRZSA-N 0 2 381.263 3.327 10 0 GGAELN Cc1ccc([C@@H]2COCCN2C(=O)c2cc(Br)c(F)cc2O)o1 ZINC000449922593 566616603 /nfs/dbraw/zinc/61/66/03/566616603.db2.gz MNSNQEKPEDTMTH-ZDUSSCGKSA-N 0 2 384.201 3.409 10 0 GGAELN CN1C(=O)C[C@H](C(=O)Nc2cc(Cl)cc(Cl)c2O)[C@@H]1c1cccnc1 ZINC000579535224 566617396 /nfs/dbraw/zinc/61/73/96/566617396.db2.gz DRDUNPDIWNEWKU-NHYWBVRUSA-N 0 2 380.231 3.252 10 0 GGAELN Cc1ccsc1-c1nc(=NC(=O)NCc2noc3c2CCCC3)s[nH]1 ZINC000579577484 566620251 /nfs/dbraw/zinc/62/02/51/566620251.db2.gz ZSGWRBBVFPEDRT-UHFFFAOYSA-N 0 2 375.479 3.185 10 0 GGAELN COC(=O)c1ccc(NS(=O)(=O)c2cccnc2C(F)(F)F)cc1Cl ZINC000579576754 566620878 /nfs/dbraw/zinc/62/08/78/566620878.db2.gz BPVACZNHBARWFA-UHFFFAOYSA-N 0 2 394.758 3.341 10 0 GGAELN COC(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2O)cc1Cl ZINC000513818208 566627073 /nfs/dbraw/zinc/62/70/73/566627073.db2.gz XWCDUGZEOKFLPN-UHFFFAOYSA-N 0 2 376.217 3.286 10 0 GGAELN CC(C)(C)OC(=O)[C@H]1CCN(C(=O)c2cc(Br)c(F)cc2O)C1 ZINC000450055465 566628903 /nfs/dbraw/zinc/62/89/03/566628903.db2.gz DMFNMRFDXUTLGK-VIFPVBQESA-N 0 2 388.233 3.098 10 0 GGAELN Cc1noc(C2CCC(NC(=O)c3cc(Br)c(F)cc3O)CC2)n1 ZINC000450072065 566629897 /nfs/dbraw/zinc/62/98/97/566629897.db2.gz GPUSYNXUCXFRRQ-UHFFFAOYSA-N 0 2 398.232 3.441 10 0 GGAELN CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)c2cc(Br)c(F)cc2O)C1 ZINC000450068981 566629959 /nfs/dbraw/zinc/62/99/59/566629959.db2.gz URBNDKVUBUNALO-FQOARCPFSA-N 0 2 392.290 3.103 10 0 GGAELN CCOc1cc(Br)ccc1NS(=O)(=O)C[C@H](OCC)C1CC1 ZINC000629288580 566634741 /nfs/dbraw/zinc/63/47/41/566634741.db2.gz CKBSVNVYFARYOV-HNNXBMFYSA-N 0 2 392.315 3.405 10 0 GGAELN CCOc1ccc(Br)cc1NS(=O)(=O)C[C@H](OCC)C1CC1 ZINC000629288318 566635901 /nfs/dbraw/zinc/63/59/01/566635901.db2.gz OXGQQBHOZYKPHK-HNNXBMFYSA-N 0 2 392.315 3.405 10 0 GGAELN CCCNc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1cnc(C)n1C ZINC000629289685 566637291 /nfs/dbraw/zinc/63/72/91/566637291.db2.gz MKQSJFYDUPSQFN-UHFFFAOYSA-N 0 2 376.404 3.370 10 0 GGAELN CSc1ccncc1NS(=O)(=O)c1cc2c(cc1Cl)N(C(C)=O)CC2 ZINC000629349647 566647506 /nfs/dbraw/zinc/64/75/06/566647506.db2.gz OTUVOOLOZQRWOB-UHFFFAOYSA-N 0 2 397.909 3.167 10 0 GGAELN COCc1csc(NS(=O)(=O)c2cc(F)c(Br)cc2C)n1 ZINC000629349649 566647671 /nfs/dbraw/zinc/64/76/71/566647671.db2.gz UKUWHTSFWUYKNS-UHFFFAOYSA-N 0 2 395.275 3.300 10 0 GGAELN CO[C@H](CS(=O)(=O)Nc1n[nH]c2c1cc(C)cc2Br)C(C)C ZINC000629353151 566649348 /nfs/dbraw/zinc/64/93/48/566649348.db2.gz LLUNKSSUSMNXAM-GFCCVEGCSA-N 0 2 390.303 3.047 10 0 GGAELN CCn1nc(C)cc1NS(=O)(=O)c1cc(F)c(Br)cc1C ZINC000629352578 566650020 /nfs/dbraw/zinc/65/00/20/566650020.db2.gz RWACWVNTZSZXNR-UHFFFAOYSA-N 0 2 376.251 3.222 10 0 GGAELN O=C([O-])[C@@H]1CC[N@H+](Cc2nc3ccc(Br)cc3[nH]2)[C@@H]2CCC[C@H]21 ZINC000629377213 566653144 /nfs/dbraw/zinc/65/31/44/566653144.db2.gz MBDIDLXGSPRCOE-YWPYICTPSA-N 0 2 378.270 3.401 10 0 GGAELN O=C([O-])[C@@H]1CC[N@@H+](Cc2nc3ccc(Br)cc3[nH]2)[C@@H]2CCC[C@H]21 ZINC000629377213 566653147 /nfs/dbraw/zinc/65/31/47/566653147.db2.gz MBDIDLXGSPRCOE-YWPYICTPSA-N 0 2 378.270 3.401 10 0 GGAELN CC[C@H](C)n1nc(NS(=O)(=O)c2ccc(C(=O)OC)c(Cl)c2)cc1C ZINC000540496968 566654921 /nfs/dbraw/zinc/65/49/21/566654921.db2.gz YOJHIAUHWGDXPN-JTQLQIEISA-N 0 2 385.873 3.403 10 0 GGAELN CC(C)(C)n1cnc(NS(=O)(=O)c2cccc(Br)c2Cl)n1 ZINC000514638936 566657884 /nfs/dbraw/zinc/65/78/84/566657884.db2.gz PJBLMYDQGHDBIA-UHFFFAOYSA-N 0 2 393.694 3.250 10 0 GGAELN CC(=O)Nc1cc(F)c(S(=O)(=O)NCc2ccc(Cl)o2)c(F)c1Cl ZINC000608018658 566690829 /nfs/dbraw/zinc/69/08/29/566690829.db2.gz GQRLBKSHMKMAJJ-UHFFFAOYSA-N 0 2 399.202 3.302 10 0 GGAELN COC(=O)Cc1ccc(S(=O)(=O)Nc2nc3c(cccc3Cl)s2)cc1 ZINC000515106957 566692792 /nfs/dbraw/zinc/69/27/92/566692792.db2.gz LVDYGIIPEQIUIN-UHFFFAOYSA-N 0 2 396.877 3.466 10 0 GGAELN Cc1cc(Br)ccc1S(=O)(=O)Nc1cc([C@@H]2CCCO2)[nH]n1 ZINC000515345318 566707303 /nfs/dbraw/zinc/70/73/03/566707303.db2.gz VDHOCEVIOJZLAM-LBPRGKRZSA-N 0 2 386.271 3.133 10 0 GGAELN COC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1ccc(C(C)=O)c(Cl)c1 ZINC000580595602 566707671 /nfs/dbraw/zinc/70/76/71/566707671.db2.gz OGMHZGUZWTURGJ-UHFFFAOYSA-N 0 2 385.825 3.340 10 0 GGAELN COc1cc(OC)c(S(=O)(=O)Nc2ccc(Cl)c(F)c2)c(OC)c1 ZINC000488250367 566717631 /nfs/dbraw/zinc/71/76/31/566717631.db2.gz GOIAZTPSZZZHSF-UHFFFAOYSA-N 0 2 375.805 3.306 10 0 GGAELN CCNS(=O)(=O)c1ccccc1S(=O)(=O)Nc1csc2ccccc12 ZINC000488264766 566718072 /nfs/dbraw/zinc/71/80/72/566718072.db2.gz ORXNNZSIOUPKAL-UHFFFAOYSA-N 0 2 396.515 3.000 10 0 GGAELN COc1cc(OC)c(S(=O)(=O)Nc2cc(F)cc(Cl)c2O)c(OC)c1 ZINC000488295541 566719151 /nfs/dbraw/zinc/71/91/51/566719151.db2.gz NDCCBMFHKPDXPH-UHFFFAOYSA-N 0 2 391.804 3.011 10 0 GGAELN O=C([O-])c1csc(C[NH2+]Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)n1 ZINC000426674224 566723728 /nfs/dbraw/zinc/72/37/28/566723728.db2.gz JLRXQSJUEGMYLI-ZDUSSCGKSA-N 0 2 382.869 3.342 10 0 GGAELN CCCc1nnc(NS(=O)(=O)c2cc(OC)cc(C(F)(F)F)c2)s1 ZINC000450969714 566725722 /nfs/dbraw/zinc/72/57/22/566725722.db2.gz CMCYAERALNUXOG-UHFFFAOYSA-N 0 2 381.401 3.319 10 0 GGAELN O=C([O-])[C@@H](CN1CCCc2ccccc21)[NH2+]Cc1ccc(Br)o1 ZINC000426758180 566726500 /nfs/dbraw/zinc/72/65/00/566726500.db2.gz RNYURVSHRIOGSN-CQSZACIVSA-N 0 2 379.254 3.038 10 0 GGAELN COc1cc(C(F)(F)F)cc(S(=O)(=O)Nc2cc(C(F)(F)F)[nH]n2)c1 ZINC000450983302 566728684 /nfs/dbraw/zinc/72/86/84/566728684.db2.gz PTMZEDVUKCEARL-UHFFFAOYSA-N 0 2 389.277 3.257 10 0 GGAELN CC(C)(C)n1cnc(=NC(=O)NCCc2nc3cc(Cl)ccc3s2)[nH]1 ZINC000541506775 566729611 /nfs/dbraw/zinc/72/96/11/566729611.db2.gz ASQYEPDDOMWVBB-UHFFFAOYSA-N 0 2 378.889 3.082 10 0 GGAELN CCc1cc(NS(=O)(=O)c2cc(OC)cc(C(F)(F)F)c2)nc(C)n1 ZINC000450992155 566730362 /nfs/dbraw/zinc/73/03/62/566730362.db2.gz OVGZERWMJXTTDY-UHFFFAOYSA-N 0 2 375.372 3.176 10 0 GGAELN CCCc1cc(NS(=O)(=O)c2cc(OC)cc(C(F)(F)F)c2)n(C)n1 ZINC000450992243 566730484 /nfs/dbraw/zinc/73/04/84/566730484.db2.gz MCHLPMRXHHPNKD-UHFFFAOYSA-N 0 2 377.388 3.201 10 0 GGAELN COc1cc(C(F)(F)F)cc(S(=O)(=O)Nc2noc(C(C)(C)C)n2)c1 ZINC000450992590 566730785 /nfs/dbraw/zinc/73/07/85/566730785.db2.gz QWQCQRUOOUSPDR-UHFFFAOYSA-N 0 2 379.360 3.195 10 0 GGAELN COc1cc(C(F)(F)F)cc(S(=O)(=O)Nc2cnn(C(C)(C)C)c2)c1 ZINC000450997467 566732219 /nfs/dbraw/zinc/73/22/19/566732219.db2.gz FZPFKMJUJIPHJZ-UHFFFAOYSA-N 0 2 377.388 3.466 10 0 GGAELN CCOC(=O)c1ccc(CS(=O)(=O)Nc2ncc(C(F)(F)F)s2)cc1 ZINC000451007717 566734359 /nfs/dbraw/zinc/73/43/59/566734359.db2.gz YMARIGMFNLIBIL-UHFFFAOYSA-N 0 2 394.396 3.281 10 0 GGAELN O=C([O-])[C@H]([NH2+]Cc1csc(COc2ccc(Cl)cc2)n1)[C@H]1CCCO1 ZINC000630470448 566735217 /nfs/dbraw/zinc/73/52/17/566735217.db2.gz VDLNHCJHHXSFRO-GDBMZVCRSA-N 0 2 382.869 3.097 10 0 GGAELN Cc1ccsc1-c1nc(=NC(=O)N2CCC[C@@H]2[C@H]2CCCOC2)s[nH]1 ZINC000515840071 566735768 /nfs/dbraw/zinc/73/57/68/566735768.db2.gz DDZIYCCEIYVWMH-QWHCGFSZSA-N 0 2 378.523 3.420 10 0 GGAELN Cc1ccsc1-c1nc(=NC(=O)N2CCC[C@@H]2[C@@H]2CCCOC2)s[nH]1 ZINC000515840069 566736584 /nfs/dbraw/zinc/73/65/84/566736584.db2.gz DDZIYCCEIYVWMH-CHWSQXEVSA-N 0 2 378.523 3.420 10 0 GGAELN O=C([O-])[C@@H]([NH2+]Cc1csc(-c2cccc(Br)c2)n1)[C@@H]1CCCO1 ZINC000630470488 566736831 /nfs/dbraw/zinc/73/68/31/566736831.db2.gz VTBLZKGCBAGEDN-KBPBESRZSA-N 0 2 397.294 3.294 10 0 GGAELN COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)NC(C)(C)C(F)(F)F ZINC000451027662 566737588 /nfs/dbraw/zinc/73/75/88/566737588.db2.gz BKGFHFJXQRFZCI-UHFFFAOYSA-N 0 2 394.198 3.399 10 0 GGAELN Cc1[nH]c(=O)c(C(=O)N=c2nc(-c3ccsc3)[nH]s2)cc1Br ZINC000426990443 566740562 /nfs/dbraw/zinc/74/05/62/566740562.db2.gz IMKJJFGTDXALMT-UHFFFAOYSA-N 0 2 397.279 3.112 10 0 GGAELN COc1cc(S(=O)(=O)Nc2nnc(/C=C\c3ccco3)s2)ccc1F ZINC000468915708 566742719 /nfs/dbraw/zinc/74/27/19/566742719.db2.gz JWAODMZYZBBWOV-DAXSKMNVSA-N 0 2 381.410 3.250 10 0 GGAELN O=S(=O)(Nc1cc(Cl)ccc1OC(F)(F)F)c1cnc2n1CCC2 ZINC000451052945 566743994 /nfs/dbraw/zinc/74/39/94/566743994.db2.gz GOHQARVSATWJNI-UHFFFAOYSA-N 0 2 381.763 3.182 10 0 GGAELN O=S(=O)(Nc1nc(CC(F)(F)F)cs1)c1cnccc1C(F)(F)F ZINC000451060364 566745119 /nfs/dbraw/zinc/74/51/19/566745119.db2.gz WKMLXQDHIPVWPZ-UHFFFAOYSA-N 0 2 391.318 3.463 10 0 GGAELN COC(=O)c1ccc(S(=O)(=O)Nc2nc(CC(F)(F)F)cs2)c(C)c1 ZINC000451056575 566745403 /nfs/dbraw/zinc/74/54/03/566745403.db2.gz OOUGJDMAYQLZBU-UHFFFAOYSA-N 0 2 394.396 3.144 10 0 GGAELN COC(=O)c1cc2cccc(NS(=O)(=O)c3cnn(C(C)C)c3)c2s1 ZINC000451072833 566748717 /nfs/dbraw/zinc/74/87/17/566748717.db2.gz YDHGQQSLBLLLRU-UHFFFAOYSA-N 0 2 379.463 3.266 10 0 GGAELN CN(CC(=O)Nc1ccccc1Br)C(=O)c1c(O)cc(F)cc1F ZINC000677483620 566749001 /nfs/dbraw/zinc/74/90/01/566749001.db2.gz UMKDXVHIMZECSC-UHFFFAOYSA-N 0 2 399.191 3.144 10 0 GGAELN Cc1ccc(Br)cc1S(=O)(=O)Nc1cnn(C)c1C(F)F ZINC000677551148 566751454 /nfs/dbraw/zinc/75/14/54/566751454.db2.gz WALXZTODSBAXMW-UHFFFAOYSA-N 0 2 380.214 3.229 10 0 GGAELN COC(=O)c1sc(NS(=O)(=O)c2ccc(F)c(OC)c2)nc1C(C)C ZINC000451092530 566754204 /nfs/dbraw/zinc/75/42/04/566754204.db2.gz ATUXLPRVBVWMCA-UHFFFAOYSA-N 0 2 388.442 3.002 10 0 GGAELN Cc1ccsc1-c1nc(=NC(=O)N2CC(C)(C)[C@H]2[C@H]2CCCO2)s[nH]1 ZINC000562022707 566757404 /nfs/dbraw/zinc/75/74/04/566757404.db2.gz WUBBPHPADCWAFA-DGCLKSJQSA-N 0 2 378.523 3.418 10 0 GGAELN Cc1ccsc1-c1nc(=NC(=O)N2CC(C)(C)[C@@H]2[C@H]2CCCO2)s[nH]1 ZINC000562022709 566757527 /nfs/dbraw/zinc/75/75/27/566757527.db2.gz WUBBPHPADCWAFA-YPMHNXCESA-N 0 2 378.523 3.418 10 0 GGAELN Cc1nc2ccc(S(=O)(=O)Nc3cnn(CC(F)(F)F)c3)cc2s1 ZINC000427247894 566761434 /nfs/dbraw/zinc/76/14/34/566761434.db2.gz CVWVBYBXLIPNPI-UHFFFAOYSA-N 0 2 376.385 3.164 10 0 GGAELN Cc1ccsc1-c1nc(=NC(=O)NCC2(CO)CC3(CCC3)C2)s[nH]1 ZINC000581287991 566766117 /nfs/dbraw/zinc/76/61/17/566766117.db2.gz OOVHUKICCHILTA-UHFFFAOYSA-N 0 2 378.523 3.061 10 0 GGAELN FC(F)(F)C(F)(F)c1n[n-]c(=NCc2cc(-n3cc[nH+]c3)cs2)s1 ZINC000630957453 566766577 /nfs/dbraw/zinc/76/65/77/566766577.db2.gz TWISAEZECLHJKY-UHFFFAOYSA-N 0 2 381.355 3.473 10 0 GGAELN COCCOc1ccc(F)cc1S(=O)(=O)Nc1cc(Cl)c(Cl)cn1 ZINC000469167156 566767674 /nfs/dbraw/zinc/76/76/74/566767674.db2.gz VZTMKJVMAZEAJE-UHFFFAOYSA-N 0 2 395.239 3.354 10 0 GGAELN CO[C@@H]1CC[C@H](NC(=O)N=c2ccc(-c3ccc(Br)s3)n[nH]2)C1 ZINC000581347962 566769915 /nfs/dbraw/zinc/76/99/15/566769915.db2.gz STZZQYFSTBSSRT-VHSXEESVSA-N 0 2 397.298 3.079 10 0 GGAELN Cn1ncc(Cl)c1S(=O)(=O)Nc1cc(F)c(F)cc1N1CCCCC1 ZINC000562233585 566771460 /nfs/dbraw/zinc/77/14/60/566771460.db2.gz GBTHMPRFGHLWGH-UHFFFAOYSA-N 0 2 390.843 3.143 10 0 GGAELN CC[C@@H](C)c1nnc([C@H](C)NC(=O)N=c2nc(-c3ccsc3)[nH]s2)[nH]1 ZINC000516620872 566773190 /nfs/dbraw/zinc/77/31/90/566773190.db2.gz PSUAQMFUMHBEJX-BDAKNGLRSA-N 0 2 377.499 3.203 10 0 GGAELN CC[C@@H](C)c1nc([C@H](C)NC(=O)N=c2nc(-c3ccsc3)[nH]s2)n[nH]1 ZINC000516620872 566773198 /nfs/dbraw/zinc/77/31/98/566773198.db2.gz PSUAQMFUMHBEJX-BDAKNGLRSA-N 0 2 377.499 3.203 10 0 GGAELN CC[C@H](C)c1nnc([C@H](C)NC(=O)N=c2nc(-c3ccsc3)[nH]s2)[nH]1 ZINC000516620874 566773256 /nfs/dbraw/zinc/77/32/56/566773256.db2.gz PSUAQMFUMHBEJX-IUCAKERBSA-N 0 2 377.499 3.203 10 0 GGAELN CC[C@H](C)c1nc([C@H](C)NC(=O)N=c2nc(-c3ccsc3)[nH]s2)n[nH]1 ZINC000516620874 566773262 /nfs/dbraw/zinc/77/32/62/566773262.db2.gz PSUAQMFUMHBEJX-IUCAKERBSA-N 0 2 377.499 3.203 10 0 GGAELN Cc1c(Br)cccc1S(=O)(=O)Nc1cc([C@@H]2CCCO2)[nH]n1 ZINC000562315560 566779473 /nfs/dbraw/zinc/77/94/73/566779473.db2.gz ZYNFCJZRDKGKFI-LBPRGKRZSA-N 0 2 386.271 3.133 10 0 GGAELN COC(=O)c1ccc(S(=O)(=O)Nc2nc(C)c(C(F)(F)F)s2)c(C)c1 ZINC000562462398 566793654 /nfs/dbraw/zinc/79/36/54/566793654.db2.gz IREAVBQMONMXRE-UHFFFAOYSA-N 0 2 394.396 3.366 10 0 GGAELN Cc1n[nH]cc1C1CCN(C(=O)c2cc(Br)c(F)cc2O)CC1 ZINC000581648699 566796771 /nfs/dbraw/zinc/79/67/71/566796771.db2.gz VLUNTPQDBJVNJJ-UHFFFAOYSA-N 0 2 382.233 3.345 10 0 GGAELN O=C(Nc1c(O)cccc1F)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000678374533 566796958 /nfs/dbraw/zinc/79/69/58/566796958.db2.gz PRTRZBONWZXOOD-UHFFFAOYSA-N 0 2 377.169 3.388 10 0 GGAELN CCc1nc(NS(=O)(=O)c2ccc3nc(C)sc3c2)sc1C(=O)OC ZINC000427787373 566797158 /nfs/dbraw/zinc/79/71/58/566797158.db2.gz GXLIVGSKHRWBQM-UHFFFAOYSA-N 0 2 397.503 3.211 10 0 GGAELN CCOC(=O)c1sc(NS(=O)(=O)c2ccc3nc(C)sc3c2)nc1C ZINC000427785846 566798193 /nfs/dbraw/zinc/79/81/93/566798193.db2.gz XDSJQUDDJUWVSR-UHFFFAOYSA-N 0 2 397.503 3.347 10 0 GGAELN O=C(c1cc(Br)c(F)cc1O)N1CCN(Cc2ccsc2)CC1 ZINC000562511809 566798458 /nfs/dbraw/zinc/79/84/58/566798458.db2.gz FBBFFZZCKFJGRT-UHFFFAOYSA-N 0 2 399.285 3.313 10 0 GGAELN Cc1nc2ccc(S(=O)(=O)Nc3nc(-c4cccs4)ns3)cc2s1 ZINC000427803286 566800397 /nfs/dbraw/zinc/80/03/97/566800397.db2.gz VWJRUTOPDQUKLK-UHFFFAOYSA-N 0 2 394.528 3.407 10 0 GGAELN CN(C)S(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCc3sc(Cl)cc32)cc1 ZINC000581875887 566811224 /nfs/dbraw/zinc/81/12/24/566811224.db2.gz OWBNAQKGEZVFPH-CQSZACIVSA-N 0 2 398.937 3.459 10 0 GGAELN COc1cc(-c2nc([C@@H](C)n3cc(Br)cn3)no2)cc(OC)c1O ZINC000581884216 566811998 /nfs/dbraw/zinc/81/19/98/566811998.db2.gz ZASRMXFNNFZTTB-MRVPVSSYSA-N 0 2 395.213 3.028 10 0 GGAELN CC(C)(C)c1cc(Br)cc(NS(=O)(=O)C[C@H]2CCCO2)c1O ZINC000655589468 566818333 /nfs/dbraw/zinc/81/83/33/566818333.db2.gz UMGQVMWADCLECX-LLVKDONJSA-N 0 2 392.315 3.373 10 0 GGAELN Cc1cc(NS(=O)(=O)c2c(Cl)cnn2C)ccc1C(=O)OC(C)(C)C ZINC000581978819 566819646 /nfs/dbraw/zinc/81/96/46/566819646.db2.gz GTRIMULURCMKTO-UHFFFAOYSA-N 0 2 385.873 3.138 10 0 GGAELN O=C(N=c1ncn(C2CCCCC2)[nH]1)NCc1cc(F)ccc1Br ZINC000542721360 566819795 /nfs/dbraw/zinc/81/97/95/566819795.db2.gz KTAHKGXGZMDXAS-UHFFFAOYSA-N 0 2 396.264 3.429 10 0 GGAELN COC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1cc(Cl)cc(Cl)c1O ZINC000542721061 566820334 /nfs/dbraw/zinc/82/03/34/566820334.db2.gz JDHKGAXYTQEQOZ-UHFFFAOYSA-N 0 2 394.232 3.496 10 0 GGAELN O=C(Cc1ccc(NS(=O)(=O)c2cccs2)cc1)N1CC[C@H]1C1CC1 ZINC000562757661 566820878 /nfs/dbraw/zinc/82/08/78/566820878.db2.gz JSQOFRONOAGWOT-INIZCTEOSA-N 0 2 376.503 3.102 10 0 GGAELN O=C(NCc1ccc(Cn2ccnc2)cc1)c1cccc(Br)c1O ZINC000517373405 566822920 /nfs/dbraw/zinc/82/29/20/566822920.db2.gz OICMNWSCRRCELO-UHFFFAOYSA-N 0 2 386.249 3.330 10 0 GGAELN O=C(N=c1ccc(-c2ccc(Br)s2)n[nH]1)C1CCC(=O)CC1 ZINC000582038027 566825418 /nfs/dbraw/zinc/82/54/18/566825418.db2.gz XSGCDFITQCMQOI-UHFFFAOYSA-N 0 2 380.267 3.087 10 0 GGAELN CO[C@@H]1C[C@@H](N(C)C(=O)N=c2nc(-c3sccc3C)[nH]s2)C12CCC2 ZINC000517515149 566828713 /nfs/dbraw/zinc/82/87/13/566828713.db2.gz WYTWRJVCGXUMLL-VXGBXAGGSA-N 0 2 378.523 3.418 10 0 GGAELN O=S(=O)(N[C@@H](C[C@H]1CCCO1)C(F)(F)F)c1cc(F)ccc1Cl ZINC000655661622 566830095 /nfs/dbraw/zinc/83/00/95/566830095.db2.gz GUYPUSBYIWKNQS-SKDRFNHKSA-N 0 2 375.771 3.257 10 0 GGAELN CCCOc1ccc(Br)cc1CN1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000582086112 566830296 /nfs/dbraw/zinc/83/02/96/566830296.db2.gz JFULHKCRADQLIY-GFCCVEGCSA-N 0 2 395.301 3.441 10 0 GGAELN Cc1cc(S(=O)(=O)N[C@H](C[C@H]2CCCO2)C(F)(F)F)sc1Cl ZINC000655661639 566830476 /nfs/dbraw/zinc/83/04/76/566830476.db2.gz HAUVRFJBBQVLCS-RKDXNWHRSA-N 0 2 377.837 3.488 10 0 GGAELN C[C@H]1CCN(C(=O)c2cccc(NS(=O)(=O)c3cccs3)c2)C[C@@H]1F ZINC000679246595 566843710 /nfs/dbraw/zinc/84/37/10/566843710.db2.gz BVTCIHJHWWWMIQ-WFASDCNBSA-N 0 2 382.482 3.369 10 0 GGAELN Cc1cccc2oc(CCNS(=O)(=O)c3onc(C4CC4)c3Cl)nc21 ZINC000632052308 566844642 /nfs/dbraw/zinc/84/46/42/566844642.db2.gz MMGNRZSEDLDNEB-UHFFFAOYSA-N 0 2 381.841 3.176 10 0 GGAELN COc1cc(Br)ccc1[C@H](C)NC(=O)N=c1cc(C)c(C)n[nH]1 ZINC000470364182 566868048 /nfs/dbraw/zinc/86/80/48/566868048.db2.gz RTNIKTBUNGQUDX-NSHDSACASA-N 0 2 379.258 3.169 10 0 GGAELN CC(C)(C)n1cnc(=NC(=O)NC2(c3cccc(Br)c3)CCC2)[nH]1 ZINC000543365677 566873764 /nfs/dbraw/zinc/87/37/64/566873764.db2.gz JOXAROYWMVYNFP-UHFFFAOYSA-N 0 2 392.301 3.418 10 0 GGAELN COc1cccc(-c2nc(=NC(=O)C(=O)c3ccc(Cl)s3)s[nH]2)c1 ZINC000428726690 566874009 /nfs/dbraw/zinc/87/40/09/566874009.db2.gz GBGRNVQNGVIKAM-UHFFFAOYSA-N 0 2 379.850 3.172 10 0 GGAELN CC(C)(C)n1cnc(=NC(=O)c2ccn(-c3ccc(Cl)cc3Cl)n2)[nH]1 ZINC000543383713 566876005 /nfs/dbraw/zinc/87/60/05/566876005.db2.gz GHAFWRVLBJSBSO-UHFFFAOYSA-N 0 2 379.251 3.200 10 0 GGAELN COc1cc(Br)ccc1[C@H](C)NC(=O)N=c1ncn(C(C)(C)C)[nH]1 ZINC000470516508 566878795 /nfs/dbraw/zinc/87/87/95/566878795.db2.gz AKOWFDWWRZVXCQ-JTQLQIEISA-N 0 2 396.289 3.109 10 0 GGAELN Cc1c(Br)cccc1CS(=O)(=O)NCC(F)(F)C(F)F ZINC000656183791 566881369 /nfs/dbraw/zinc/88/13/69/566881369.db2.gz JTODIVOFTZJERN-UHFFFAOYSA-N 0 2 378.185 3.077 10 0 GGAELN O=S(=O)(N[C@@H]1CCO[C@@H](c2cccs2)C1)c1onc(C2CC2)c1Cl ZINC000632419999 566883703 /nfs/dbraw/zinc/88/37/03/566883703.db2.gz UWXLHRUWBQEQAH-GHMZBOCLSA-N 0 2 388.898 3.466 10 0 GGAELN CCS[C@H]1CCC[C@H]1NC(=O)N=c1nc(-c2cccc(OC)c2)[nH]s1 ZINC000543621291 566895268 /nfs/dbraw/zinc/89/52/68/566895268.db2.gz LIHHGQXHKZNVHB-KGLIPLIRSA-N 0 2 378.523 3.431 10 0 GGAELN CC[C@H](NC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1)C(F)(F)F ZINC000470782527 566905275 /nfs/dbraw/zinc/90/52/75/566905275.db2.gz XLOHTPVBCLYTFK-NSHDSACASA-N 0 2 393.412 3.015 10 0 GGAELN CC(C)Oc1ccc(=NCc2cnn(-c3ccc(Br)cc3)c2)[nH]n1 ZINC000582937323 566907277 /nfs/dbraw/zinc/90/72/77/566907277.db2.gz NQLYKYGWZYVYDM-UHFFFAOYSA-N 0 2 388.269 3.246 10 0 GGAELN Cc1ccsc1S(=O)(=O)Nc1cc(I)ccc1O ZINC000611291228 566907448 /nfs/dbraw/zinc/90/74/48/566907448.db2.gz GCBFJEAXQRDGIH-UHFFFAOYSA-N 0 2 395.243 3.168 10 0 GGAELN CCc1ccc(S(=O)(=O)Nc2nc3nc(C)cc(C(=O)OC)c3s2)s1 ZINC000518853348 566908480 /nfs/dbraw/zinc/90/84/80/566908480.db2.gz RJMKTWOEUGYYJB-UHFFFAOYSA-N 0 2 397.503 3.211 10 0 GGAELN O=S(=O)(Nc1ncc(-c2cccnc2)s1)c1cccnc1C(F)(F)F ZINC000582969199 566909980 /nfs/dbraw/zinc/90/99/80/566909980.db2.gz UMHLUFRFNBKPCJ-UHFFFAOYSA-N 0 2 386.380 3.420 10 0 GGAELN CNC(=O)c1ccc(S(=O)(=O)Nc2ncc(C3CCCCC3)s2)cc1 ZINC000543857917 566918221 /nfs/dbraw/zinc/91/82/21/566918221.db2.gz FFHQUOTZZJIBBN-UHFFFAOYSA-N 0 2 379.507 3.351 10 0 GGAELN COC(=O)c1c(C)c(C)sc1NS(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000543859949 566918588 /nfs/dbraw/zinc/91/85/88/566918588.db2.gz LDDRQPPKTUXLKO-UHFFFAOYSA-N 0 2 394.396 3.366 10 0 GGAELN COCCN(C(=O)N=c1ccc(-c2ccc(Br)s2)n[nH]1)C1CC1 ZINC000519064421 566918718 /nfs/dbraw/zinc/91/87/18/566918718.db2.gz AAADCWIZWRQJKP-UHFFFAOYSA-N 0 2 397.298 3.032 10 0 GGAELN O=C(c1cc(Cl)cc(Br)c1O)N1CCO[C@]2(CCSC2)C1 ZINC000583086100 566920596 /nfs/dbraw/zinc/92/05/96/566920596.db2.gz AJSMVYKJKHXMDD-CQSZACIVSA-N 0 2 392.702 3.156 10 0 GGAELN O=S(=O)(Nc1cc2n(n1)CCCC2)c1cc(Cl)cc(Br)c1 ZINC000656629978 566926554 /nfs/dbraw/zinc/92/65/54/566926554.db2.gz RNGCPMXQDJQELV-UHFFFAOYSA-N 0 2 390.690 3.436 10 0 GGAELN CCc1ccc(NS(=O)(=O)c2cc3c(s2)CCN(C(C)=O)C3)cc1F ZINC000656626770 566926986 /nfs/dbraw/zinc/92/69/86/566926986.db2.gz VCJHEEHAMQDDDQ-UHFFFAOYSA-N 0 2 382.482 3.155 10 0 GGAELN CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)Nc2ccc(C(F)F)nc2)s1 ZINC000656633472 566928608 /nfs/dbraw/zinc/92/86/08/566928608.db2.gz BVJJARGOORJYQK-QMMMGPOBSA-N 0 2 375.422 3.079 10 0 GGAELN CSc1cc(NS(=O)(=O)c2cc3c(s2)CCN(C(C)=O)C3)ccc1C ZINC000656630904 566928791 /nfs/dbraw/zinc/92/87/91/566928791.db2.gz DKJUGZVAJBYKHU-UHFFFAOYSA-N 0 2 396.559 3.484 10 0 GGAELN Oc1c(Br)cccc1-c1nc(-c2ncccc2-n2cccn2)no1 ZINC000519263209 566929042 /nfs/dbraw/zinc/92/90/42/566929042.db2.gz PMLTUETWNUIPDQ-UHFFFAOYSA-N 0 2 384.193 3.452 10 0 GGAELN CSc1ccc(S(=O)(=O)Nc2ccn(C3CCOCC3)n2)cc1Cl ZINC000656636557 566929564 /nfs/dbraw/zinc/92/95/64/566929564.db2.gz MRLJXOASRGCNGR-UHFFFAOYSA-N 0 2 387.914 3.411 10 0 GGAELN CC(C)Sc1ccccc1NS(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000471135688 566931719 /nfs/dbraw/zinc/93/17/19/566931719.db2.gz FNVHDJNEQNMFHC-UHFFFAOYSA-N 0 2 385.532 3.391 10 0 GGAELN COc1cc(Br)ccc1CNC(=O)N=c1nc(C(C)(C)C)[nH]s1 ZINC000429448816 566932700 /nfs/dbraw/zinc/93/27/00/566932700.db2.gz HCJPBHBQIZFSFS-UHFFFAOYSA-N 0 2 399.314 3.350 10 0 GGAELN CO[C@@H](CS(=O)(=O)Nc1ccc(Cl)cc1C(F)(F)F)[C@H]1CCOC1 ZINC000656728742 566939075 /nfs/dbraw/zinc/93/90/75/566939075.db2.gz RSGKASQDRDWFDT-ZANVPECISA-N 0 2 387.807 3.152 10 0 GGAELN CCCOc1ccc(Br)cc1S(=O)(=O)Nc1ccnc(C)n1 ZINC000656729884 566939538 /nfs/dbraw/zinc/93/95/38/566939538.db2.gz BILWJYMMBSBJFR-UHFFFAOYSA-N 0 2 386.271 3.137 10 0 GGAELN COc1cc(OC)c(NS(=O)(=O)c2cccnc2C(F)(F)F)cc1F ZINC000564061226 566940778 /nfs/dbraw/zinc/94/07/78/566940778.db2.gz LJPFXMFXXTYPAK-UHFFFAOYSA-N 0 2 380.319 3.058 10 0 GGAELN CO[C@@H](CS(=O)(=O)N[C@H](c1cc(F)ccc1F)C(F)F)C1CCCC1 ZINC000656732962 566941546 /nfs/dbraw/zinc/94/15/46/566941546.db2.gz CMGLOLACGYLWMQ-LSDHHAIUSA-N 0 2 383.407 3.396 10 0 GGAELN COc1cc(F)c(S(=O)(=O)Nc2nnc(CCC(C)C)s2)cc1OC ZINC000656736982 566942824 /nfs/dbraw/zinc/94/28/24/566942824.db2.gz WVEPUFFCUAHSGH-UHFFFAOYSA-N 0 2 389.474 3.084 10 0 GGAELN CCc1noc2ncc(S(=O)(=O)Nc3nnc(CCC(C)C)s3)cc12 ZINC000656737016 566942846 /nfs/dbraw/zinc/94/28/46/566942846.db2.gz YOCBDXCQYNFYCS-UHFFFAOYSA-N 0 2 381.483 3.026 10 0 GGAELN CC(=O)Nc1cc(S(=O)(=O)Nc2nnc(CCC(C)C)s2)ccc1C ZINC000656736684 566942941 /nfs/dbraw/zinc/94/29/41/566942941.db2.gz NQGDOBIMQHFGBR-UHFFFAOYSA-N 0 2 382.511 3.194 10 0 GGAELN COC(=O)c1c(C)cccc1S(=O)(=O)Nc1ccc(C(C)=O)c(Cl)c1 ZINC000611914617 566943202 /nfs/dbraw/zinc/94/32/02/566943202.db2.gz OYUFWZRYQBARDL-UHFFFAOYSA-N 0 2 381.837 3.438 10 0 GGAELN CN(C)c1cccc(S(=O)(=O)Nc2nc(-c3cccc(Cl)c3)ns2)c1 ZINC000493102275 566943510 /nfs/dbraw/zinc/94/35/10/566943510.db2.gz BJKVEPIQFPIDSJ-UHFFFAOYSA-N 0 2 394.909 3.147 10 0 GGAELN CO[C@@H](CS(=O)(=O)Nc1cc(Cl)ccc1C(F)(F)F)[C@H]1CCOC1 ZINC000656740434 566944613 /nfs/dbraw/zinc/94/46/13/566944613.db2.gz ZWFPDOXRBNAWEL-ZANVPECISA-N 0 2 387.807 3.152 10 0 GGAELN O=C(c1cc(Br)c(F)cc1O)N1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000452173740 566945874 /nfs/dbraw/zinc/94/58/74/566945874.db2.gz ZSWBVBHBXJMANH-LSDHHAIUSA-N 0 2 384.245 3.468 10 0 GGAELN CO[C@@H](CS(=O)(=O)Nc1cccc2cc(Br)cnc21)C1CC1 ZINC000519542483 566946280 /nfs/dbraw/zinc/94/62/80/566946280.db2.gz OXDIIYBLWXWTIN-AWEZNQCLSA-N 0 2 385.283 3.164 10 0 GGAELN CC(F)(F)CCCNC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000452200530 566950040 /nfs/dbraw/zinc/95/00/40/566950040.db2.gz JOSLGIXSPDXOAH-UHFFFAOYSA-N 0 2 389.449 3.109 10 0 GGAELN Cc1nc2ccc(S(=O)(=O)Nc3cc([C@@H]4CCCOC4)[nH]n3)cc2s1 ZINC000564150653 566950748 /nfs/dbraw/zinc/95/07/48/566950748.db2.gz UULITFPGQCWFQC-LLVKDONJSA-N 0 2 378.479 3.023 10 0 GGAELN C[C@H](Cc1cc(Br)ccc1F)NC(=O)N=c1ncn(C(C)(C)C)[nH]1 ZINC000544315771 566952445 /nfs/dbraw/zinc/95/24/45/566952445.db2.gz ZBUXFPUWPDWFBQ-SNVBAGLBSA-N 0 2 398.280 3.109 10 0 GGAELN CC[C@H](NC(=O)N=c1ncn(C(C)(C)C)[nH]1)c1nc(C(F)(F)F)cs1 ZINC000544318371 566952577 /nfs/dbraw/zinc/95/25/77/566952577.db2.gz WVZWFGJWTMGUPS-QMMMGPOBSA-N 0 2 376.408 3.203 10 0 GGAELN CC[C@@H](c1nnc(NS(=O)(=O)c2cn(CC)cn2)s1)c1ccccc1 ZINC000471506108 566955770 /nfs/dbraw/zinc/95/57/70/566955770.db2.gz DQSIPXRHNGYTLW-CYBMUJFWSA-N 0 2 377.495 3.097 10 0 GGAELN Cc1ccsc1-c1nc(=NC(=O)NCc2nnc(C3CC3)s2)s[nH]1 ZINC000564430465 566976739 /nfs/dbraw/zinc/97/67/39/566976739.db2.gz MSLLBQVEWIMQIM-UHFFFAOYSA-N 0 2 378.508 3.048 10 0 GGAELN COC(=O)c1cc(F)c(C)c(S(=O)(=O)Nc2cc(Cl)c(Cl)cn2)c1 ZINC000471905532 566985376 /nfs/dbraw/zinc/98/53/76/566985376.db2.gz CJAIGSNODIEESP-UHFFFAOYSA-N 0 2 393.223 3.423 10 0 GGAELN Cc1ccsc1-c1nsc(NS(=O)(=O)c2cnc3ccsc3c2)n1 ZINC000471950740 566988288 /nfs/dbraw/zinc/98/82/88/566988288.db2.gz HYYCRACIYKLJSH-UHFFFAOYSA-N 0 2 394.528 3.407 10 0 GGAELN O=C(c1cc(Br)c(F)cc1O)N1CC2(CCOCC2)[C@@H]1C1CC1 ZINC000452507861 566989419 /nfs/dbraw/zinc/98/94/19/566989419.db2.gz FIIBTPCAZZKSNN-HNNXBMFYSA-N 0 2 384.245 3.325 10 0 GGAELN COC(=O)c1ccc(S(=O)(=O)Nc2cc(F)cc(Cl)c2O)cc1Cl ZINC000471978950 566992408 /nfs/dbraw/zinc/99/24/08/566992408.db2.gz NEDPVGLLJQRCAL-UHFFFAOYSA-N 0 2 394.207 3.426 10 0 GGAELN CCn1nc(C)c(CN(C)C(=O)c2cc(Br)c(F)cc2O)c1C ZINC000633762347 566992402 /nfs/dbraw/zinc/99/24/02/566992402.db2.gz BGYKUMUUPPUPDA-UHFFFAOYSA-N 0 2 384.249 3.399 10 0 GGAELN COCc1cc(Cl)cc(S(=O)(=O)Nc2cc(-c3ccncc3)n[nH]2)c1 ZINC000520468394 567007094 /nfs/dbraw/zinc/00/70/94/567007094.db2.gz NBFHUVPJNWJZDS-UHFFFAOYSA-N 0 2 378.841 3.072 10 0 GGAELN COCc1cc(Cl)cc(S(=O)(=O)Nc2cc(-c3ccncc3)[nH]n2)c1 ZINC000520468394 567007099 /nfs/dbraw/zinc/00/70/99/567007099.db2.gz NBFHUVPJNWJZDS-UHFFFAOYSA-N 0 2 378.841 3.072 10 0 GGAELN O=S(=O)(Nc1cc([C@H]2CCCO2)[nH]n1)c1ccc(C(F)(F)F)c(F)c1 ZINC000564811198 567011177 /nfs/dbraw/zinc/01/11/77/567011177.db2.gz LCTGIGVZLLVASN-GFCCVEGCSA-N 0 2 379.335 3.220 10 0 GGAELN Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](C)[C@@H](C(=O)[O-])C2)c(Br)c1 ZINC000564966596 567026064 /nfs/dbraw/zinc/02/60/64/567026064.db2.gz XOMCDVKUNFKLAD-AVGNSLFASA-N 0 2 383.286 3.127 10 0 GGAELN Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](C)[C@@H](C(=O)[O-])C2)c(Br)c1 ZINC000564966596 567026070 /nfs/dbraw/zinc/02/60/70/567026070.db2.gz XOMCDVKUNFKLAD-AVGNSLFASA-N 0 2 383.286 3.127 10 0 GGAELN CCn1nccc1S(=O)(=O)Nc1nc(C)c(Cc2cccc(F)c2)s1 ZINC000545313982 567038693 /nfs/dbraw/zinc/03/86/93/567038693.db2.gz OIHHJZFJXZBWNA-UHFFFAOYSA-N 0 2 380.470 3.199 10 0 GGAELN CC[C@@H]1CCc2nc(NS(=O)(=O)c3c(C(F)(F)F)cnn3C)sc2C1 ZINC000634655207 567044367 /nfs/dbraw/zinc/04/43/67/567044367.db2.gz IKLTYRNLTWDVGU-MRVPVSSYSA-N 0 2 394.444 3.211 10 0 GGAELN Cc1cc(S(=O)(=O)Nc2nnc(C(F)(F)C(F)(F)F)s2)ccc1F ZINC000634659500 567045864 /nfs/dbraw/zinc/04/58/64/567045864.db2.gz XOEATSSHFULYHR-UHFFFAOYSA-N 0 2 391.318 3.441 10 0 GGAELN CCCC(C)(C)CC(=O)Nc1nnc(NS(=O)(=O)c2ccccc2)s1 ZINC000495097076 567045960 /nfs/dbraw/zinc/04/59/60/567045960.db2.gz FBFQGLHMMZOAAN-UHFFFAOYSA-N 0 2 382.511 3.494 10 0 GGAELN Cc1nc(C)c(S(=O)(=O)Nc2nnc(C(F)(F)C(F)(F)F)s2)s1 ZINC000634659228 567046289 /nfs/dbraw/zinc/04/62/89/567046289.db2.gz DHDMLSHOBILPLF-UHFFFAOYSA-N 0 2 394.372 3.066 10 0 GGAELN Cn1ncc(C(F)(F)F)c1S(=O)(=O)Nc1nc2c(s1)CCCC2(C)C ZINC000634657956 567046984 /nfs/dbraw/zinc/04/69/84/567046984.db2.gz JUHYXCKENRJOCE-UHFFFAOYSA-N 0 2 394.444 3.310 10 0 GGAELN C[C@@H]1C[C@H]1c1nnc(NS(=O)(=O)c2c(Cl)cccc2Br)o1 ZINC000634662232 567047441 /nfs/dbraw/zinc/04/74/41/567047441.db2.gz KCPNYQPVOPLUJU-RNFRBKRXSA-N 0 2 392.662 3.410 10 0 GGAELN COc1cc(OC)c(S(=O)(=O)Nc2ccnn2CC2CCC2)cc1Cl ZINC000634664134 567049648 /nfs/dbraw/zinc/04/96/48/567049648.db2.gz PGNMIIZUKFKMFW-UHFFFAOYSA-N 0 2 385.873 3.155 10 0 GGAELN COc1cc(S(=O)(=O)Nc2nnc(Cc3ccccc3)s2)ccc1F ZINC000682490709 567050190 /nfs/dbraw/zinc/05/01/90/567050190.db2.gz YYYGQJDJTDKHCB-UHFFFAOYSA-N 0 2 379.438 3.077 10 0 GGAELN Cc1cc(S(=O)(=O)Nc2nnc([C@@H]3CCCO3)s2)c(Cl)cc1F ZINC000634665079 567051685 /nfs/dbraw/zinc/05/16/85/567051685.db2.gz VKZSIXRFFWSTRO-JTQLQIEISA-N 0 2 377.850 3.291 10 0 GGAELN Fc1cccc(F)c1C[N@@H+]1CCC[C@@H](N=c2[n-]c(C(F)(F)F)ns2)C1 ZINC000584546794 567052872 /nfs/dbraw/zinc/05/28/72/567052872.db2.gz RJXUWNYXASYQCV-SECBINFHSA-N 0 2 378.370 3.334 10 0 GGAELN Fc1cccc(F)c1C[N@H+]1CCC[C@@H](N=c2[n-]c(C(F)(F)F)ns2)C1 ZINC000584546794 567052877 /nfs/dbraw/zinc/05/28/77/567052877.db2.gz RJXUWNYXASYQCV-SECBINFHSA-N 0 2 378.370 3.334 10 0 GGAELN COC(=O)c1csc(S(=O)(=O)Nc2cccc(-c3ncc(C)o3)c2)c1 ZINC000521329195 567054793 /nfs/dbraw/zinc/05/47/93/567054793.db2.gz VUIHQJJSAVMSPE-UHFFFAOYSA-N 0 2 378.431 3.299 10 0 GGAELN O=S(=O)(Nc1cnc(CC2CC2)nc1)c1cc(F)ccc1Br ZINC000565318938 567057627 /nfs/dbraw/zinc/05/76/27/567057627.db2.gz VCHVTGMBTREBHJ-UHFFFAOYSA-N 0 2 386.246 3.132 10 0 GGAELN COCc1ccccc1CS(=O)(=O)Nc1ncc(-c2cccnc2)s1 ZINC000584677783 567059945 /nfs/dbraw/zinc/05/99/45/567059945.db2.gz PNIMKLLYHHGYSH-UHFFFAOYSA-N 0 2 375.475 3.293 10 0 GGAELN COc1cc(NS(=O)(=O)c2cnccc2C(F)(F)F)cc(OC)c1C ZINC000431145935 567060520 /nfs/dbraw/zinc/06/05/20/567060520.db2.gz JRLWJPUHEDGSGG-UHFFFAOYSA-N 0 2 376.356 3.227 10 0 GGAELN Cc1cc(C)c(S(=O)(=O)Nc2ccc(-c3nc(C)cc(=O)[nH]3)cc2)s1 ZINC000431179614 567063923 /nfs/dbraw/zinc/06/39/23/567063923.db2.gz CYOXETJQDYVDNA-UHFFFAOYSA-N 0 2 375.475 3.224 10 0 GGAELN COc1cc(S(=O)(=O)Nc2nc(C3CCOCC3)cs2)ccc1Cl ZINC000521580016 567067380 /nfs/dbraw/zinc/06/73/80/567067380.db2.gz OEDXAGYENXFKLW-UHFFFAOYSA-N 0 2 388.898 3.500 10 0 GGAELN COc1ccc(NS(=O)(=O)c2cc(C)c(F)cc2F)c(C(F)(F)F)n1 ZINC000682805856 567072327 /nfs/dbraw/zinc/07/23/27/567072327.db2.gz ZRZASVIUFNWHGW-UHFFFAOYSA-N 0 2 382.310 3.496 10 0 GGAELN COc1ccc(NS(=O)(=O)c2cc(Br)c(F)cc2C)nc1 ZINC000682898803 567080656 /nfs/dbraw/zinc/08/06/56/567080656.db2.gz GKYILMGVBSXILN-UHFFFAOYSA-N 0 2 375.219 3.101 10 0 GGAELN CCOC(=O)c1c(F)cccc1NS(=O)(=O)c1ccc2ncsc2c1 ZINC000614096118 567083653 /nfs/dbraw/zinc/08/36/53/567083653.db2.gz NPIVQRZSWJXMTR-UHFFFAOYSA-N 0 2 380.422 3.413 10 0 GGAELN COC(=O)c1sc(NS(=O)(=O)c2c(C)n(C)c3ccccc32)cc1C ZINC000585732789 567083700 /nfs/dbraw/zinc/08/37/00/567083700.db2.gz ILDCNCXYTWKUTA-UHFFFAOYSA-N 0 2 378.475 3.444 10 0 GGAELN COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)NC(C)(C)C(F)F ZINC000586767893 567094084 /nfs/dbraw/zinc/09/40/84/567094084.db2.gz JJNOSQNDXONDHV-UHFFFAOYSA-N 0 2 376.208 3.102 10 0 GGAELN Cc1ccsc1-c1nc(=NC(=O)N2CCC[C@@]3(CCCOC3)C2)s[nH]1 ZINC000546036479 567096873 /nfs/dbraw/zinc/09/68/73/567096873.db2.gz LNCZJVAOZVYVDT-QGZVFWFLSA-N 0 2 378.523 3.421 10 0 GGAELN CCn1nc(C)c(CNC(=O)N=c2nc(-c3sccc3C)[nH]s2)c1C ZINC000546036724 567097348 /nfs/dbraw/zinc/09/73/48/567097348.db2.gz NBWAYMGAHIHUQY-UHFFFAOYSA-N 0 2 376.511 3.152 10 0 GGAELN Cc1ccsc1-c1nc(=NC(=O)N2CCC[C@@H]2C2CCOCC2)s[nH]1 ZINC000546038113 567097521 /nfs/dbraw/zinc/09/75/21/567097521.db2.gz HDWMLBKJCHXTJP-CYBMUJFWSA-N 0 2 378.523 3.420 10 0 GGAELN O=S(=O)(Nc1ncc(C(F)(F)F)s1)c1cnn(-c2ccccc2F)c1 ZINC000473756944 567100774 /nfs/dbraw/zinc/10/07/74/567100774.db2.gz CXIBJRPROOGZGQ-UHFFFAOYSA-N 0 2 392.359 3.288 10 0 GGAELN O=S(=O)(Nc1ncc(C(F)(F)F)s1)c1cnc(-c2ccccc2)nc1 ZINC000473756899 567100918 /nfs/dbraw/zinc/10/09/18/567100918.db2.gz CRDSYNYHIFKGQU-UHFFFAOYSA-N 0 2 386.380 3.420 10 0 GGAELN O=S(=O)(Nc1ncc(C(F)(F)F)s1)c1ccc(C(F)(F)F)nc1 ZINC000473764214 567100988 /nfs/dbraw/zinc/10/09/88/567100988.db2.gz WECMHCIWFMVLAK-UHFFFAOYSA-N 0 2 377.291 3.377 10 0 GGAELN O=C(N=c1nc(-c2cccc(Cl)c2)[nH]s1)N[C@H](CO)c1ccsc1 ZINC000473770732 567101484 /nfs/dbraw/zinc/10/14/84/567101484.db2.gz VQOVBLLIBMFSON-GFCCVEGCSA-N 0 2 380.882 3.197 10 0 GGAELN COc1cc(C)c(S(=O)(=O)Nc2ncc(C(F)(F)F)s2)cc1OC ZINC000473759868 567101861 /nfs/dbraw/zinc/10/18/61/567101861.db2.gz VNJYWABYPLCECZ-UHFFFAOYSA-N 0 2 382.385 3.288 10 0 GGAELN Cc1ccsc1-c1nc(=NC(=O)NCCOc2cccc(F)c2)s[nH]1 ZINC000473829382 567104399 /nfs/dbraw/zinc/10/43/99/567104399.db2.gz LNBOSOOGGXQIQJ-UHFFFAOYSA-N 0 2 378.454 3.337 10 0 GGAELN CCO[C@@H]1C[C@@H](NC(=O)N=c2nc(-c3sccc3C)[nH]s2)C12CCC2 ZINC000473822916 567104635 /nfs/dbraw/zinc/10/46/35/567104635.db2.gz PSTYPGHPQLNURD-VXGBXAGGSA-N 0 2 378.523 3.466 10 0 GGAELN Cc1ccsc1-c1nc(=NC(=O)N[C@@H](CCO)C2CCCCC2)s[nH]1 ZINC000473834880 567106138 /nfs/dbraw/zinc/10/61/38/567106138.db2.gz HNDBDMRVHJMQOY-ZDUSSCGKSA-N 0 2 380.539 3.450 10 0 GGAELN Cc1ccsc1-c1nc(=NC(=O)NCC2([C@@H](C)CCO)CCC2)s[nH]1 ZINC000473838317 567106727 /nfs/dbraw/zinc/10/67/27/567106727.db2.gz WQMACKIECISSDD-LBPRGKRZSA-N 0 2 380.539 3.307 10 0 GGAELN CCc1nc(C(=O)Nc2nc(-c3ccc(Br)cc3F)n[nH]2)c(C)o1 ZINC000497564740 567111476 /nfs/dbraw/zinc/11/14/76/567111476.db2.gz SPRKGJXLKZDXCM-UHFFFAOYSA-N 0 2 394.204 3.484 10 0 GGAELN CC(C)Oc1ncccc1NS(=O)(=O)c1cc2c(cc1Cl)OCCO2 ZINC000588625566 567129678 /nfs/dbraw/zinc/12/96/78/567129678.db2.gz IZNFUSIDKVVRHA-UHFFFAOYSA-N 0 2 384.841 3.094 10 0 GGAELN O=C(CSc1n[nH]c(=O)[nH]1)c1cc(Br)sc1Br ZINC000683619955 567138734 /nfs/dbraw/zinc/13/87/34/567138734.db2.gz HWVSMKDHJLSJPA-UHFFFAOYSA-N 0 2 399.089 3.072 10 0 GGAELN CCc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCC(F)(F)F)cc2)s1 ZINC000614785532 567139902 /nfs/dbraw/zinc/13/99/02/567139902.db2.gz QVQQAKIWIGZIAF-UHFFFAOYSA-N 0 2 392.424 3.403 10 0 GGAELN COC(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cccnc1C(F)(F)F ZINC000588839493 567140864 /nfs/dbraw/zinc/14/08/64/567140864.db2.gz DZTORTNBYGYLHZ-UHFFFAOYSA-N 0 2 394.758 3.341 10 0 GGAELN CC[C@H](c1nnc(NS(=O)(=O)c2ccnn2CC)s1)c1ccccc1 ZINC000546727100 567151651 /nfs/dbraw/zinc/15/16/51/567151651.db2.gz PTIVBOQNGGBUEZ-ZDUSSCGKSA-N 0 2 377.495 3.097 10 0 GGAELN COC(=O)c1nc(NS(=O)(=O)c2c(F)cccc2Cl)sc1C1CC1 ZINC000432362093 567153130 /nfs/dbraw/zinc/15/31/30/567153130.db2.gz HOJPFGOJPONVBU-UHFFFAOYSA-N 0 2 390.845 3.400 10 0 GGAELN O=C(c1c(O)cc(F)cc1F)N1CC[C@H](Oc2cncc(Br)c2)C1 ZINC000615126781 567161240 /nfs/dbraw/zinc/16/12/40/567161240.db2.gz MAMNZEKSSZFXCE-NSHDSACASA-N 0 2 399.191 3.121 10 0 GGAELN Cc1cc(S(=O)(=O)Nc2ccc(C(N)=O)c(OC(C)C)c2)sc1Cl ZINC000432488058 567163212 /nfs/dbraw/zinc/16/32/12/567163212.db2.gz ITKCPCFPAUIXNY-UHFFFAOYSA-N 0 2 388.898 3.397 10 0 GGAELN CC(C)Oc1cc(NS(=O)(=O)c2ccc(Cl)cc2F)ccc1C(N)=O ZINC000432488555 567164040 /nfs/dbraw/zinc/16/40/40/567164040.db2.gz KOBZFFYKOXOFRM-UHFFFAOYSA-N 0 2 386.832 3.166 10 0 GGAELN CC1(C)CC[C@H](C(=O)N=c2ccc(-c3ccc(Br)s3)n[nH]2)O1 ZINC000566772761 567189268 /nfs/dbraw/zinc/18/92/68/567189268.db2.gz DYFWYENPFWSGHW-SNVBAGLBSA-N 0 2 382.283 3.286 10 0 GGAELN Cc1nn(C)c(C)c1NS(=O)(=O)c1cc(Br)ccc1Cl ZINC000589873085 567196094 /nfs/dbraw/zinc/19/60/94/567196094.db2.gz ACNNIVIRINRMGC-UHFFFAOYSA-N 0 2 378.679 3.254 10 0 GGAELN CN(Cc1ccc[nH]1)C(=O)c1cccc(NS(=O)(=O)c2cccs2)c1 ZINC000474847148 567203817 /nfs/dbraw/zinc/20/38/17/567203817.db2.gz YXBRTTGKJSYOJK-UHFFFAOYSA-N 0 2 375.475 3.149 10 0 GGAELN Cn1nc(-c2ccsc2)cc1NS(=O)(=O)c1cccnc1C(F)(F)F ZINC000566938116 567204910 /nfs/dbraw/zinc/20/49/10/567204910.db2.gz NWZCYGQDBWTIKJ-UHFFFAOYSA-N 0 2 388.396 3.363 10 0 GGAELN COc1cccc(CS(=O)(=O)N[C@H](c2cc(F)ccc2F)C(F)F)c1 ZINC000432949913 567207964 /nfs/dbraw/zinc/20/79/64/567207964.db2.gz OWVFIONDXJSCEO-OAHLLOKOSA-N 0 2 377.359 3.399 10 0 GGAELN CC(C)S(=O)(=O)c1ccccc1NS(=O)(=O)c1ccc2ncsc2c1 ZINC000547495903 567213696 /nfs/dbraw/zinc/21/36/96/567213696.db2.gz BGRCFDHNFJGPOP-UHFFFAOYSA-N 0 2 396.515 3.279 10 0 GGAELN C[NH+](C)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)c(C(=O)[O-])c1 ZINC000547556034 567220254 /nfs/dbraw/zinc/22/02/54/567220254.db2.gz XKPNFJKOQSFFQT-UHFFFAOYSA-N 0 2 399.266 3.014 10 0 GGAELN O=C([O-])c1ccccc1OCC[N@@H+]1CCOc2cc(Br)ccc2C1 ZINC000659803663 567226949 /nfs/dbraw/zinc/22/69/49/567226949.db2.gz LSKHYMWGPRXHKN-UHFFFAOYSA-N 0 2 392.249 3.421 10 0 GGAELN O=C([O-])c1ccccc1OCC[N@H+]1CCOc2cc(Br)ccc2C1 ZINC000659803663 567226957 /nfs/dbraw/zinc/22/69/57/567226957.db2.gz LSKHYMWGPRXHKN-UHFFFAOYSA-N 0 2 392.249 3.421 10 0 GGAELN COC(=O)c1cc(S(=O)(=O)Nc2cnn(CC(C)C)c2C(C)C)cs1 ZINC000499269417 567234101 /nfs/dbraw/zinc/23/41/01/567234101.db2.gz CTWBFHQQAHMCIE-UHFFFAOYSA-N 0 2 385.511 3.311 10 0 GGAELN CO[C@H](C)c1cccc(NS(=O)(=O)c2cnc3c(Cl)c(C)nn3c2)c1 ZINC000499291792 567234814 /nfs/dbraw/zinc/23/48/14/567234814.db2.gz PPQMQPPISHIGQT-LLVKDONJSA-N 0 2 380.857 3.199 10 0 GGAELN CCOC(=O)CCN(CC1CC1)C(=O)c1cc(Br)c(F)cc1O ZINC000590625281 567235347 /nfs/dbraw/zinc/23/53/47/567235347.db2.gz CPWSBLHZTZTFEY-UHFFFAOYSA-N 0 2 388.233 3.099 10 0 GGAELN O=C(CCCSc1ccc(Cl)cc1)N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000684820228 567240602 /nfs/dbraw/zinc/24/06/02/567240602.db2.gz AOQAZFCHGHEAHW-UHFFFAOYSA-N 0 2 380.901 3.442 10 0 GGAELN C[C@@H](CN=c1[nH]nc(C2CCOCC2)s1)Oc1cccc(Br)c1 ZINC000567452442 567247584 /nfs/dbraw/zinc/24/75/84/567247584.db2.gz XGVHLNXQIRCHKM-NSHDSACASA-N 0 2 398.326 3.496 10 0 GGAELN CC(C)(C)c1cc(CS(=O)(=O)NCC(F)(F)c2ccc(F)cc2)no1 ZINC000660057340 567253356 /nfs/dbraw/zinc/25/33/56/567253356.db2.gz UDBHDBUUQCWLEF-UHFFFAOYSA-N 0 2 376.400 3.323 10 0 GGAELN C[NH+](C)c1ccc(NS(=O)(=O)c2ccccc2Br)c(C(=O)[O-])c1 ZINC000547873831 567254231 /nfs/dbraw/zinc/25/42/31/567254231.db2.gz ARJZIMHADBCKFM-UHFFFAOYSA-N 0 2 399.266 3.014 10 0 GGAELN CC(C)(C)OCCNC(=O)N=c1ccc(-c2ccc(Br)s2)n[nH]1 ZINC000567670231 567266286 /nfs/dbraw/zinc/26/62/86/567266286.db2.gz FNNHUGOHFJVDLF-UHFFFAOYSA-N 0 2 399.314 3.326 10 0 GGAELN CCc1ccc(S(=O)(=O)Nc2nnc(-c3c[nH]nc3C)s2)cc1CC ZINC000548043742 567276801 /nfs/dbraw/zinc/27/68/01/567276801.db2.gz ZPWQHCHOUIRUIO-UHFFFAOYSA-N 0 2 377.495 3.162 10 0 GGAELN COc1cc(NS(=O)(=O)c2cccnc2C(F)(F)F)c(C)c(OC)c1 ZINC000567783673 567277644 /nfs/dbraw/zinc/27/76/44/567277644.db2.gz JWOYPXDSBRXACJ-UHFFFAOYSA-N 0 2 376.356 3.227 10 0 GGAELN COc1cc(NS(=O)(=O)c2c(F)cccc2Cl)cc(-n2cccn2)c1 ZINC000475840544 567282028 /nfs/dbraw/zinc/28/20/28/567282028.db2.gz YTESGSQXUNPWOS-UHFFFAOYSA-N 0 2 381.816 3.474 10 0 GGAELN CCn1nccc1S(=O)(=O)Nc1ccc(C(F)(F)F)c(Br)c1 ZINC000526044206 567284276 /nfs/dbraw/zinc/28/42/76/567284276.db2.gz YEVYTVSENZOXDI-UHFFFAOYSA-N 0 2 398.204 3.485 10 0 GGAELN O=C([C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000567958112 567293304 /nfs/dbraw/zinc/29/33/04/567293304.db2.gz YUKULLYBUGUVJA-NWDGAFQWSA-N 0 2 381.263 3.327 10 0 GGAELN CC(=O)Nc1cc(F)c(S(=O)(=O)NC2(C3(C)CC3)CC2)c(F)c1Cl ZINC000568028608 567297727 /nfs/dbraw/zinc/29/77/27/567297727.db2.gz URYXMNLRMPPINR-UHFFFAOYSA-N 0 2 378.828 3.188 10 0 GGAELN Cc1cc(S(=O)(=O)Nc2cc([C@H]3CCCO3)[nH]n2)ccc1Br ZINC000568197413 567312609 /nfs/dbraw/zinc/31/26/09/567312609.db2.gz PUPCOTSQELTIAE-CYBMUJFWSA-N 0 2 386.271 3.133 10 0 GGAELN CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)Nc2ccc3oc(C)nc3c2)s1 ZINC000617466782 567312601 /nfs/dbraw/zinc/31/26/01/567312601.db2.gz PCZCYGRSBRXMOT-VIFPVBQESA-N 0 2 379.463 3.196 10 0 GGAELN O=C(Cc1ccc(Br)cc1O)N=c1nc(-c2ccsc2)[nH]s1 ZINC000548402269 567313634 /nfs/dbraw/zinc/31/36/34/567313634.db2.gz NKRCKZHYPXBICN-UHFFFAOYSA-N 0 2 396.291 3.338 10 0 GGAELN CC(C)(C)n1cnc(NS(=O)(=O)c2ccc(Cl)cc2Br)n1 ZINC000500460921 567324123 /nfs/dbraw/zinc/32/41/23/567324123.db2.gz LDDDZCSTPVLPSH-UHFFFAOYSA-N 0 2 393.694 3.250 10 0 GGAELN O=C(c1cc(Br)c(F)cc1O)N1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000456091552 567338483 /nfs/dbraw/zinc/33/84/83/567338483.db2.gz FQDXUEGXKAKIFY-COLVAYQJSA-N 0 2 386.261 3.450 10 0 GGAELN CCCc1ccc(-c2csc(NC(=O)CSc3n[nH]c(=O)[nH]3)n2)cc1 ZINC000476604499 567338765 /nfs/dbraw/zinc/33/87/65/567338765.db2.gz XJBJTUXQWAKDBC-UHFFFAOYSA-N 0 2 375.479 3.317 10 0 GGAELN CCOC(=O)c1ncc(NS(=O)(=O)c2cc(C)c(F)cc2Cl)s1 ZINC000500759568 567342227 /nfs/dbraw/zinc/34/22/27/567342227.db2.gz SHQAPKLFHZMPBC-UHFFFAOYSA-N 0 2 378.834 3.222 10 0 GGAELN Cc1n[nH]cc1-c1nnc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)s1 ZINC000548698589 567343401 /nfs/dbraw/zinc/34/34/01/567343401.db2.gz GHCRZRIAQCGMBA-UHFFFAOYSA-N 0 2 377.495 3.335 10 0 GGAELN COc1ccc(Br)cc1S(=O)(=O)Nc1ccc2c(c1)ncn2C ZINC000435188278 567346960 /nfs/dbraw/zinc/34/69/60/567346960.db2.gz MSNGBACXXLGWHF-UHFFFAOYSA-N 0 2 396.266 3.145 10 0 GGAELN O=C(N=c1ccc(C2CC2)n[nH]1)N[C@H]1CCOc2c(Br)cccc21 ZINC000548810957 567352289 /nfs/dbraw/zinc/35/22/89/567352289.db2.gz WDCWKTBFUFUGBA-AWEZNQCLSA-N 0 2 389.253 3.184 10 0 GGAELN CCn1cnc(S(=O)(=O)Nc2ncc(Cc3ccc(F)c(F)c3)s2)c1 ZINC000476913342 567357492 /nfs/dbraw/zinc/35/74/92/567357492.db2.gz IPRSUDRVJNMXRK-UHFFFAOYSA-N 0 2 384.433 3.029 10 0 GGAELN CCn1cnc(S(=O)(=O)Nc2nc(C)c(Cc3cccc(C)c3)s2)c1 ZINC000476914108 567357803 /nfs/dbraw/zinc/35/78/03/567357803.db2.gz MAZBNFBACROZAC-UHFFFAOYSA-N 0 2 376.507 3.368 10 0 GGAELN CC[C@@H](NC(=O)N=c1nc(-c2sccc2C)[nH]s1)C(=O)OC(C)(C)C ZINC000568824209 567359633 /nfs/dbraw/zinc/35/96/33/567359633.db2.gz GOKSSHOPRPOZKN-SNVBAGLBSA-N 0 2 382.511 3.239 10 0 GGAELN O=C(CSc1cc(Cl)ccc1Cl)N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000568932414 567368144 /nfs/dbraw/zinc/36/81/44/567368144.db2.gz KEBASJWPMRUSEM-UHFFFAOYSA-N 0 2 387.292 3.315 10 0 GGAELN O=C1COc2cc(NS(=O)(=O)c3c(Cl)cc(F)cc3Cl)ccc2N1 ZINC000435499739 567373064 /nfs/dbraw/zinc/37/30/64/567373064.db2.gz CJLLWJAGZKICMI-UHFFFAOYSA-N 0 2 391.207 3.264 10 0 GGAELN Cc1noc(C)c1NS(=O)(=O)c1cc(Br)cc2cccnc21 ZINC000569028634 567373924 /nfs/dbraw/zinc/37/39/24/567373924.db2.gz OSEUDQGPLVSHCB-UHFFFAOYSA-N 0 2 382.239 3.403 10 0 GGAELN C[C@H]1Cc2cc(S(=O)(=O)Nc3nc4cc(Cl)ccc4n3C)ccc2O1 ZINC000592974856 567375987 /nfs/dbraw/zinc/37/59/87/567375987.db2.gz IVBGONWUJUEIQZ-JTQLQIEISA-N 0 2 377.853 3.351 10 0 GGAELN O=C(N=c1nc(-c2ccsc2)[nH]s1)N1CCC(C2CCOCC2)CC1 ZINC000569068330 567376652 /nfs/dbraw/zinc/37/66/52/567376652.db2.gz GBIOCRRGWDWMQR-UHFFFAOYSA-N 0 2 378.523 3.359 10 0 GGAELN Cc1cc(Br)cc(Cl)c1C(=O)N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000569123231 567380886 /nfs/dbraw/zinc/38/08/86/567380886.db2.gz NEHGDTITQYPVNX-SECBINFHSA-N 0 2 399.676 3.254 10 0 GGAELN Cc1cc(Br)cc(Cl)c1C(=O)N1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000569123242 567381161 /nfs/dbraw/zinc/38/11/61/567381161.db2.gz NEHGDTITQYPVNX-VIFPVBQESA-N 0 2 399.676 3.254 10 0 GGAELN C[C@H](CN=c1[nH]nc(C2CCOCC2)s1)Oc1ccc(Br)cc1 ZINC000549522564 567394836 /nfs/dbraw/zinc/39/48/36/567394836.db2.gz BCDBPJSMJRXVNJ-LLVKDONJSA-N 0 2 398.326 3.496 10 0 GGAELN O=S(=O)(N[C@H](c1nccs1)C(F)(F)F)c1ccc(F)c(F)c1F ZINC000549519937 567394845 /nfs/dbraw/zinc/39/48/45/567394845.db2.gz FLNUMDZNBQRQRK-SECBINFHSA-N 0 2 376.303 3.142 10 0 GGAELN C[C@@H](CN=c1[nH]nc(C2CCOCC2)s1)Oc1ccc(Br)cc1 ZINC000549522565 567395314 /nfs/dbraw/zinc/39/53/14/567395314.db2.gz BCDBPJSMJRXVNJ-NSHDSACASA-N 0 2 398.326 3.496 10 0 GGAELN COc1ccc(Br)cc1CNc1nnc(-c2c[nH]nc2C)s1 ZINC000436147479 567407760 /nfs/dbraw/zinc/40/77/60/567407760.db2.gz DBUHJYSLCUKXAA-UHFFFAOYSA-N 0 2 380.271 3.042 10 0 GGAELN O=S(=O)(Nc1ccc(Br)cc1O)c1cccnc1C(F)(F)F ZINC000569614908 567418711 /nfs/dbraw/zinc/41/87/11/567418711.db2.gz QAUDAEAOOPOMIF-UHFFFAOYSA-N 0 2 397.172 3.369 10 0 GGAELN O=c1[nH]nc(C2CCN(c3nc(-c4cc(Cl)cc(Cl)c4)no3)CC2)[nH]1 ZINC000569644328 567420077 /nfs/dbraw/zinc/42/00/77/567420077.db2.gz YGVUVXKMHKINKB-UHFFFAOYSA-N 0 2 381.223 3.251 10 0 GGAELN CC(=O)Nc1cc(F)c(S(=O)(=O)NC[C@@H]2CC[C@@H]3C[C@@H]3C2)c(F)c1Cl ZINC000528447345 567423362 /nfs/dbraw/zinc/42/33/62/567423362.db2.gz DNESBEJTTWQXNU-MXWKQRLJSA-N 0 2 392.855 3.291 10 0 GGAELN CO[C@@H](CS(=O)(=O)Nc1cc(-c2cc3ccccc3s2)[nH]n1)C1CC1 ZINC000569693177 567423728 /nfs/dbraw/zinc/42/37/28/567423728.db2.gz ASNIHMVVUQJWQK-AWEZNQCLSA-N 0 2 377.491 3.458 10 0 GGAELN CCOc1ccncc1S(=O)(=O)Nc1ccc(-n2cccn2)c(Cl)c1 ZINC000436479604 567426736 /nfs/dbraw/zinc/42/67/36/567426736.db2.gz WNCYLZAENKYOKQ-UHFFFAOYSA-N 0 2 378.841 3.120 10 0 GGAELN CCOc1ccncc1S(=O)(=O)Nc1ccc(Sc2nncs2)cc1 ZINC000436479831 567427213 /nfs/dbraw/zinc/42/72/13/567427213.db2.gz XTSUGDWEBZZQEA-UHFFFAOYSA-N 0 2 394.503 3.284 10 0 GGAELN CCOc1ccncc1S(=O)(=O)Nc1ccccc1OCC(F)(F)F ZINC000436476483 567427243 /nfs/dbraw/zinc/42/72/43/567427243.db2.gz FWHSGNPCPQDDLJ-UHFFFAOYSA-N 0 2 376.356 3.222 10 0 GGAELN CCOc1ccncc1S(=O)(=O)Nc1cc(Br)c(F)cc1C ZINC000436480253 567427288 /nfs/dbraw/zinc/42/72/88/567427288.db2.gz ZDMKPIMXCGPATC-UHFFFAOYSA-N 0 2 389.246 3.491 10 0 GGAELN CC[C@](C)(NC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1)C1CC1 ZINC000618956562 567427924 /nfs/dbraw/zinc/42/79/24/567427924.db2.gz PANQHQSBPTYACV-KRWDZBQOSA-N 0 2 379.507 3.252 10 0 GGAELN CC(C)[C@@H](C)CNC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1O ZINC000436534178 567431726 /nfs/dbraw/zinc/43/17/26/567431726.db2.gz ZXYZKJKOMLFCTQ-LBPRGKRZSA-N 0 2 382.507 3.276 10 0 GGAELN COC(=O)c1ccc(S(=O)(=O)Nc2ccc3cccc(Cl)c3n2)cc1 ZINC000502491800 567438407 /nfs/dbraw/zinc/43/84/07/567438407.db2.gz LQJWQHBOERMRDJ-UHFFFAOYSA-N 0 2 376.821 3.476 10 0 GGAELN CS(=O)(=O)c1ccc(CNC(=O)c2cc(F)c(O)c(Cl)c2)cc1Cl ZINC000436619103 567438948 /nfs/dbraw/zinc/43/89/48/567438948.db2.gz UVPBMDSJSLVJIB-UHFFFAOYSA-N 0 2 392.235 3.172 10 0 GGAELN COc1cccc(C(=O)Nc2nc(-c3ccc(Br)cc3)n[nH]2)c1O ZINC000436673706 567442532 /nfs/dbraw/zinc/44/25/32/567442532.db2.gz GDEADBKDRPFXNU-UHFFFAOYSA-N 0 2 389.209 3.201 10 0 GGAELN Cc1nn(C)c(C)c1CCNC(=O)c1cc(Br)cc(Cl)c1O ZINC000436672980 567442979 /nfs/dbraw/zinc/44/29/79/567442979.db2.gz HTOCGDKDEIUFPP-UHFFFAOYSA-N 0 2 386.677 3.131 10 0 GGAELN O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)[C@@H]1CCCC12CC2 ZINC000528771146 567454644 /nfs/dbraw/zinc/45/46/44/567454644.db2.gz RNUKRZXDWKDZEK-AWEZNQCLSA-N 0 2 377.491 3.463 10 0 GGAELN O=C(c1cc(F)c(O)c(F)c1)N(CCO)Cc1cc(Br)cs1 ZINC000436817842 567454760 /nfs/dbraw/zinc/45/47/60/567454760.db2.gz ISHLGPYFQAVGAX-UHFFFAOYSA-N 0 2 392.221 3.129 10 0 GGAELN O=S(=O)(Nc1nnc(C2CC2)o1)c1cc(Br)cc2cccnc21 ZINC000570123733 567460269 /nfs/dbraw/zinc/46/02/69/567460269.db2.gz TTWLGZYNMZCNEA-UHFFFAOYSA-N 0 2 395.238 3.059 10 0 GGAELN O=C(NCc1nc2cc(Br)cnc2[nH]1)c1cc(F)c(O)c(Cl)c1 ZINC000436907201 567464277 /nfs/dbraw/zinc/46/42/77/567464277.db2.gz RRNDLUJSBBOZTK-UHFFFAOYSA-N 0 2 399.607 3.149 10 0 GGAELN O=C(N[C@@H](CO)c1cccc(Br)c1)c1cc(F)cc(Cl)c1O ZINC000436899566 567464495 /nfs/dbraw/zinc/46/44/95/567464495.db2.gz KOKCFHAETUZLDU-ZDUSSCGKSA-N 0 2 388.620 3.411 10 0 GGAELN COC(=O)CCCCCNC(=O)c1cc(Cl)cc(Br)c1O ZINC000436920176 567466595 /nfs/dbraw/zinc/46/65/95/567466595.db2.gz FSQHWTYCGVSZLH-UHFFFAOYSA-N 0 2 378.650 3.271 10 0 GGAELN O=S(=O)(Nc1cnc(CC2CC2)nc1)c1ccc(F)c(Br)c1 ZINC000551051493 567475221 /nfs/dbraw/zinc/47/52/21/567475221.db2.gz IVKVOZXXMDDNIL-UHFFFAOYSA-N 0 2 386.246 3.132 10 0 GGAELN CC(C)(C)c1nc(=NC(=O)c2cc(Br)cc3nc[nH]c32)s[nH]1 ZINC000503284792 567478667 /nfs/dbraw/zinc/47/86/67/567478667.db2.gz ITLXMANWDTYWDB-UHFFFAOYSA-N 0 2 380.271 3.149 10 0 GGAELN CC(C)(C)c1nc(=NC(=O)c2cc(Br)cc3[nH]cnc32)s[nH]1 ZINC000503284792 567478672 /nfs/dbraw/zinc/47/86/72/567478672.db2.gz ITLXMANWDTYWDB-UHFFFAOYSA-N 0 2 380.271 3.149 10 0 GGAELN O=C1C[C@@H](c2cccc(NS(=O)(=O)c3c(Cl)ccc(F)c3F)c2)CN1 ZINC000551108990 567480064 /nfs/dbraw/zinc/48/00/64/567480064.db2.gz INFDMGQQKYCDRC-SNVBAGLBSA-N 0 2 386.807 3.023 10 0 GGAELN CCCCCc1nnc(NS(=O)(=O)c2ccc(C(=O)OC)cc2C)s1 ZINC000437185453 567481346 /nfs/dbraw/zinc/48/13/46/567481346.db2.gz RRLMNFMOPKLKJJ-UHFFFAOYSA-N 0 2 383.495 3.167 10 0 GGAELN O=C(c1cc(Br)c(F)cc1O)N1CCOC(C2CC2)(C2CC2)C1 ZINC000619945652 567487924 /nfs/dbraw/zinc/48/79/24/567487924.db2.gz SBDFECWJJRHNGQ-UHFFFAOYSA-N 0 2 384.245 3.325 10 0 GGAELN CC(=O)N1CCc2ccc(S(=O)(=O)Nc3cc(Cl)c(Cl)cn3)cc21 ZINC000437304507 567489176 /nfs/dbraw/zinc/48/91/76/567489176.db2.gz LZVFUJXALZHBFR-UHFFFAOYSA-N 0 2 386.260 3.098 10 0 GGAELN O=C(N=c1nc(-c2ccsc2)[nH]s1)N1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000570488551 567489612 /nfs/dbraw/zinc/48/96/12/567489612.db2.gz DMNHHKBIFKXPOS-LLVKDONJSA-N 0 2 380.886 3.017 10 0 GGAELN CCOc1ccc(NS(=O)(=O)c2cc(OC)c(OC)cc2Cl)nc1C ZINC000663300187 567493368 /nfs/dbraw/zinc/49/33/68/567493368.db2.gz ILELMJIFLWAPCH-UHFFFAOYSA-N 0 2 386.857 3.260 10 0 GGAELN COC(=O)c1c(Cl)cccc1NS(=O)(=O)C[C@@H](OC)C1CCCC1 ZINC000594695671 567499749 /nfs/dbraw/zinc/49/97/49/567499749.db2.gz FGENGNDJJJIYFS-CQSZACIVSA-N 0 2 375.874 3.074 10 0 GGAELN CCC[C@@H](C(=O)OCC)n1ccc(NS(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000594703618 567500014 /nfs/dbraw/zinc/50/00/14/567500014.db2.gz ZWYKHKPGZCBXBD-AWEZNQCLSA-N 0 2 385.873 3.242 10 0 GGAELN CCC[C@H](C(=O)OCC)n1ccc(NS(=O)(=O)c2cccc(Cl)c2)n1 ZINC000594702662 567500413 /nfs/dbraw/zinc/50/04/13/567500413.db2.gz RTFUPGFOEAPERR-CQSZACIVSA-N 0 2 385.873 3.242 10 0 GGAELN O=S(=O)(Nc1cnc(CC2CC2)nc1)c1ccc(C(F)(F)F)c(F)c1 ZINC000551404632 567502905 /nfs/dbraw/zinc/50/29/05/567502905.db2.gz GYPKRDNBWODKKM-UHFFFAOYSA-N 0 2 375.347 3.388 10 0 GGAELN Cc1c(Br)cccc1S(=O)(=O)Nc1cnc(CC2CC2)nc1 ZINC000551403107 567503371 /nfs/dbraw/zinc/50/33/71/567503371.db2.gz LDICGVMYYGUVJP-UHFFFAOYSA-N 0 2 382.283 3.301 10 0 GGAELN CCOC(=O)c1cccc(S(=O)(=O)Nc2nnc(CCC(C)C)s2)c1 ZINC000594725715 567503492 /nfs/dbraw/zinc/50/34/92/567503492.db2.gz HBFLFPWJZPFPBB-UHFFFAOYSA-N 0 2 383.495 3.104 10 0 GGAELN CCCc1cc(NS(=O)(=O)c2cc(Br)c(F)cc2C)[nH]n1 ZINC000479124881 567505867 /nfs/dbraw/zinc/50/58/67/567505867.db2.gz CYFIPUWXKUDRMG-UHFFFAOYSA-N 0 2 376.251 3.373 10 0 GGAELN COC[C@](C)(NS(=O)(=O)c1cc(C)c(Br)s1)C(F)(F)F ZINC000479127435 567506485 /nfs/dbraw/zinc/50/64/85/567506485.db2.gz HMROSIRLYNCBRG-VIFPVBQESA-N 0 2 396.250 3.065 10 0 GGAELN COc1ccc(NS(=O)(=O)c2cc(Cl)ccc2F)c(OC)c1OC ZINC000551470782 567508622 /nfs/dbraw/zinc/50/86/22/567508622.db2.gz HCIUSBMOPWWLKM-UHFFFAOYSA-N 0 2 375.805 3.306 10 0 GGAELN Cc1ccsc1-c1nsc(NS(=O)(=O)c2ccc3ncsc3c2)n1 ZINC000479168676 567510981 /nfs/dbraw/zinc/51/09/81/567510981.db2.gz SAPXXQVHKPKNNS-UHFFFAOYSA-N 0 2 394.528 3.407 10 0 GGAELN CCO[C@H](C)c1nc(CN(C)C(=O)N=c2nc(C(C)(C)C)[nH]s2)cs1 ZINC000437952386 567514439 /nfs/dbraw/zinc/51/44/39/567514439.db2.gz JJLOYWUTWXFUHP-SNVBAGLBSA-N 0 2 383.543 3.475 10 0 GGAELN COc1ccc(S(=O)(=O)Nc2cn(C)nc2C(C)C)c(Br)c1 ZINC000479286917 567521755 /nfs/dbraw/zinc/52/17/55/567521755.db2.gz RPANQDMTDMLQIE-UHFFFAOYSA-N 0 2 388.287 3.115 10 0 GGAELN C[C@H](C(=O)Nc1cc(Cl)c(O)c(Cl)c1)N1C(=O)c2ccccc2C1=O ZINC000644050304 567528006 /nfs/dbraw/zinc/52/80/06/567528006.db2.gz GCSPSYDCJGURCL-MRVPVSSYSA-N 0 2 379.199 3.322 10 0 GGAELN CN(C)c1cc(Br)cc(C(=O)N=c2nc(C3(C)CC3)[nH]s2)c1 ZINC000529697457 567540938 /nfs/dbraw/zinc/54/09/38/567540938.db2.gz OSVBKLNWRHNDPY-UHFFFAOYSA-N 0 2 381.299 3.092 10 0 GGAELN COc1cc(Br)c(C(=O)N=c2nc(C3(C)CC3)[nH]s2)cc1OC ZINC000529696726 567540993 /nfs/dbraw/zinc/54/09/93/567540993.db2.gz LJVVBXAPTIYLLS-UHFFFAOYSA-N 0 2 398.282 3.044 10 0 GGAELN Cc1c(I)cccc1C(=O)N=c1nc(C2(C)CC2)[nH]s1 ZINC000529698164 567541834 /nfs/dbraw/zinc/54/18/34/567541834.db2.gz LGRWQLIQBZPUIN-UHFFFAOYSA-N 0 2 399.257 3.177 10 0 GGAELN COc1c(Br)ccc(C)c1C(=O)N=c1nc(C2(C)CC2)[nH]s1 ZINC000529701685 567542008 /nfs/dbraw/zinc/54/20/08/567542008.db2.gz QSWYBWWZNUCYKQ-UHFFFAOYSA-N 0 2 382.283 3.343 10 0 GGAELN CC1(c2nc(=NC(=O)[C@@H]3CCc4cc(Br)ccc43)s[nH]2)CC1 ZINC000529701169 567542103 /nfs/dbraw/zinc/54/21/03/567542103.db2.gz NBCCCJSXMLSWII-GFCCVEGCSA-N 0 2 378.295 3.443 10 0 GGAELN COCCCOc1ccc(Cl)cc1S(=O)(=O)Nc1cc(O)cc(F)c1 ZINC000479523372 567542466 /nfs/dbraw/zinc/54/24/66/567542466.db2.gz FRKIEGFOONIZTE-UHFFFAOYSA-N 0 2 389.832 3.401 10 0 GGAELN O=C(NCc1cc(F)cc(Br)c1)C1=NN(c2ccccc2)CC1=O ZINC000439050496 567563763 /nfs/dbraw/zinc/56/37/63/567563763.db2.gz MUUKDFMWJLPOHZ-UHFFFAOYSA-N 0 2 390.212 3.410 10 0 GGAELN Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)N2CC3CC2(C)C3)cc1 ZINC000621212279 567566404 /nfs/dbraw/zinc/56/64/04/567566404.db2.gz GZLSOTFKYUJNGA-UHFFFAOYSA-N 0 2 376.503 3.482 10 0 GGAELN CCS(=O)(=O)c1ccccc1NS(=O)(=O)c1ccc2nc(C)sc2c1 ZINC000644635032 567568167 /nfs/dbraw/zinc/56/81/67/567568167.db2.gz DGULTGPENJMDDJ-UHFFFAOYSA-N 0 2 396.515 3.199 10 0 GGAELN COc1c(C)cc(Cl)cc1NS(=O)(=O)c1cnc2c(c1)c(C)nn2C ZINC000530146872 567574947 /nfs/dbraw/zinc/57/49/47/567574947.db2.gz TWQGJARDTUSIHX-UHFFFAOYSA-N 0 2 380.857 3.048 10 0 GGAELN CCc1cccnc1NS(=O)(=O)c1cc2c(cc1Cl)N(C(C)=O)CC2 ZINC000530153505 567575793 /nfs/dbraw/zinc/57/57/93/567575793.db2.gz JRAAQWVSZHFVNK-UHFFFAOYSA-N 0 2 379.869 3.007 10 0 GGAELN COc1cccc(OC(F)(F)F)c1S(=O)(=O)Nc1nnc(C(C)C)s1 ZINC000530152171 567576354 /nfs/dbraw/zinc/57/63/54/567576354.db2.gz ATRXNCBJXOQIIJ-UHFFFAOYSA-N 0 2 397.400 3.370 10 0 GGAELN CCc1cnc(NS(=O)(=O)c2c(OC)cccc2OC(F)(F)F)s1 ZINC000530152241 567576749 /nfs/dbraw/zinc/57/67/49/567576749.db2.gz CECWLDYIAKHSMJ-UHFFFAOYSA-N 0 2 382.385 3.414 10 0 GGAELN O=C([O-])[C@H]1Cc2c(Br)cccc2C[N@H+]1Cc1cc(CO)ccc1F ZINC000530166394 567577571 /nfs/dbraw/zinc/57/75/71/567577571.db2.gz PCSCEYQXTIBFNW-QGZVFWFLSA-N 0 2 394.240 3.092 10 0 GGAELN O=C([O-])[C@H]1Cc2c(Br)cccc2C[N@@H+]1Cc1cc(CO)ccc1F ZINC000530166394 567577579 /nfs/dbraw/zinc/57/75/79/567577579.db2.gz PCSCEYQXTIBFNW-QGZVFWFLSA-N 0 2 394.240 3.092 10 0 GGAELN CCn1nc(C)cc1NS(=O)(=O)c1ccc(Cl)cc1Br ZINC000530158668 567578424 /nfs/dbraw/zinc/57/84/24/567578424.db2.gz XUWIXGNNJHMJAK-UHFFFAOYSA-N 0 2 378.679 3.428 10 0 GGAELN O=C([O-])[C@H]1c2ccoc2CC[N@H+]1Cc1nc2cc(Br)ccc2[nH]1 ZINC000530164674 567578576 /nfs/dbraw/zinc/57/85/76/567578576.db2.gz KNFFJFVWWPQGLT-OAHLLOKOSA-N 0 2 376.210 3.102 10 0 GGAELN O=C([O-])[C@H]1c2ccoc2CC[N@@H+]1Cc1nc2cc(Br)ccc2[nH]1 ZINC000530164674 567578582 /nfs/dbraw/zinc/57/85/82/567578582.db2.gz KNFFJFVWWPQGLT-OAHLLOKOSA-N 0 2 376.210 3.102 10 0 GGAELN CCn1nc(C)cc1NS(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000530158580 567578727 /nfs/dbraw/zinc/57/87/27/567578727.db2.gz UYRFFDFVCUKWFP-UHFFFAOYSA-N 0 2 378.679 3.428 10 0 GGAELN Cc1ccsc1-c1nc(=NC(=O)N2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)s[nH]1 ZINC000571754742 567586253 /nfs/dbraw/zinc/58/62/53/567586253.db2.gz VCRXBHRRXRRUMF-XQQFMLRXSA-N 0 2 378.523 3.154 10 0 GGAELN CC[C@@H](C)n1ncc(NS(=O)(=O)c2ccc(C(=O)OC)cc2Cl)c1C ZINC000480222910 567590484 /nfs/dbraw/zinc/59/04/84/567590484.db2.gz WUDOLQJTOUAMBI-SNVBAGLBSA-N 0 2 385.873 3.403 10 0 GGAELN CCn1cc(S(=O)(=O)Nc2ccc(C(F)(F)F)c(Br)c2)cn1 ZINC000530323927 567591949 /nfs/dbraw/zinc/59/19/49/567591949.db2.gz XCOZGHCGAQDQLW-UHFFFAOYSA-N 0 2 398.204 3.485 10 0 GGAELN COc1nn(C)cc1NS(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC000530435891 567602950 /nfs/dbraw/zinc/60/29/50/567602950.db2.gz XEMXLHFJJNEZAW-UHFFFAOYSA-N 0 2 385.873 3.062 10 0 GGAELN CCCN(CCC)S(=O)(=O)Nc1ccc(Cl)cc1C(=O)NCC1CC1 ZINC000530628831 567614766 /nfs/dbraw/zinc/61/47/66/567614766.db2.gz HXNUMUQLONWQLJ-UHFFFAOYSA-N 0 2 387.933 3.259 10 0 GGAELN O=C(NCCCC1CC1)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000530906433 567630766 /nfs/dbraw/zinc/63/07/66/567630766.db2.gz ATCNTKVGLWXDJA-UHFFFAOYSA-N 0 2 380.495 3.256 10 0 GGAELN Cc1csc(-c2nnc(NS(=O)(=O)c3cn4c(n3)CCC[C@H]4C)o2)c1 ZINC000622043099 567633793 /nfs/dbraw/zinc/63/37/93/567633793.db2.gz RQVKEOJYIFUIFR-SNVBAGLBSA-N 0 2 379.467 3.001 10 0 GGAELN CCCN(CCC)S(=O)(=O)Nc1cc(Cl)ccc1C(=O)NC(C)C ZINC000531106127 567640513 /nfs/dbraw/zinc/64/05/13/567640513.db2.gz GULHMRYHSADWOG-UHFFFAOYSA-N 0 2 375.922 3.257 10 0 GGAELN C[C@]1(C(F)F)CN(C(=O)c2cc(Cl)cc(Br)c2O)CCO1 ZINC000622187205 567642660 /nfs/dbraw/zinc/64/26/60/567642660.db2.gz ICHRRPNILLEUOE-CYBMUJFWSA-N 0 2 384.604 3.304 10 0 GGAELN Cc1cnn(C)c1S(=O)(=O)Nc1ncc(Cc2cccc(Cl)c2)s1 ZINC000506821660 567644010 /nfs/dbraw/zinc/64/40/10/567644010.db2.gz QAQMFPVSCFNDFG-UHFFFAOYSA-N 0 2 382.898 3.230 10 0 GGAELN COC(=O)c1ccc(S(=O)(=O)Nc2cc(Cl)ccc2O)cc1Cl ZINC000440825737 567645780 /nfs/dbraw/zinc/64/57/80/567645780.db2.gz RRDYMRMZKAEDIL-UHFFFAOYSA-N 0 2 376.217 3.286 10 0 GGAELN O=C(c1cccc(NS(=O)(=O)c2cccs2)c1)N1CC(CC2CC2)C1 ZINC000622251129 567646468 /nfs/dbraw/zinc/64/64/68/567646468.db2.gz KKVMAIPXAFEGJB-UHFFFAOYSA-N 0 2 376.503 3.421 10 0 GGAELN O=C(COc1ccsc1)Nc1nc(-c2ccc(Br)cc2F)n[nH]1 ZINC000507013967 567654686 /nfs/dbraw/zinc/65/46/86/567654686.db2.gz HAFZYOQIAPTWNT-UHFFFAOYSA-N 0 2 397.229 3.452 10 0 GGAELN CCOC1(C(=O)N=c2ccc(-c3ccc(Br)s3)n[nH]2)CCC1 ZINC000622858115 567660934 /nfs/dbraw/zinc/66/09/34/567660934.db2.gz BNIWJGUXXFUFPY-UHFFFAOYSA-N 0 2 382.283 3.287 10 0 GGAELN CO[C@H]1CC[C@@H](C(=O)N=c2ccc(-c3ccc(Br)s3)n[nH]2)C1 ZINC000622858355 567661316 /nfs/dbraw/zinc/66/13/16/567661316.db2.gz KVHZCMGVAPKMGR-ZJUUUORDSA-N 0 2 382.283 3.143 10 0 GGAELN O=C(COCc1nc2ccccc2s1)N=c1nc(-c2ccsc2)[nH]s1 ZINC000596898456 567662111 /nfs/dbraw/zinc/66/21/11/567662111.db2.gz VWUQITRACCRJIH-UHFFFAOYSA-N 0 2 388.499 3.454 10 0 GGAELN CC1(C)OC[C@@H]2C[C@@]21C(=O)N=c1ccc(-c2ccc(Br)s2)n[nH]1 ZINC000622858568 567662766 /nfs/dbraw/zinc/66/27/66/567662766.db2.gz SRNBBCUCRZHTSB-FVMDXXJSSA-N 0 2 394.294 3.143 10 0 GGAELN O=S(=O)(N[C@H](C1CCCC1)C(F)(F)F)c1cccnc1C(F)(F)F ZINC000553533960 567663009 /nfs/dbraw/zinc/66/30/09/567663009.db2.gz GAGCZRHRLHASSY-SNVBAGLBSA-N 0 2 376.322 3.500 10 0 GGAELN C[C@@H](OC[C@H]1CCCCO1)C(=O)N=c1ccc(-c2ccc(Cl)s2)n[nH]1 ZINC000622929276 567668684 /nfs/dbraw/zinc/66/86/84/567668684.db2.gz JUCZLTKRZKFHAH-VXGBXAGGSA-N 0 2 381.885 3.193 10 0 GGAELN Cc1nn(C)c(C)c1CCC(=O)N=c1ccc(-c2ccc(Cl)s2)n[nH]1 ZINC000622929504 567669022 /nfs/dbraw/zinc/66/90/22/567669022.db2.gz SUYSNDSMOBYULC-UHFFFAOYSA-N 0 2 375.885 3.202 10 0 GGAELN Cc1cc(S(=O)(=O)Nc2ncn(Cc3ccccc3)n2)c(Cl)cc1F ZINC000531603672 567669053 /nfs/dbraw/zinc/66/90/53/567669053.db2.gz JINZCNNXZASOKO-UHFFFAOYSA-N 0 2 380.832 3.228 10 0 GGAELN O=C(N=c1ccc(-c2ccc(Cl)s2)n[nH]1)[C@@H]1CCCN1c1nccs1 ZINC000622929176 567669213 /nfs/dbraw/zinc/66/92/13/567669213.db2.gz GMJRMRRDZQFKCG-NSHDSACASA-N 0 2 391.909 3.344 10 0 GGAELN CCCC(=O)N1CCC[C@@H]1C(=O)N=c1ccc(-c2ccc(Cl)s2)n[nH]1 ZINC000622929615 567669294 /nfs/dbraw/zinc/66/92/94/567669294.db2.gz WQURMPDDCYGWAP-GFCCVEGCSA-N 0 2 378.885 3.010 10 0 GGAELN C[S@](=O)[C@H]1CCC[C@H](NC(=O)N=c2ccc(-c3ccc(Cl)s3)n[nH]2)C1 ZINC000597013346 567671008 /nfs/dbraw/zinc/67/10/08/567671008.db2.gz DQWZGYGKIQEOOX-YBCXYELXSA-N 0 2 398.941 3.092 10 0 GGAELN CC(C)[C@H](NC(=O)N=c1nc(-c2ccsc2)[nH]s1)C(=O)OC(C)(C)C ZINC000460126460 567674308 /nfs/dbraw/zinc/67/43/08/567674308.db2.gz FJNUCKFWCCHKPK-NSHDSACASA-N 0 2 382.511 3.176 10 0 GGAELN C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1sccc1Br ZINC000531705950 567674557 /nfs/dbraw/zinc/67/45/57/567674557.db2.gz DZBFKBPPKHUTOO-OCCSQVGLSA-N 0 2 388.375 3.104 10 0 GGAELN CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@@H]2CC[C@@H]3C[C@@H]3C2)c(F)c1Cl ZINC000645873985 567676840 /nfs/dbraw/zinc/67/68/40/567676840.db2.gz NHNAMDDYUCUUDG-OPRDCNLKSA-N 0 2 378.828 3.044 10 0 GGAELN CC(C)[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)C1 ZINC000531901325 567686454 /nfs/dbraw/zinc/68/64/54/567686454.db2.gz GAZZRHONYHRORS-AWEZNQCLSA-N 0 2 379.507 3.062 10 0 GGAELN O=C(c1cc(Br)cc(Cl)c1O)N1CCO[C@]2(CCSC2)C1 ZINC000573123680 567689428 /nfs/dbraw/zinc/68/94/28/567689428.db2.gz KJTSASLCCNIGIG-CQSZACIVSA-N 0 2 392.702 3.156 10 0 GGAELN CCn1nccc1S(=O)(=O)Nc1cccc2cc(Br)cnc21 ZINC000507596850 567689393 /nfs/dbraw/zinc/68/93/93/567689393.db2.gz BLIBECGGRKGKJN-UHFFFAOYSA-N 0 2 381.255 3.015 10 0 GGAELN CCc1c(NS(=O)(=O)Cc2ccccc2COC)onc1C(F)(F)F ZINC000460569628 567693125 /nfs/dbraw/zinc/69/31/25/567693125.db2.gz CMYZAWDJFCIYGN-UHFFFAOYSA-N 0 2 378.372 3.344 10 0 GGAELN COc1ccc(Br)cc1S(=O)(=O)Nc1ccc(F)cc1O ZINC000481624427 567693486 /nfs/dbraw/zinc/69/34/86/567693486.db2.gz UQKJNZZEILYNQO-UHFFFAOYSA-N 0 2 376.203 3.103 10 0 GGAELN Cc1cccc(S(=O)(=O)[N-]c2c[nH+]c3c(Br)cccn23)c1F ZINC000460646905 567695881 /nfs/dbraw/zinc/69/58/81/567695881.db2.gz FIFCODHYKDYYID-UHFFFAOYSA-N 0 2 384.230 3.345 10 0 GGAELN Cc1cccc(S(=O)(=O)Nc2cnc3c(Br)cccn23)c1F ZINC000460646905 567695883 /nfs/dbraw/zinc/69/58/83/567695883.db2.gz FIFCODHYKDYYID-UHFFFAOYSA-N 0 2 384.230 3.345 10 0 GGAELN CCc1cccc(S(=O)(=O)Nc2cnc3c(Br)cccn23)c1 ZINC000460654561 567697263 /nfs/dbraw/zinc/69/72/63/567697263.db2.gz ZJBCRWUQFGLAEP-UHFFFAOYSA-N 0 2 380.267 3.460 10 0 GGAELN COc1ccc(Br)cc1C1(NC(=O)N=c2cc(C)c(C)n[nH]2)CC1 ZINC000646272548 567702961 /nfs/dbraw/zinc/70/29/61/567702961.db2.gz CLXXBXIEINUUAZ-UHFFFAOYSA-N 0 2 391.269 3.097 10 0 GGAELN C[C@H]1CCCc2nc(S(=O)(=O)Nc3nc(CC(F)(F)F)cs3)cn21 ZINC000573307238 567703741 /nfs/dbraw/zinc/70/37/41/567703741.db2.gz URSOZQHROPIUBS-QMMMGPOBSA-N 0 2 380.417 3.143 10 0 GGAELN COc1cc(C)c(NS(=O)(=O)c2cnccc2C(F)(F)F)cc1OC ZINC000442812665 567709895 /nfs/dbraw/zinc/70/98/95/567709895.db2.gz FJOPMWRHEWKBEF-UHFFFAOYSA-N 0 2 376.356 3.227 10 0 GGAELN CC(C)COc1ccc(NS(=O)(=O)c2cnccc2C(F)(F)F)cn1 ZINC000442820794 567710001 /nfs/dbraw/zinc/71/00/01/567710001.db2.gz TYYNWQXXMNDWFG-UHFFFAOYSA-N 0 2 375.372 3.331 10 0 GGAELN Cc1ccsc1-c1nc(=NC(=O)N2CC3(C[C@@H]2C)CCOCC3)s[nH]1 ZINC000646363667 567712355 /nfs/dbraw/zinc/71/23/55/567712355.db2.gz VGGZMLZLFKQVJS-LBPRGKRZSA-N 0 2 378.523 3.420 10 0 GGAELN CO[C@@H]1CCC[C@@H]1[C@@H]1COCC[N@@H+]1Cc1ccc(C(=O)[O-])cc1Br ZINC000573452839 567715125 /nfs/dbraw/zinc/71/51/25/567715125.db2.gz YXJKJFBGHWORSJ-HYVNUMGLSA-N 0 2 398.297 3.163 10 0 GGAELN CO[C@@H]1CCC[C@@H]1[C@@H]1COCC[N@H+]1Cc1ccc(C(=O)[O-])cc1Br ZINC000573452839 567715127 /nfs/dbraw/zinc/71/51/27/567715127.db2.gz YXJKJFBGHWORSJ-HYVNUMGLSA-N 0 2 398.297 3.163 10 0 GGAELN Cc1cc(NC(=O)CNC(=O)c2c(O)cc(F)cc2F)ccc1Br ZINC000623493265 567716014 /nfs/dbraw/zinc/71/60/14/567716014.db2.gz KTPZTJNQWSPVIF-UHFFFAOYSA-N 0 2 399.191 3.110 10 0 GGAELN C[N@@H+]1CC[C@@H]([NH2+]Cc2cc(C(F)(F)F)cc(S(C)(=O)=O)c2)CC1(C)C ZINC000623516722 567717793 /nfs/dbraw/zinc/71/77/93/567717793.db2.gz BYSOKXXUZHXMHS-CQSZACIVSA-N 0 2 378.460 3.071 10 0 GGAELN CC(=O)c1cc(F)c(NC(=O)c2cc(S(C)(=O)=O)cs2)c(F)c1F ZINC000461087519 567719460 /nfs/dbraw/zinc/71/94/60/567719460.db2.gz IYWZFQVHYUPPPR-UHFFFAOYSA-N 0 2 377.365 3.024 10 0 GGAELN CC(C)[C@H](NS(=O)(=O)CCc1ccccc1Br)C(F)(F)F ZINC000461110845 567721186 /nfs/dbraw/zinc/72/11/86/567721186.db2.gz XCMLGOSPKYYPTN-LBPRGKRZSA-N 0 2 388.249 3.498 10 0 GGAELN CCc1ncc(S(=O)(=O)N[C@]2(C(F)(F)F)CCc3ccccc32)s1 ZINC000461110158 567721316 /nfs/dbraw/zinc/72/13/16/567721316.db2.gz GHMJNEHSMQTEDG-CQSZACIVSA-N 0 2 376.425 3.388 10 0 GGAELN COCCc1ccc(S(=O)(=O)Nc2csc(-c3ccccn3)n2)cc1 ZINC000508093126 567729182 /nfs/dbraw/zinc/72/91/82/567729182.db2.gz CWSSCCRUPCWGHM-UHFFFAOYSA-N 0 2 375.475 3.195 10 0 GGAELN CCn1nccc1S(=O)(=O)Nc1nc2c(cccc2Br)s1 ZINC000508102974 567730765 /nfs/dbraw/zinc/73/07/65/567730765.db2.gz NXPGOCUGCWYAQT-UHFFFAOYSA-N 0 2 387.284 3.076 10 0 GGAELN COCCc1ccc(S(=O)(=O)Nc2ncc(-c3cccnc3)s2)cc1 ZINC000508131500 567732807 /nfs/dbraw/zinc/73/28/07/567732807.db2.gz LABDJVBTLQDMAH-UHFFFAOYSA-N 0 2 375.475 3.195 10 0 GGAELN Cn1nc2c(c1NS(=O)(=O)c1cccc(Br)c1Cl)CCC2 ZINC000573738486 567732934 /nfs/dbraw/zinc/73/29/34/567732934.db2.gz NWSSBDDBNMNYNC-UHFFFAOYSA-N 0 2 390.690 3.126 10 0 GGAELN Cc1ccc(Cl)c2sc(NS(=O)(=O)c3cccc(C(N)=O)c3)nc21 ZINC000508145161 567733342 /nfs/dbraw/zinc/73/33/42/567733342.db2.gz SUXDPCUYMWBQSI-UHFFFAOYSA-N 0 2 381.866 3.158 10 0 GGAELN O=S(=O)(Nc1nnc(-c2ccsc2)s1)c1cnccc1C(F)(F)F ZINC000443142230 567735096 /nfs/dbraw/zinc/73/50/96/567735096.db2.gz OREITBIRSFIQBW-UHFFFAOYSA-N 0 2 392.409 3.481 10 0 GGAELN Cc1ccsc1-c1nc(=NC(=O)c2coc(C3CCOCC3)n2)s[nH]1 ZINC000554672998 567740922 /nfs/dbraw/zinc/74/09/22/567740922.db2.gz ULBXYILERXHJOS-UHFFFAOYSA-N 0 2 376.463 3.131 10 0 GGAELN O=C(Nc1nc(-c2ccc(Br)cc2)n[nH]1)c1onc2c1CCCC2 ZINC000667426111 567746134 /nfs/dbraw/zinc/74/61/34/567746134.db2.gz WLSITVHIUDRRDD-UHFFFAOYSA-N 0 2 388.225 3.353 10 0 GGAELN CCOC(=O)C(C)(C)c1csc(NS(=O)(=O)c2ccc(CC)s2)n1 ZINC000554735528 567746273 /nfs/dbraw/zinc/74/62/73/567746273.db2.gz YRQHYFFLPVNDEW-UHFFFAOYSA-N 0 2 388.536 3.409 10 0 GGAELN O=S(=O)(Nc1cc(C(F)(F)F)[nH]n1)c1ccc(Br)c(F)c1 ZINC000533090282 567751205 /nfs/dbraw/zinc/75/12/05/567751205.db2.gz VXKDTOJCDKFODY-UHFFFAOYSA-N 0 2 388.140 3.131 10 0 GGAELN CC(=O)Nc1ccc(S(=O)(=O)Nc2cnc(C)nc2C2CC2)cc1Cl ZINC000533218508 567759093 /nfs/dbraw/zinc/75/90/93/567759093.db2.gz IRUXASPCJPTXPL-UHFFFAOYSA-N 0 2 380.857 3.075 10 0 GGAELN CO[C@@H](CS(=O)(=O)Nc1ccc(Cl)c2cccnc12)C1CCOCC1 ZINC000647123629 567760725 /nfs/dbraw/zinc/76/07/25/567760725.db2.gz LMROQPDBLAAEHR-INIZCTEOSA-N 0 2 384.885 3.072 10 0 GGAELN Cc1c(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)coc1C(=O)N(C)C ZINC000647122813 567761271 /nfs/dbraw/zinc/76/12/71/567761271.db2.gz YUDCEHYZUGKJJS-UHFFFAOYSA-N 0 2 376.356 3.109 10 0 GGAELN CCOc1ccc(NS(=O)(=O)c2coc(C(=O)N(C)C)c2C)cc1Cl ZINC000647124518 567761464 /nfs/dbraw/zinc/76/14/64/567761464.db2.gz KOSLLFDXKGZVDP-UHFFFAOYSA-N 0 2 386.857 3.143 10 0 GGAELN Cc1nc2ccc(NS(=O)(=O)c3coc(C(=O)N(C)C)c3C)cc2s1 ZINC000647122370 567761816 /nfs/dbraw/zinc/76/18/16/567761816.db2.gz BXSGGYMHPQPIHD-UHFFFAOYSA-N 0 2 379.463 3.009 10 0 GGAELN CCc1nn(C)cc1NS(=O)(=O)c1ccc2c(Br)cn(C)c2c1 ZINC000647129479 567762745 /nfs/dbraw/zinc/76/27/45/567762745.db2.gz CNAWRZVBSYVZQS-UHFFFAOYSA-N 0 2 397.298 3.038 10 0 GGAELN CC1(C)SC[C@@H]1NC(=O)N=c1ccc(-c2ccc(Br)s2)n[nH]1 ZINC000574222086 567764565 /nfs/dbraw/zinc/76/45/65/567764565.db2.gz XVZGABJAPOFXPP-JTQLQIEISA-N 0 2 399.339 3.405 10 0 GGAELN CCc1nc2ccc(NS(=O)(=O)c3c(C)nn(COC)c3C)cc2s1 ZINC000647136466 567764609 /nfs/dbraw/zinc/76/46/09/567764609.db2.gz OMFCRLVXOJWDSU-UHFFFAOYSA-N 0 2 380.495 3.077 10 0 GGAELN O=C(Nc1cccc([C@@H]2CNC(=O)C2)c1)c1cccc(Br)c1O ZINC000533405766 567769056 /nfs/dbraw/zinc/76/90/56/567769056.db2.gz RGLYPKOENVWNIY-NSHDSACASA-N 0 2 375.222 3.011 10 0 GGAELN CO[C@@H](CS(=O)(=O)Nc1ncc(Cc2cc(F)cc(F)c2)s1)C1CC1 ZINC000647265433 567775162 /nfs/dbraw/zinc/77/51/62/567775162.db2.gz DQZSELILVXUGKN-HNNXBMFYSA-N 0 2 388.461 3.179 10 0 GGAELN CC(C)c1nnc(NS(=O)(=O)c2ccc3c(Br)cn(C)c3c2)o1 ZINC000647272232 567776354 /nfs/dbraw/zinc/77/63/54/567776354.db2.gz FKEFEIHQRCFZJE-UHFFFAOYSA-N 0 2 399.270 3.248 10 0 GGAELN Cn1cc(Br)c2ccc(S(=O)(=O)Nc3nnc(C4CC4)o3)cc21 ZINC000647274054 567776753 /nfs/dbraw/zinc/77/67/53/567776753.db2.gz UDBDRMZNFVLQKX-UHFFFAOYSA-N 0 2 397.254 3.002 10 0 GGAELN COc1ccc(Br)cc1S(=O)(=O)Nc1[nH]nc(C(C)C)c1C ZINC000647279138 567777759 /nfs/dbraw/zinc/77/77/59/567777759.db2.gz QYBZXMGXDMXJCN-UHFFFAOYSA-N 0 2 388.287 3.413 10 0 GGAELN COc1ncc(S(=O)(=O)Nc2nc(CC(F)(F)F)cs2)cc1Cl ZINC000647276795 567777844 /nfs/dbraw/zinc/77/78/44/567777844.db2.gz JEIZIZCEZMBIBN-UHFFFAOYSA-N 0 2 387.792 3.106 10 0 GGAELN CC[C@@H](O)Cc1nc(-c2cc(Br)c(O)c(Br)c2)no1 ZINC000647431024 567785176 /nfs/dbraw/zinc/78/51/76/567785176.db2.gz HKTZLFONYNYHIL-SSDOTTSWSA-N 0 2 392.047 3.281 10 0 GGAELN C[C@H]1CC[N@H+](Cc2ncc(Br)cc2Br)C[C@H]1C(=O)[O-] ZINC000647461759 567787249 /nfs/dbraw/zinc/78/72/49/567787249.db2.gz XKKJVKHUAHEZIG-WCBMZHEXSA-N 0 2 392.091 3.149 10 0 GGAELN C[C@H]1CC[N@@H+](Cc2ncc(Br)cc2Br)C[C@H]1C(=O)[O-] ZINC000647461759 567787254 /nfs/dbraw/zinc/78/72/54/567787254.db2.gz XKKJVKHUAHEZIG-WCBMZHEXSA-N 0 2 392.091 3.149 10 0 GGAELN COc1cc2nc(NS(=O)(=O)c3cccc(Cl)c3C)[nH]c2cc1OC ZINC000534320666 567807294 /nfs/dbraw/zinc/80/72/94/567807294.db2.gz YTPFONBLGDNSSP-UHFFFAOYSA-N 0 2 381.841 3.343 10 0 GGAELN O=C(c1ccc(S(=O)(=O)Nc2nccs2)cc1)N1CCCC12CCC2 ZINC000444624024 567809446 /nfs/dbraw/zinc/80/94/46/567809446.db2.gz VAMXYOBIVCOROE-UHFFFAOYSA-N 0 2 377.491 3.103 10 0 GGAELN CCCCn1c(=O)c(C2=NN[C@@H](c3ccccc3OCC)C2)c(O)[nH]c1=S ZINC000015834801 570272138 /nfs/dbraw/zinc/27/21/38/570272138.db2.gz LSLAGISZJOZDFY-CYBMUJFWSA-N 0 2 388.493 3.249 10 0 GGAELN CCCCn1c(O)c(C2=NN[C@@H](c3ccccc3OCC)C2)c(=O)[nH]c1=S ZINC000015834801 570272140 /nfs/dbraw/zinc/27/21/40/570272140.db2.gz LSLAGISZJOZDFY-CYBMUJFWSA-N 0 2 388.493 3.249 10 0 GGAELN O=C(CCc1nnc(-c2cccc(OCC3CC3)c2)[nH]c1=O)NC1CCCCC1 ZINC000034765410 570333486 /nfs/dbraw/zinc/33/34/86/570333486.db2.gz IRNQTVUOFJWRRV-UHFFFAOYSA-N 0 2 396.491 3.415 10 0 GGAELN O=C(CCc1nnc(-c2cccc(Cl)c2)[nH]c1=O)NCc1ccc(F)cc1 ZINC000034767941 570333690 /nfs/dbraw/zinc/33/36/90/570333690.db2.gz SPXYSNKAAAZBKV-UHFFFAOYSA-N 0 2 386.814 3.286 10 0 GGAELN CC(C)(C)c1cc(C[N@@H+]2CCc3nc(-c4ccc(C(=O)[O-])cc4)[nH]c3C2)[nH]n1 ZINC000218725234 570339589 /nfs/dbraw/zinc/33/95/89/570339589.db2.gz MXKYLWDEKHMPRK-UHFFFAOYSA-N 0 2 379.464 3.354 10 0 GGAELN CC(C)(C)c1cc(C[N@H+]2CCc3nc(-c4ccc(C(=O)[O-])cc4)[nH]c3C2)[nH]n1 ZINC000218725234 570339592 /nfs/dbraw/zinc/33/95/92/570339592.db2.gz MXKYLWDEKHMPRK-UHFFFAOYSA-N 0 2 379.464 3.354 10 0 GGAELN CCCCCn1c(=O)c2ccc(C(=O)NCCCn3cc[nH+]c3)cc2[n-]c1=S ZINC000008659798 570763814 /nfs/dbraw/zinc/76/38/14/570763814.db2.gz FQLTYJKHFXNXFU-UHFFFAOYSA-N 0 2 399.520 3.266 10 0 GGAELN CCCCCn1c(=O)c2ccc(C(=O)NCCCn3ccnc3)cc2[nH]c1=S ZINC000008659798 570763818 /nfs/dbraw/zinc/76/38/18/570763818.db2.gz FQLTYJKHFXNXFU-UHFFFAOYSA-N 0 2 399.520 3.266 10 0 GGAELN Cc1ccc(C(=O)N(Cc2nn3c(nc(C)cc3=O)[nH]2)c2ccc(C)cc2)cc1 ZINC000101583099 570826865 /nfs/dbraw/zinc/82/68/65/570826865.db2.gz PBDFNBWTKRBSQI-UHFFFAOYSA-N 0 2 387.443 3.190 10 0 GGAELN Cn1c(O)c(C2=Nc3ccccc3S[C@@H](c3ccccc3)C2)c(=O)n(C)c1=O ZINC000101766285 570831393 /nfs/dbraw/zinc/83/13/93/570831393.db2.gz SCJSCTLIRYKGPL-QGZVFWFLSA-N 0 2 393.468 3.148 10 0 GGAELN Cc1ccc(Cc2c(C)nc3[nH]c(CN4CCc5ccccc5C4)nn3c2=O)cc1 ZINC000101802890 570835136 /nfs/dbraw/zinc/83/51/36/570835136.db2.gz ICBSFTSQMKDGJI-UHFFFAOYSA-N 0 2 399.498 3.184 10 0 GGAELN Cc1ccc(Cc2c(C)nc3[n-]c(C[N@@H+]4CCc5ccccc5C4)nn3c2=O)cc1 ZINC000101802890 570835139 /nfs/dbraw/zinc/83/51/39/570835139.db2.gz ICBSFTSQMKDGJI-UHFFFAOYSA-N 0 2 399.498 3.184 10 0 GGAELN Cc1ccc(Cc2c(C)nc3[n-]c(C[N@H+]4CCc5ccccc5C4)nn3c2=O)cc1 ZINC000101802890 570835142 /nfs/dbraw/zinc/83/51/42/570835142.db2.gz ICBSFTSQMKDGJI-UHFFFAOYSA-N 0 2 399.498 3.184 10 0 GGAELN COc1ccc(NCc2nn3c(nc(C)c(Cc4ccc(C)cc4)c3=O)[nH]2)cc1 ZINC000101803000 570835406 /nfs/dbraw/zinc/83/54/06/570835406.db2.gz RQGQVRXTPMAEAN-UHFFFAOYSA-N 0 2 389.459 3.246 10 0 GGAELN Cc1ccc(C(=O)N(Cc2nn3c(nc(C)cc3=O)[nH]2)c2cccc(C)c2)cc1 ZINC000101802219 570835473 /nfs/dbraw/zinc/83/54/73/570835473.db2.gz SBYRCDUFCCLIGN-UHFFFAOYSA-N 0 2 387.443 3.190 10 0 GGAELN Cc1[nH]n(-c2nc(-c3ccc(C)cc3)cs2)c(=O)c1CC(=O)N1CCCC1 ZINC000101831227 570836393 /nfs/dbraw/zinc/83/63/93/570836393.db2.gz XGSMWKMPBJNCBW-UHFFFAOYSA-N 0 2 382.489 3.483 10 0 GGAELN O=C([O-])C[C@@H](Cc1c[nH+]c[nH]1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000675079824 570912071 /nfs/dbraw/zinc/91/20/71/570912071.db2.gz YAYSNUSQWOLPMU-CQSZACIVSA-N 0 2 391.427 3.334 10 0 GGAELN O=C([O-])C[C@@H](Cc1c[nH]c[nH+]1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000675079824 570912074 /nfs/dbraw/zinc/91/20/74/570912074.db2.gz YAYSNUSQWOLPMU-CQSZACIVSA-N 0 2 391.427 3.334 10 0 GGAELN Cc1cc(C)cc(-c2cc(NS(=O)(=O)c3ccc4c(c3)CCC(=O)N4)[nH]n2)c1 ZINC000084085989 570996550 /nfs/dbraw/zinc/99/65/50/570996550.db2.gz ISSXCJCLTOQGRZ-UHFFFAOYSA-N 0 2 396.472 3.379 10 0 GGAELN COc1ccc(NC(=O)CC2SC(N3CCC[C@@H](C)C3)=NC2=O)cc1Cl ZINC000055117715 1406889722 /nfs/dbraw/zinc/88/97/22/1406889722.db2.gz HOGRPWGURUQKTI-IAQYHMDHSA-N 0 2 395.912 3.407 10 0 GGAELN COc1ccc(CNC(=O)CCCn2c(=O)c3sccc3[nH]c2=S)cc1 ZINC000002925426 1398321723 /nfs/dbraw/zinc/32/17/23/1398321723.db2.gz WQTCIIDRHWVYJW-UHFFFAOYSA-N 0 2 389.502 3.226 10 0 GGAELN COCCn1c(=O)c2ccc(C(=O)N[C@H]3CCCC[C@H]3C)cc2[nH]c1=S ZINC000003043558 1398325751 /nfs/dbraw/zinc/32/57/51/1398325751.db2.gz FTTACITXMGIRKE-DOMZBBRYSA-N 0 2 375.494 3.014 10 0 GGAELN O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)[nH]c(=S)n(C1CCCCC1)c2=O ZINC000003631070 1398375194 /nfs/dbraw/zinc/37/51/94/1398375194.db2.gz UAVXVXNATLSGOQ-HNNXBMFYSA-N 0 2 387.505 3.473 10 0 GGAELN CS(=O)(=O)c1ccccc1S(=O)(=O)Nc1cccc(OC2CCCC2)c1 ZINC000028260854 1400145127 /nfs/dbraw/zinc/14/51/27/1400145127.db2.gz UGANIUDBXVJUOD-UHFFFAOYSA-N 0 2 395.502 3.212 10 0 GGAELN Cn1nccc1NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC000044594012 1403959077 /nfs/dbraw/zinc/95/90/77/1403959077.db2.gz VSCCNLLPHBJQLW-UHFFFAOYSA-N 0 2 385.070 3.290 10 0 GGAELN CS(=O)(=O)Nc1ccccc1NC(=O)c1cc(-c2cccc(Cl)c2)n[nH]1 ZINC000046456315 1404423840 /nfs/dbraw/zinc/42/38/40/1404423840.db2.gz BNUIUXSSCCHVID-UHFFFAOYSA-N 0 2 390.852 3.354 10 0 GGAELN O=S(=O)(Nc1cccc(I)c1)c1cnccc1Cl ZINC000071203521 1409822941 /nfs/dbraw/zinc/82/29/41/1409822941.db2.gz XKIVOGNHXLWMMF-UHFFFAOYSA-N 0 2 394.621 3.140 10 0 GGAELN CCOC(=O)c1cnn2ccc(NS(=O)(=O)c3ccc(Cl)s3)cc12 ZINC000090653922 1410066054 /nfs/dbraw/zinc/06/60/54/1410066054.db2.gz JYMOCQJKHSPGOD-UHFFFAOYSA-N 0 2 385.854 3.027 10 0 GGAELN COc1ccc(Cl)cc1NS(=O)(=O)c1c(C)[nH]c(C)c1-c1nc(C)no1 ZINC000096379760 1410329653 /nfs/dbraw/zinc/32/96/53/1410329653.db2.gz YNMYAAFNNVFVHG-UHFFFAOYSA-N 0 2 396.856 3.453 10 0 GGAELN COc1ccc(NS(=O)(=O)c2cccnc2Cl)cc1Br ZINC000096487756 1410332024 /nfs/dbraw/zinc/33/20/24/1410332024.db2.gz VCGWNJRMYRWSPP-UHFFFAOYSA-N 0 2 377.647 3.307 10 0 GGAELN CCn1cc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)cn1 ZINC000109423372 1411759306 /nfs/dbraw/zinc/75/93/06/1411759306.db2.gz FUHUFJKEPGZSGY-UHFFFAOYSA-N 0 2 388.415 3.323 10 0 GGAELN COc1ccc(Br)cc1S(=O)(=O)Nc1ccc(Cl)nc1 ZINC000112798596 1412218675 /nfs/dbraw/zinc/21/86/75/1412218675.db2.gz FJTHSIXPDVXSCS-UHFFFAOYSA-N 0 2 377.647 3.307 10 0 GGAELN Cc1nn(C)c(Cl)c1S(=O)(=O)N[C@@H](c1ccc(F)cc1)C(F)(F)F ZINC000118435536 1413161191 /nfs/dbraw/zinc/16/11/91/1413161191.db2.gz IPCRHUNWPQSUHC-NSHDSACASA-N 0 2 385.770 3.103 10 0 GGAELN CC(C)[NH+]1CCN(c2ccc(C(=O)N3CC[C@H](C)[C@@H](n4cc[nH+]c4)C3)cc2)CC1 ZINC000123407482 1414721232 /nfs/dbraw/zinc/72/12/32/1414721232.db2.gz CTDPOZHFPCWLHQ-UGKGYDQZSA-N 0 2 395.551 3.137 10 0 GGAELN COc1ccc(Cn2nccc2NS(=O)(=O)c2ccc(F)cc2C)cc1 ZINC000123661831 1414805580 /nfs/dbraw/zinc/80/55/80/1414805580.db2.gz PPQRMLOZHYXPRU-UHFFFAOYSA-N 0 2 375.425 3.188 10 0 GGAELN CC1(C)CO[C@H](c2cccc(F)c2)CN1C(=O)c1cccc(Nc2nn[nH]n2)c1 ZINC000912511879 1428877989 /nfs/dbraw/zinc/87/79/89/1428877989.db2.gz WECDMUMUDSRXGU-KRWDZBQOSA-N 0 2 396.426 3.075 10 0 GGAELN Cc1coc(NS(=O)(=O)c2ccc(Br)cc2Br)n1 ZINC000127134236 1415667563 /nfs/dbraw/zinc/66/75/63/1415667563.db2.gz UGPUQEJMCOWOJE-UHFFFAOYSA-N 0 2 396.060 3.309 10 0 GGAELN CC(C)C[C@H](C)Oc1cc(CNC(=O)c2cccc(Nc3nn[nH]n3)c2)ccn1 ZINC001146904594 1428976479 /nfs/dbraw/zinc/97/64/79/1428976479.db2.gz CGDLDKSRZBPWOY-AWEZNQCLSA-N 0 2 395.467 3.082 10 0 GGAELN Cn1nc(C2CCC2)cc1NS(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000128856361 1416085963 /nfs/dbraw/zinc/08/59/63/1416085963.db2.gz LHLBHYHNXMQKRV-UHFFFAOYSA-N 0 2 375.372 3.387 10 0 GGAELN Cc1nnc(NS(=O)(=O)c2ccc(NC(=O)C3C(C)(C)C3(C)C)cc2)s1 ZINC000145708118 1417697574 /nfs/dbraw/zinc/69/75/74/1417697574.db2.gz BHRJTGPSDAKXBD-UHFFFAOYSA-N 0 2 394.522 3.268 10 0 GGAELN Cc1ccc(C)c(N2CCN(C(=O)C3=NN(c4ccccc4)CC3=O)CC2)c1 ZINC000158336069 1424229872 /nfs/dbraw/zinc/22/98/72/1424229872.db2.gz FGGVQVFGUALYID-UHFFFAOYSA-N 0 2 376.460 3.157 10 0 GGAELN CCC(C)(C)NC(=O)c1ccc(NC(=O)c2cccc(Nc3nn[nH]n3)c2)cc1 ZINC001141930076 1424311134 /nfs/dbraw/zinc/31/11/34/1424311134.db2.gz XMOBAGSPIGIITF-UHFFFAOYSA-N 0 2 393.451 3.114 10 0 GGAELN O=C(c1cccc(Nc2nn[nH]n2)c1)N1CCC[C@H](c2ccc(F)c(F)c2)C1 ZINC000912977571 1429716559 /nfs/dbraw/zinc/71/65/59/1429716559.db2.gz JSDQBIHJJUEJBE-AWEZNQCLSA-N 0 2 384.390 3.241 10 0 GGAELN Cc1cccc2c(=O)c(C(=O)N3CCCN(Cc4cscn4)CC3)c[nH]c12 ZINC000163091095 1424938170 /nfs/dbraw/zinc/93/81/70/1424938170.db2.gz GFQBPJJUGXITNI-UHFFFAOYSA-N 0 2 382.489 3.053 10 0 GGAELN O=C(NC1(c2ccc(Cl)cc2)CCOCC1)c1cccc(Nc2nn[nH]n2)c1 ZINC001143153673 1425754794 /nfs/dbraw/zinc/75/47/94/1425754794.db2.gz UCQPRYFBUAVTRQ-UHFFFAOYSA-N 0 2 398.854 3.032 10 0 GGAELN CC1CCC(OC2CCN(C(=O)c3cccc(Nc4nn[nH]n4)c3)CC2)CC1 ZINC000900629624 1425807362 /nfs/dbraw/zinc/80/73/62/1425807362.db2.gz LGMBTJDZVODLGD-UHFFFAOYSA-N 0 2 384.484 3.143 10 0 GGAELN Cc1ccc(NC(=O)c2cccc(Nc3nn[nH]n3)c2)cc1NC(=O)C(C)(C)C ZINC001136756001 1427312024 /nfs/dbraw/zinc/31/20/24/1427312024.db2.gz PPWRCHQBCZSTNO-UHFFFAOYSA-N 0 2 393.451 3.489 10 0 GGAELN Cc1cc(S(=O)(=O)Nc2ccc3nnc(C4CCC4)n3c2)cnc1Cl ZINC000188238590 1431864620 /nfs/dbraw/zinc/86/46/20/1431864620.db2.gz IAXWNPIDKQELPL-UHFFFAOYSA-N 0 2 377.857 3.154 10 0 GGAELN O=C(NCC[C@H]1C(=O)Nc2ccccc21)C1=NN(c2ccc(Cl)cc2)CC1=O ZINC000193709005 1433044587 /nfs/dbraw/zinc/04/45/87/1433044587.db2.gz DUFDYGLOTPYSKB-OAHLLOKOSA-N 0 2 396.834 3.087 10 0 GGAELN Cc1cc(Br)c(F)cc1NS(=O)(=O)c1cnc(Cl)nc1 ZINC000224345472 1433366722 /nfs/dbraw/zinc/36/67/22/1433366722.db2.gz XBIXPNTVJOIUDS-UHFFFAOYSA-N 0 2 380.626 3.141 10 0 GGAELN CC[S@](=O)[C@H]1CCC[C@@H](NC(=O)C2=NN(c3ccc(Cl)cc3)CC2=O)C1 ZINC000248672099 1433814628 /nfs/dbraw/zinc/81/46/28/1433814628.db2.gz FPWMCYAFNHTNKI-YBKWPNDMSA-N 0 2 395.912 3.041 10 0 GGAELN Cc1cccc(CN(Cc2ccccn2)C(=O)c2cccc(Nc3nn[nH]n3)c2)c1 ZINC001143838262 1442186724 /nfs/dbraw/zinc/18/67/24/1442186724.db2.gz CGTVKLWSMZHDOR-UHFFFAOYSA-N 0 2 399.458 3.489 10 0 GGAELN Cc1ccc(C[C@@H]2CCCN(C(=O)c3cccc(Nc4nn[nH]n4)c3)C2)cc1 ZINC001136495020 1446090137 /nfs/dbraw/zinc/09/01/37/1446090137.db2.gz UWUDDNDGHDTZCL-KRWDZBQOSA-N 0 2 376.464 3.347 10 0 GGAELN O=C(N[C@H](c1ccc(F)cc1)C(F)(F)F)c1cccc(Nc2nn[nH]n2)c1 ZINC001140088683 1446908929 /nfs/dbraw/zinc/90/89/29/1446908929.db2.gz GSKGKCDWOFGGRA-CYBMUJFWSA-N 0 2 380.305 3.116 10 0 GGAELN CC[C@H](NC(=O)c1cccc(Nc2nn[nH]n2)c1)c1ccccc1OC(F)F ZINC001141540317 1447145185 /nfs/dbraw/zinc/14/51/85/1447145185.db2.gz JJIMACRPLOGXMY-AWEZNQCLSA-N 0 2 388.378 3.426 10 0 GGAELN CN(C(=O)c1cccc(Nc2nn[nH]n2)c1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000907363464 1449254637 /nfs/dbraw/zinc/25/46/37/1449254637.db2.gz PNRPFMLVSQZNGO-ZWKOTPCHSA-N 0 2 396.426 3.075 10 0 GGAELN COc1ccc(C2(NC(=O)c3cccc(Nc4nn[nH]n4)c3)CCCC2)cc1 ZINC001142825127 1449318654 /nfs/dbraw/zinc/31/86/54/1449318654.db2.gz YHJSTUBJLWGVCF-UHFFFAOYSA-N 0 2 378.436 3.151 10 0 GGAELN Cc1ccc(C)c(OC2CCN(C(=O)c3cccc(Nc4nn[nH]n4)c3)CC2)c1 ZINC000900350779 1449551490 /nfs/dbraw/zinc/55/14/90/1449551490.db2.gz OKFQZODMSPFQQH-UHFFFAOYSA-N 0 2 392.463 3.244 10 0 GGAELN O=C(c1cccc(Nc2nn[nH]n2)c1)N1CCc2c(Cl)cc(Cl)cc2C1 ZINC001137547622 1450226466 /nfs/dbraw/zinc/22/64/66/1450226466.db2.gz IGZSVQZFRNSYDZ-UHFFFAOYSA-N 0 2 389.246 3.449 10 0 GGAELN CC[N@@H+]1CC[C@H](NC(=O)[C@H](C(=O)[O-])C2CCCC2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000663046055 939850883 /nfs/dbraw/zinc/85/08/83/939850883.db2.gz PDEWFNBBAKVXEC-LZLYRXPVSA-N 0 2 398.425 3.246 10 0 GGAELN CC[N@H+]1CC[C@H](NC(=O)[C@H](C(=O)[O-])C2CCCC2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000663046055 939850884 /nfs/dbraw/zinc/85/08/84/939850884.db2.gz PDEWFNBBAKVXEC-LZLYRXPVSA-N 0 2 398.425 3.246 10 0 GGAELN COc1ccc2c(c1)CCC[C@@]2([NH2+]Cc1cnc([C@@H]2CCCO2)s1)C(=O)[O-] ZINC000580419807 1126098310 /nfs/dbraw/zinc/09/83/10/1126098310.db2.gz DGUAMMNBPIVZGQ-PXNSSMCTSA-N 0 2 388.489 3.409 10 0 GGAELN COc1ccc2c(c1)CCC[C@]2([NH2+]Cc1cnc([C@@H]2CCCO2)s1)C(=O)[O-] ZINC000580419806 1126098380 /nfs/dbraw/zinc/09/83/80/1126098380.db2.gz DGUAMMNBPIVZGQ-FXAWDEMLSA-N 0 2 388.489 3.409 10 0 GGAELN Cc1noc(C)c1S(=O)(=O)Nc1ccc(C(=O)NCc2ccc(C)cc2)cc1 ZINC000004001715 204022654 /nfs/dbraw/zinc/02/26/54/204022654.db2.gz LUGBLZRNMLVFJX-UHFFFAOYSA-N 0 2 399.472 3.331 10 0 GGAELN COc1cc(NS(=O)(=O)c2ccc(-c3cc(C)[nH]n3)s2)cc(OC)c1 ZINC000009686413 204320805 /nfs/dbraw/zinc/32/08/05/204320805.db2.gz BQRWSEBVSMKDEJ-UHFFFAOYSA-N 0 2 379.463 3.265 10 0 GGAELN COC(=O)c1ccc(NS(=O)(=O)c2ccc(-c3n[nH]c(C)c3C)s2)cc1 ZINC000009686851 204321314 /nfs/dbraw/zinc/32/13/14/204321314.db2.gz FSZMDMCMFMETSV-UHFFFAOYSA-N 0 2 391.474 3.342 10 0 GGAELN O=C(OCc1cc(=O)oc2cc(O)c(Cl)cc12)c1cnc2ccccc2n1 ZINC000009742802 204323509 /nfs/dbraw/zinc/32/35/09/204323509.db2.gz YLNILVJNDYCGSO-UHFFFAOYSA-N 0 2 382.759 3.452 10 0 GGAELN Cc1cccc(CNC(=O)CCc2nnc(-c3cccc(Cl)c3)[nH]c2=O)c1 ZINC000040426192 205066068 /nfs/dbraw/zinc/06/60/68/205066068.db2.gz QBJJMKHPHAJICH-UHFFFAOYSA-N 0 2 382.851 3.455 10 0 GGAELN CC(=O)c1ccc(NS(=O)(=O)c2cc(C(=O)N3CCCCC3)cs2)cc1 ZINC000045961591 205099868 /nfs/dbraw/zinc/09/98/68/205099868.db2.gz SAKMWRZMRVKHHX-UHFFFAOYSA-N 0 2 392.502 3.378 10 0 GGAELN COc1cccc(NS(=O)(=O)c2ccc(CC(=O)N3CCCCC3)s2)c1 ZINC000064919692 205200132 /nfs/dbraw/zinc/20/01/32/205200132.db2.gz RYKZRVALRIMKEQ-UHFFFAOYSA-N 0 2 394.518 3.113 10 0 GGAELN Cc1ccccc1NS(=O)(=O)c1ccc(CC(=O)N2CCCCC2)s1 ZINC000064919764 205200488 /nfs/dbraw/zinc/20/04/88/205200488.db2.gz QOTJEQISJIZNCI-UHFFFAOYSA-N 0 2 378.519 3.412 10 0 GGAELN O=C(Cc1ccc(S(=O)(=O)Nc2cccc(F)c2)s1)N1CCCCC1 ZINC000064919716 205200537 /nfs/dbraw/zinc/20/05/37/205200537.db2.gz OEUVUYXCATVRCT-UHFFFAOYSA-N 0 2 382.482 3.243 10 0 GGAELN COc1ccc(C)cc1NS(=O)(=O)c1ccc(CC(=O)N2CCCC2)s1 ZINC000064919677 205200771 /nfs/dbraw/zinc/20/07/71/205200771.db2.gz IBWGBOUTCHIJBE-UHFFFAOYSA-N 0 2 394.518 3.031 10 0 GGAELN CCc1ccccc1NS(=O)(=O)c1ccc(CC(=O)N2CCCC2)s1 ZINC000064919590 205200787 /nfs/dbraw/zinc/20/07/87/205200787.db2.gz NKRYLBAKMUVQTL-UHFFFAOYSA-N 0 2 378.519 3.276 10 0 GGAELN Cc1ccc(NS(=O)(=O)c2ccc(CC(=O)N3CCCC3)s2)cc1C ZINC000064919613 205201095 /nfs/dbraw/zinc/20/10/95/205201095.db2.gz BMLNBMZUSXJQLR-UHFFFAOYSA-N 0 2 378.519 3.331 10 0 GGAELN CCC(=O)N1CCc2sc(S(=O)(=O)Nc3ccc(CC)cc3)cc2C1 ZINC000065196157 205217144 /nfs/dbraw/zinc/21/71/44/205217144.db2.gz LHTGOMIYUQHGDG-UHFFFAOYSA-N 0 2 378.519 3.406 10 0 GGAELN O=c1ccc(-c2csc(S(=O)(=O)Nc3ccc(F)c(Cl)c3)c2)n[nH]1 ZINC000065119384 205211729 /nfs/dbraw/zinc/21/17/29/205211729.db2.gz CXRHAHBPLJZKKS-UHFFFAOYSA-N 0 2 385.829 3.092 10 0 GGAELN Cc1ccc(NS(=O)(=O)c2cc(-c3ccc(=O)n(C)n3)cs2)cc1Cl ZINC000065128890 205211960 /nfs/dbraw/zinc/21/19/60/205211960.db2.gz TZKOPSYHPWTITC-UHFFFAOYSA-N 0 2 395.893 3.271 10 0 GGAELN Cc1cc(C)c(NS(=O)(=O)c2cc(-c3ccc(=O)[nH]n3)cs2)c(C)c1 ZINC000065119353 205212167 /nfs/dbraw/zinc/21/21/67/205212167.db2.gz FAUFFDPIDSIDMQ-UHFFFAOYSA-N 0 2 375.475 3.224 10 0 GGAELN Cc1cc(C)c(NS(=O)(=O)c2cc(-c3ccc(=O)n(C)n3)cs2)c(C)c1 ZINC000065128909 205212209 /nfs/dbraw/zinc/21/22/09/205212209.db2.gz XUXWZMJAQGKARE-UHFFFAOYSA-N 0 2 389.502 3.235 10 0 GGAELN CCC(=O)N1CCc2sc(S(=O)(=O)Nc3cc(C)cc(C)c3)cc2C1 ZINC000065196172 205217254 /nfs/dbraw/zinc/21/72/54/205217254.db2.gz KICCXJQWASDQMJ-UHFFFAOYSA-N 0 2 378.519 3.460 10 0 GGAELN Cc1nn2c(nc(C)c2S(=O)(=O)Nc2cccc(C(F)(F)F)c2)s1 ZINC000065183569 205215532 /nfs/dbraw/zinc/21/55/32/205215532.db2.gz WNNAZYJIIRGJAG-UHFFFAOYSA-N 0 2 376.385 3.227 10 0 GGAELN COc1cc(NS(=O)(=O)c2c(C(C)C)nc3sc(C)nn32)cc(OC)c1 ZINC000065183938 205215674 /nfs/dbraw/zinc/21/56/74/205215674.db2.gz IDWQJALFCYYXBB-UHFFFAOYSA-N 0 2 396.494 3.041 10 0 GGAELN COC(=O)c1ccc(NS(=O)(=O)c2c(C(C)C)nc3sc(C)cn32)cc1 ZINC000065183553 205215686 /nfs/dbraw/zinc/21/56/86/205215686.db2.gz QRLVCYXQDVFGIA-UHFFFAOYSA-N 0 2 393.490 3.415 10 0 GGAELN CCOc1ccc(NS(=O)(=O)c2c(C(C)C)nc3sc(C)nn32)cc1 ZINC000065183941 205215782 /nfs/dbraw/zinc/21/57/82/205215782.db2.gz GQNOVPVHYJHKRH-UHFFFAOYSA-N 0 2 380.495 3.422 10 0 GGAELN CCc1nn2c(nc(C)c2S(=O)(=O)Nc2ccc(OC)c(Cl)c2)s1 ZINC000065183775 205216354 /nfs/dbraw/zinc/21/63/54/205216354.db2.gz XXCLQAGLSBUBHT-UHFFFAOYSA-N 0 2 386.886 3.124 10 0 GGAELN CCc1noc(-c2c(C)n(C)c(C)c2S(=O)(=O)Nc2ccccc2OC)n1 ZINC000065194584 205217585 /nfs/dbraw/zinc/21/75/85/205217585.db2.gz GQXQCZVYHQTRDH-UHFFFAOYSA-N 0 2 390.465 3.064 10 0 GGAELN Cc1ccc(F)cc1NS(=O)(=O)c1cc2c(s1)CCN(C(=O)C1CC1)C2 ZINC000065196248 205218368 /nfs/dbraw/zinc/21/83/68/205218368.db2.gz LYVWCHZZGJWCAZ-UHFFFAOYSA-N 0 2 394.493 3.291 10 0 GGAELN O=C(C1CC1)N1CCc2sc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2C1 ZINC000065196208 205218491 /nfs/dbraw/zinc/21/84/91/205218491.db2.gz SDHYZLAKDVUFAP-UHFFFAOYSA-N 0 2 396.921 3.497 10 0 GGAELN COC(=O)c1ccccc1S(=O)(=O)Nc1cc(-c2cc[nH]n2)sc1C ZINC000096386749 205564835 /nfs/dbraw/zinc/56/48/35/205564835.db2.gz JWHOVVKHPNKXMU-UHFFFAOYSA-N 0 2 377.447 3.034 10 0 GGAELN CC(C)c1cc(NS(=O)(=O)c2ccc(NC(=O)C(F)(F)F)cc2)no1 ZINC000225443898 206048813 /nfs/dbraw/zinc/04/88/13/206048813.db2.gz SWCRLODPWWXNQB-UHFFFAOYSA-N 0 2 377.344 3.100 10 0 GGAELN O=S(=O)(Nc1noc(C2CC2)n1)c1c(Cl)cccc1Br ZINC000225753438 206072408 /nfs/dbraw/zinc/07/24/08/206072408.db2.gz ZEVUATGLMNJQCK-UHFFFAOYSA-N 0 2 378.635 3.164 10 0 GGAELN Cc1n[nH]c(C)c1NS(=O)(=O)c1cccc2cncc(Br)c21 ZINC000225744256 206073272 /nfs/dbraw/zinc/07/32/72/206073272.db2.gz WSBAZMKIZGPPIM-UHFFFAOYSA-N 0 2 381.255 3.138 10 0 GGAELN COc1cc(S(=O)(=O)Nc2ccnn2Cc2ccccc2F)ccc1F ZINC000252551109 206144001 /nfs/dbraw/zinc/14/40/01/206144001.db2.gz UALNCSCEKQKZRO-UHFFFAOYSA-N 0 2 379.388 3.019 10 0 GGAELN CO[C@H]1C[C@@H](N(C)c2nc3ccccc3nc2NS(=O)(=O)c2ccccc2)C1 ZINC000253417787 206147446 /nfs/dbraw/zinc/14/74/46/206147446.db2.gz GSIXCXTZZJVJCO-GASCZTMLSA-N 0 2 398.488 3.044 10 0 GGAELN COc1cc(S(=O)(=O)Nc2ccnn2Cc2ccc(F)cc2)ccc1F ZINC000252494975 533103353 /nfs/dbraw/zinc/10/33/53/533103353.db2.gz OJJHGVIWXVBOAN-UHFFFAOYSA-N 0 2 379.388 3.019 10 0 GGAELN CCc1nnc(-c2csc(S(=O)(=O)Nc3ccc(OC)c(OC)c3)c2)o1 ZINC000065098607 222101026 /nfs/dbraw/zinc/10/10/26/222101026.db2.gz COYZNZLPSXYPBN-UHFFFAOYSA-N 0 2 395.462 3.179 10 0 GGAELN Cc1ccc2c(=O)c(C(=O)NC[C@@H](O)c3ccc(Cl)cc3Cl)c[nH]c2n1 ZINC000303441652 534399380 /nfs/dbraw/zinc/39/93/80/534399380.db2.gz FWAQKDPMFCEDFF-OAHLLOKOSA-N 0 2 392.242 3.414 10 0 GGAELN COCc1csc(NS(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)n1 ZINC000115928202 564201217 /nfs/dbraw/zinc/20/12/17/564201217.db2.gz SLOGUOSIOQEQPJ-UHFFFAOYSA-N 0 2 384.813 3.345 10 0 GGAELN O=S(=O)(Nc1cccc(-c2nc[nH]n2)c1)c1sccc1Br ZINC000117739715 564231315 /nfs/dbraw/zinc/23/13/15/564231315.db2.gz YKIXKKHNVPKZLY-UHFFFAOYSA-N 0 2 385.268 3.097 10 0 GGAELN O=C(NCc1ccco1)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1O ZINC000117982159 564235007 /nfs/dbraw/zinc/23/50/07/564235007.db2.gz XHPZLCSVOHIAFC-ZDUSSCGKSA-N 0 2 383.231 3.213 10 0 GGAELN CC(=O)N(C)c1ccccc1NS(=O)(=O)c1ccc(Br)s1 ZINC000118302151 564238653 /nfs/dbraw/zinc/23/86/53/564238653.db2.gz XFDMSQMBIDTGDI-UHFFFAOYSA-N 0 2 389.296 3.294 10 0 GGAELN CC(=O)N(C)c1ccccc1NS(=O)(=O)c1ccccc1Br ZINC000118302402 564238847 /nfs/dbraw/zinc/23/88/47/564238847.db2.gz ODWJBOAHPRZMBZ-UHFFFAOYSA-N 0 2 383.267 3.233 10 0 GGAELN O=C(Cc1ccc(NS(=O)(=O)c2ccc(Cl)cc2F)cc1)NC1CC1 ZINC000012536220 564268412 /nfs/dbraw/zinc/26/84/12/564268412.db2.gz ZISXKTGAYPAELG-UHFFFAOYSA-N 0 2 382.844 3.101 10 0 GGAELN O=c1ccc(-c2ccc(S(=O)(=O)Nc3ccc(F)c(Cl)c3)s2)n[nH]1 ZINC000020574752 564306849 /nfs/dbraw/zinc/30/68/49/564306849.db2.gz JXNBSKAVUYXYIW-UHFFFAOYSA-N 0 2 385.829 3.092 10 0 GGAELN COC(=O)c1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)nc2)c(Cl)c1 ZINC000121125441 564354212 /nfs/dbraw/zinc/35/42/12/564354212.db2.gz SOGZVXWTKONOMS-UHFFFAOYSA-N 0 2 394.758 3.341 10 0 GGAELN NC(=O)c1ccc(NS(=O)(=O)c2ccccc2OC(F)(F)F)cc1Cl ZINC000031720914 564391739 /nfs/dbraw/zinc/39/17/39/564391739.db2.gz PWVFNZJATKHVTI-UHFFFAOYSA-N 0 2 394.758 3.138 10 0 GGAELN CCC(=O)Nc1nc2ccc(NS(=O)(=O)c3c(C)noc3C)cc2s1 ZINC000033007554 564408604 /nfs/dbraw/zinc/40/86/04/564408604.db2.gz DQORZDZXDPLHPG-UHFFFAOYSA-N 0 2 380.451 3.050 10 0 GGAELN CCOc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCCC3)cs2)cc1 ZINC000035405021 564415057 /nfs/dbraw/zinc/41/50/57/564415057.db2.gz QYKJCPATQMUBEL-UHFFFAOYSA-N 0 2 380.491 3.184 10 0 GGAELN CCc1nc(-c2cc(S(=O)(=O)Nc3ccccc3OC)c(C)s2)no1 ZINC000035539347 564416275 /nfs/dbraw/zinc/41/62/75/564416275.db2.gz YTRVXHFCXVZCDK-UHFFFAOYSA-N 0 2 379.463 3.478 10 0 GGAELN COc1ccc(NS(=O)(=O)c2cc(-c3noc(C4CC4)n3)cs2)cc1 ZINC000035557032 564416370 /nfs/dbraw/zinc/41/63/70/564416370.db2.gz VWJGLZMQNAGTAC-UHFFFAOYSA-N 0 2 377.447 3.485 10 0 GGAELN CCS(=O)(=O)c1ccc(NS(=O)(=O)c2c(F)cccc2Cl)cc1 ZINC000125397981 564513142 /nfs/dbraw/zinc/51/31/42/564513142.db2.gz JBLPDRRQTPRWBT-UHFFFAOYSA-N 0 2 377.846 3.074 10 0 GGAELN Cc1cc(N2CCOCC2)ccc1NS(=O)(=O)c1c(F)cccc1Cl ZINC000125479176 564515933 /nfs/dbraw/zinc/51/59/33/564515933.db2.gz KJFPKRKROFZSIE-UHFFFAOYSA-N 0 2 384.860 3.425 10 0 GGAELN CNC(=O)c1cc(NS(=O)(=O)c2c(F)cccc2Cl)ccc1Cl ZINC000125622262 564520691 /nfs/dbraw/zinc/52/06/91/564520691.db2.gz JCKOUUNSXIPGGA-UHFFFAOYSA-N 0 2 377.224 3.293 10 0 GGAELN CO[C@H](C)C(=O)Nc1cccc(NS(=O)(=O)c2c(F)cccc2Cl)c1 ZINC000125729817 564524739 /nfs/dbraw/zinc/52/47/39/564524739.db2.gz XNIIIFDFUADLKZ-SNVBAGLBSA-N 0 2 386.832 3.253 10 0 GGAELN CCN1CCc2nc(NS(=O)(=O)c3cc(C(C)=O)ccc3Cl)sc2C1 ZINC000126102049 564537025 /nfs/dbraw/zinc/53/70/25/564537025.db2.gz GWDIEXHRXJBNLU-UHFFFAOYSA-N 0 2 399.925 3.178 10 0 GGAELN O=S(=O)(Nc1cc(C2CCCC2)n[nH]1)c1cc2c(cc1Cl)OCCO2 ZINC000126797780 564562374 /nfs/dbraw/zinc/56/23/74/564562374.db2.gz WGVVUTODFHBTQQ-UHFFFAOYSA-N 0 2 383.857 3.293 10 0 GGAELN CC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C3CC3)nc(C)n2)cc1Cl ZINC000127462911 564584412 /nfs/dbraw/zinc/58/44/12/564584412.db2.gz RZZUINGPLXVPEW-UHFFFAOYSA-N 0 2 380.857 3.075 10 0 GGAELN COc1ccc(S(=O)(=O)Nc2cc(C3CC3)nc(C)n2)cc1Br ZINC000127481096 564585377 /nfs/dbraw/zinc/58/53/77/564585377.db2.gz DNPBCSPNZLIGFY-UHFFFAOYSA-N 0 2 398.282 3.234 10 0 GGAELN CCCOc1ccccc1NS(=O)(=O)c1ccc(S(=O)(=O)CC)cc1 ZINC000055565636 564624628 /nfs/dbraw/zinc/62/46/28/564624628.db2.gz BWOUCHRFTLMQFJ-UHFFFAOYSA-N 0 2 383.491 3.070 10 0 GGAELN CCc1ccc(S(=O)(=O)Nc2ccc(NC(=O)[C@H]3CCCO3)cc2)s1 ZINC000055584339 564625689 /nfs/dbraw/zinc/62/56/89/564625689.db2.gz OPBSEHHVHXBXCF-OAHLLOKOSA-N 0 2 380.491 3.229 10 0 GGAELN Cc1nn(C)c(Cl)c1S(=O)(=O)Nc1cccc(OCC(F)(F)F)c1 ZINC000055587381 564625698 /nfs/dbraw/zinc/62/56/98/564625698.db2.gz CGWPCGRQEIIDMR-UHFFFAOYSA-N 0 2 383.779 3.124 10 0 GGAELN COc1ccc(NS(=O)(=O)c2c(C)nn(C)c2Cl)c(C(F)(F)F)c1 ZINC000055621366 564626599 /nfs/dbraw/zinc/62/65/99/564626599.db2.gz NGBAWRRMIRYZKQ-UHFFFAOYSA-N 0 2 383.779 3.210 10 0 GGAELN Cc1cc(Br)ccc1S(=O)(=O)Nc1cc(-c2ccncc2)n[nH]1 ZINC000128907413 564633286 /nfs/dbraw/zinc/63/32/86/564633286.db2.gz VZGGKTPZCUYMEL-UHFFFAOYSA-N 0 2 393.266 3.343 10 0 GGAELN Cc1cc(Br)ccc1S(=O)(=O)Nc1cc(-c2ccncc2)[nH]n1 ZINC000128907413 564633288 /nfs/dbraw/zinc/63/32/88/564633288.db2.gz VZGGKTPZCUYMEL-UHFFFAOYSA-N 0 2 393.266 3.343 10 0 GGAELN CCc1nn(C)c(CC)c1S(=O)(=O)Nc1nc(-c2sccc2C)ns1 ZINC000129060525 564637142 /nfs/dbraw/zinc/63/71/42/564637142.db2.gz LDQDGCLGFAUZTJ-UHFFFAOYSA-N 0 2 397.551 3.234 10 0 GGAELN COCCc1cc(NS(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)n(C)n1 ZINC000129649375 564655446 /nfs/dbraw/zinc/65/54/46/564655446.db2.gz WXYFGJPGZZHMDB-UHFFFAOYSA-N 0 2 397.806 3.082 10 0 GGAELN O=S(=O)(Nc1cc(O)cc(F)c1)c1cc(Br)c(F)cc1F ZINC000131396949 564710491 /nfs/dbraw/zinc/71/04/91/564710491.db2.gz YDFPALQHEBNOEA-UHFFFAOYSA-N 0 2 382.157 3.373 10 0 GGAELN CN(C[C@H](O)COCc1ccccc1)C(=O)c1ccc(Cl)c(Cl)c1O ZINC000132232740 564737716 /nfs/dbraw/zinc/73/77/16/564737716.db2.gz JRQWZMBCQSWLNJ-ZDUSSCGKSA-N 0 2 384.259 3.349 10 0 GGAELN O=C(CCNC(=O)c1c(O)cc(F)cc1F)Nc1ccc(Br)cc1 ZINC000066048367 564754880 /nfs/dbraw/zinc/75/48/80/564754880.db2.gz GOAXXEMQKZOJNV-UHFFFAOYSA-N 0 2 399.191 3.192 10 0 GGAELN CCn1cc(S(=O)(=O)Nc2cc(Cl)ccc2OCC(F)(F)F)cn1 ZINC000066578937 564769547 /nfs/dbraw/zinc/76/95/47/564769547.db2.gz HSVNDVGIEHFTLE-UHFFFAOYSA-N 0 2 383.779 3.298 10 0 GGAELN COC(=O)CCN(Cc1ccncc1)C(=O)c1ccc(Cl)c(Cl)c1O ZINC000133910246 564789105 /nfs/dbraw/zinc/78/91/05/564789105.db2.gz FKAARGGWKLSNHZ-UHFFFAOYSA-N 0 2 383.231 3.300 10 0 GGAELN CN(C)c1ncc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)cn1 ZINC000133953709 564789529 /nfs/dbraw/zinc/78/95/29/564789529.db2.gz ZBGGYXLYTFBNCX-UHFFFAOYSA-N 0 2 380.779 3.016 10 0 GGAELN CCc1nc(NS(=O)(=O)c2cccc3ccccc32)sc1C(=O)OC ZINC000137197811 564859452 /nfs/dbraw/zinc/85/94/52/564859452.db2.gz APFMZLHBCFZNEW-UHFFFAOYSA-N 0 2 376.459 3.446 10 0 GGAELN CCc1nc(NS(=O)(=O)c2cc(C)c(F)cc2Cl)sc1C(=O)OC ZINC000137196788 564859469 /nfs/dbraw/zinc/85/94/69/564859469.db2.gz KNCGKIQMLPSWSI-UHFFFAOYSA-N 0 2 392.861 3.394 10 0 GGAELN Cc1nn(C)c(Cl)c1S(=O)(=O)N[C@@](C)(c1ccccc1)C(F)(F)F ZINC000095944110 564900456 /nfs/dbraw/zinc/90/04/56/564900456.db2.gz DSMOMLNWWMNLER-ZDUSSCGKSA-N 0 2 381.807 3.138 10 0 GGAELN CCOC(=O)C(C)(C)n1cc(NC(=O)c2c(O)cc(Cl)cc2Cl)cn1 ZINC000150990590 564900871 /nfs/dbraw/zinc/90/08/71/564900871.db2.gz FAOJYVIYHVRVLC-UHFFFAOYSA-N 0 2 386.235 3.446 10 0 GGAELN O=S(=O)(Nc1cccn2nc(C3CC3)nc12)c1ccc(Br)s1 ZINC000097077797 564905210 /nfs/dbraw/zinc/90/52/10/564905210.db2.gz WTKQFIAEGXPGDK-UHFFFAOYSA-N 0 2 399.295 3.232 10 0 GGAELN Cc1nc(-c2ccc(NS(=O)(=O)c3ccc(Cl)s3)cc2)cc(=O)[nH]1 ZINC000102751306 564934075 /nfs/dbraw/zinc/93/40/75/564934075.db2.gz WTGYPFDBPAVKID-UHFFFAOYSA-N 0 2 381.866 3.261 10 0 GGAELN O=C(NC1CCN(C(=O)c2ccoc2)CC1)c1ccc(Cl)c(Cl)c1O ZINC000106456682 564983618 /nfs/dbraw/zinc/98/36/18/564983618.db2.gz ATHXZLKZWLAALB-UHFFFAOYSA-N 0 2 383.231 3.327 10 0 GGAELN CN(C)C(=O)COc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2O)cc1 ZINC000106457287 564983680 /nfs/dbraw/zinc/98/36/80/564983680.db2.gz APLHAQGDZIMXFQ-UHFFFAOYSA-N 0 2 383.231 3.418 10 0 GGAELN CN(c1cccnn1)C1CCN(C(=O)c2ccc(Cl)c(Cl)c2O)CC1 ZINC000106918321 564992429 /nfs/dbraw/zinc/99/24/29/564992429.db2.gz RAWQJRAZGATPLD-UHFFFAOYSA-N 0 2 381.263 3.230 10 0 GGAELN CCc1nc(NS(=O)(=O)c2c(F)cccc2Cl)sc1C(=O)OC ZINC000153527323 564998735 /nfs/dbraw/zinc/99/87/35/564998735.db2.gz PFPWMNOAXFXDOX-UHFFFAOYSA-N 0 2 378.834 3.085 10 0 GGAELN C[C@H](NC(=O)c1cc(Br)cc(Cl)c1O)c1nnc2n1CCCC2 ZINC000156194690 565075592 /nfs/dbraw/zinc/07/55/92/565075592.db2.gz PUVCFNPBLJEPRW-QMMMGPOBSA-N 0 2 399.676 3.227 10 0 GGAELN C[C@@H](NC(=O)c1cc(Br)cc(Cl)c1O)c1nnc2n1CCCC2 ZINC000156194820 565075663 /nfs/dbraw/zinc/07/56/63/565075663.db2.gz PUVCFNPBLJEPRW-MRVPVSSYSA-N 0 2 399.676 3.227 10 0 GGAELN O=C(NCc1cccnc1OCC(F)(F)F)c1cc(F)c(O)c(Cl)c1 ZINC000184248282 565122673 /nfs/dbraw/zinc/12/26/73/565122673.db2.gz ZVAIZDAPOLKYGF-UHFFFAOYSA-N 0 2 378.709 3.451 10 0 GGAELN COCCCCc1cccnc1NS(=O)(=O)c1ccc2ncsc2c1 ZINC000292604085 565124854 /nfs/dbraw/zinc/12/48/54/565124854.db2.gz QRVHXOZCHYJJAY-UHFFFAOYSA-N 0 2 377.491 3.461 10 0 GGAELN CCCCCc1nnc(NS(=O)(=O)c2c(C)oc(C)c2C(=O)OC)s1 ZINC000267677926 565127162 /nfs/dbraw/zinc/12/71/62/565127162.db2.gz PIFWRBLALPEGAO-UHFFFAOYSA-N 0 2 387.483 3.068 10 0 GGAELN Cc1nc(CN2CCCN(C(=O)c3cc(F)c(O)c(Cl)c3)CC2)cs1 ZINC000184381594 565132824 /nfs/dbraw/zinc/13/28/24/565132824.db2.gz PDUHUTQRHZJTIA-UHFFFAOYSA-N 0 2 383.876 3.298 10 0 GGAELN O=C(N[C@H]1CCN(c2ccc(Cl)cc2)C1=O)c1cc(F)c(O)c(Cl)c1 ZINC000184431024 565134838 /nfs/dbraw/zinc/13/48/38/565134838.db2.gz PULFOJKVMCQORI-AWEZNQCLSA-N 0 2 383.206 3.373 10 0 GGAELN O=C(N[C@@H]1CCCN(c2cccnc2)C1=O)c1ccc(Cl)c(Cl)c1O ZINC000185023032 565173207 /nfs/dbraw/zinc/17/32/07/565173207.db2.gz MDZUIUGAUUVECA-CYBMUJFWSA-N 0 2 380.231 3.019 10 0 GGAELN Cn1cc(NS(=O)(=O)c2cccc(Br)c2)c(-c2ccccn2)n1 ZINC000371210253 565182256 /nfs/dbraw/zinc/18/22/56/565182256.db2.gz QFEUDHBXNWXRRZ-UHFFFAOYSA-N 0 2 393.266 3.045 10 0 GGAELN Cn1cc(NS(=O)(=O)c2ccc(Br)s2)c(-c2ccccn2)n1 ZINC000371213608 565182588 /nfs/dbraw/zinc/18/25/88/565182588.db2.gz UBVATXUWBCBKPU-UHFFFAOYSA-N 0 2 399.295 3.107 10 0 GGAELN COC(=O)c1ccc(S(=O)(=O)Nc2nnc(C(C)(C)C)s2)cc1Cl ZINC000269648068 565196276 /nfs/dbraw/zinc/19/62/76/565196276.db2.gz FLOPIXLBUNZZEI-UHFFFAOYSA-N 0 2 389.886 3.076 10 0 GGAELN O=C(c1cc(Br)c(F)cc1O)N1CC[C@H](OCc2ccccn2)C1 ZINC000294824272 565230561 /nfs/dbraw/zinc/23/05/61/565230561.db2.gz CZEAZPRSSJHHHG-LBPRGKRZSA-N 0 2 395.228 3.120 10 0 GGAELN Cc1n[nH]cc1-c1nnc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)s1 ZINC000372501129 565241940 /nfs/dbraw/zinc/24/19/40/565241940.db2.gz DCMQHPZWHGKODV-UHFFFAOYSA-N 0 2 389.384 3.056 10 0 GGAELN C[C@H]1CCN(C(=O)c2cc(Br)c(F)cc2O)C[C@@H]1n1ccnc1 ZINC000295120762 565246486 /nfs/dbraw/zinc/24/64/86/565246486.db2.gz MJCKRGBJKRLFHM-HZMBPMFUSA-N 0 2 382.233 3.214 10 0 GGAELN C[C@H]1CCN(C(=O)c2cc(Br)c(F)cc2[O-])C[C@@H]1n1cc[nH+]c1 ZINC000295120762 565246491 /nfs/dbraw/zinc/24/64/91/565246491.db2.gz MJCKRGBJKRLFHM-HZMBPMFUSA-N 0 2 382.233 3.214 10 0 GGAELN C[C@@H]1CCN(C(=O)c2cc(Br)c(F)cc2O)C[C@@H]1n1ccnc1 ZINC000295120769 565246842 /nfs/dbraw/zinc/24/68/42/565246842.db2.gz MJCKRGBJKRLFHM-YGRLFVJLSA-N 0 2 382.233 3.214 10 0 GGAELN C[C@@H]1CCN(C(=O)c2cc(Br)c(F)cc2[O-])C[C@@H]1n1cc[nH+]c1 ZINC000295120769 565246845 /nfs/dbraw/zinc/24/68/45/565246845.db2.gz MJCKRGBJKRLFHM-YGRLFVJLSA-N 0 2 382.233 3.214 10 0 GGAELN O=C(c1cc(Br)c(F)cc1O)N1CCC2(CCC(O)CC2)CC1 ZINC000295322847 565259043 /nfs/dbraw/zinc/25/90/43/565259043.db2.gz GSCGZWLDFMEZAM-UHFFFAOYSA-N 0 2 386.261 3.451 10 0 GGAELN C[C@@H](NC(=O)N=c1nc(-c2ccsc2)[nH]s1)c1nc(C(C)(C)C)no1 ZINC000373026324 565265733 /nfs/dbraw/zinc/26/57/33/565265733.db2.gz RPWFWDQRYAPBOG-MRVPVSSYSA-N 0 2 378.483 3.252 10 0 GGAELN O=C(c1cc(Br)c(F)cc1O)N1CC[C@](CO)(c2ccccc2)C1 ZINC000296062089 565299427 /nfs/dbraw/zinc/29/94/27/565299427.db2.gz OFKYBNCSEPNUHB-SFHVURJKSA-N 0 2 394.240 3.070 10 0 GGAELN O=S(=O)(Nc1ncc(C2CCOCC2)s1)c1cccnc1C(F)(F)F ZINC000296699681 565330984 /nfs/dbraw/zinc/33/09/84/565330984.db2.gz KURGXRVTVFEXRZ-UHFFFAOYSA-N 0 2 393.412 3.252 10 0 GGAELN CC(=O)NCCc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCCC3)s1 ZINC000296701050 565331201 /nfs/dbraw/zinc/33/12/01/565331201.db2.gz KWVDYOTXYULZAW-UHFFFAOYSA-N 0 2 378.519 3.106 10 0 GGAELN Cn1cc(NS(=O)(=O)c2cncc(Br)c2)c(C2CCCCC2)n1 ZINC000296801100 565337782 /nfs/dbraw/zinc/33/77/82/565337782.db2.gz UECGEXWFAXVPOP-UHFFFAOYSA-N 0 2 399.314 3.426 10 0 GGAELN Cc1ccc(-c2cncc(F)c2)cc1NS(=O)(=O)c1c(Cl)cnn1C ZINC000374536326 565344873 /nfs/dbraw/zinc/34/48/73/565344873.db2.gz IVBNDZJLGDGSLQ-UHFFFAOYSA-N 0 2 380.832 3.384 10 0 GGAELN CC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cccc3c2OCC[C@H]3O)c1 ZINC000375646857 565398879 /nfs/dbraw/zinc/39/88/79/565398879.db2.gz LPRQDTFDQGMUPX-OAHLLOKOSA-N 0 2 381.837 3.159 10 0 GGAELN C[C@@H](C[C@H](O)c1cccs1)NC(=O)N=c1nc(-c2ccsc2)[nH]s1 ZINC000376083478 565421269 /nfs/dbraw/zinc/42/12/69/565421269.db2.gz QQXMMTRTGQATHM-ONGXEEELSA-N 0 2 380.520 3.384 10 0 GGAELN C[C@H](C[C@@H](O)c1cccs1)NC(=O)N=c1nc(-c2ccsc2)[nH]s1 ZINC000376083477 565421327 /nfs/dbraw/zinc/42/13/27/565421327.db2.gz QQXMMTRTGQATHM-MWLCHTKSSA-N 0 2 380.520 3.384 10 0 GGAELN C[C@@H](C1CC1)n1nccc1NS(=O)(=O)c1cc2c(cc1Cl)OCCO2 ZINC000171341630 565427150 /nfs/dbraw/zinc/42/71/50/565427150.db2.gz BBTGBGRDVAXPGX-JTQLQIEISA-N 0 2 383.857 3.080 10 0 GGAELN COC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1cccc(OC(F)F)c1 ZINC000298846941 565431183 /nfs/dbraw/zinc/43/11/83/565431183.db2.gz JDRJPCQAVLVNIO-UHFFFAOYSA-N 0 2 375.349 3.085 10 0 GGAELN COC(=O)NCCc1ccc(S(=O)(=O)Nc2cccc(SC)c2)s1 ZINC000276212408 565440280 /nfs/dbraw/zinc/44/02/80/565440280.db2.gz KLSUPNFWSRLMCB-UHFFFAOYSA-N 0 2 386.520 3.169 10 0 GGAELN COc1c(Cl)cc(NS(=O)(=O)c2c(C)nn(C)c2Cl)cc1Cl ZINC000299564443 565454824 /nfs/dbraw/zinc/45/48/24/565454824.db2.gz GSVGSBSQVZQSKV-UHFFFAOYSA-N 0 2 384.672 3.498 10 0 GGAELN CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@H](C)C2CCCC2)c(F)c1Cl ZINC000173151636 565531276 /nfs/dbraw/zinc/53/12/76/565531276.db2.gz LJJUQCGZUSBADE-MRVPVSSYSA-N 0 2 380.844 3.434 10 0 GGAELN COC(=O)NCCc1ccc(S(=O)(=O)Nc2c(C)cc(C)cc2C)s1 ZINC000190710342 565554093 /nfs/dbraw/zinc/55/40/93/565554093.db2.gz WXBRHRMAWCAMKU-UHFFFAOYSA-N 0 2 382.507 3.373 10 0 GGAELN COc1cc(OC)c(S(=O)(=O)Nc2nc(C3CCC3)cs2)c(OC)c1 ZINC000278372350 565554581 /nfs/dbraw/zinc/55/45/81/565554581.db2.gz KUGZGQBMXJGUCF-UHFFFAOYSA-N 0 2 384.479 3.237 10 0 GGAELN COc1cc(OC)c(S(=O)(=O)Nc2ccc(Cl)c(OC)c2)c(OC)c1 ZINC000278584979 565567406 /nfs/dbraw/zinc/56/74/06/565567406.db2.gz DOQRLFIWOCJGHD-UHFFFAOYSA-N 0 2 387.841 3.175 10 0 GGAELN COc1cc(S(=O)(=O)Nc2nc(CN3CCCCC3)cs2)ccc1F ZINC000190979406 565575006 /nfs/dbraw/zinc/57/50/06/565575006.db2.gz IUTJYJFDXHGGLL-UHFFFAOYSA-N 0 2 385.486 3.078 10 0 GGAELN COc1cc(S(=O)(=O)Nc2cc(C)c(Br)cn2)ccc1F ZINC000190992215 565576308 /nfs/dbraw/zinc/57/63/08/565576308.db2.gz GGSMRFCLXRWQQV-UHFFFAOYSA-N 0 2 375.219 3.101 10 0 GGAELN NC(=O)c1ccc(NS(=O)(=O)c2c(Cl)cccc2Br)cc1 ZINC000313960428 565584290 /nfs/dbraw/zinc/58/42/90/565584290.db2.gz BNJVWOWZZDROGX-UHFFFAOYSA-N 0 2 389.658 3.002 10 0 GGAELN CN(C)c1ncccc1NS(=O)(=O)c1c(Cl)cccc1Br ZINC000314293389 565586487 /nfs/dbraw/zinc/58/64/87/565586487.db2.gz XOYHPIPIJUAXCO-UHFFFAOYSA-N 0 2 390.690 3.364 10 0 GGAELN CCCc1cc(NS(=O)(=O)c2cc(Br)ccc2OCC)[nH]n1 ZINC000317344656 565594157 /nfs/dbraw/zinc/59/41/57/565594157.db2.gz GTQPNYCBZYWDCC-UHFFFAOYSA-N 0 2 388.287 3.324 10 0 GGAELN COCc1csc(NS(=O)(=O)c2ccc(C)c(Br)c2)n1 ZINC000174005818 565606689 /nfs/dbraw/zinc/60/66/89/565606689.db2.gz MIJDXQSOLHCDEU-UHFFFAOYSA-N 0 2 377.285 3.161 10 0 GGAELN COC(=O)c1ccc(S(=O)(=O)Nc2nc3c(s2)CCCCC3)c(C)c1 ZINC000409592851 565626863 /nfs/dbraw/zinc/62/68/63/565626863.db2.gz GCCYUBFMMPKCLD-UHFFFAOYSA-N 0 2 380.491 3.308 10 0 GGAELN Cn1cc([C@H]2CCN(C(=O)c3cc(Br)cc(Cl)c3O)C2)cn1 ZINC000174339821 565629502 /nfs/dbraw/zinc/62/95/02/565629502.db2.gz PNLOCWQIAZBOIB-VIFPVBQESA-N 0 2 384.661 3.171 10 0 GGAELN Cn1cc([C@@H]2CCN(C(=O)c3cc(Br)cc(Cl)c3O)C2)cn1 ZINC000174339807 565630091 /nfs/dbraw/zinc/63/00/91/565630091.db2.gz PNLOCWQIAZBOIB-SECBINFHSA-N 0 2 384.661 3.171 10 0 GGAELN CCOc1cccc(S(=O)(=O)Nc2nc(-c3sccc3C)ns2)c1 ZINC000410336528 565678156 /nfs/dbraw/zinc/67/81/56/565678156.db2.gz GYKGSNAZCUPZDA-UHFFFAOYSA-N 0 2 381.504 3.196 10 0 GGAELN CC(C)(C)Nc1ccccc1NS(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000410402439 565683116 /nfs/dbraw/zinc/68/31/16/565683116.db2.gz PJEASKYTEHIDDB-UHFFFAOYSA-N 0 2 382.507 3.101 10 0 GGAELN CC(C)c1nn(C)cc1NS(=O)(=O)c1cc(F)c(Br)cc1F ZINC000280990082 565706338 /nfs/dbraw/zinc/70/63/38/565706338.db2.gz MRLHCPOHBPSSFK-UHFFFAOYSA-N 0 2 394.241 3.385 10 0 GGAELN COc1cc(S(=O)(=O)Nc2cn(C)nc2C(C)C)ccc1Br ZINC000280984779 565706437 /nfs/dbraw/zinc/70/64/37/565706437.db2.gz MIYHBTLBOFEEML-UHFFFAOYSA-N 0 2 388.287 3.115 10 0 GGAELN CCOC(=O)c1nc(NS(=O)(=O)c2cc(C)sc2C)sc1C(C)=O ZINC000281013709 565707706 /nfs/dbraw/zinc/70/77/06/565707706.db2.gz RBZFVPWCFABIEP-UHFFFAOYSA-N 0 2 388.492 3.002 10 0 GGAELN CCN(Cc1cccs1)C(=O)C(=O)N=c1nc(-c2sccc2C)[nH]s1 ZINC000411158279 565715121 /nfs/dbraw/zinc/71/51/21/565715121.db2.gz WBIDFSFEDVNJSZ-UHFFFAOYSA-N 0 2 392.531 3.046 10 0 GGAELN COc1ccc(Br)c(S(=O)(=O)Nc2cn(C)nc2C(C)C)c1 ZINC000281269580 565721274 /nfs/dbraw/zinc/72/12/74/565721274.db2.gz WXAIWXWDGXJSLU-UHFFFAOYSA-N 0 2 388.287 3.115 10 0 GGAELN CC[C@@H]1CCC[C@@H](NC(=O)C(=O)N=c2nc(-c3sccc3C)[nH]s2)C1 ZINC000411281499 565722249 /nfs/dbraw/zinc/72/22/49/565722249.db2.gz TYSWJQWACNLVEY-VXGBXAGGSA-N 0 2 378.523 3.020 10 0 GGAELN CC[C@H]1CCC[C@H](NC(=O)C(=O)N=c2nc(-c3sccc3C)[nH]s2)C1 ZINC000411281498 565722356 /nfs/dbraw/zinc/72/23/56/565722356.db2.gz TYSWJQWACNLVEY-RYUDHWBXSA-N 0 2 378.523 3.020 10 0 GGAELN Cc1ccsc1-c1nc(=NC(=O)C(=O)NCC2(C)CCCCC2)s[nH]1 ZINC000411294777 565722872 /nfs/dbraw/zinc/72/28/72/565722872.db2.gz CVCXYZGRSQJQSO-UHFFFAOYSA-N 0 2 378.523 3.022 10 0 GGAELN Cc1ccsc1-c1nc(=NC(=O)C(=O)N[C@H]2CCC[C@@H](C)CC2)s[nH]1 ZINC000411449239 565730444 /nfs/dbraw/zinc/73/04/44/565730444.db2.gz SHFNZVWNRWCBMN-PWSUYJOCSA-N 0 2 378.523 3.020 10 0 GGAELN CCC[C@@H](NC(=O)C(=O)N=c1nc(-c2sccc2C)[nH]s1)C1CCC1 ZINC000411710669 565747390 /nfs/dbraw/zinc/74/73/90/565747390.db2.gz OMWOYQNSXVZCQA-GFCCVEGCSA-N 0 2 378.523 3.020 10 0 GGAELN CCc1cc(NS(=O)(=O)c2c(Cl)cccc2Br)n(C)n1 ZINC000282238114 565771945 /nfs/dbraw/zinc/77/19/45/565771945.db2.gz CYXONKCFZQKDKL-UHFFFAOYSA-N 0 2 378.679 3.199 10 0 GGAELN O=C(NCc1ccc(OCC(F)(F)F)nc1)c1cc(F)c(O)c(Cl)c1 ZINC000194405078 565812883 /nfs/dbraw/zinc/81/28/83/565812883.db2.gz KPVDXJOXQAJKMN-UHFFFAOYSA-N 0 2 378.709 3.451 10 0 GGAELN COc1ccc(-c2nnc(NS(=O)(=O)c3c(F)cccc3Cl)o2)cc1 ZINC000194780044 565837391 /nfs/dbraw/zinc/83/73/91/565837391.db2.gz NPFJUECFZKOOJR-UHFFFAOYSA-N 0 2 383.788 3.339 10 0 GGAELN O=C(c1cc(F)c(O)c(Cl)c1)N1CCOC[C@H]1C[C@H](O)c1cccs1 ZINC000194822664 565840435 /nfs/dbraw/zinc/84/04/35/565840435.db2.gz JJCJUCXHATVDMH-RISCZKNCSA-N 0 2 385.844 3.211 10 0 GGAELN O=C(c1cc(F)c(O)c(Cl)c1)N1CCOC[C@H]1C[C@@H](O)c1cccs1 ZINC000194822654 565840795 /nfs/dbraw/zinc/84/07/95/565840795.db2.gz JJCJUCXHATVDMH-BXUZGUMPSA-N 0 2 385.844 3.211 10 0 GGAELN Cc1nn(C)c(Cl)c1S(=O)(=O)Nc1nnc(C[C@@H](C)CC(C)(C)C)o1 ZINC000194884475 565846071 /nfs/dbraw/zinc/84/60/71/565846071.db2.gz KAXNQDLGBBTAPA-SECBINFHSA-N 0 2 389.909 3.181 10 0 GGAELN Cc1cc(S(=O)(=O)Nc2nnc(-c3cccc(N(C)C)c3)o2)c(C)s1 ZINC000194904766 565847348 /nfs/dbraw/zinc/84/73/48/565847348.db2.gz CVJOOEKKUQATDO-UHFFFAOYSA-N 0 2 378.479 3.282 10 0 GGAELN CC[C@H](CS(=O)(=O)c1ccccc1)NC(=O)c1cc(F)c(O)c(Cl)c1 ZINC000194947790 565849426 /nfs/dbraw/zinc/84/94/26/565849426.db2.gz VEUFHERLBWEZEP-GFCCVEGCSA-N 0 2 385.844 3.167 10 0 GGAELN O=C(NCCOc1ncccc1C(F)(F)F)c1cc(F)c(O)c(Cl)c1 ZINC000194937612 565849435 /nfs/dbraw/zinc/84/94/35/565849435.db2.gz MKDQJNZCOKBHNI-UHFFFAOYSA-N 0 2 378.709 3.407 10 0 GGAELN Cc1cccc(S(=O)(=O)Nc2ccc(OC(C)C)nn2)c1Br ZINC000194983353 565852063 /nfs/dbraw/zinc/85/20/63/565852063.db2.gz SOJPLRAHRABVSG-UHFFFAOYSA-N 0 2 386.271 3.136 10 0 GGAELN Cc1cc(S(=O)(=O)Nc2cnn(Cc3ccccn3)c2)c(Cl)cc1F ZINC000177850594 565876180 /nfs/dbraw/zinc/87/61/80/565876180.db2.gz DULUEGRDIBUHLA-UHFFFAOYSA-N 0 2 380.832 3.228 10 0 GGAELN O=S(=O)(Nc1nc(C2CCOCC2)cs1)c1ccc(C(F)(F)F)nc1 ZINC000284984373 565881193 /nfs/dbraw/zinc/88/11/93/565881193.db2.gz DYUAMIRTBSMUEV-UHFFFAOYSA-N 0 2 393.412 3.252 10 0 GGAELN C[C@H]1CN(C(=O)N=c2ccc(-c3ccc(Br)s3)n[nH]2)C[C@H](C)O1 ZINC000333491367 565884632 /nfs/dbraw/zinc/88/46/32/565884632.db2.gz UPBKUGBRWVREPO-UWVGGRQHSA-N 0 2 397.298 3.031 10 0 GGAELN COC(=O)c1cncc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)c1 ZINC000178332298 565913738 /nfs/dbraw/zinc/91/37/38/565913738.db2.gz KHVSMXUYGSSGMW-UHFFFAOYSA-N 0 2 394.758 3.341 10 0 GGAELN Cc1cc(S(=O)(=O)Nc2ncn(Cc3ccc(Cl)cc3)n2)c(C)s1 ZINC000178421084 565918431 /nfs/dbraw/zinc/91/84/31/565918431.db2.gz DCQHMZKXFWCSKV-UHFFFAOYSA-N 0 2 382.898 3.459 10 0 GGAELN COC(C)(C)CS(=O)(=O)Nc1ccn(-c2ccc(Cl)cc2Cl)n1 ZINC000414382497 565919284 /nfs/dbraw/zinc/91/92/84/565919284.db2.gz OMHNAGWRPPMABL-UHFFFAOYSA-N 0 2 378.281 3.346 10 0 GGAELN COC(C)(C)CS(=O)(=O)Nc1ccn(-c2cccc(C(F)(F)F)c2)n1 ZINC000414386334 565921299 /nfs/dbraw/zinc/92/12/99/565921299.db2.gz XCRQKGNJTQKOAQ-UHFFFAOYSA-N 0 2 377.388 3.058 10 0 GGAELN O=S(=O)(Nc1ccc(F)cc1N1CCOCC1)c1ccc(Cl)s1 ZINC000414395552 565923159 /nfs/dbraw/zinc/92/31/59/565923159.db2.gz MZYAQHNEFWDHDB-UHFFFAOYSA-N 0 2 376.862 3.178 10 0 GGAELN CCc1cc(Br)ccc1NS(=O)(=O)c1c(Cl)cnn1C ZINC000228014053 565924550 /nfs/dbraw/zinc/92/45/50/565924550.db2.gz TTYRQJHLVNISKB-UHFFFAOYSA-N 0 2 378.679 3.199 10 0 GGAELN Cc1nn(C)c(S(=O)(=O)Nc2ccnn2[C@H](C)CC(C)C)c1C(F)F ZINC000414433326 565931738 /nfs/dbraw/zinc/93/17/38/565931738.db2.gz BIYDMVQVNUWMDD-SNVBAGLBSA-N 0 2 375.445 3.271 10 0 GGAELN CCOC(=O)c1sc(NS(=O)(=O)c2ccc(Cl)c(OC)c2)nc1C ZINC000414444946 565933074 /nfs/dbraw/zinc/93/30/74/565933074.db2.gz VJXJQCIXVPGMEI-UHFFFAOYSA-N 0 2 390.870 3.091 10 0 GGAELN Cc1nc(C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)c(C)s1 ZINC000178828338 565940055 /nfs/dbraw/zinc/94/00/55/565940055.db2.gz KHBYYDFAOLGUSQ-UHFFFAOYSA-N 0 2 394.503 3.270 10 0 GGAELN CC[C@@H](C)NC(=O)[C@H]1CSCN1C(=O)c1ccc(Cl)c(Cl)c1O ZINC000179496680 565984623 /nfs/dbraw/zinc/98/46/23/565984623.db2.gz STIDKWJEHBIQMZ-LDYMZIIASA-N 0 2 377.293 3.129 10 0 GGAELN CC(C)(C)NC(=O)[C@@H]1CSCN1C(=O)c1ccc(Cl)c(Cl)c1O ZINC000179513807 565985801 /nfs/dbraw/zinc/98/58/01/565985801.db2.gz BREAGSSIAHUIFT-JTQLQIEISA-N 0 2 377.293 3.129 10 0 GGAELN CC(C)[C@@H](C)NC(=O)[C@H]1CSCN1C(=O)c1ccc(Cl)c(Cl)c1O ZINC000179570764 565989996 /nfs/dbraw/zinc/98/99/96/565989996.db2.gz HHRWQTUSNZQXIN-BXKDBHETSA-N 0 2 391.320 3.375 10 0 GGAELN CN(C(=O)c1ccc(Cl)c(Cl)c1O)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000179608614 565992327 /nfs/dbraw/zinc/99/23/27/565992327.db2.gz FLMPNWYTSDJOAG-VXGBXAGGSA-N 0 2 380.293 3.127 10 0 GGAELN O=C1CCc2cc(NS(=O)(=O)c3cccs3)ccc2N1CC(F)(F)F ZINC000364159569 566037437 /nfs/dbraw/zinc/03/74/37/566037437.db2.gz YIBVGYJMVNMBOG-UHFFFAOYSA-N 0 2 390.408 3.390 10 0 GGAELN Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000246936841 566047458 /nfs/dbraw/zinc/04/74/58/566047458.db2.gz HJDAQPBIPPDKAB-JKSUJKDBSA-N 0 2 384.307 3.403 10 0 GGAELN Cc1n[nH]cc1-c1nnc(NS(=O)(=O)c2cc(C)c(F)cc2Cl)s1 ZINC000364557550 566057827 /nfs/dbraw/zinc/05/78/27/566057827.db2.gz GGPCMJRIZQIZIF-UHFFFAOYSA-N 0 2 387.849 3.138 10 0 GGAELN CS(=O)(=O)c1c(Cl)cccc1NS(=O)(=O)c1cccc2ncccc21 ZINC000180728876 566083798 /nfs/dbraw/zinc/08/37/98/566083798.db2.gz AHPODBRTVAZWHO-UHFFFAOYSA-N 0 2 396.877 3.093 10 0 GGAELN CC[C@@]1(C)NC(=O)N(NC(=O)c2sc3ccccc3c2Br)C1=O ZINC000289348473 566118641 /nfs/dbraw/zinc/11/86/41/566118641.db2.gz KODKJZJBADWVOU-OAHLLOKOSA-N 0 2 396.266 3.029 10 0 GGAELN O=S(=O)(Nc1nnc(-c2ccsc2)s1)c1ccc(C(F)(F)F)nc1 ZINC000181321639 566132337 /nfs/dbraw/zinc/13/23/37/566132337.db2.gz HOVRDMLIFBYLJG-UHFFFAOYSA-N 0 2 392.409 3.481 10 0 GGAELN O=C(N=c1nc(-c2ccsc2)[nH]s1)N1CCO[C@@H](c2ccsc2)C1 ZINC000366098369 566135806 /nfs/dbraw/zinc/13/58/06/566135806.db2.gz QXYYVUJMIVFUMI-GFCCVEGCSA-N 0 2 378.504 3.355 10 0 GGAELN Cc1cc(F)c(Br)cc1S(=O)(=O)Nc1cn(C)nc1C1CC1 ZINC000291076170 566203802 /nfs/dbraw/zinc/20/38/02/566203802.db2.gz JITQWQUZQGXLCF-UHFFFAOYSA-N 0 2 388.262 3.308 10 0 GGAELN Cn1cc(NS(=O)(=O)c2ccc(OCC(F)(F)F)cc2)c(C2CC2)n1 ZINC000291139526 566207111 /nfs/dbraw/zinc/20/71/11/566207111.db2.gz OWCDVOYVQFSIPM-UHFFFAOYSA-N 0 2 375.372 3.039 10 0 GGAELN O=S(=O)(Nc1ncn(C2CCCCC2)n1)c1cnc(Cl)c(Cl)c1 ZINC000182567456 566211904 /nfs/dbraw/zinc/21/19/04/566211904.db2.gz XWKXCMZNOXVWLY-UHFFFAOYSA-N 0 2 376.269 3.286 10 0 GGAELN COc1ccc(Cl)c(S(=O)(=O)Nc2ccc(OC)c(OC)c2OC)c1 ZINC000264860213 566225648 /nfs/dbraw/zinc/22/56/48/566225648.db2.gz NIVUDIHQWABQEF-UHFFFAOYSA-N 0 2 387.841 3.175 10 0 GGAELN CC(C)c1nn(C)cc1NS(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000291813482 566236109 /nfs/dbraw/zinc/23/61/09/566236109.db2.gz BTJCUGMQKXPILF-UHFFFAOYSA-N 0 2 381.351 3.382 10 0 GGAELN Cc1cccc(S(=O)(=O)Nc2cccc3c2OCC[C@H]3O)c1Br ZINC000368507237 566240517 /nfs/dbraw/zinc/24/05/17/566240517.db2.gz JFRUUJGVUHRSIO-CYBMUJFWSA-N 0 2 398.278 3.374 10 0 GGAELN Oc1c(Br)cc(CN2CCc3nccnc3C2)cc1Br ZINC000668734761 566259747 /nfs/dbraw/zinc/25/97/47/566259747.db2.gz SJJPMNRHPXRJAH-UHFFFAOYSA-N 0 2 399.086 3.266 10 0 GGAELN COc1c(C)cc(C)cc1S(=O)(=O)Nc1nc(-c2cccs2)ns1 ZINC000509208876 566276013 /nfs/dbraw/zinc/27/60/13/566276013.db2.gz GIHYKLZYYOTRJI-UHFFFAOYSA-N 0 2 381.504 3.115 10 0 GGAELN COc1c(C)cc(C)cc1S(=O)(=O)Nc1c(C)c(C(F)(F)F)nn1C ZINC000509221937 566279322 /nfs/dbraw/zinc/27/93/22/566279322.db2.gz DYPFNBCLXRYBDH-UHFFFAOYSA-N 0 2 377.388 3.174 10 0 GGAELN Cc1c(S(=O)(=O)Nc2nc(-c3cccs3)ns2)c2ccccc2n1C ZINC000556305459 566284021 /nfs/dbraw/zinc/28/40/21/566284021.db2.gz ZOLOLKNTAHUXKH-UHFFFAOYSA-N 0 2 390.515 3.289 10 0 GGAELN CCCc1ccc(Cl)c(S(=O)(=O)Nc2cnn(-c3ncccn3)c2)c1 ZINC000556350053 566289168 /nfs/dbraw/zinc/28/91/68/566289168.db2.gz RKHOHQYEDJWHPQ-UHFFFAOYSA-N 0 2 377.857 3.069 10 0 GGAELN Cc1ccsc1-c1nc(=NC(=O)N2CCC[C@@H]([C@H]3CCOC3)C2)s[nH]1 ZINC000575849660 566291802 /nfs/dbraw/zinc/29/18/02/566291802.db2.gz OKRCDWOTKPRJRX-OLZOCXBDSA-N 0 2 378.523 3.277 10 0 GGAELN COC(=O)c1cc(S(=O)(=O)Nc2ccc(C(F)(F)F)nc2C)cs1 ZINC000509386461 566296208 /nfs/dbraw/zinc/29/62/08/566296208.db2.gz LFIAEPGJOCVXCP-UHFFFAOYSA-N 0 2 380.369 3.058 10 0 GGAELN COC(=O)c1scc(C)c1S(=O)(=O)Nc1ccc(C(F)(F)F)nc1C ZINC000509393416 566297772 /nfs/dbraw/zinc/29/77/72/566297772.db2.gz YZJPPNORHQXVRY-UHFFFAOYSA-N 0 2 394.396 3.366 10 0 GGAELN COC(=O)c1ccc(S(=O)(=O)Nc2cccnc2OC(C)C)c(Cl)c1 ZINC000509577168 566318026 /nfs/dbraw/zinc/31/80/26/566318026.db2.gz KIEIFBUOQSNEDX-UHFFFAOYSA-N 0 2 384.841 3.110 10 0 GGAELN CC1(c2nc(=NC(=O)CSCC(=O)c3ccc(Cl)cc3)s[nH]2)CC1 ZINC000600226439 566326376 /nfs/dbraw/zinc/32/63/76/566326376.db2.gz BMDDQVNOSIANCN-UHFFFAOYSA-N 0 2 381.910 3.220 10 0 GGAELN CO[C@H](C)c1nsc(NCCC(=O)Nc2ccc(Br)cc2C)n1 ZINC000509656170 566326806 /nfs/dbraw/zinc/32/68/06/566326806.db2.gz UIDGWWQKQDWENZ-SNVBAGLBSA-N 0 2 399.314 3.179 10 0 GGAELN CCOC(=O)c1oc2ccc(Br)cc2c1CSc1n[nH]c(=O)[nH]1 ZINC000446072254 566327522 /nfs/dbraw/zinc/32/75/22/566327522.db2.gz PCEDTMAMFSWTAY-UHFFFAOYSA-N 0 2 398.238 3.488 10 0 GGAELN C[C@H](CC(=O)N1CCC(c2n[nH]c(=O)[nH]2)CC1)c1ccc(Br)cc1 ZINC000648888306 566327788 /nfs/dbraw/zinc/32/77/88/566327788.db2.gz DGUPVFNGVOWFST-LLVKDONJSA-N 0 2 393.285 3.173 10 0 GGAELN CO[C@@H](C)c1nsc(NC[C@@H]2CCN(c3cccc(Br)c3)C2)n1 ZINC000509681890 566328200 /nfs/dbraw/zinc/32/82/00/566328200.db2.gz WDCGCORBKZTNHV-RYUDHWBXSA-N 0 2 397.342 3.368 10 0 GGAELN O=C(Nc1nc(-c2ccccc2Cl)n[nH]1)c1cc[nH]c(=O)c1Br ZINC000446168088 566333562 /nfs/dbraw/zinc/33/35/62/566333562.db2.gz NXYIAQQCZSCJTJ-UHFFFAOYSA-N 0 2 394.616 3.241 10 0 GGAELN CC(=O)Nc1cc(F)c(S(=O)(=O)NC[C@]2(C)C[C@H]3C[C@H]3C2)c(F)c1Cl ZINC000625562430 566336940 /nfs/dbraw/zinc/33/69/40/566336940.db2.gz ZXLCFIBVJJOEQH-WRBXQSRGSA-N 0 2 392.855 3.291 10 0 GGAELN C[C@@H]1CN(C(=O)c2cc(Br)c(F)cc2O)C[C@@H](C(F)(F)F)O1 ZINC000649027460 566339474 /nfs/dbraw/zinc/33/94/74/566339474.db2.gz LNCBJJJLBLYBLV-KBUNVGBDSA-N 0 2 386.139 3.086 10 0 GGAELN CCOC(=O)[C@H](CCOC(C)(C)C)NC(=O)c1cc(F)c(O)c(Cl)c1 ZINC000446302070 566341635 /nfs/dbraw/zinc/34/16/35/566341635.db2.gz IDAYBDBJMUKYHE-ZDUSSCGKSA-N 0 2 375.824 3.051 10 0 GGAELN O=C(N[C@@H]1CC[C@@H]2C[C@@H]2C1)c1cccc(NS(=O)(=O)c2cccs2)c1 ZINC000649168869 566349416 /nfs/dbraw/zinc/34/94/16/566349416.db2.gz JOCDWWWDOBOCAJ-BPLDGKMQSA-N 0 2 376.503 3.467 10 0 GGAELN COc1ccc(Cl)cc1CNS(=O)(=O)c1c(F)c(F)cc(F)c1F ZINC000509976362 566352577 /nfs/dbraw/zinc/35/25/77/566352577.db2.gz YVBOQZZDPFQRHI-UHFFFAOYSA-N 0 2 383.750 3.384 10 0 GGAELN COC(=O)c1sc(NS(=O)(=O)C[C@@H](OC)c2ccc(F)cc2)cc1C ZINC000600640348 566354457 /nfs/dbraw/zinc/35/44/57/566354457.db2.gz INDIXXIPXVEDMR-CYBMUJFWSA-N 0 2 387.454 3.112 10 0 GGAELN COC(=O)[C@H](C)Oc1ccc(NS(=O)(=O)c2cc(C)c(C)s2)cc1F ZINC000600663052 566355243 /nfs/dbraw/zinc/35/52/43/566355243.db2.gz UCQKZASMTVVBMO-JTQLQIEISA-N 0 2 387.454 3.245 10 0 GGAELN COCCc1cc(NS(=O)(=O)c2c(C)sc3c2cccc3C)n(C)n1 ZINC000421226462 566355881 /nfs/dbraw/zinc/35/58/81/566355881.db2.gz BHCLDVKXFAKVKM-UHFFFAOYSA-N 0 2 379.507 3.241 10 0 GGAELN COc1ccc(S(=O)(=O)Nc2ccc(OC)nc2C(F)(F)F)c(F)c1 ZINC000670329397 566357699 /nfs/dbraw/zinc/35/76/99/566357699.db2.gz GNJFPFICVYONPW-UHFFFAOYSA-N 0 2 380.319 3.058 10 0 GGAELN COC(=O)c1cc(C)sc1NS(=O)(=O)C[C@@H](OC)c1ccc(F)cc1 ZINC000600668373 566357764 /nfs/dbraw/zinc/35/77/64/566357764.db2.gz LTGWHLFYOOXARA-CQSZACIVSA-N 0 2 387.454 3.112 10 0 GGAELN COc1ccc(NS(=O)(=O)c2cc(F)c(F)c(F)c2)c(C(F)(F)F)n1 ZINC000670329544 566357958 /nfs/dbraw/zinc/35/79/58/566357958.db2.gz SYAQWMWJMNOKEY-UHFFFAOYSA-N 0 2 386.273 3.327 10 0 GGAELN O=C(N=c1nc(-c2cccc(Cl)c2)[nH]s1)N1CCO[C@H](C2CCC2)C1 ZINC000557120909 566363553 /nfs/dbraw/zinc/36/35/53/566363553.db2.gz FXRHSXKOPGCSNZ-AWEZNQCLSA-N 0 2 378.885 3.313 10 0 GGAELN COC(=O)c1nscc1NS(=O)(=O)Cc1ccc(Cl)cc1Cl ZINC000446790300 566365262 /nfs/dbraw/zinc/36/52/62/566365262.db2.gz OKRKRJUHWORHGM-UHFFFAOYSA-N 0 2 381.262 3.178 10 0 GGAELN COC(=O)c1c(Cl)cccc1NS(=O)(=O)c1c(C)nn(C(C)C)c1C ZINC000576924192 566389224 /nfs/dbraw/zinc/38/92/24/566389224.db2.gz BDBTZSZAVOZOLI-UHFFFAOYSA-N 0 2 385.873 3.322 10 0 GGAELN COc1cc(C)cc(NS(=O)(=O)c2cnc3c(Cl)c(C)nn3c2)c1C ZINC000447265094 566398261 /nfs/dbraw/zinc/39/82/61/566398261.db2.gz PZWBBMSCWJOPMR-UHFFFAOYSA-N 0 2 380.857 3.117 10 0 GGAELN Cn1c(=O)ccc2ccc(NS(=O)(=O)c3sccc3Br)cc21 ZINC000447260761 566398646 /nfs/dbraw/zinc/39/86/46/566398646.db2.gz NQVCQUKLGUDCGS-UHFFFAOYSA-N 0 2 399.291 3.163 10 0 GGAELN COC(=O)c1ccc(S(=O)(=O)Nc2ccnn2CCC(C)C)cc1Cl ZINC000577050895 566399440 /nfs/dbraw/zinc/39/94/40/566399440.db2.gz NPLVRBBVDXTZML-UHFFFAOYSA-N 0 2 385.873 3.170 10 0 GGAELN O=S(=O)(Nc1ccc(C(F)(F)F)nn1)c1ccc(Br)cc1 ZINC000484031088 566413569 /nfs/dbraw/zinc/41/35/69/566413569.db2.gz AHKYBZZTYGWKCP-UHFFFAOYSA-N 0 2 382.161 3.059 10 0 GGAELN CC(C)Cc1nsc(NCc2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)n1 ZINC000447686417 566422925 /nfs/dbraw/zinc/42/29/25/566422925.db2.gz FJIDUPNRUINFBE-UHFFFAOYSA-N 0 2 393.456 3.193 10 0 GGAELN O=C(N=c1nc(-c2cccc(Cl)c2)[nH]s1)N1CCC(C2(O)CC2)CC1 ZINC000650125742 566425102 /nfs/dbraw/zinc/42/51/02/566425102.db2.gz MLNUAIQZOFLUPH-UHFFFAOYSA-N 0 2 378.885 3.049 10 0 GGAELN Cc1nc(=NC(=O)N[C@@H]2CCCSc3ccc(Br)cc32)[nH]n1C ZINC000626572149 566425601 /nfs/dbraw/zinc/42/56/01/566425601.db2.gz YLURCNHTXDJRJU-GFCCVEGCSA-N 0 2 396.314 3.057 10 0 GGAELN COc1cc(OC)c(OC)cc1NS(=O)(=O)c1c(F)cccc1Cl ZINC000463778106 566433165 /nfs/dbraw/zinc/43/31/65/566433165.db2.gz MMHPOBXKRKOUTK-UHFFFAOYSA-N 0 2 375.805 3.306 10 0 GGAELN C[C@@H]1COCC[C@@H]1C(=O)N=c1ccc(-c2ccc(Br)s2)n[nH]1 ZINC000484584001 566439396 /nfs/dbraw/zinc/43/93/96/566439396.db2.gz NNSMPGMGTVECDX-ZJUUUORDSA-N 0 2 382.283 3.001 10 0 GGAELN Cc1cc(Br)cc(C)c1S(=O)(=O)Nc1ccn(CC(F)F)n1 ZINC000484604236 566440313 /nfs/dbraw/zinc/44/03/13/566440313.db2.gz VRQOBNMZZFIDTP-UHFFFAOYSA-N 0 2 394.241 3.328 10 0 GGAELN CN(C(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1)C1(C)CCCC1 ZINC000577575445 566446524 /nfs/dbraw/zinc/44/65/24/566446524.db2.gz RRKDXMAUBQAZQA-UHFFFAOYSA-N 0 2 379.507 3.349 10 0 GGAELN Cc1ccsc1-c1nc(=NC(=O)NC[C@@](C)(O)C2CCCCC2)s[nH]1 ZINC000484749123 566452142 /nfs/dbraw/zinc/45/21/42/566452142.db2.gz GNYIIKPLVSSDMM-QGZVFWFLSA-N 0 2 380.539 3.450 10 0 GGAELN Cc1ccsc1-c1nc(=NC(=O)NC[C@](C)(O)C2CCCCC2)s[nH]1 ZINC000484749122 566452239 /nfs/dbraw/zinc/45/22/39/566452239.db2.gz GNYIIKPLVSSDMM-KRWDZBQOSA-N 0 2 380.539 3.450 10 0 GGAELN O=C(N=c1nc(-c2ccsc2)[nH]s1)N[C@H]1CCOc2c(F)cccc21 ZINC000447987027 566452618 /nfs/dbraw/zinc/45/26/18/566452618.db2.gz DFXLCDGPLUIZNS-LBPRGKRZSA-N 0 2 376.438 3.473 10 0 GGAELN O=C(N=c1nc(-c2ccsc2)[nH]s1)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000448009462 566453946 /nfs/dbraw/zinc/45/39/46/566453946.db2.gz JSDWAFMMQQNVGB-XQQFMLRXSA-N 0 2 376.507 3.158 10 0 GGAELN C[C@@H](NC(=O)N=c1nc(-c2ccsc2)[nH]s1)c1ccc([S@@](C)=O)cc1 ZINC000448002788 566454022 /nfs/dbraw/zinc/45/40/22/566454022.db2.gz XECRYEPAPHWPQX-REFGNXHDSA-N 0 2 392.531 3.309 10 0 GGAELN COCC[C@H](NC(=O)N=c1nc(-c2ccsc2)[nH]s1)c1ccc(C)o1 ZINC000447999339 566454199 /nfs/dbraw/zinc/45/41/99/566454199.db2.gz MBEXRSPTUZRPOP-LBPRGKRZSA-N 0 2 378.479 3.489 10 0 GGAELN CC(C)n1cnc(NS(=O)(=O)c2ccc(Cl)c(Br)c2)n1 ZINC000650487428 566460411 /nfs/dbraw/zinc/46/04/11/566460411.db2.gz JKXOQAININIZON-UHFFFAOYSA-N 0 2 379.667 3.076 10 0 GGAELN CCc1nn(C)c(CC)c1CC(=O)N=c1nc(-c2sccc2C)[nH]s1 ZINC000484855619 566460848 /nfs/dbraw/zinc/46/08/48/566460848.db2.gz WHZYTCYEZQFDMQ-UHFFFAOYSA-N 0 2 375.523 3.036 10 0 GGAELN Cc1cc(Br)c(C(=O)N2CCC(c3n[nH]c(=O)[nH]3)CC2)cc1Cl ZINC000577733976 566460965 /nfs/dbraw/zinc/46/09/65/566460965.db2.gz MDNOPNRKWGTTLJ-UHFFFAOYSA-N 0 2 399.676 3.254 10 0 GGAELN COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)Nc1cc(C)cnc1C ZINC000650489113 566461467 /nfs/dbraw/zinc/46/14/67/566461467.db2.gz ASZQJEUGAGOZJQ-UHFFFAOYSA-N 0 2 383.857 3.120 10 0 GGAELN FC(F)(F)c1cc(Br)ccc1C[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000423020660 566468897 /nfs/dbraw/zinc/46/88/97/566468897.db2.gz CMWHWLLVDVIQRX-GJZGRUSLSA-N 0 2 393.247 3.325 10 0 GGAELN O=C(c1cc(Br)c(F)cc1O)N1CCN(Cc2cccs2)CC1 ZINC000448589311 566480646 /nfs/dbraw/zinc/48/06/46/566480646.db2.gz HPYCVPQTTDHXRT-UHFFFAOYSA-N 0 2 399.285 3.313 10 0 GGAELN COC(=O)c1ccc(Cl)cc1S(=O)(=O)Nc1cccc2c1OCCC2 ZINC000464535634 566482774 /nfs/dbraw/zinc/48/27/74/566482774.db2.gz QETDHYBBJLTSCA-UHFFFAOYSA-N 0 2 381.837 3.252 10 0 GGAELN Cc1nc(C2(NC(=O)c3cc(Br)c(F)cc3O)CCCC2)no1 ZINC000448736137 566491142 /nfs/dbraw/zinc/49/11/42/566491142.db2.gz JYFMJAAACKVIPJ-UHFFFAOYSA-N 0 2 384.205 3.185 10 0 GGAELN Cn1ncc(Cl)c1S(=O)(=O)Nc1cc(F)ccc1SCC(F)F ZINC000485394312 566493638 /nfs/dbraw/zinc/49/36/38/566493638.db2.gz VKPNBYSLOCSKNF-UHFFFAOYSA-N 0 2 385.820 3.371 10 0 GGAELN CCOc1ccc(NS(=O)(=O)c2c(Cl)cnn2C)c(C(F)(F)F)c1 ZINC000485390492 566494114 /nfs/dbraw/zinc/49/41/14/566494114.db2.gz NBCXYTMQSMKEEJ-UHFFFAOYSA-N 0 2 383.779 3.292 10 0 GGAELN Cc1cc(C)c(NS(=O)(=O)c2c(Cl)cnn2C)cc1Br ZINC000485389258 566494202 /nfs/dbraw/zinc/49/42/02/566494202.db2.gz KKZHKUMBIWOGND-UHFFFAOYSA-N 0 2 378.679 3.254 10 0 GGAELN Cn1ncc(Cl)c1S(=O)(=O)Nc1ccc2[nH]c(-c3ccco3)nc2c1 ZINC000485392664 566494324 /nfs/dbraw/zinc/49/43/24/566494324.db2.gz HGXGJYKCURVQDC-UHFFFAOYSA-N 0 2 377.813 3.011 10 0 GGAELN Cc1cc(NS(=O)(=O)c2c(Cl)cnn2C)ccc1Oc1ccncc1 ZINC000485399406 566495395 /nfs/dbraw/zinc/49/53/95/566495395.db2.gz PBVQDAMOJZQGIR-UHFFFAOYSA-N 0 2 378.841 3.370 10 0 GGAELN COCn1nc(C)c(S(=O)(=O)Nc2cc(Cl)c(F)c(Cl)c2)c1C ZINC000424059483 566505792 /nfs/dbraw/zinc/50/57/92/566505792.db2.gz BBSKMNMEOCRMEE-UHFFFAOYSA-N 0 2 382.244 3.351 10 0 GGAELN COCn1nc(C)c(S(=O)(=O)Nc2cc(Cl)c(Cl)cc2OC)c1C ZINC000424061320 566506106 /nfs/dbraw/zinc/50/61/06/566506106.db2.gz FGUIGXJFMAFBTO-UHFFFAOYSA-N 0 2 394.280 3.220 10 0 GGAELN Cc1ccc(C(F)(F)F)cc1S(=O)(=O)Nc1cc([C@H]2CCCO2)[nH]n1 ZINC000558792852 566507420 /nfs/dbraw/zinc/50/74/20/566507420.db2.gz AVPDKAMVKSPRGK-GFCCVEGCSA-N 0 2 375.372 3.389 10 0 GGAELN COCn1nc(C)c(S(=O)(=O)Nc2cc(Cl)ccc2SC)c1C ZINC000424062440 566507785 /nfs/dbraw/zinc/50/77/85/566507785.db2.gz GQIDFTMXIXKIPI-UHFFFAOYSA-N 0 2 375.903 3.280 10 0 GGAELN COCn1nc(C)c(S(=O)(=O)Nc2cccc(Cl)c2OC(C)C)c1C ZINC000424066456 566507916 /nfs/dbraw/zinc/50/79/16/566507916.db2.gz SWAJNGIQIUFVIH-UHFFFAOYSA-N 0 2 387.889 3.345 10 0 GGAELN Cc1nc(C(F)(F)F)c(CS(=O)(=O)c2n[nH]c(-c3ccccc3)n2)s1 ZINC000578290844 566508341 /nfs/dbraw/zinc/50/83/41/566508341.db2.gz DXGHYQNTVWNDOZ-UHFFFAOYSA-N 0 2 388.396 3.229 10 0 GGAELN C[C@H](NC(=O)c1cc(Br)c(F)cc1O)c1nc(C(F)(F)F)no1 ZINC000627822426 566511240 /nfs/dbraw/zinc/51/12/40/566511240.db2.gz QLBXUMWNTKHJMP-BYPYZUCNSA-N 0 2 398.110 3.187 10 0 GGAELN COCc1cc(Cl)ccc1NS(=O)(=O)c1c(C)csc1C(=O)OC ZINC000424091401 566511500 /nfs/dbraw/zinc/51/15/00/566511500.db2.gz ZJLFRPPJXRFEOU-UHFFFAOYSA-N 0 2 389.882 3.444 10 0 GGAELN C[C@H]1CCC[N@H+](CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)[C@H]1C(=O)[O-] ZINC000424263079 566523659 /nfs/dbraw/zinc/52/36/59/566523659.db2.gz GWWPYANNQRYLKF-LKFCYVNXSA-N 0 2 376.787 3.065 10 0 GGAELN C[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)[C@H]1C(=O)[O-] ZINC000424263079 566523665 /nfs/dbraw/zinc/52/36/65/566523665.db2.gz GWWPYANNQRYLKF-LKFCYVNXSA-N 0 2 376.787 3.065 10 0 GGAELN O=S(=O)(N[C@H](c1nccs1)C(F)(F)F)c1cc(F)c(F)cc1F ZINC000559140945 566527818 /nfs/dbraw/zinc/52/78/18/566527818.db2.gz SDBMVSXIJZNBOT-SECBINFHSA-N 0 2 376.303 3.142 10 0 GGAELN C[C@]1(CNC(=O)N=c2nc(-c3ccsc3)[nH]s2)OCCc2sccc21 ZINC000578540881 566532189 /nfs/dbraw/zinc/53/21/89/566532189.db2.gz OALQNLZVWHPJGA-MRXNPFEDSA-N 0 2 392.531 3.360 10 0 GGAELN O=C(Nc1cnc2c(Br)cccn12)c1cc(F)c(F)c(O)c1F ZINC000673528390 566541162 /nfs/dbraw/zinc/54/11/62/566541162.db2.gz VSSBGYMUCMJRRA-UHFFFAOYSA-N 0 2 386.127 3.472 10 0 GGAELN CC(C)(C)OCC(=O)NC(C)(C)C(=O)Nc1cc(Cl)cc(Cl)c1O ZINC000651629148 566545209 /nfs/dbraw/zinc/54/52/09/566545209.db2.gz KWFJVDDJOJEJNE-UHFFFAOYSA-N 0 2 377.268 3.347 10 0 GGAELN CCCn1cc(CNc2cccc(S(=O)(=O)Nc3nccs3)c2)cn1 ZINC000512652913 566547196 /nfs/dbraw/zinc/54/71/96/566547196.db2.gz SOQOKWDNXFAIPX-UHFFFAOYSA-N 0 2 377.495 3.163 10 0 GGAELN COC(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2cnccc21 ZINC000603971724 566549127 /nfs/dbraw/zinc/54/91/27/566549127.db2.gz NYPPSOCOCOELGA-UHFFFAOYSA-N 0 2 376.821 3.476 10 0 GGAELN COc1ccc(-c2nc(NS(=O)(=O)C[C@H](OC)C3CC3)sc2C)cc1 ZINC000578867320 566560720 /nfs/dbraw/zinc/56/07/20/566560720.db2.gz NOKDEJCWWYFNAZ-HNNXBMFYSA-N 0 2 382.507 3.294 10 0 GGAELN CO[C@H](C(=O)N=c1nc(C2(C)CC2)[nH]s1)c1ccccc1Br ZINC000628540293 566565473 /nfs/dbraw/zinc/56/54/73/566565473.db2.gz BTVOZTAGZDLVAD-NSHDSACASA-N 0 2 382.283 3.100 10 0 GGAELN COC(=O)c1ccc(S(=O)(=O)Nc2cncc3ccccc32)cc1Cl ZINC000559704623 566567290 /nfs/dbraw/zinc/56/72/90/566567290.db2.gz SBSMZWKJYKFIJA-UHFFFAOYSA-N 0 2 376.821 3.476 10 0 GGAELN COCc1csc(NS(=O)(=O)c2c(C)cc(Br)cc2C)n1 ZINC000604691511 566573908 /nfs/dbraw/zinc/57/39/08/566573908.db2.gz ZMJPIEBYJCOHFX-UHFFFAOYSA-N 0 2 391.312 3.470 10 0 GGAELN COc1cc(Br)ccc1[C@H]1CCCN1C(=O)c1n[nH]c(C)c1O ZINC000628676925 566575710 /nfs/dbraw/zinc/57/57/10/566575710.db2.gz OSYSMYNQBDNKTC-GFCCVEGCSA-N 0 2 380.242 3.172 10 0 GGAELN O=S(=O)(Nc1cc(Cl)ccc1OCC1CCC1)c1cnc2n1CCC2 ZINC000466472044 566577997 /nfs/dbraw/zinc/57/79/97/566577997.db2.gz FPSLZXLLRVZCDK-UHFFFAOYSA-N 0 2 381.885 3.462 10 0 GGAELN O=S(=O)(Nc1nsc(-c2ccccc2)n1)c1cnccc1C(F)(F)F ZINC000579138635 566583715 /nfs/dbraw/zinc/58/37/15/566583715.db2.gz UVLVKHYRVIBLCV-UHFFFAOYSA-N 0 2 386.380 3.420 10 0 GGAELN COc1cc(OC)c(S(=O)(=O)Nc2cnc(C)nc2C2CC2)cc1Cl ZINC000579211275 566589836 /nfs/dbraw/zinc/58/98/36/566589836.db2.gz MUCRQOWPUFEKSH-UHFFFAOYSA-N 0 2 383.857 3.134 10 0 GGAELN C[C@@H]1Cc2cc(S(=O)(=O)Nc3nc4cc(F)ccc4[nH]3)cc(Cl)c2O1 ZINC000486553092 566597633 /nfs/dbraw/zinc/59/76/33/566597633.db2.gz XZCFCYGFLBNIBP-MRVPVSSYSA-N 0 2 381.816 3.480 10 0 GGAELN Cn1c(=O)ccc2ccc(NS(=O)(=O)c3c(Cl)ccc(F)c3F)cc21 ZINC000579384499 566604138 /nfs/dbraw/zinc/60/41/38/566604138.db2.gz VNCKCIUHLORHKA-UHFFFAOYSA-N 0 2 384.791 3.271 10 0 GGAELN COc1cc(C)c(NS(=O)(=O)c2cccnc2C(F)(F)F)cc1OC ZINC000579396667 566606177 /nfs/dbraw/zinc/60/61/77/566606177.db2.gz HRMGLHXNOKFHPT-UHFFFAOYSA-N 0 2 376.356 3.227 10 0 GGAELN O=C(Cc1cscc1Br)Nc1cccc(-c2n[nH]c(=O)[nH]2)c1 ZINC000513589765 566611241 /nfs/dbraw/zinc/61/12/41/566611241.db2.gz LKTQXSRRQQIRAL-UHFFFAOYSA-N 0 2 379.239 3.183 10 0 GGAELN CN1C(=O)C[C@@H](C(=O)Nc2cc(Cl)cc(Cl)c2O)[C@H]1c1cccnc1 ZINC000579535223 566617206 /nfs/dbraw/zinc/61/72/06/566617206.db2.gz DRDUNPDIWNEWKU-IAQYHMDHSA-N 0 2 380.231 3.252 10 0 GGAELN Cc1ccsc1-c1nc(=NC(=O)N[C@@H](C(C)C)C2(CO)CCC2)s[nH]1 ZINC000579564386 566618953 /nfs/dbraw/zinc/61/89/53/566618953.db2.gz QTCUWTVKYHSCBZ-ZDUSSCGKSA-N 0 2 380.539 3.306 10 0 GGAELN Cc1ccsc1-c1nc(=NC(=O)N[C@H](C(C)C)C2(CO)CCC2)s[nH]1 ZINC000579564385 566619313 /nfs/dbraw/zinc/61/93/13/566619313.db2.gz QTCUWTVKYHSCBZ-CYBMUJFWSA-N 0 2 380.539 3.306 10 0 GGAELN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)c1cc(Br)c(F)cc1O ZINC000449963028 566620827 /nfs/dbraw/zinc/62/08/27/566620827.db2.gz WQDSLXPBVSAACO-QMMMGPOBSA-N 0 2 384.249 3.005 10 0 GGAELN COc1ccc(NS(=O)(=O)c2cc(Br)cc3cccnc32)nc1 ZINC000675104430 566623222 /nfs/dbraw/zinc/62/32/22/566623222.db2.gz OCKYCTHXIYASNL-UHFFFAOYSA-N 0 2 394.250 3.202 10 0 GGAELN CC1(C)OCC[C@@H]1NC(=O)N=c1ccc(-c2ccc(Br)s2)n[nH]1 ZINC000560433471 566625606 /nfs/dbraw/zinc/62/56/06/566625606.db2.gz UBRPFUUDLBCHFU-NSHDSACASA-N 0 2 397.298 3.079 10 0 GGAELN Cc1ccc(Cl)c(S(=O)(=O)Nc2cnn(-c3ncccn3)c2)c1Cl ZINC000606344383 566627454 /nfs/dbraw/zinc/62/74/54/566627454.db2.gz HUPJLZJZZRHQMS-UHFFFAOYSA-N 0 2 384.248 3.078 10 0 GGAELN CCc1cnc(NS(=O)(=O)c2cc(Br)cc3cccnc32)o1 ZINC000675189550 566627765 /nfs/dbraw/zinc/62/77/65/566627765.db2.gz QGIUIGHTVHMQQI-UHFFFAOYSA-N 0 2 382.239 3.349 10 0 GGAELN C[C@@H](N1CCN(C(=O)c2cc(Br)c(F)cc2O)CC1)C(F)(F)F ZINC000450048819 566628820 /nfs/dbraw/zinc/62/88/20/566628820.db2.gz OSHYEIHRFXLXHG-MRVPVSSYSA-N 0 2 399.182 3.002 10 0 GGAELN CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)c2cc(Br)c(F)cc2O)C1 ZINC000450068983 566630446 /nfs/dbraw/zinc/63/04/46/566630446.db2.gz URBNDKVUBUNALO-QKESZYPNSA-N 0 2 392.290 3.103 10 0 GGAELN O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)[C@@H]1C[C@H]1C(F)(F)F ZINC000450086231 566631471 /nfs/dbraw/zinc/63/14/71/566631471.db2.gz KUWMSVKQKUVEHD-GHMZBOCLSA-N 0 2 391.396 3.081 10 0 GGAELN COCCOc1ccc(NS(=O)(=O)c2ccc(C)c(F)c2F)cc1F ZINC000629288844 566634497 /nfs/dbraw/zinc/63/44/97/566634497.db2.gz LEWXEZITFLWCLV-UHFFFAOYSA-N 0 2 375.368 3.238 10 0 GGAELN COc1c(Cl)cccc1NS(=O)(=O)C[C@@H](Cc1ccc(F)cc1)OC ZINC000629287783 566635033 /nfs/dbraw/zinc/63/50/33/566635033.db2.gz XCCAGRMEZHGQMH-CQSZACIVSA-N 0 2 387.860 3.487 10 0 GGAELN CCO[C@H](CS(=O)(=O)Nc1cc(C)n(-c2cccc(Cl)c2)n1)C1CC1 ZINC000629291469 566637060 /nfs/dbraw/zinc/63/70/60/566637060.db2.gz HGVAQZMASSWRBU-MRXNPFEDSA-N 0 2 383.901 3.391 10 0 GGAELN CCO[C@@H](CS(=O)(=O)Nc1cc(C)n(-c2cccc(Cl)c2)n1)C1CC1 ZINC000629291468 566637166 /nfs/dbraw/zinc/63/71/66/566637166.db2.gz HGVAQZMASSWRBU-INIZCTEOSA-N 0 2 383.901 3.391 10 0 GGAELN CCO[C@H](CS(=O)(=O)Nc1cc(C)cc(Br)c1O)C1CC1 ZINC000629291977 566637504 /nfs/dbraw/zinc/63/75/04/566637504.db2.gz UPYPKSRNKBVVKS-CYBMUJFWSA-N 0 2 378.288 3.020 10 0 GGAELN Cn1ccnc1C[C@@H]1CCCN(C(=O)c2cc(Br)c(F)cc2O)C1 ZINC000450144974 566638367 /nfs/dbraw/zinc/63/83/67/566638367.db2.gz QGZZJLTWYJBXBE-NSHDSACASA-N 0 2 396.260 3.122 10 0 GGAELN Cc1cc(Br)c(F)cc1S(=O)(=O)Nc1cn(C)nc1C1CC1 ZINC000629303970 566641125 /nfs/dbraw/zinc/64/11/25/566641125.db2.gz JNZVGIZDABWSDF-UHFFFAOYSA-N 0 2 388.262 3.308 10 0 GGAELN COc1c(C)cc(Cl)cc1NS(=O)(=O)c1coc(C(=O)N(C)C)c1C ZINC000629322077 566642244 /nfs/dbraw/zinc/64/22/44/566642244.db2.gz FEOCBKRDBQXSDE-UHFFFAOYSA-N 0 2 386.857 3.061 10 0 GGAELN COCc1ccc(NS(=O)(=O)c2cnccc2C(F)(F)F)cc1OC ZINC000629329111 566644774 /nfs/dbraw/zinc/64/47/74/566644774.db2.gz FXZXTTGAOXYQIK-UHFFFAOYSA-N 0 2 376.356 3.056 10 0 GGAELN CO[C@H](CS(=O)(=O)Nc1cc(C(F)(F)F)ccn1)c1ccc(F)cc1 ZINC000629350127 566648282 /nfs/dbraw/zinc/64/82/82/566648282.db2.gz GQOOHZOWYFWBQD-CYBMUJFWSA-N 0 2 378.347 3.369 10 0 GGAELN CCn1nc(C)cc1NS(=O)(=O)c1ccc2c(Br)cn(C)c2c1 ZINC000629352503 566649411 /nfs/dbraw/zinc/64/94/11/566649411.db2.gz NUNXQZNNAHCMLG-UHFFFAOYSA-N 0 2 397.298 3.266 10 0 GGAELN CSc1cncc(NS(=O)(=O)c2cc3c(cc2Cl)N(C(C)=O)CC3)c1 ZINC000629351820 566649440 /nfs/dbraw/zinc/64/94/40/566649440.db2.gz HMOPOQXNOSGNSU-UHFFFAOYSA-N 0 2 397.909 3.167 10 0 GGAELN O=C([O-])[C@@H]1CC[N@H+](Cc2nc3ccc(Br)cc3[nH]2)[C@H]2CCC[C@H]21 ZINC000629377214 566652693 /nfs/dbraw/zinc/65/26/93/566652693.db2.gz MBDIDLXGSPRCOE-ZOWXZIJZSA-N 0 2 378.270 3.401 10 0 GGAELN O=C([O-])[C@@H]1CC[N@@H+](Cc2nc3ccc(Br)cc3[nH]2)[C@H]2CCC[C@H]21 ZINC000629377214 566652697 /nfs/dbraw/zinc/65/26/97/566652697.db2.gz MBDIDLXGSPRCOE-ZOWXZIJZSA-N 0 2 378.270 3.401 10 0 GGAELN CC[C@H]1CN(C(=O)c2cc(Br)c(F)cc2O)CCN1CC(F)F ZINC000450320304 566659005 /nfs/dbraw/zinc/65/90/05/566659005.db2.gz NTTGIKAFMDUFOA-VIFPVBQESA-N 0 2 395.219 3.095 10 0 GGAELN COC(=O)C1(c2ccc(S(=O)(=O)Nc3nc(C(C)C)cs3)cc2)CC1 ZINC000540649173 566662833 /nfs/dbraw/zinc/66/28/33/566662833.db2.gz OGBNFZAYUHBROY-UHFFFAOYSA-N 0 2 380.491 3.272 10 0 GGAELN Cc1nn(C)c(C)c1CCCNC(=O)c1cc(Br)c(F)cc1O ZINC000450403725 566669146 /nfs/dbraw/zinc/66/91/46/566669146.db2.gz MRMFRMRNFKBFAR-UHFFFAOYSA-N 0 2 384.249 3.007 10 0 GGAELN COC(=O)C1(N(C)C(=O)c2cc(Br)c(F)cc2O)CCCCC1 ZINC000450436726 566670689 /nfs/dbraw/zinc/67/06/89/566670689.db2.gz HGIUUHBVXQKUNW-UHFFFAOYSA-N 0 2 388.233 3.242 10 0 GGAELN Cc1nc(NS(=O)(=O)c2cn3c(n2)CCC[C@@H]3C)sc1C(F)(F)F ZINC000561088059 566674495 /nfs/dbraw/zinc/67/44/95/566674495.db2.gz UEMKEDOZEHZHJM-ZETCQYMHSA-N 0 2 380.417 3.365 10 0 GGAELN Cc1cc(C2(NC(=O)c3cc(Br)c(F)cc3O)CCOCC2)on1 ZINC000629724206 566679302 /nfs/dbraw/zinc/67/93/02/566679302.db2.gz QFXDPRDSBRHYAV-UHFFFAOYSA-N 0 2 399.216 3.026 10 0 GGAELN Cc1ccsc1-c1nc(=NC(=O)N[C@@H](C)CCC(=O)OC(C)C)s[nH]1 ZINC000468002101 566679645 /nfs/dbraw/zinc/67/96/45/566679645.db2.gz FDYBTVJIKYWPGV-NSHDSACASA-N 0 2 382.511 3.239 10 0 GGAELN COc1cc(Cl)ccc1S(=O)(=O)Nc1cc(C)nn1C1CCOCC1 ZINC000676351214 566686954 /nfs/dbraw/zinc/68/69/54/566686954.db2.gz PXNAWWKSKFSCAD-UHFFFAOYSA-N 0 2 385.873 3.006 10 0 GGAELN COC(=O)c1ccc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)cn1 ZINC000541083211 566696258 /nfs/dbraw/zinc/69/62/58/566696258.db2.gz ZVEFERRRGVODAA-UHFFFAOYSA-N 0 2 394.758 3.341 10 0 GGAELN CCC1(CC)CN(C(=O)c2cc(Br)c(F)cc2O)CC[S@@]1=O ZINC000450679707 566696348 /nfs/dbraw/zinc/69/63/48/566696348.db2.gz KOLPORDJBQJZBS-QFIPXVFZSA-N 0 2 392.290 3.057 10 0 GGAELN O=S(=O)(Nc1cncc(Br)c1)c1cccnc1C(F)(F)F ZINC000580492244 566698383 /nfs/dbraw/zinc/69/83/83/566698383.db2.gz HJPCPLPVOKQYTC-UHFFFAOYSA-N 0 2 382.161 3.059 10 0 GGAELN COc1cc(OC)c(C[C@@H](C)Nc2nc(C(F)(F)F)ns2)c(OC)c1 ZINC000450713168 566699277 /nfs/dbraw/zinc/69/92/77/566699277.db2.gz SHANTYUJAXXJIP-MRVPVSSYSA-N 0 2 377.388 3.048 10 0 GGAELN COc1ccc(S(=O)(=O)Nc2ncn(C(C)(C)C)n2)c(Cl)c1Cl ZINC000541286249 566710023 /nfs/dbraw/zinc/71/00/23/566710023.db2.gz RRXHOCKJOBCANR-UHFFFAOYSA-N 0 2 379.269 3.149 10 0 GGAELN COc1cc(OC)c(S(=O)(=O)Nc2ccc3ncsc3c2)c(OC)c1 ZINC000488222875 566716559 /nfs/dbraw/zinc/71/65/59/566716559.db2.gz APHAVFXUCQCMBS-UHFFFAOYSA-N 0 2 380.447 3.123 10 0 GGAELN O=C(c1cccc(NS(=O)(=O)c2cccs2)c1)N1CC2(CC(F)C2)C1 ZINC000677103924 566723931 /nfs/dbraw/zinc/72/39/31/566723931.db2.gz BSDWBHYXIBBZNX-UHFFFAOYSA-N 0 2 380.466 3.123 10 0 GGAELN O=C([O-])c1csc(C[NH2+]Cc2cccc(Br)c2OC(F)F)n1 ZINC000426675877 566724250 /nfs/dbraw/zinc/72/42/50/566724250.db2.gz WVBGCUUHMDHKDW-UHFFFAOYSA-N 0 2 393.209 3.495 10 0 GGAELN COc1ccc([C@@H](C)NC(=O)N=c2ncn(C(C)(C)C)[nH]2)cc1Br ZINC000541503886 566729216 /nfs/dbraw/zinc/72/92/16/566729216.db2.gz MQVYMUIYNZNRFY-SNVBAGLBSA-N 0 2 396.289 3.109 10 0 GGAELN COc1ccc([C@H](C)NC(=O)N=c2ncn(C(C)(C)C)[nH]2)cc1Br ZINC000541503882 566729530 /nfs/dbraw/zinc/72/95/30/566729530.db2.gz MQVYMUIYNZNRFY-JTQLQIEISA-N 0 2 396.289 3.109 10 0 GGAELN CC(C)COc1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)nn2)cc1 ZINC000468792320 566729999 /nfs/dbraw/zinc/72/99/99/566729999.db2.gz BZBQHIYOWLGMOG-UHFFFAOYSA-N 0 2 375.372 3.331 10 0 GGAELN O=C([O-])[C@H]([NH2+]Cc1ccnn1CC1CCC1)c1ccccc1Br ZINC000630453745 566732181 /nfs/dbraw/zinc/73/21/81/566732181.db2.gz UXKGXNVQYSNGTP-MRXNPFEDSA-N 0 2 378.270 3.361 10 0 GGAELN O=C([O-])[C@@H]([NH2+]Cc1ccnn1CC1CCC1)c1ccccc1Br ZINC000630453744 566732743 /nfs/dbraw/zinc/73/27/43/566732743.db2.gz UXKGXNVQYSNGTP-INIZCTEOSA-N 0 2 378.270 3.361 10 0 GGAELN Cc1ccsc1-c1nc(=NC(=O)N2CCC[C@H]2[C@@H]2CCCOC2)s[nH]1 ZINC000515840070 566736452 /nfs/dbraw/zinc/73/64/52/566736452.db2.gz DDZIYCCEIYVWMH-OLZOCXBDSA-N 0 2 378.523 3.420 10 0 GGAELN O=C([O-])[C@@H]([NH2+]Cc1csc(COc2ccc(Cl)cc2)n1)[C@H]1CCCO1 ZINC000630470455 566736851 /nfs/dbraw/zinc/73/68/51/566736851.db2.gz VDLNHCJHHXSFRO-ZBFHGGJFSA-N 0 2 382.869 3.097 10 0 GGAELN CCOC(=O)c1cc(S(=O)(=O)Nc2cscc2C)cnc1C(F)F ZINC000451023270 566737179 /nfs/dbraw/zinc/73/71/79/566737179.db2.gz KFEHNICHCUPKCM-UHFFFAOYSA-N 0 2 376.406 3.367 10 0 GGAELN COC(=O)c1cc(Cl)c(C)c(S(=O)(=O)Nc2cn(C)nc2C(C)C)c1 ZINC000451047817 566742712 /nfs/dbraw/zinc/74/27/12/566742712.db2.gz UOIJYWDKHRSFOY-UHFFFAOYSA-N 0 2 385.873 3.093 10 0 GGAELN CN1CCc2ccc(S(=O)(=O)Nc3nc(CC(F)(F)F)cs3)cc21 ZINC000451056963 566745396 /nfs/dbraw/zinc/74/53/96/566745396.db2.gz PIWXNJNNGYJYNF-UHFFFAOYSA-N 0 2 377.413 3.041 10 0 GGAELN COc1cc(S(=O)(=O)Nc2nc(-c3cccc(Cl)c3)ns2)ccc1F ZINC000468946926 566747080 /nfs/dbraw/zinc/74/70/80/566747080.db2.gz MIDYOMIWFRWMTN-UHFFFAOYSA-N 0 2 399.856 3.229 10 0 GGAELN Cc1c(S(=O)(=O)Nc2cc(Cl)ccc2OCC(F)(F)F)cnn1C ZINC000427112672 566747888 /nfs/dbraw/zinc/74/78/88/566747888.db2.gz CIHXBVQGEIBNPF-UHFFFAOYSA-N 0 2 383.779 3.124 10 0 GGAELN CCCc1cc(NS(=O)(=O)c2cc(Cl)ccc2O[C@@H](C)COC)[nH]n1 ZINC000468978948 566750588 /nfs/dbraw/zinc/75/05/88/566750588.db2.gz OPPBCEHVLSNTSU-NSHDSACASA-N 0 2 387.889 3.230 10 0 GGAELN Cn1ncc(NS(=O)(=O)c2ccc(Br)c(F)c2)c1C(F)F ZINC000677552427 566753195 /nfs/dbraw/zinc/75/31/95/566753195.db2.gz RGCMKYLCBAWMNZ-UHFFFAOYSA-N 0 2 384.177 3.060 10 0 GGAELN O=S(=O)(Nc1ccccc1OCCF)c1cc2c(cc1Cl)OCCO2 ZINC000451090531 566753746 /nfs/dbraw/zinc/75/37/46/566753746.db2.gz ZWAXQHNQCSNHTB-UHFFFAOYSA-N 0 2 387.816 3.260 10 0 GGAELN Cc1ccsc1-c1nc(=NC(=O)N2CC(C)(C)[C@H]2[C@@H]2CCCO2)s[nH]1 ZINC000562022708 566757660 /nfs/dbraw/zinc/75/76/60/566757660.db2.gz WUBBPHPADCWAFA-WCQYABFASA-N 0 2 378.523 3.418 10 0 GGAELN Cc1ccsc1-c1nc(=NC(=O)N2CC(C)(C)[C@@H]2[C@@H]2CCCO2)s[nH]1 ZINC000562022706 566758108 /nfs/dbraw/zinc/75/81/08/566758108.db2.gz WUBBPHPADCWAFA-AAEUAGOBSA-N 0 2 378.523 3.418 10 0 GGAELN Cc1nc2ccc(S(=O)(=O)Nc3ccn(CC(F)(F)F)n3)cc2s1 ZINC000427257913 566761412 /nfs/dbraw/zinc/76/14/12/566761412.db2.gz AZWJHWBJHSLWKY-UHFFFAOYSA-N 0 2 376.385 3.164 10 0 GGAELN Cn1cc([C@@H]2N(C(=O)c3cc(Br)c(F)cc3O)CC2(C)C)cn1 ZINC000581256636 566762038 /nfs/dbraw/zinc/76/20/38/566762038.db2.gz ZQTWSYXLCJLPRG-AWEZNQCLSA-N 0 2 382.233 3.251 10 0 GGAELN CC[C@H](NS(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F)C(F)(F)F ZINC000469135016 566764432 /nfs/dbraw/zinc/76/44/32/566764432.db2.gz KBIAMYYUJNRUGC-NSHDSACASA-N 0 2 376.759 3.057 10 0 GGAELN CCOC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2cc(C(F)(F)F)[nH]n2)c1 ZINC000427284437 566764820 /nfs/dbraw/zinc/76/48/20/566764820.db2.gz MLXHAPAEFIECHV-UHFFFAOYSA-N 0 2 397.762 3.059 10 0 GGAELN COc1cc(CNc2nc(C3CCOCC3)ns2)c(SC)cc1OC ZINC000630957032 566765750 /nfs/dbraw/zinc/76/57/50/566765750.db2.gz YTXNNWDXKNVNFN-UHFFFAOYSA-N 0 2 381.523 3.205 10 0 GGAELN CO[C@H]1CC[C@@H](NC(=O)N=c2ccc(-c3ccc(Br)s3)n[nH]2)C1 ZINC000581347963 566770893 /nfs/dbraw/zinc/77/08/93/566770893.db2.gz STZZQYFSTBSSRT-ZJUUUORDSA-N 0 2 397.298 3.079 10 0 GGAELN COC(=O)Cc1ccc(S(=O)(=O)Nc2nc3cc(Cl)ccc3s2)cc1 ZINC000609603901 566775622 /nfs/dbraw/zinc/77/56/22/566775622.db2.gz HRRQMPIXZZHMDV-UHFFFAOYSA-N 0 2 396.877 3.466 10 0 GGAELN Cc1cc(=NC(=O)c2c(Br)cccc2Br)[nH]nc1C ZINC000542139613 566777093 /nfs/dbraw/zinc/77/70/93/566777093.db2.gz FEZKXOQCZSJFGO-UHFFFAOYSA-N 0 2 385.059 3.293 10 0 GGAELN CCCS(=O)(=O)c1ccc(S(=O)(=O)Nc2nc(C(C)C)cs2)cc1 ZINC000516679347 566777618 /nfs/dbraw/zinc/77/76/18/566777618.db2.gz QJWMEQRXJNKZSO-UHFFFAOYSA-N 0 2 388.536 3.251 10 0 GGAELN C[C@@H]1Cc2cc(S(=O)(=O)Nc3cc([C@H]4CCCO4)[nH]n3)cc(Cl)c2O1 ZINC000562315484 566779953 /nfs/dbraw/zinc/77/99/53/566779953.db2.gz CADJZFUNIKKNDO-YMTOWFKASA-N 0 2 383.857 3.039 10 0 GGAELN CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@@H]2CC3CCC2CC3)c(F)c1Cl ZINC000562344957 566783210 /nfs/dbraw/zinc/78/32/10/566783210.db2.gz HGIKUQREDKYBAK-RTYFJBAXSA-N 0 2 392.855 3.434 10 0 GGAELN CC(C)(C)n1cnc(NS(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)n1 ZINC000542218965 566784282 /nfs/dbraw/zinc/78/42/82/566784282.db2.gz RWSHNMMWBMJXDR-UHFFFAOYSA-N 0 2 380.804 3.089 10 0 GGAELN CCOC(=O)c1csc(NS(=O)(=O)c2ccc3nc(C)sc3c2)n1 ZINC000427631065 566785447 /nfs/dbraw/zinc/78/54/47/566785447.db2.gz PNBAPYLPPGTYSR-UHFFFAOYSA-N 0 2 383.476 3.039 10 0 GGAELN Cc1nc2ccc(S(=O)(=O)Nc3c(C)c(C(F)(F)F)nn3C)cc2s1 ZINC000427748779 566792875 /nfs/dbraw/zinc/79/28/75/566792875.db2.gz ZXNMUKNQWSSHIT-UHFFFAOYSA-N 0 2 390.412 3.466 10 0 GGAELN Cn1nc([C@@H]2CCCOC2)cc1NC(=O)c1cc(Br)c(F)cc1O ZINC000451319090 566794128 /nfs/dbraw/zinc/79/41/28/566794128.db2.gz MOGVGRCBHXMFHZ-SECBINFHSA-N 0 2 398.232 3.174 10 0 GGAELN Cc1[nH]nc(C(=O)N2CCN(c3cc(Cl)c(Cl)c(Cl)c3)CC2)c1O ZINC000655347282 566795316 /nfs/dbraw/zinc/79/53/16/566795316.db2.gz NMVVGLWZRHTCSJ-UHFFFAOYSA-N 0 2 389.670 3.346 10 0 GGAELN COc1ccc(S(=O)(=O)Nc2cc([C@@H]3CCCO3)[nH]n2)c(Cl)c1Cl ZINC000581660165 566796680 /nfs/dbraw/zinc/79/66/80/566796680.db2.gz LKBTUHXVXISPNR-VIFPVBQESA-N 0 2 392.264 3.377 10 0 GGAELN CCOC(=O)c1ncc(NS(=O)(=O)c2ccc3nc(C)sc3c2)s1 ZINC000427781361 566797691 /nfs/dbraw/zinc/79/76/91/566797691.db2.gz SDJANHMEOGZHFP-UHFFFAOYSA-N 0 2 383.476 3.039 10 0 GGAELN COc1c(C)cc(C)cc1S(=O)(=O)Nc1ncc(C2CCOCC2)s1 ZINC000517011089 566799204 /nfs/dbraw/zinc/79/92/04/566799204.db2.gz ADCNMQUFUFGGBA-UHFFFAOYSA-N 0 2 382.507 3.463 10 0 GGAELN C[C@@H](c1ccccc1Br)N(C)C(=O)N=c1ncn(C(C)(C)C)[nH]1 ZINC000542437193 566800355 /nfs/dbraw/zinc/80/03/55/566800355.db2.gz PQSXWBMGBFDSDH-NSHDSACASA-N 0 2 380.290 3.442 10 0 GGAELN COC(=O)c1ccncc1NS(=O)(=O)c1c(C)cc(Br)cc1C ZINC000610034517 566800479 /nfs/dbraw/zinc/80/04/79/566800479.db2.gz NTSYSXPSTPCHRU-UHFFFAOYSA-N 0 2 399.266 3.048 10 0 GGAELN CC(C)(C)n1cnc(=NC(=O)NCC2(c3cccc(Br)c3)CC2)[nH]1 ZINC000542439584 566800809 /nfs/dbraw/zinc/80/08/09/566800809.db2.gz MSDSEYIVDVFRQV-UHFFFAOYSA-N 0 2 392.301 3.071 10 0 GGAELN CCc1ccc(S(=O)(=O)Nc2cccnc2SCCC(=O)OC)s1 ZINC000542518157 566808888 /nfs/dbraw/zinc/80/88/88/566808888.db2.gz OHBRKWKMVMCNSY-UHFFFAOYSA-N 0 2 386.520 3.162 10 0 GGAELN O=S(=O)(Nc1ccc2ccccc2n1)c1cc2c(cc1Cl)OCCO2 ZINC000517181486 566809928 /nfs/dbraw/zinc/80/99/28/566809928.db2.gz KNWIGBXLEGDPNK-UHFFFAOYSA-N 0 2 376.821 3.460 10 0 GGAELN CN(C)S(=O)(=O)c1ccc(C(=O)N[C@H]2CCCc3sc(Cl)cc32)cc1 ZINC000581875886 566811972 /nfs/dbraw/zinc/81/19/72/566811972.db2.gz OWBNAQKGEZVFPH-AWEZNQCLSA-N 0 2 398.937 3.459 10 0 GGAELN Cc1nc2ccc(S(=O)(=O)Nc3nnc(C4CCOCC4)s3)cc2s1 ZINC000517216916 566812539 /nfs/dbraw/zinc/81/25/39/566812539.db2.gz PAEPPOIPTFCIFY-UHFFFAOYSA-N 0 2 396.519 3.151 10 0 GGAELN O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)C1(C(F)F)CCC1 ZINC000631618295 566812650 /nfs/dbraw/zinc/81/26/50/566812650.db2.gz GWPFJENOOAMVHU-UHFFFAOYSA-N 0 2 387.433 3.318 10 0 GGAELN CCS(=O)(=O)c1ccccc1NS(=O)(=O)c1cc(C)c(F)cc1Cl ZINC000678720677 566813976 /nfs/dbraw/zinc/81/39/76/566813976.db2.gz XITAPKIMTIMGON-UHFFFAOYSA-N 0 2 391.873 3.382 10 0 GGAELN CNC(=O)c1cc(Cl)c(C)c(S(=O)(=O)Nc2cc(C3CC3)ccn2)c1 ZINC000562740772 566818933 /nfs/dbraw/zinc/81/89/33/566818933.db2.gz RMKPQOMPKYYELX-UHFFFAOYSA-N 0 2 379.869 3.081 10 0 GGAELN CC(C)CCOc1ccc(NS(=O)(=O)c2c(Cl)cnn2C)cc1F ZINC000655599542 566819525 /nfs/dbraw/zinc/81/95/25/566819525.db2.gz VUGJBLLCSDYTBB-UHFFFAOYSA-N 0 2 375.853 3.438 10 0 GGAELN O=C(N=c1ncn(C2CCCCC2)[nH]1)NCCc1ccc(Br)cc1 ZINC000542721148 566820456 /nfs/dbraw/zinc/82/04/56/566820456.db2.gz CBHOZYMYKSBREK-UHFFFAOYSA-N 0 2 392.301 3.332 10 0 GGAELN C[C@@H]1CCCc2nc(S(=O)(=O)Nc3nsc(-c4ccccc4)n3)cn21 ZINC000562780488 566822384 /nfs/dbraw/zinc/82/23/84/566822384.db2.gz URNXXLGJKXGDJH-LLVKDONJSA-N 0 2 375.479 3.100 10 0 GGAELN Cc1cc(C)c(C(=O)N2CCCC[C@H]2c2n[nH]c(=O)[nH]2)cc1Br ZINC000562829826 566825571 /nfs/dbraw/zinc/82/55/71/566825571.db2.gz DGROUQXIWNAYML-ZDUSSCGKSA-N 0 2 379.258 3.257 10 0 GGAELN COc1cc(F)c(S(=O)(=O)N[C@@H](c2ccc(C)o2)C(F)(F)F)c(F)c1 ZINC000655660480 566828419 /nfs/dbraw/zinc/82/84/19/566828419.db2.gz DNXBSMXMFJLISQ-ZDUSSCGKSA-N 0 2 385.310 3.457 10 0 GGAELN COc1cc(F)c(S(=O)(=O)N[C@H](c2ccc(C)o2)C(F)(F)F)c(F)c1 ZINC000655660479 566828728 /nfs/dbraw/zinc/82/87/28/566828728.db2.gz DNXBSMXMFJLISQ-CYBMUJFWSA-N 0 2 385.310 3.457 10 0 GGAELN CO[C@@H]1C[C@H](N(C)C(=O)N=c2nc(-c3sccc3C)[nH]s2)C12CCC2 ZINC000517515147 566829226 /nfs/dbraw/zinc/82/92/26/566829226.db2.gz WYTWRJVCGXUMLL-NWDGAFQWSA-N 0 2 378.523 3.418 10 0 GGAELN Cc1cc(S(=O)(=O)N[C@@H](C[C@H]2CCCO2)C(F)(F)F)sc1Cl ZINC000655661636 566830511 /nfs/dbraw/zinc/83/05/11/566830511.db2.gz HAUVRFJBBQVLCS-BDAKNGLRSA-N 0 2 377.837 3.488 10 0 GGAELN O=S(=O)(N[C@@H](C[C@H]1CCCO1)C(F)(F)F)c1ccc(Cl)cc1F ZINC000655663628 566832055 /nfs/dbraw/zinc/83/20/55/566832055.db2.gz ILFDVOXWZGUQCV-SKDRFNHKSA-N 0 2 375.771 3.257 10 0 GGAELN O=C(N=c1nc(-c2ccsc2)[nH]s1)c1n[nH]c(C2CC2)c1Br ZINC000517621763 566835717 /nfs/dbraw/zinc/83/57/17/566835717.db2.gz WQTAINWNPLIRPV-UHFFFAOYSA-N 0 2 396.295 3.304 10 0 GGAELN CC(=O)Nc1cc(F)c(S(=O)(=O)NCCCC(C)(F)F)c(F)c1Cl ZINC000451612180 566850530 /nfs/dbraw/zinc/85/05/30/566850530.db2.gz ZWORONXXDNVKBB-UHFFFAOYSA-N 0 2 390.786 3.290 10 0 GGAELN Clc1cccc(-n2cc[nH+]c2)c1CN=c1[n-]nc(C2CCOCC2)s1 ZINC000518084467 566864773 /nfs/dbraw/zinc/86/47/73/566864773.db2.gz AWPDQOPMRWIQFA-UHFFFAOYSA-N 0 2 375.885 3.305 10 0 GGAELN COC(=O)c1ccc(S(=O)(=O)Nc2cccc(OCCF)c2)c(Cl)c1 ZINC000470440621 566872388 /nfs/dbraw/zinc/87/23/88/566872388.db2.gz KIOMRYDLXIQWAC-UHFFFAOYSA-N 0 2 387.816 3.276 10 0 GGAELN Cc1c(C[S@@](C)=O)cccc1NS(=O)(=O)c1cccnc1C(F)(F)F ZINC000518247227 566873376 /nfs/dbraw/zinc/87/33/76/566873376.db2.gz PVRAFAOQTKMTCG-XMMPIXPASA-N 0 2 392.424 3.088 10 0 GGAELN CCN(Cc1cccc(Br)c1)C(=O)N=c1ncn(C(C)(C)C)[nH]1 ZINC000543365475 566873988 /nfs/dbraw/zinc/87/39/88/566873988.db2.gz BUFPKYNSECGAPW-UHFFFAOYSA-N 0 2 380.290 3.272 10 0 GGAELN CC(C)[C@H](NS(=O)(=O)c1cccc(Br)c1F)C(F)(F)F ZINC000543414333 566878918 /nfs/dbraw/zinc/87/89/18/566878918.db2.gz ABUJIFXYQCPGPO-JTQLQIEISA-N 0 2 378.185 3.453 10 0 GGAELN COc1cc(Br)ccc1[C@@H](C)NC(=O)N=c1ncn(C(C)(C)C)[nH]1 ZINC000470516509 566879317 /nfs/dbraw/zinc/87/93/17/566879317.db2.gz AKOWFDWWRZVXCQ-SNVBAGLBSA-N 0 2 396.289 3.109 10 0 GGAELN O=S(=O)(Cc1ncsc1Br)N[C@@H](c1ccccc1)C(F)F ZINC000632364513 566879691 /nfs/dbraw/zinc/87/96/91/566879691.db2.gz VVILHOQRLNJJCA-JTQLQIEISA-N 0 2 397.266 3.331 10 0 GGAELN O=S(=O)(NCCc1cccc(C(F)(F)F)n1)c1onc(C2CC2)c1Cl ZINC000632364092 566879925 /nfs/dbraw/zinc/87/99/25/566879925.db2.gz HYAIVNKLKPSBKN-UHFFFAOYSA-N 0 2 395.790 3.140 10 0 GGAELN CO[C@@H](CCNC(=O)N=c1nc(-c2sccc2C)[nH]s1)C(F)(F)F ZINC000470528231 566880785 /nfs/dbraw/zinc/88/07/85/566880785.db2.gz JNWIHFBBLDVYNW-QMMMGPOBSA-N 0 2 380.417 3.086 10 0 GGAELN Cc1c(Br)cccc1CS(=O)(=O)Nc1nnc(C2CC2)s1 ZINC000656182559 566880986 /nfs/dbraw/zinc/88/09/86/566880986.db2.gz OWWNLOHSUFXLMA-UHFFFAOYSA-N 0 2 388.312 3.428 10 0 GGAELN CC(=O)Nc1nc(C)c(S(=O)(=O)Nc2ccc(C(C)=O)c(Cl)c2)s1 ZINC000679925148 566882585 /nfs/dbraw/zinc/88/25/85/566882585.db2.gz BMPHFMAWXXJLTN-UHFFFAOYSA-N 0 2 387.870 3.067 10 0 GGAELN CC(C)[C@@H]1N(C(=O)N=c2nc(-c3ccsc3)[nH]s2)CC12CCOCC2 ZINC000518496564 566887619 /nfs/dbraw/zinc/88/76/19/566887619.db2.gz RIKCEZKVHCFWPI-ZDUSSCGKSA-N 0 2 378.523 3.357 10 0 GGAELN CC(C)[C@H]1N(C(=O)N=c2nc(-c3ccsc3)[nH]s2)CC12CCOCC2 ZINC000518496563 566888521 /nfs/dbraw/zinc/88/85/21/566888521.db2.gz RIKCEZKVHCFWPI-CYBMUJFWSA-N 0 2 378.523 3.357 10 0 GGAELN COCCc1ccc(S(=O)(=O)Nc2nc3cc(Cl)ccc3n2C)cc1 ZINC000518587742 566894045 /nfs/dbraw/zinc/89/40/45/566894045.db2.gz BARHPRMRWOKPRU-UHFFFAOYSA-N 0 2 379.869 3.216 10 0 GGAELN O=C(CNS(=O)(=O)c1onc(C2CC2)c1Cl)c1ccc(Cl)cc1F ZINC000632596496 566896248 /nfs/dbraw/zinc/89/62/48/566896248.db2.gz SJFBYBZQYKOMHJ-UHFFFAOYSA-N 0 2 393.223 3.159 10 0 GGAELN CC(C)(C)n1cnc(=NC(=O)N[C@@H]2CSc3ccc(Br)cc32)[nH]1 ZINC000563583690 566898450 /nfs/dbraw/zinc/89/84/50/566898450.db2.gz QZCGCAGVKJAVGG-LLVKDONJSA-N 0 2 396.314 3.186 10 0 GGAELN CC(=O)Nc1cc(F)c(S(=O)(=O)NC(C)(C)C2CCC2)c(F)c1Cl ZINC000451869784 566899298 /nfs/dbraw/zinc/89/92/98/566899298.db2.gz OIZSCOSZGCKUCY-UHFFFAOYSA-N 0 2 380.844 3.434 10 0 GGAELN COC(=O)C12CCC(C(=O)N=c3nc(-c4sccc4C)[nH]s3)(CC1)C2 ZINC000429092263 566908059 /nfs/dbraw/zinc/90/80/59/566908059.db2.gz UPZABQZZMVBUSI-UHFFFAOYSA-N 0 2 377.491 3.059 10 0 GGAELN Cc1cc(S(=O)(=O)Nc2cc(I)ccc2O)c(C)o1 ZINC000611443678 566917919 /nfs/dbraw/zinc/91/79/19/566917919.db2.gz NODJUTVUTRABCN-UHFFFAOYSA-N 0 2 393.202 3.007 10 0 GGAELN O=C(c1cc(Cl)cc(Br)c1O)N1CCO[C@@]2(CCSC2)C1 ZINC000583086097 566920157 /nfs/dbraw/zinc/92/01/57/566920157.db2.gz AJSMVYKJKHXMDD-AWEZNQCLSA-N 0 2 392.702 3.156 10 0 GGAELN CCc1cc(NS(=O)(=O)c2cc3c(s2)CCN(C(C)=O)C3)ccc1C ZINC000656627366 566926722 /nfs/dbraw/zinc/92/67/22/566926722.db2.gz ZIUWOYUALXVBHI-UHFFFAOYSA-N 0 2 378.519 3.324 10 0 GGAELN Cc1cc(Br)c(Cl)cc1NS(=O)(=O)c1cnc2n1CCC2 ZINC000656633923 566928417 /nfs/dbraw/zinc/92/84/17/566928417.db2.gz KEYYFEIWBMVIPT-UHFFFAOYSA-N 0 2 390.690 3.354 10 0 GGAELN CCOC(=O)c1ccc(NS(=O)(=O)c2cc(C)c(F)cc2Cl)c(O)c1 ZINC000471109112 566928977 /nfs/dbraw/zinc/92/89/77/566928977.db2.gz BKBZZDQKNAETCU-UHFFFAOYSA-N 0 2 387.816 3.471 10 0 GGAELN COCc1ccc(NS(=O)(=O)c2c(Cl)cnn2C)cc1C(F)(F)F ZINC000656634580 566929772 /nfs/dbraw/zinc/92/97/72/566929772.db2.gz FJQVOGGOUILBJS-UHFFFAOYSA-N 0 2 383.779 3.040 10 0 GGAELN COC(=O)c1cc(OC)ccc1NS(=O)(=O)c1cc(C)c(F)cc1Cl ZINC000471142844 566932167 /nfs/dbraw/zinc/93/21/67/566932167.db2.gz QPUMSYXDAGRBKZ-UHFFFAOYSA-N 0 2 387.816 3.384 10 0 GGAELN COC(=O)c1ccc(Cl)cc1NS(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000611732571 566936103 /nfs/dbraw/zinc/93/61/03/566936103.db2.gz FTHVZCRKFNMDGB-UHFFFAOYSA-N 0 2 394.758 3.341 10 0 GGAELN O=S(=O)(Nc1nnc(C2CC2)o1)c1cc(Cl)cc(Br)c1 ZINC000656732657 566941188 /nfs/dbraw/zinc/94/11/88/566941188.db2.gz YXLSQRUSGPWTJQ-UHFFFAOYSA-N 0 2 378.635 3.164 10 0 GGAELN CO[C@H](CS(=O)(=O)N[C@@H](c1cc(F)ccc1F)C(F)F)C1CCCC1 ZINC000656732954 566941517 /nfs/dbraw/zinc/94/15/17/566941517.db2.gz CMGLOLACGYLWMQ-CABCVRRESA-N 0 2 383.407 3.396 10 0 GGAELN CN(C)c1cccc(S(=O)(=O)Nc2nnc(/C=C/c3ccco3)s2)c1 ZINC000492956226 566942081 /nfs/dbraw/zinc/94/20/81/566942081.db2.gz FDMSXANUHMYCBG-CMDGGOBGSA-N 0 2 376.463 3.168 10 0 GGAELN COc1cc(F)c(S(=O)(=O)Nc2nnc(CCC(C)C)s2)c(F)c1 ZINC000656737034 566943218 /nfs/dbraw/zinc/94/32/18/566943218.db2.gz ZMHBBSHHZLCTRZ-UHFFFAOYSA-N 0 2 377.438 3.214 10 0 GGAELN CCc1nc(NS(=O)(=O)c2cc(C)cc(C(N)=O)c2)sc1C(C)(C)C ZINC000656735682 566943233 /nfs/dbraw/zinc/94/32/33/566943233.db2.gz QSPMCKVCECRAFT-UHFFFAOYSA-N 0 2 381.523 3.211 10 0 GGAELN COCc1ccc(OC)c(S(=O)(=O)Nc2nnc(CCC(C)C)s2)c1 ZINC000656736609 566943320 /nfs/dbraw/zinc/94/33/20/566943320.db2.gz JNQNNPBEBHYTRW-UHFFFAOYSA-N 0 2 385.511 3.083 10 0 GGAELN Cn1cc(Br)c2ccc(S(=O)(=O)Nc3c[nH]nc3C3CC3)cc21 ZINC000656739593 566944630 /nfs/dbraw/zinc/94/46/30/566944630.db2.gz XBMBQTCORVMJDE-UHFFFAOYSA-N 0 2 395.282 3.342 10 0 GGAELN CCOC(=O)c1c(C)c(C)sc1NS(=O)(=O)c1cccc(N(C)C)c1 ZINC000493180000 566945612 /nfs/dbraw/zinc/94/56/12/566945612.db2.gz JCJZNUJCIWHHFP-UHFFFAOYSA-N 0 2 382.507 3.408 10 0 GGAELN CCCCCc1nnc(NS(=O)(=O)c2cccnc2C(F)(F)F)s1 ZINC000564131525 566948202 /nfs/dbraw/zinc/94/82/02/566948202.db2.gz OKYSLLBMRHNCSQ-UHFFFAOYSA-N 0 2 380.417 3.485 10 0 GGAELN CCn1nccc1S(=O)(=O)Nc1ncc(Cc2cc(F)cc(F)c2)s1 ZINC000681129786 566952284 /nfs/dbraw/zinc/95/22/84/566952284.db2.gz SNWTYVWMJKLRFY-UHFFFAOYSA-N 0 2 384.433 3.029 10 0 GGAELN CCN(Cc1cc(Br)ccc1F)C(=O)N=c1ncn(C(C)(C)C)[nH]1 ZINC000544315898 566952465 /nfs/dbraw/zinc/95/24/65/566952465.db2.gz NBXVFHDREQRMDF-UHFFFAOYSA-N 0 2 398.280 3.411 10 0 GGAELN O=C(Nc1nc(-c2ccc(Br)cc2F)n[nH]1)[C@@H]1CCCOCC1 ZINC000564219550 566955549 /nfs/dbraw/zinc/95/55/49/566955549.db2.gz NWNIRONLBBUTDB-SECBINFHSA-N 0 2 383.221 3.129 10 0 GGAELN COC(=O)CCSc1ncccc1NS(=O)(=O)c1cc(C)sc1C ZINC000544405107 566961240 /nfs/dbraw/zinc/96/12/40/566961240.db2.gz VDOREEFUUIDDQQ-UHFFFAOYSA-N 0 2 386.520 3.216 10 0 GGAELN COC(=O)c1ccc(S(=O)(=O)Nc2cccc3ccn(C)c32)c(Cl)c1 ZINC000471576135 566961230 /nfs/dbraw/zinc/96/12/30/566961230.db2.gz AFJRVSRLTLATQR-UHFFFAOYSA-N 0 2 378.837 3.419 10 0 GGAELN CCc1ncc(NS(=O)(=O)c2cccc(Br)c2Cl)cn1 ZINC000564355729 566967645 /nfs/dbraw/zinc/96/76/45/566967645.db2.gz IJOPOVMYHBGTOS-UHFFFAOYSA-N 0 2 376.663 3.256 10 0 GGAELN CC(C)(C)OCCNC(=O)c1cccc(NS(=O)(=O)c2cccs2)c1 ZINC000519919900 566978973 /nfs/dbraw/zinc/97/89/73/566978973.db2.gz NCHZCLQDGBBXOW-UHFFFAOYSA-N 0 2 382.507 3.094 10 0 GGAELN Cc1ccsc1-c1nsc(NS(=O)(=O)c2ccc3ncccc3c2)n1 ZINC000471916438 566985353 /nfs/dbraw/zinc/98/53/53/566985353.db2.gz WUOHTTGAIXLLKW-UHFFFAOYSA-N 0 2 388.499 3.346 10 0 GGAELN CCOC(=O)c1cc2cc(NS(=O)(=O)c3ccnn3CC)ccc2s1 ZINC000471909838 566985661 /nfs/dbraw/zinc/98/56/61/566985661.db2.gz WXSVJPSICVVTAF-UHFFFAOYSA-N 0 2 379.463 3.095 10 0 GGAELN O=C(c1cc(Br)c(F)cc1O)N1CC2(CCOCC2)[C@H]1C1CC1 ZINC000452507864 566989399 /nfs/dbraw/zinc/98/93/99/566989399.db2.gz FIIBTPCAZZKSNN-OAHLLOKOSA-N 0 2 384.245 3.325 10 0 GGAELN O=S(=O)(Nc1cncc(F)c1)c1cc(Br)cc2cccnc21 ZINC000520280067 566993643 /nfs/dbraw/zinc/99/36/43/566993643.db2.gz JYPDTXXNUNNUGH-UHFFFAOYSA-N 0 2 382.214 3.332 10 0 GGAELN COC(=O)[C@H](NS(=O)(=O)c1cc(C)c(F)cc1Cl)c1cccs1 ZINC000472124623 567003148 /nfs/dbraw/zinc/00/31/48/567003148.db2.gz RMHLABDKCHDDDI-CYBMUJFWSA-N 0 2 377.846 3.042 10 0 GGAELN COc1ccc(C(=O)C(=O)N=c2nc(-c3sccc3C)[nH]s2)cc1Cl ZINC000472259953 567012851 /nfs/dbraw/zinc/01/28/51/567012851.db2.gz HGSFKKUDFMLNFC-UHFFFAOYSA-N 0 2 393.877 3.480 10 0 GGAELN O=C(N[C@@]12C[C@@H]1CCCC2)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000634085170 567016616 /nfs/dbraw/zinc/01/66/16/567016616.db2.gz INSZSZOVNGUDSK-GUYCJALGSA-N 0 2 377.491 3.006 10 0 GGAELN O=C(NCC1(CF)CCOCC1)c1cc(Cl)cc(Br)c1O ZINC000452808387 567019270 /nfs/dbraw/zinc/01/92/70/567019270.db2.gz PEBKKDDLJXDSKS-UHFFFAOYSA-N 0 2 380.641 3.304 10 0 GGAELN COC(C)(C)c1nc(=NC(=O)c2ccc(Br)c(F)c2F)s[nH]1 ZINC000634149450 567019700 /nfs/dbraw/zinc/01/97/00/567019700.db2.gz KJRMYXKKIDIOHQ-UHFFFAOYSA-N 0 2 392.225 3.135 10 0 GGAELN O=C(NCc1cc2cccnc2cc1Br)c1cccc2[nH]nnc21 ZINC000682164624 567034254 /nfs/dbraw/zinc/03/42/54/567034254.db2.gz URLBEOMLRCHLOK-UHFFFAOYSA-N 0 2 382.221 3.199 10 0 GGAELN CC(C)CCc1ccc(NS(=O)(=O)c2ccccc2S(C)(=O)=O)cc1 ZINC000521111556 567041982 /nfs/dbraw/zinc/04/19/82/567041982.db2.gz XELNWXCNRFPZBW-UHFFFAOYSA-N 0 2 381.519 3.480 10 0 GGAELN Cc1nc(NS(=O)(=O)c2c(C(F)(F)F)cnn2C)sc1C(F)(F)F ZINC000634657942 567046164 /nfs/dbraw/zinc/04/61/64/567046164.db2.gz JHTAWRGJVVHXBP-UHFFFAOYSA-N 0 2 394.322 3.023 10 0 GGAELN Cc1csc(S(=O)(=O)Nc2nnc(C(F)(F)C(F)(F)F)s2)c1 ZINC000634659405 567046342 /nfs/dbraw/zinc/04/63/42/567046342.db2.gz PZFQBJACNOUZCH-UHFFFAOYSA-N 0 2 379.357 3.363 10 0 GGAELN Cc1ccc(F)c(S(=O)(=O)Nc2nnc(C(F)(F)C(F)(F)F)s2)c1 ZINC000634659330 567046972 /nfs/dbraw/zinc/04/69/72/567046972.db2.gz MBMJAZDILPIHSF-UHFFFAOYSA-N 0 2 391.318 3.441 10 0 GGAELN Cc1ccc(S(=O)(=O)Nc2nnc(C(F)(F)C(F)(F)F)s2)cc1F ZINC000634659283 567047088 /nfs/dbraw/zinc/04/70/88/567047088.db2.gz HRSZIYUAFXJBMW-UHFFFAOYSA-N 0 2 391.318 3.441 10 0 GGAELN Cc1ccc(S(=O)(=O)Nc2nnc(C(F)(F)C(F)(F)F)s2)c(F)c1 ZINC000634659438 567047107 /nfs/dbraw/zinc/04/71/07/567047107.db2.gz RZXHKOVNLSGCTQ-UHFFFAOYSA-N 0 2 391.318 3.441 10 0 GGAELN C[C@H]1C[C@H]1c1nnc(NS(=O)(=O)c2c(Cl)cccc2Br)o1 ZINC000634662231 567047863 /nfs/dbraw/zinc/04/78/63/567047863.db2.gz KCPNYQPVOPLUJU-NKWVEPMBSA-N 0 2 392.662 3.410 10 0 GGAELN C[C@H]1C[C@@H]1c1nnc(NS(=O)(=O)c2c(Cl)cccc2Br)o1 ZINC000634662230 567047951 /nfs/dbraw/zinc/04/79/51/567047951.db2.gz KCPNYQPVOPLUJU-BQBZGAKWSA-N 0 2 392.662 3.410 10 0 GGAELN Fc1cccc(F)c1C[N@@H+]1CCC[C@H](N=c2[n-]c(C(F)(F)F)ns2)C1 ZINC000584546795 567052235 /nfs/dbraw/zinc/05/22/35/567052235.db2.gz RJXUWNYXASYQCV-VIFPVBQESA-N 0 2 378.370 3.334 10 0 GGAELN Fc1cccc(F)c1C[N@H+]1CCC[C@H](N=c2[n-]c(C(F)(F)F)ns2)C1 ZINC000584546795 567052244 /nfs/dbraw/zinc/05/22/44/567052244.db2.gz RJXUWNYXASYQCV-VIFPVBQESA-N 0 2 378.370 3.334 10 0 GGAELN COC(=O)c1ccc(C(=O)N=c2nc(-c3sccc3C)[nH]s2)cc1F ZINC000613676709 567054981 /nfs/dbraw/zinc/05/49/81/567054981.db2.gz FTCMBYODPOBPRO-UHFFFAOYSA-N 0 2 377.422 3.175 10 0 GGAELN COc1cc(NS(=O)(=O)c2cccnc2C(F)(F)F)cc(OC)c1C ZINC000431177614 567063510 /nfs/dbraw/zinc/06/35/10/567063510.db2.gz HXOIGJQRCSPVRM-UHFFFAOYSA-N 0 2 376.356 3.227 10 0 GGAELN COCc1ccccc1CS(=O)(=O)Nc1nc2ccc(OC)cc2s1 ZINC000584743486 567067148 /nfs/dbraw/zinc/06/71/48/567067148.db2.gz LYMSUSLNROJSEJ-UHFFFAOYSA-N 0 2 378.475 3.393 10 0 GGAELN COCc1csc(NS(=O)(=O)Cc2ccc(OC(F)(F)F)cc2)n1 ZINC000682807031 567073806 /nfs/dbraw/zinc/07/38/06/567073806.db2.gz LVSDONVPFZEZPD-UHFFFAOYSA-N 0 2 382.385 3.130 10 0 GGAELN Cc1nc2ccc(S(=O)(=O)Nc3cc(C4CCOCC4)n[nH]3)cc2s1 ZINC000565575202 567079000 /nfs/dbraw/zinc/07/90/00/567079000.db2.gz KRJVUCBEXYGLLC-UHFFFAOYSA-N 0 2 378.479 3.023 10 0 GGAELN Cc1nc2ccc(S(=O)(=O)Nc3cc(C4CCOCC4)[nH]n3)cc2s1 ZINC000565575202 567079001 /nfs/dbraw/zinc/07/90/01/567079001.db2.gz KRJVUCBEXYGLLC-UHFFFAOYSA-N 0 2 378.479 3.023 10 0 GGAELN C[C@H]1CCCc2nc(S(=O)(=O)Nc3ncc(-c4cccnc4)s3)cn21 ZINC000565587703 567080678 /nfs/dbraw/zinc/08/06/78/567080678.db2.gz NINLCLDINLVCTB-NSHDSACASA-N 0 2 375.479 3.100 10 0 GGAELN COc1cc(C(=O)N(C)Cc2nc(=O)c3sccc3[nH]2)cc(Cl)c1O ZINC000545886329 567085330 /nfs/dbraw/zinc/08/53/30/567085330.db2.gz HMHPUROFISRHOT-UHFFFAOYSA-N 0 2 379.825 3.037 10 0 GGAELN O=C(c1c(O)cc(F)cc1F)N(CCO)Cc1ccc(Br)s1 ZINC000682993476 567089336 /nfs/dbraw/zinc/08/93/36/567089336.db2.gz WTXWTLBKYCRAOS-UHFFFAOYSA-N 0 2 392.221 3.129 10 0 GGAELN CCC1(CC)CN(C(=O)N=c2nc(-c3sccc3C)[nH]s2)CC[S@@]1=O ZINC000546038300 567097587 /nfs/dbraw/zinc/09/75/87/567097587.db2.gz IHUSDEMEOZROLZ-VWLOTQADSA-N 0 2 398.579 3.152 10 0 GGAELN CCC1(CC)CN(C(=O)N=c2nc(-c3sccc3C)[nH]s2)CC[S@]1=O ZINC000546038301 567099084 /nfs/dbraw/zinc/09/90/84/567099084.db2.gz IHUSDEMEOZROLZ-RUZDIDTESA-N 0 2 398.579 3.152 10 0 GGAELN COC(=O)c1cc(F)c(C)c(S(=O)(=O)Nc2ncc(C(F)(F)F)s2)c1 ZINC000473756919 567101103 /nfs/dbraw/zinc/10/11/03/567101103.db2.gz OXZDUGLGZINSBA-UHFFFAOYSA-N 0 2 398.359 3.197 10 0 GGAELN O=C(N=c1nc(-c2cccc(Cl)c2)[nH]s1)N[C@@H](CO)c1ccsc1 ZINC000473770733 567101158 /nfs/dbraw/zinc/10/11/58/567101158.db2.gz VQOVBLLIBMFSON-LBPRGKRZSA-N 0 2 380.882 3.197 10 0 GGAELN CCOC(=O)c1cc(F)cc(S(=O)(=O)Nc2ncc(C(F)(F)F)s2)c1 ZINC000473756014 567101218 /nfs/dbraw/zinc/10/12/18/567101218.db2.gz JLXPEZXVQZKVQO-UHFFFAOYSA-N 0 2 398.359 3.279 10 0 GGAELN CCOCCOc1ccc(S(=O)(=O)Nc2ncc(C(F)(F)F)s2)cc1 ZINC000473756339 567101942 /nfs/dbraw/zinc/10/19/42/567101942.db2.gz AGLRTNRAYGPSRR-UHFFFAOYSA-N 0 2 396.412 3.378 10 0 GGAELN CCOC(=O)c1ccc(C)c(S(=O)(=O)Nc2ncc(C(F)(F)F)s2)c1 ZINC000473758584 567102028 /nfs/dbraw/zinc/10/20/28/567102028.db2.gz PWLPPPYDMGWYPQ-UHFFFAOYSA-N 0 2 394.396 3.448 10 0 GGAELN CCC(CC)(CNC(=O)N=c1nc(-c2sccc2C)[nH]s1)C(=O)OC ZINC000473828243 567105165 /nfs/dbraw/zinc/10/51/65/567105165.db2.gz XEGQFWWAGDSZTR-UHFFFAOYSA-N 0 2 382.511 3.098 10 0 GGAELN COCC[C@H](NC(=O)N=c1nc(-c2sccc2C)[nH]s1)c1ccco1 ZINC000473832478 567106588 /nfs/dbraw/zinc/10/65/88/567106588.db2.gz VLYQRZRKUSGIGT-NSHDSACASA-N 0 2 378.479 3.489 10 0 GGAELN Cc1nc(NS(=O)(=O)c2ccc3c(c2)N(C)CC3)sc1C(F)(F)F ZINC000565886667 567108255 /nfs/dbraw/zinc/10/82/55/567108255.db2.gz WYGQAZIQTNQJMS-UHFFFAOYSA-N 0 2 377.413 3.263 10 0 GGAELN Cc1ccc(NS(=O)(=O)c2cc3c(cc2Cl)OCCO3)c2n[nH]cc21 ZINC000588625622 567130592 /nfs/dbraw/zinc/13/05/92/567130592.db2.gz PBCUKRHMGFMZDS-UHFFFAOYSA-N 0 2 379.825 3.097 10 0 GGAELN CO[C@@H](C)c1cccc(NS(=O)(=O)c2ccc([C@H](C)NC(C)=O)s2)c1 ZINC000588833054 567139862 /nfs/dbraw/zinc/13/98/62/567139862.db2.gz FPMLPAIITHUNGI-RYUDHWBXSA-N 0 2 382.507 3.453 10 0 GGAELN COC(=O)c1cc(NS(=O)(=O)c2cccnc2C(F)(F)F)ccc1Cl ZINC000588840795 567141066 /nfs/dbraw/zinc/14/10/66/567141066.db2.gz JVWKUTCKGIYJPT-UHFFFAOYSA-N 0 2 394.758 3.341 10 0 GGAELN COC(=O)c1csc(NS(=O)(=O)c2cccnc2C(F)(F)F)c1C ZINC000588848672 567141395 /nfs/dbraw/zinc/14/13/95/567141395.db2.gz AMLOMQVZHKFHGU-UHFFFAOYSA-N 0 2 380.369 3.058 10 0 GGAELN O=S(=O)(Nc1nc2c(s1)CSCC2)c1cnccc1C(F)(F)F ZINC000566324895 567148083 /nfs/dbraw/zinc/14/80/83/567148083.db2.gz ANZVCGXPPNTIAM-UHFFFAOYSA-N 0 2 381.426 3.147 10 0 GGAELN COc1cc(C)cc(NS(=O)(=O)c2ccc([C@@H](C)NC(C)=O)s2)c1C ZINC000683731303 567149238 /nfs/dbraw/zinc/14/92/38/567149238.db2.gz GDBCIKZGXJGEIL-GFCCVEGCSA-N 0 2 382.507 3.371 10 0 GGAELN CCn1nccc1S(=O)(=O)Nc1nc(C)c(Cc2ccc(F)cc2)s1 ZINC000546727268 567150726 /nfs/dbraw/zinc/15/07/26/567150726.db2.gz SQCDRZBZAWXBJV-UHFFFAOYSA-N 0 2 380.470 3.199 10 0 GGAELN COc1cc(C)c(S(=O)(=O)Nc2nc(-c3sccc3C)ns2)c(C)c1 ZINC000546726834 567151622 /nfs/dbraw/zinc/15/16/22/567151622.db2.gz DMIGPHRIEZCDNG-UHFFFAOYSA-N 0 2 395.531 3.423 10 0 GGAELN Cc1ccsc1-c1nc(=NC(=O)NC[C@]2(C)CCO[C@@H]2C2CC2)s[nH]1 ZINC000546743143 567152571 /nfs/dbraw/zinc/15/25/71/567152571.db2.gz PLYDWTLUQGFEQF-DYVFJYSZSA-N 0 2 378.523 3.324 10 0 GGAELN Cc1ccsc1-c1nc(=NC(=O)N[C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)s[nH]1 ZINC000546742857 567153190 /nfs/dbraw/zinc/15/31/90/567153190.db2.gz FNWZHIVSGCLRHT-UHTWSYAYSA-N 0 2 378.523 3.322 10 0 GGAELN Cc1ccsc1-c1nc(=NC(=O)NCc2nnc(C(C)(C)C)s2)s[nH]1 ZINC000546744414 567153248 /nfs/dbraw/zinc/15/32/48/567153248.db2.gz XMXIVDOXYNKSKJ-UHFFFAOYSA-N 0 2 394.551 3.468 10 0 GGAELN Cc1ccsc1-c1nc(=NC(=O)NC[C@@]2(C)CCO[C@@H]2C2CC2)s[nH]1 ZINC000546743142 567153378 /nfs/dbraw/zinc/15/33/78/567153378.db2.gz PLYDWTLUQGFEQF-CXAGYDPISA-N 0 2 378.523 3.324 10 0 GGAELN CC(C)Oc1cc(NS(=O)(=O)c2cc(F)ccc2Cl)ccc1C(N)=O ZINC000432468966 567161687 /nfs/dbraw/zinc/16/16/87/567161687.db2.gz MNRHQXBOVCTUCQ-UHFFFAOYSA-N 0 2 386.832 3.166 10 0 GGAELN O=C(CCc1ccccn1)Nc1nc(-c2ccc(Br)cc2F)n[nH]1 ZINC000432506601 567165832 /nfs/dbraw/zinc/16/58/32/567165832.db2.gz NYIYZRMKWDDCMX-UHFFFAOYSA-N 0 2 390.216 3.340 10 0 GGAELN COc1ccc(Br)cc1S(=O)(=O)Nc1cc(CC(C)C)n[nH]1 ZINC000474420986 567169894 /nfs/dbraw/zinc/16/98/94/567169894.db2.gz IXIVIWVJVQTCHT-UHFFFAOYSA-N 0 2 388.287 3.180 10 0 GGAELN CCCn1nccc1NS(=O)(=O)c1cc(Br)ccc1OCC ZINC000589268885 567171636 /nfs/dbraw/zinc/17/16/36/567171636.db2.gz BICAPKQLKUMJSP-UHFFFAOYSA-N 0 2 388.287 3.255 10 0 GGAELN CN(C)c1ccc(S(=O)(=O)Nc2ccn(-c3ccccc3Cl)n2)cc1 ZINC000432765974 567187023 /nfs/dbraw/zinc/18/70/23/567187023.db2.gz ALJLTIZCPPBFNC-UHFFFAOYSA-N 0 2 376.869 3.393 10 0 GGAELN CS(=O)(=O)Nc1nc(-c2ccc(OC(F)F)cc2OC(F)F)cs1 ZINC000547496625 567213772 /nfs/dbraw/zinc/21/37/72/567213772.db2.gz HLBHTNSQAAGUFN-UHFFFAOYSA-N 0 2 386.348 3.384 10 0 GGAELN Cc1sc(Br)cc1S(=O)(=O)Nc1cc([C@@H]2CCCO2)[nH]n1 ZINC000684608774 567220412 /nfs/dbraw/zinc/22/04/12/567220412.db2.gz KJBJOAVHJYASMZ-VIFPVBQESA-N 0 2 392.300 3.194 10 0 GGAELN CCCn1nccc1NS(=O)(=O)c1cc(Br)c(F)cc1OC ZINC000567249421 567229729 /nfs/dbraw/zinc/22/97/29/567229729.db2.gz DEVMGCFLYLXWJL-UHFFFAOYSA-N 0 2 392.250 3.004 10 0 GGAELN CCCN(CCC)S(=O)(=O)Nc1cc(Cl)ccc1C(=O)N1CCCC1 ZINC000525179977 567232379 /nfs/dbraw/zinc/23/23/79/567232379.db2.gz ABFWKHISSLODAB-UHFFFAOYSA-N 0 2 387.933 3.355 10 0 GGAELN COC(=O)c1ccc(S(=O)(=O)Nc2cnn(CC(C)C)c2C)cc1Cl ZINC000499296443 567236894 /nfs/dbraw/zinc/23/68/94/567236894.db2.gz QEGZWGCRBBFMEV-UHFFFAOYSA-N 0 2 385.873 3.088 10 0 GGAELN Cc1n[nH]cc1-c1nnc(NS(=O)(=O)c2ccc(CC(C)C)cc2)s1 ZINC000547716238 567241545 /nfs/dbraw/zinc/24/15/45/567241545.db2.gz OJOVFEDMGAFIEQ-UHFFFAOYSA-N 0 2 377.495 3.236 10 0 GGAELN CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@H](C(C)C)C2CC2)c(F)c1Cl ZINC000660045376 567252575 /nfs/dbraw/zinc/25/25/75/567252575.db2.gz XEMYVOCSANHCSJ-CQSZACIVSA-N 0 2 380.844 3.290 10 0 GGAELN O=S(=O)(Nc1ccc2c(c1)OC(F)(F)O2)c1cccnc1C(F)(F)F ZINC000567509820 567252599 /nfs/dbraw/zinc/25/25/99/567252599.db2.gz KFIBBAAWMDWZHT-UHFFFAOYSA-N 0 2 382.266 3.223 10 0 GGAELN O=C(N[C@@H]1CCO[C@@H](c2ccncc2)C1)c1cc(Br)c(F)cc1O ZINC000567563482 567256254 /nfs/dbraw/zinc/25/62/54/567256254.db2.gz IWJOBRGMDLWXNT-BDJLRTHQSA-N 0 2 395.228 3.339 10 0 GGAELN O=C(N[C@H]1CCO[C@H](c2ccncc2)C1)c1cc(Br)c(F)cc1O ZINC000567563485 567256323 /nfs/dbraw/zinc/25/63/23/567256323.db2.gz IWJOBRGMDLWXNT-ZBEGNZNMSA-N 0 2 395.228 3.339 10 0 GGAELN Cc1nn(C)c(C)c1NS(=O)(=O)c1cc(Br)sc1Cl ZINC000433619745 567263179 /nfs/dbraw/zinc/26/31/79/567263179.db2.gz UYSFRKQVONWNES-UHFFFAOYSA-N 0 2 384.708 3.315 10 0 GGAELN O=C(Cc1ccc(NS(=O)(=O)c2cccs2)cc1)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000567715345 567270855 /nfs/dbraw/zinc/27/08/55/567270855.db2.gz LMFDPJFPTWKMGG-MIFYACCESA-N 0 2 376.503 3.006 10 0 GGAELN CCC[C@H](CNC(=O)N=c1nc(-c2sccc2C)[nH]s1)C(=O)OCC ZINC000433818892 567274077 /nfs/dbraw/zinc/27/40/77/567274077.db2.gz HJWYGMQOIKLVSZ-LLVKDONJSA-N 0 2 382.511 3.098 10 0 GGAELN O=S(=O)(Nc1ncc(-c2ccc(Cl)cc2)s1)c1cnc2n1CCC2 ZINC000567975816 567294651 /nfs/dbraw/zinc/29/46/51/567294651.db2.gz BGDSFWKHJPBTCC-UHFFFAOYSA-N 0 2 380.882 3.407 10 0 GGAELN O=S(=O)(Nc1nnc(-c2cccs2)o1)c1cccnc1C(F)(F)F ZINC000568117473 567305805 /nfs/dbraw/zinc/30/58/05/567305805.db2.gz SHFQYJPIAMDKJO-UHFFFAOYSA-N 0 2 376.341 3.013 10 0 GGAELN O=S(=O)(Nc1nsc(-c2ccccc2)n1)c1ccc(C(F)(F)F)nc1 ZINC000476240029 567307942 /nfs/dbraw/zinc/30/79/42/567307942.db2.gz RZMLFEMQROBKIT-UHFFFAOYSA-N 0 2 386.380 3.420 10 0 GGAELN COc1cccc(-c2nc(=NC(=O)c3cncc(Br)c3)s[nH]2)c1 ZINC000476319186 567314421 /nfs/dbraw/zinc/31/44/21/567314421.db2.gz CGSWXMXLEKGHPX-UHFFFAOYSA-N 0 2 391.250 3.045 10 0 GGAELN CCC(C)(C)[C@@H](C)NC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000617569814 567323353 /nfs/dbraw/zinc/32/33/53/567323353.db2.gz FEPJNNSWHKCGCN-GFCCVEGCSA-N 0 2 381.523 3.498 10 0 GGAELN COc1cnc(NS(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)nc1 ZINC000500477726 567325434 /nfs/dbraw/zinc/32/54/34/567325434.db2.gz ZEKWKDWZOLIUTA-UHFFFAOYSA-N 0 2 382.854 3.063 10 0 GGAELN CCSCc1ccc(NS(=O)(=O)c2coc(C(=O)N(C)C)c2C)cc1 ZINC000592352808 567330612 /nfs/dbraw/zinc/33/06/12/567330612.db2.gz PXUJNICHNCTGBC-UHFFFAOYSA-N 0 2 382.507 3.344 10 0 GGAELN COC(=O)c1c(C)c(C)sc1NS(=O)(=O)CCCC1CCOCC1 ZINC000592382531 567335523 /nfs/dbraw/zinc/33/55/23/567335523.db2.gz PUKNOBDWVCNAME-UHFFFAOYSA-N 0 2 375.512 3.100 10 0 GGAELN CC1(C(=O)[O-])CC[NH+](Cc2c(F)ccc(I)c2F)CC1 ZINC000592422430 567337560 /nfs/dbraw/zinc/33/75/60/567337560.db2.gz BRRJOMFGDMIODT-UHFFFAOYSA-N 0 2 395.187 3.256 10 0 GGAELN O=C(N=c1ccc(C2CC2)n[nH]1)N[C@@H]1CCOc2c(Br)cccc21 ZINC000548810961 567352527 /nfs/dbraw/zinc/35/25/27/567352527.db2.gz WDCWKTBFUFUGBA-CQSZACIVSA-N 0 2 389.253 3.184 10 0 GGAELN COCCOc1ncccc1NS(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000435475508 567371328 /nfs/dbraw/zinc/37/13/28/567371328.db2.gz UUUARWXIWXKLKQ-UHFFFAOYSA-N 0 2 395.239 3.354 10 0 GGAELN COc1ccc(CCN=c2[nH]nc(C3CCOCC3)s2)c(Cl)c1OC ZINC000549198082 567379695 /nfs/dbraw/zinc/37/96/95/567379695.db2.gz XCKOETVGYJFSCF-UHFFFAOYSA-N 0 2 383.901 3.179 10 0 GGAELN CCOc1ccc(Br)cc1NS(=O)(=O)C[C@@H](OC)C1CC1 ZINC000569121735 567381251 /nfs/dbraw/zinc/38/12/51/567381251.db2.gz IUMAGMLONQMYTQ-CQSZACIVSA-N 0 2 378.288 3.015 10 0 GGAELN CC(C)(C)OC(=O)[C@@H]1CC[C@H](C(=O)N=c2nc(-c3ccsc3)[nH]s2)C1 ZINC000593054932 567382135 /nfs/dbraw/zinc/38/21/35/567382135.db2.gz NXIMDXFEKSVJNB-WDEREUQCSA-N 0 2 379.507 3.385 10 0 GGAELN Cc1ccc(Br)cc1S(=O)(=O)Nc1cc(C(F)(F)F)[nH]n1 ZINC000435723014 567386218 /nfs/dbraw/zinc/38/62/18/567386218.db2.gz PXDPGUSFUBLNMM-UHFFFAOYSA-N 0 2 384.177 3.300 10 0 GGAELN CC(C)(C)[N@@H+]1CCc2nc([N-]S(=O)(=O)Cc3cccc(F)c3)sc2C1 ZINC000569212489 567386863 /nfs/dbraw/zinc/38/68/63/567386863.db2.gz DUCCXKGVPFCUBO-UHFFFAOYSA-N 0 2 383.514 3.381 10 0 GGAELN CC(C)(C)[N@H+]1CCc2nc([N-]S(=O)(=O)Cc3cccc(F)c3)sc2C1 ZINC000569212489 567386870 /nfs/dbraw/zinc/38/68/70/567386870.db2.gz DUCCXKGVPFCUBO-UHFFFAOYSA-N 0 2 383.514 3.381 10 0 GGAELN Cc1ccc(Br)cc1S(=O)(=O)Nc1cc([C@@H]2CCCO2)[nH]n1 ZINC000569293359 567393500 /nfs/dbraw/zinc/39/35/00/567393500.db2.gz MLXWSMBSEFKYDP-LBPRGKRZSA-N 0 2 386.271 3.133 10 0 GGAELN Cc1ccc(Br)cc1S(=O)(=O)Nc1cc([C@H]2CCCO2)[nH]n1 ZINC000569293358 567393869 /nfs/dbraw/zinc/39/38/69/567393869.db2.gz MLXWSMBSEFKYDP-GFCCVEGCSA-N 0 2 386.271 3.133 10 0 GGAELN Brc1cccc(NCCN=c2[nH]nc(C3CCOCC3)s2)c1 ZINC000549522254 567394936 /nfs/dbraw/zinc/39/49/36/567394936.db2.gz USTSNZWCAFLCLA-UHFFFAOYSA-N 0 2 383.315 3.141 10 0 GGAELN C[C@@]1(CNC(=O)c2cccc(NS(=O)(=O)c3cccs3)c2)CC1(F)F ZINC000618605072 567402340 /nfs/dbraw/zinc/40/23/40/567402340.db2.gz UPMGUNVHIUWHKE-HNNXBMFYSA-N 0 2 386.445 3.324 10 0 GGAELN CSc1cccnc1NS(=O)(=O)c1ccc(C)c(C(=O)OC(C)C)c1 ZINC000593287353 567403926 /nfs/dbraw/zinc/40/39/26/567403926.db2.gz KWXDDCOIJKKEQU-UHFFFAOYSA-N 0 2 380.491 3.478 10 0 GGAELN O=C(c1[nH]c2ccc(Cl)cc2c1Cl)N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000549768906 567409167 /nfs/dbraw/zinc/40/91/67/567409167.db2.gz MZCZNLQENLRCMQ-MRVPVSSYSA-N 0 2 380.235 3.318 10 0 GGAELN Cc1cc(Br)cc(S(=O)(=O)Nc2cc(C(F)(F)F)[nH]n2)c1 ZINC000436175808 567410961 /nfs/dbraw/zinc/41/09/61/567410961.db2.gz GXZRTGHGLYAYQU-UHFFFAOYSA-N 0 2 384.177 3.300 10 0 GGAELN O=S(=O)(Nc1cnc(CC2CC2)nc1)c1cc(Cl)ccc1OC(F)F ZINC000569709487 567425576 /nfs/dbraw/zinc/42/55/76/567425576.db2.gz VIIVTGQZKAJDGM-UHFFFAOYSA-N 0 2 389.811 3.485 10 0 GGAELN O=C(c1ccc(NS(=O)(=O)c2cccs2)cc1O)N1CCC12CCC2 ZINC000436573182 567435312 /nfs/dbraw/zinc/43/53/12/567435312.db2.gz HPCPUMQQEWOTQE-UHFFFAOYSA-N 0 2 378.475 3.023 10 0 GGAELN CC(C)(C)c1nc(=NC(=O)Cc2noc3ccc(Br)cc32)s[nH]1 ZINC000569837473 567436084 /nfs/dbraw/zinc/43/60/84/567436084.db2.gz QZKWEGSKICEWAH-UHFFFAOYSA-N 0 2 395.282 3.342 10 0 GGAELN CCOC(=O)CC[C@@H](C)NC(=O)c1cc(Br)cc(Cl)c1O ZINC000436586016 567436747 /nfs/dbraw/zinc/43/67/47/567436747.db2.gz UOVZBZQGFJDBLB-MRVPVSSYSA-N 0 2 378.650 3.270 10 0 GGAELN CCOC(=O)CC[C@H](C)NC(=O)c1cc(Br)cc(Cl)c1O ZINC000436586019 567437448 /nfs/dbraw/zinc/43/74/48/567437448.db2.gz UOVZBZQGFJDBLB-QMMMGPOBSA-N 0 2 378.650 3.270 10 0 GGAELN O=C(NC[C@@H](CO)c1ccccc1)c1cc(Br)cc(Cl)c1O ZINC000436730284 567447410 /nfs/dbraw/zinc/44/74/10/567447410.db2.gz KTJRAYJUNNYWDG-NSHDSACASA-N 0 2 384.657 3.314 10 0 GGAELN O=C(NC[C@@H](O)Cc1ccccc1)c1cc(Br)cc(Cl)c1O ZINC000436730279 567447938 /nfs/dbraw/zinc/44/79/38/567447938.db2.gz KPFVMSYGIPUVAU-LBPRGKRZSA-N 0 2 384.657 3.142 10 0 GGAELN CC(C)(C)OC(=O)CCNC(=O)c1cc(Br)cc(Cl)c1O ZINC000436774088 567450854 /nfs/dbraw/zinc/45/08/54/567450854.db2.gz VKDOYMRCCTXTMR-UHFFFAOYSA-N 0 2 378.650 3.270 10 0 GGAELN O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)[C@H]1CCCC12CC2 ZINC000528771150 567454444 /nfs/dbraw/zinc/45/44/44/567454444.db2.gz RNUKRZXDWKDZEK-CQSZACIVSA-N 0 2 377.491 3.463 10 0 GGAELN Cc1ccsc1-c1nc(=NC(=O)NC[C@@H](C)C(=O)OC(C)(C)C)s[nH]1 ZINC000594087942 567458548 /nfs/dbraw/zinc/45/85/48/567458548.db2.gz JLVRQIMISJDUTN-SNVBAGLBSA-N 0 2 382.511 3.096 10 0 GGAELN O=C(N[C@H](CO)c1ccsc1)c1cc(Br)cc(Cl)c1O ZINC000436914797 567467218 /nfs/dbraw/zinc/46/72/18/567467218.db2.gz LFSPEDSTFODPJQ-LLVKDONJSA-N 0 2 376.659 3.333 10 0 GGAELN Cc1nc(N2C[C@H](C(=O)[O-])[C@@H](c3ccccc3)C2)c(Br)c(C)[nH+]1 ZINC000662892658 567468954 /nfs/dbraw/zinc/46/89/54/567468954.db2.gz LEXFRZBDFNMRGO-KGLIPLIRSA-N 0 2 376.254 3.161 10 0 GGAELN Cc1cc(Br)cc(S(=O)(=O)Nc2cc([C@@H]3CCCO3)[nH]n2)c1 ZINC000570259638 567470499 /nfs/dbraw/zinc/47/04/99/567470499.db2.gz KLXORWRBVNWHNM-ZDUSSCGKSA-N 0 2 386.271 3.133 10 0 GGAELN Cc1ccc(S(=O)(=O)Nc2cnc(CC3CC3)nc2)c(Br)c1 ZINC000551037177 567473954 /nfs/dbraw/zinc/47/39/54/567473954.db2.gz HHEYFZUJAWFNTO-UHFFFAOYSA-N 0 2 382.283 3.301 10 0 GGAELN COc1ccc(Br)c(S(=O)(=O)Nc2cnc(CC3CC3)nc2)c1 ZINC000551051817 567475658 /nfs/dbraw/zinc/47/56/58/567475658.db2.gz MEAADBGLWWXPST-UHFFFAOYSA-N 0 2 398.282 3.001 10 0 GGAELN Cc1ccc(S(=O)(=O)Nc2cc([C@H]3CCCO3)[nH]n2)c(Br)c1 ZINC000570338813 567476126 /nfs/dbraw/zinc/47/61/26/567476126.db2.gz UWYGJKKOXGKMBE-GFCCVEGCSA-N 0 2 386.271 3.133 10 0 GGAELN O=C1C[C@H](c2cccc(NS(=O)(=O)c3c(Cl)ccc(F)c3F)c2)CN1 ZINC000551108989 567479395 /nfs/dbraw/zinc/47/93/95/567479395.db2.gz INFDMGQQKYCDRC-JTQLQIEISA-N 0 2 386.807 3.023 10 0 GGAELN Cc1cc(S(=O)(=O)Nc2ccc(I)cn2)c(C)s1 ZINC000437410187 567497079 /nfs/dbraw/zinc/49/70/79/567497079.db2.gz SRAUKVNDVRPFOG-UHFFFAOYSA-N 0 2 394.259 3.165 10 0 GGAELN CCc1ccc(C[N@@H+]2Cc3cccc(Br)c3C[C@H]2C(=O)[O-])nc1 ZINC000570638918 567502213 /nfs/dbraw/zinc/50/22/13/567502213.db2.gz LRFHEFXPRXJOLQ-KRWDZBQOSA-N 0 2 375.266 3.418 10 0 GGAELN CCc1ccc(C[N@H+]2Cc3cccc(Br)c3C[C@H]2C(=O)[O-])nc1 ZINC000570638918 567502216 /nfs/dbraw/zinc/50/22/16/567502216.db2.gz LRFHEFXPRXJOLQ-KRWDZBQOSA-N 0 2 375.266 3.418 10 0 GGAELN CCC[C@H](C(=O)OCC)n1ccc(NS(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000594703619 567502321 /nfs/dbraw/zinc/50/23/21/567502321.db2.gz ZWYKHKPGZCBXBD-CQSZACIVSA-N 0 2 385.873 3.242 10 0 GGAELN C[C@]1(C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)C[C@H]2C[C@H]2C1 ZINC000551390334 567503253 /nfs/dbraw/zinc/50/32/53/567503253.db2.gz SSCOBWYNRDFPBC-PBKGOJFUSA-N 0 2 377.491 3.319 10 0 GGAELN COC(=O)c1ccc(S(=O)(=O)Nc2nnc(CCC(C)C)s2)c(C)c1 ZINC000594725610 567503452 /nfs/dbraw/zinc/50/34/52/567503452.db2.gz ADPVZOADKAMIEZ-UHFFFAOYSA-N 0 2 383.495 3.023 10 0 GGAELN Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)N2CC(C3CC3)C2)cc1 ZINC000643289183 567504229 /nfs/dbraw/zinc/50/42/29/567504229.db2.gz WOAVKUMSSRVMAN-UHFFFAOYSA-N 0 2 376.503 3.339 10 0 GGAELN O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000643298440 567504791 /nfs/dbraw/zinc/50/47/91/567504791.db2.gz SOYLBJQJPCWFDA-XQQFMLRXSA-N 0 2 377.491 3.319 10 0 GGAELN COC(=O)c1ccc(Cl)cc1S(=O)(=O)Nc1cncc2c1CCCC2 ZINC000594727107 567504912 /nfs/dbraw/zinc/50/49/12/567504912.db2.gz XLJYKFSODWOQMF-UHFFFAOYSA-N 0 2 380.853 3.201 10 0 GGAELN O=S(=O)(Nc1ccc(Br)c(Cl)c1)c1cnc2n1CCC2 ZINC000437674062 567505039 /nfs/dbraw/zinc/50/50/39/567505039.db2.gz MWQDUEVGSIZUMX-UHFFFAOYSA-N 0 2 376.663 3.046 10 0 GGAELN Cc1cc(F)c(Br)cc1S(=O)(=O)Nc1ncn(C(C)(C)C)n1 ZINC000479119782 567505057 /nfs/dbraw/zinc/50/50/57/567505057.db2.gz JWBTWDNYQCSJMB-UHFFFAOYSA-N 0 2 391.266 3.044 10 0 GGAELN O=S(=O)(Nc1nnc(-c2ccccn2)s1)c1ccc2ncsc2c1 ZINC000479127346 567505810 /nfs/dbraw/zinc/50/58/10/567505810.db2.gz HFPOXUOWQYNPEE-UHFFFAOYSA-N 0 2 375.460 3.011 10 0 GGAELN COC[C@](C)(NS(=O)(=O)c1csc(-c2ccccc2)n1)C(F)(F)F ZINC000479134801 567507656 /nfs/dbraw/zinc/50/76/56/567507656.db2.gz OEMRINGUBRZQGQ-ZDUSSCGKSA-N 0 2 380.413 3.056 10 0 GGAELN COC(=O)c1cccc(Cl)c1S(=O)(=O)Nc1ccc2c(C)n[nH]c2c1 ZINC000551467076 567509044 /nfs/dbraw/zinc/50/90/44/567509044.db2.gz QZZGIFMUZKXUTI-UHFFFAOYSA-N 0 2 379.825 3.112 10 0 GGAELN COC(=O)c1cccc(Cl)c1S(=O)(=O)Nc1ccc2c(C)[nH]nc2c1 ZINC000551467076 567509049 /nfs/dbraw/zinc/50/90/49/567509049.db2.gz QZZGIFMUZKXUTI-UHFFFAOYSA-N 0 2 379.825 3.112 10 0 GGAELN CCc1noc(C)c1NS(=O)(=O)c1cc(Br)c(F)cc1OC ZINC000570740918 567509384 /nfs/dbraw/zinc/50/93/84/567509384.db2.gz SEQQMEPAROGQCG-UHFFFAOYSA-N 0 2 393.234 3.256 10 0 GGAELN CCCc1cc(NS(=O)(=O)c2cc(Cl)ccc2OCCCOC)[nH]n1 ZINC000479152173 567510336 /nfs/dbraw/zinc/51/03/36/567510336.db2.gz GQWCNBZXSCNVCB-UHFFFAOYSA-N 0 2 387.889 3.232 10 0 GGAELN O=C(c1c(Cl)cc(Cl)cc1Cl)N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000570848133 567517954 /nfs/dbraw/zinc/51/79/54/567517954.db2.gz JUGXEYBBVRSVSP-UHFFFAOYSA-N 0 2 375.643 3.490 10 0 GGAELN O=C(NC[C@@H](O)COc1cccc(Cl)c1Cl)c1c(O)cc(F)cc1F ZINC000620977615 567554117 /nfs/dbraw/zinc/55/41/17/567554117.db2.gz KKYJHDIFXJLHQC-SECBINFHSA-N 0 2 392.185 3.147 10 0 GGAELN Cn1ncc(NS(=O)(=O)c2cccc(OC(F)(F)F)c2F)c1C(F)F ZINC000644617626 567564681 /nfs/dbraw/zinc/56/46/81/567564681.db2.gz RSGRVGDLPTWTIT-UHFFFAOYSA-N 0 2 389.277 3.196 10 0 GGAELN CCCCOc1ccc(NS(=O)(=O)c2cccnc2C(F)(F)F)cn1 ZINC000571476509 567564679 /nfs/dbraw/zinc/56/46/79/567564679.db2.gz GKZOLOHVOWGSCU-UHFFFAOYSA-N 0 2 375.372 3.475 10 0 GGAELN CCc1nc(C)c(NS(=O)(=O)c2cc3c(cc2Cl)N(C(C)=O)CC3)s1 ZINC000530138590 567573199 /nfs/dbraw/zinc/57/31/99/567573199.db2.gz ZTYCJOXWDVRDPK-UHFFFAOYSA-N 0 2 399.925 3.377 10 0 GGAELN Cn1cc(NS(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)c(C2CC2)n1 ZINC000571580163 567573221 /nfs/dbraw/zinc/57/32/21/567573221.db2.gz YSDBOKMLUAGCNU-UHFFFAOYSA-N 0 2 377.800 3.353 10 0 GGAELN COc1cccc(OC(F)(F)F)c1S(=O)(=O)Nc1ccnn1C(C)C ZINC000530152181 567576379 /nfs/dbraw/zinc/57/63/79/567576379.db2.gz HPKDOOQVJYHOHL-UHFFFAOYSA-N 0 2 379.360 3.172 10 0 GGAELN CCc1nc(NS(=O)(=O)c2cc3c(cc2Cl)N(C(C)=O)CC3)sc1C ZINC000530151728 567576577 /nfs/dbraw/zinc/57/65/77/567576577.db2.gz GFTIRERXDPFNLP-UHFFFAOYSA-N 0 2 399.925 3.377 10 0 GGAELN CCc1csc(NS(=O)(=O)c2c(OC)cccc2OC(F)(F)F)n1 ZINC000530152155 567576595 /nfs/dbraw/zinc/57/65/95/567576595.db2.gz HFNVZAZDVDLMGG-UHFFFAOYSA-N 0 2 382.385 3.414 10 0 GGAELN CC(=O)N1CCc2cc(S(=O)(=O)Nc3nc(C)c(C)s3)c(Cl)cc21 ZINC000530152849 567576683 /nfs/dbraw/zinc/57/66/83/567576683.db2.gz KXXTXGPYAUEDDK-UHFFFAOYSA-N 0 2 385.898 3.123 10 0 GGAELN CC(=O)N1CCc2cc(S(=O)(=O)Nc3c(C)ccnc3C)c(Cl)cc21 ZINC000530156067 567576869 /nfs/dbraw/zinc/57/68/69/567576869.db2.gz MXCLMKCGYBYNGM-UHFFFAOYSA-N 0 2 379.869 3.062 10 0 GGAELN CCCc1nnc(NS(=O)(=O)c2c(OC)cccc2OC(F)(F)F)s1 ZINC000530153634 567576914 /nfs/dbraw/zinc/57/69/14/567576914.db2.gz MFSFJOGMZWBPID-UHFFFAOYSA-N 0 2 397.400 3.199 10 0 GGAELN O=C([O-])c1cnc(C[NH+]2CCC(c3ccccc3Br)CC2)cn1 ZINC000530163184 567577490 /nfs/dbraw/zinc/57/74/90/567577490.db2.gz NBOWQIUQLSHTJL-UHFFFAOYSA-N 0 2 376.254 3.317 10 0 GGAELN CCCOc1cncc(NS(=O)(=O)c2cc(Cl)c(OC)cc2OC)c1 ZINC000530156583 567577506 /nfs/dbraw/zinc/57/75/06/567577506.db2.gz AFIMALIOODRYSZ-UHFFFAOYSA-N 0 2 386.857 3.342 10 0 GGAELN CCn1nc(C)cc1NS(=O)(=O)c1cc(Br)ccc1Cl ZINC000530157755 567577657 /nfs/dbraw/zinc/57/76/57/567577657.db2.gz OXUJFMAGTJRMLI-UHFFFAOYSA-N 0 2 378.679 3.428 10 0 GGAELN CC(=O)N1CCc2cc(S(=O)(=O)Nc3cc(C)cnc3C)c(Cl)cc21 ZINC000530157001 567578066 /nfs/dbraw/zinc/57/80/66/567578066.db2.gz ORDRXHFAPUNJMH-UHFFFAOYSA-N 0 2 379.869 3.062 10 0 GGAELN O=C([O-])[C@@H]1c2ccoc2CC[N@H+]1Cc1nc2cc(Br)ccc2[nH]1 ZINC000530164673 567578377 /nfs/dbraw/zinc/57/83/77/567578377.db2.gz KNFFJFVWWPQGLT-HNNXBMFYSA-N 0 2 376.210 3.102 10 0 GGAELN O=C([O-])[C@@H]1c2ccoc2CC[N@@H+]1Cc1nc2cc(Br)ccc2[nH]1 ZINC000530164673 567578382 /nfs/dbraw/zinc/57/83/82/567578382.db2.gz KNFFJFVWWPQGLT-HNNXBMFYSA-N 0 2 376.210 3.102 10 0 GGAELN O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)[C@@H]1CCC[C@H]2C[C@H]21 ZINC000621394415 567583072 /nfs/dbraw/zinc/58/30/72/567583072.db2.gz DAQSWUHRGHMEKY-NILFDRSVSA-N 0 2 377.491 3.319 10 0 GGAELN Cc1ccsc1-c1nc(=NC(=O)NC[C@H](CO)CC2CCCC2)s[nH]1 ZINC000439377541 567584072 /nfs/dbraw/zinc/58/40/72/567584072.db2.gz JSFJGTCSYMEQAS-CYBMUJFWSA-N 0 2 380.539 3.307 10 0 GGAELN CC[C@H](C)n1ncc(NS(=O)(=O)c2ccc(C(=O)OC)c(Cl)c2)c1C ZINC000480198362 567587079 /nfs/dbraw/zinc/58/70/79/567587079.db2.gz PCGMRHCKIUAUOO-JTQLQIEISA-N 0 2 385.873 3.403 10 0 GGAELN COc1ccc(S(=O)(=O)Nc2cnn(CC(C)C)c2C(F)F)c(F)c1 ZINC000480212877 567588431 /nfs/dbraw/zinc/58/84/31/567588431.db2.gz IIBPHCLNSBBMEN-UHFFFAOYSA-N 0 2 377.388 3.425 10 0 GGAELN CCc1ccc(S(=O)(=O)Nc2cccc(N3C(=O)CCCC3=O)c2)s1 ZINC000530284550 567588843 /nfs/dbraw/zinc/58/88/43/567588843.db2.gz GJUKNTYSMRBVAC-UHFFFAOYSA-N 0 2 378.475 3.155 10 0 GGAELN CC(C)(C)n1cnc(=NC(=O)N[C@H](CCO)c2ccc(Cl)c(Cl)c2)[nH]1 ZINC000480369291 567598877 /nfs/dbraw/zinc/59/88/77/567598877.db2.gz UGEMFJNFSYYGAC-CYBMUJFWSA-N 0 2 386.283 3.007 10 0 GGAELN COC(=O)c1csc(S(=O)(=O)Nc2ccc(O[C@@H]3CC3(F)F)cc2)c1 ZINC000596020194 567599106 /nfs/dbraw/zinc/59/91/06/567599106.db2.gz FCHJJLLPNPOPMJ-GFCCVEGCSA-N 0 2 389.401 3.122 10 0 GGAELN CC1(C)C(=O)Nc2ccc(S(=O)(=O)Nc3ncc(C(F)(F)F)s3)cc21 ZINC000530440190 567603238 /nfs/dbraw/zinc/60/32/38/567603238.db2.gz NSEQHZAFUQFAHS-UHFFFAOYSA-N 0 2 391.396 3.192 10 0 GGAELN COc1cc(F)c(S(=O)(=O)N[C@@H](c2nccs2)C(F)(F)F)c(F)c1 ZINC000645094462 567605278 /nfs/dbraw/zinc/60/52/78/567605278.db2.gz FGPVQVGDOLIDQL-JTQLQIEISA-N 0 2 388.339 3.012 10 0 GGAELN CN1CCc2ccc(S(=O)(=O)Nc3nc4cc(F)c(F)cc4s3)cc21 ZINC000439880579 567607053 /nfs/dbraw/zinc/60/70/53/567607053.db2.gz KPAVAMUJTDMJFN-UHFFFAOYSA-N 0 2 381.429 3.368 10 0 GGAELN Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)N2CCCCCO2)cc1 ZINC000530523984 567608215 /nfs/dbraw/zinc/60/82/15/567608215.db2.gz OYTMWNVCPHNUKA-UHFFFAOYSA-N 0 2 380.491 3.415 10 0 GGAELN Cn1nc(CC(=O)Nc2cc(Cl)cc(Cl)c2O)c2ccccc2c1=O ZINC000572052962 567610006 /nfs/dbraw/zinc/61/00/06/567610006.db2.gz MSYMXKYEZJSHPU-UHFFFAOYSA-N 0 2 378.215 3.127 10 0 GGAELN O=C(Cc1cscc1Br)Nc1cccc(-c2nc(=O)o[nH]2)c1 ZINC000645267977 567616133 /nfs/dbraw/zinc/61/61/33/567616133.db2.gz PSRGKEFUSLOLRN-UHFFFAOYSA-N 0 2 380.223 3.035 10 0 GGAELN Cc1cc(Br)cc(C)c1N1CCC[C@H](Sc2n[nH]c(=O)[nH]2)C1=O ZINC000506416869 567624842 /nfs/dbraw/zinc/62/48/42/567624842.db2.gz PBFCXBVLBRFUGS-NSHDSACASA-N 0 2 397.298 3.177 10 0 GGAELN CCO[C@@H]1C[C@H]([NH2+]Cc2nnc(-c3ccc(Br)cc3)[nH]2)[C@H]1SC ZINC000459458902 567625354 /nfs/dbraw/zinc/62/53/54/567625354.db2.gz HMPVTYNLLDOHOZ-GZBFAFLISA-N 0 2 397.342 3.233 10 0 GGAELN CCO[C@@H]1C[C@@H]([NH2+]Cc2nnc(-c3ccc(Br)cc3)[nH]2)[C@@H]1SC ZINC000459458904 567625584 /nfs/dbraw/zinc/62/55/84/567625584.db2.gz HMPVTYNLLDOHOZ-NFAWXSAZSA-N 0 2 397.342 3.233 10 0 GGAELN Cc1csc(-c2nnc(NS(=O)(=O)c3cn4c(n3)CCC[C@@H]4C)o2)c1 ZINC000622043098 567633235 /nfs/dbraw/zinc/63/32/35/567633235.db2.gz RQVKEOJYIFUIFR-JTQLQIEISA-N 0 2 379.467 3.001 10 0 GGAELN Cc1csc(-c2nnc(NS(=O)(=O)c3ccc4c(c3)C[C@@H](C)O4)o2)c1 ZINC000622042682 567633491 /nfs/dbraw/zinc/63/34/91/567633491.db2.gz GXGLZUVOBVAEJW-SNVBAGLBSA-N 0 2 377.447 3.231 10 0 GGAELN Cc1csc(-c2nnc(NS(=O)(=O)c3c(C)nn(C(C)C)c3C)o2)c1 ZINC000622043305 567633526 /nfs/dbraw/zinc/63/35/26/567633526.db2.gz YLNVAXQUHJDHBT-UHFFFAOYSA-N 0 2 381.483 3.302 10 0 GGAELN Cc1c2cc(Br)cc(C)c2oc1C(=O)N(C)CC1N=NC(=O)O1 ZINC000622117169 567638063 /nfs/dbraw/zinc/63/80/63/567638063.db2.gz UMMHYRAZLDTHFT-UHFFFAOYSA-N 0 2 380.198 3.173 10 0 GGAELN O=C(NCC[C@H]1CC1(F)F)c1cccc(NS(=O)(=O)c2cccs2)c1 ZINC000622201052 567642483 /nfs/dbraw/zinc/64/24/83/567642483.db2.gz BLEQGZJXZOXQAB-LBPRGKRZSA-N 0 2 386.445 3.324 10 0 GGAELN O=C(NCC[C@@H]1CC1(F)F)c1cccc(NS(=O)(=O)c2cccs2)c1 ZINC000622201051 567642776 /nfs/dbraw/zinc/64/27/76/567642776.db2.gz BLEQGZJXZOXQAB-GFCCVEGCSA-N 0 2 386.445 3.324 10 0 GGAELN C[C@@]1(C(F)F)CN(C(=O)c2cc(Cl)cc(Br)c2O)CCO1 ZINC000622187206 567642822 /nfs/dbraw/zinc/64/28/22/567642822.db2.gz ICHRRPNILLEUOE-ZDUSSCGKSA-N 0 2 384.604 3.304 10 0 GGAELN COC(=O)c1cncc(NS(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)c1 ZINC000506848075 567645997 /nfs/dbraw/zinc/64/59/97/567645997.db2.gz VAWNQQKUJXCBNM-UHFFFAOYSA-N 0 2 394.758 3.341 10 0 GGAELN O=S(=O)(CCC[C@@H]1CCOC1)N[C@H](CCc1ccccc1)C(F)(F)F ZINC000645642690 567650892 /nfs/dbraw/zinc/65/08/92/567650892.db2.gz KNCIJIMUSDILFD-HZPDHXFCSA-N 0 2 379.444 3.286 10 0 GGAELN COc1ccc([C@@H](NS(=O)(=O)CCC[C@@H]2CCOC2)C(F)(F)F)cc1 ZINC000645646650 567651196 /nfs/dbraw/zinc/65/11/96/567651196.db2.gz LWKZGNBYAKQPCT-IUODEOHRSA-N 0 2 381.416 3.035 10 0 GGAELN O=S(=O)(CCCC1CCOCC1)N[C@H](c1cc(F)ccc1F)C(F)F ZINC000645686797 567655733 /nfs/dbraw/zinc/65/57/33/567655733.db2.gz FDZPTCFUVGHNFZ-OAHLLOKOSA-N 0 2 383.407 3.397 10 0 GGAELN COc1cccc(-c2nc(=NC(=O)NCCC3(CSC)CC3)s[nH]2)c1 ZINC000596826552 567657356 /nfs/dbraw/zinc/65/73/56/567657356.db2.gz SDQPSSXUCRIGJQ-UHFFFAOYSA-N 0 2 378.523 3.290 10 0 GGAELN COC(=O)c1cncc(NS(=O)(=O)c2c(Cl)ccc(C)c2Cl)c1 ZINC000507097889 567658529 /nfs/dbraw/zinc/65/85/29/567658529.db2.gz LHHZVPBJDPJSTG-UHFFFAOYSA-N 0 2 375.233 3.284 10 0 GGAELN C[C@H](CC(F)(F)F)C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000459814905 567660105 /nfs/dbraw/zinc/66/01/05/567660105.db2.gz NBZBZHLKHJHEQA-SECBINFHSA-N 0 2 393.412 3.471 10 0 GGAELN O=C(N=c1ccc(-c2ccc(Cl)s2)n[nH]1)[C@@H]1CCCN1CC(F)(F)F ZINC000622929218 567668559 /nfs/dbraw/zinc/66/85/59/567668559.db2.gz HUSODSHCWOTWKA-JTQLQIEISA-N 0 2 390.818 3.246 10 0 GGAELN Cc1nn(C)c(C)c1[C@H](C)C(=O)N=c1ccc(-c2ccc(Cl)s2)n[nH]1 ZINC000622929600 567668608 /nfs/dbraw/zinc/66/86/08/567668608.db2.gz WIOKVCORNFJPNH-VIFPVBQESA-N 0 2 375.885 3.373 10 0 GGAELN CC(=O)Nc1cc(F)c(S(=O)(=O)NC[C@H](C)CC(F)F)c(F)c1Cl ZINC000645795864 567668606 /nfs/dbraw/zinc/66/86/06/567668606.db2.gz VIQAMQWYEFCBSZ-ZCFIWIBFSA-N 0 2 390.786 3.146 10 0 GGAELN Cc1sc(=O)n(CCC(=O)N=c2ccc(-c3ccc(Cl)s3)n[nH]2)c1C ZINC000622929665 567668972 /nfs/dbraw/zinc/66/89/72/567668972.db2.gz YIPZGVISJGXQGG-UHFFFAOYSA-N 0 2 394.909 3.149 10 0 GGAELN COc1ccccc1C1(NS(=O)(=O)c2c(F)c(F)cc(F)c2F)CC1 ZINC000645809296 567671858 /nfs/dbraw/zinc/67/18/58/567671858.db2.gz SLISYZWLXWBYDP-UHFFFAOYSA-N 0 2 375.343 3.219 10 0 GGAELN CC[C@@H]1CN(C(=O)N=c2ccc(-c3ccc(Cl)s3)n[nH]2)C[C@H](C)[S@]1=O ZINC000597018152 567671960 /nfs/dbraw/zinc/67/19/60/567671960.db2.gz DGECFHGKEJXICH-BTZQTZEISA-N 0 2 398.941 3.044 10 0 GGAELN CN(CCOc1ccc(F)cc1)C(=O)N=c1nc(-c2ccsc2)[nH]s1 ZINC000460129765 567673712 /nfs/dbraw/zinc/67/37/12/567673712.db2.gz BHCYJCUFRCJCHE-UHFFFAOYSA-N 0 2 378.454 3.370 10 0 GGAELN C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1sccc1Br ZINC000531705949 567674537 /nfs/dbraw/zinc/67/45/37/567674537.db2.gz DZBFKBPPKHUTOO-JSGCOSHPSA-N 0 2 388.375 3.104 10 0 GGAELN CO[C@@H](C)c1nsc(NCCC(=O)Nc2cc(Cl)cc(Cl)c2)n1 ZINC000572978610 567679806 /nfs/dbraw/zinc/67/98/06/567679806.db2.gz QYLRFSSPAJHFJQ-QMMMGPOBSA-N 0 2 375.281 3.415 10 0 GGAELN Cc1cc(C[C@H](C)NC(=O)N=c2nc(-c3cccc(Cl)c3)[nH]s2)[nH]n1 ZINC000481476975 567681290 /nfs/dbraw/zinc/68/12/90/567681290.db2.gz JDMFHIUYFOTUPH-VIFPVBQESA-N 0 2 376.873 3.065 10 0 GGAELN Cc1cc(C[C@H](C)NC(=O)N=c2nc(-c3cccc(Cl)c3)[nH]s2)n[nH]1 ZINC000481476975 567681292 /nfs/dbraw/zinc/68/12/92/567681292.db2.gz JDMFHIUYFOTUPH-VIFPVBQESA-N 0 2 376.873 3.065 10 0 GGAELN Cc1ccsc1-c1nc(=NC(=O)N=c2ccn(CCC(C)C)[nH]2)s[nH]1 ZINC000481535246 567687044 /nfs/dbraw/zinc/68/70/44/567687044.db2.gz ZUKKTXSAUJFMKB-UHFFFAOYSA-N 0 2 376.511 3.305 10 0 GGAELN CC(C)(C)OC(=O)C1(C(=O)N=c2nc(-c3ccsc3)[nH]s2)CC=CC1 ZINC000597192187 567687395 /nfs/dbraw/zinc/68/73/95/567687395.db2.gz KXWYMZSHKFEISN-UHFFFAOYSA-N 0 2 377.491 3.305 10 0 GGAELN Cc1ccc(S(=O)(=O)Nc2cnc3c(Br)cccn23)c(F)c1 ZINC000460646389 567696019 /nfs/dbraw/zinc/69/60/19/567696019.db2.gz CTQDNYWJERWFKV-UHFFFAOYSA-N 0 2 384.230 3.345 10 0 GGAELN Cc1ccc(S(=O)(=O)[N-]c2c[nH+]c3c(Br)cccn23)c(F)c1 ZINC000460646389 567696024 /nfs/dbraw/zinc/69/60/24/567696024.db2.gz CTQDNYWJERWFKV-UHFFFAOYSA-N 0 2 384.230 3.345 10 0 GGAELN Cc1cc(S(=O)(=O)Nc2cnc3c(Br)cccn23)ccc1F ZINC000460649327 567696592 /nfs/dbraw/zinc/69/65/92/567696592.db2.gz NWIDUCOJIIZMQJ-UHFFFAOYSA-N 0 2 384.230 3.345 10 0 GGAELN CCc1ncc(S(=O)(=O)Nc2ccc(-c3noc(C(F)F)n3)cc2)s1 ZINC000460761918 567701261 /nfs/dbraw/zinc/70/12/61/567701261.db2.gz ZBFWKVXDDRJTKN-UHFFFAOYSA-N 0 2 386.405 3.494 10 0 GGAELN CCCn1nccc1NS(=O)(=O)c1cnn(-c2ccc(Cl)cc2)c1C ZINC000460831461 567704458 /nfs/dbraw/zinc/70/44/58/567704458.db2.gz VNOARCVRUDYXBN-UHFFFAOYSA-N 0 2 379.873 3.241 10 0 GGAELN Cc1c(C[S@@](C)=O)cccc1NS(=O)(=O)c1cnccc1C(F)(F)F ZINC000442831876 567711157 /nfs/dbraw/zinc/71/11/57/567711157.db2.gz XJTODFMTXNNUKT-XMMPIXPASA-N 0 2 392.424 3.088 10 0 GGAELN CCOc1cc(NS(=O)(=O)c2cnccc2C(F)(F)F)ccc1OC ZINC000442825096 567711389 /nfs/dbraw/zinc/71/13/89/567711389.db2.gz KQYDDRKFNLZWMO-UHFFFAOYSA-N 0 2 376.356 3.309 10 0 GGAELN COCCOc1ccc(Br)cc1NS(=O)(=O)c1ccsc1 ZINC000507892453 567713196 /nfs/dbraw/zinc/71/31/96/567713196.db2.gz KCKUJDARSSLYIS-UHFFFAOYSA-N 0 2 392.296 3.337 10 0 GGAELN COC(=O)c1ccc(S(=O)(=O)Nc2ncc(Cl)cc2C)cc1Cl ZINC000461188743 567724014 /nfs/dbraw/zinc/72/40/14/567724014.db2.gz SOFRJEFBXQSJEA-UHFFFAOYSA-N 0 2 375.233 3.284 10 0 GGAELN COc1cccc(OC)c1S(=O)(=O)Nc1ncc(-c2cccnc2)s1 ZINC000508069987 567725070 /nfs/dbraw/zinc/72/50/70/567725070.db2.gz TZLYNHHWRCNGJY-UHFFFAOYSA-N 0 2 377.447 3.023 10 0 GGAELN CNC(=O)c1ccc(S(=O)(=O)Nc2ccc3c(Cl)cccc3n2)cc1 ZINC000508067451 567725142 /nfs/dbraw/zinc/72/51/42/567725142.db2.gz IXYCHZRCGFABGJ-UHFFFAOYSA-N 0 2 375.837 3.049 10 0 GGAELN NC(=O)c1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)s2)cc1Cl ZINC000461336190 567730079 /nfs/dbraw/zinc/73/00/79/567730079.db2.gz CPDSUDOKGLUCKW-UHFFFAOYSA-N 0 2 384.788 3.320 10 0 GGAELN O=S(=O)(Nc1nc2c(cccc2Br)s1)c1cnc2n1CCC2 ZINC000508104261 567730304 /nfs/dbraw/zinc/73/03/04/567730304.db2.gz SNBQUASOIXIZQG-UHFFFAOYSA-N 0 2 399.295 3.002 10 0 GGAELN COc1cnc(NS(=O)(=O)c2cc(Cl)ccc2OCC2CCC2)nc1 ZINC000532746783 567731546 /nfs/dbraw/zinc/73/15/46/567731546.db2.gz KJFVKHKRAOAPBU-UHFFFAOYSA-N 0 2 383.857 3.118 10 0 GGAELN COc1cc(OC)cc(S(=O)(=O)Nc2ncc(-c3cccnc3)s2)c1 ZINC000508140682 567733383 /nfs/dbraw/zinc/73/33/83/567733383.db2.gz AHFBDQBTTNROFB-UHFFFAOYSA-N 0 2 377.447 3.023 10 0 GGAELN O=S(=O)(Nc1cc([C@@H]2CCCO2)[nH]n1)c1ccc(F)cc1C(F)(F)F ZINC000573748915 567734215 /nfs/dbraw/zinc/73/42/15/567734215.db2.gz JJIZJHSJISWBLT-NSHDSACASA-N 0 2 379.335 3.220 10 0 GGAELN O=S(=O)(Nc1cncc(Br)c1)c1cnccc1C(F)(F)F ZINC000443145263 567735703 /nfs/dbraw/zinc/73/57/03/567735703.db2.gz MNPIWCXZGOPHGS-UHFFFAOYSA-N 0 2 382.161 3.059 10 0 GGAELN O=C(N[C@@H](CO)c1ccc(Br)c(F)c1)c1c(O)cc(F)cc1F ZINC000647036982 567756102 /nfs/dbraw/zinc/75/61/02/567756102.db2.gz PREQFWWOGNHWPK-LBPRGKRZSA-N 0 2 390.155 3.035 10 0 GGAELN Cc1cccc2cc(S(=O)(=O)Nc3cnn(C[C@H]4CCCO4)c3)sc21 ZINC000647124455 567761579 /nfs/dbraw/zinc/76/15/79/567761579.db2.gz HCECHRZTCVZJOT-OAHLLOKOSA-N 0 2 377.491 3.386 10 0 GGAELN CCCOc1ccc(Cl)cc1NS(=O)(=O)C[C@@H](OC)C1CCOCC1 ZINC000647125066 567761853 /nfs/dbraw/zinc/76/18/53/567761853.db2.gz TZDLTFPEJUFNBY-QGZVFWFLSA-N 0 2 391.917 3.312 10 0 GGAELN CSc1ccc(NS(=O)(=O)c2coc(C(=O)N(C)C)c2C)cc1Cl ZINC000647128137 567763027 /nfs/dbraw/zinc/76/30/27/567763027.db2.gz QUDHHSAXBOLBCT-UHFFFAOYSA-N 0 2 388.898 3.466 10 0 GGAELN COC(=O)c1c(F)ccc(NS(=O)(=O)c2ccc(F)c(F)c2F)c1C ZINC000574246778 567766819 /nfs/dbraw/zinc/76/68/19/567766819.db2.gz PGKHNNZQQCWKQG-UHFFFAOYSA-N 0 2 377.315 3.139 10 0 GGAELN COc1ccc(Br)cc1S(=O)(=O)Nc1cnc2onc(C)c2c1 ZINC000462104857 567772448 /nfs/dbraw/zinc/77/24/48/567772448.db2.gz RPGLIJFCLYAABC-UHFFFAOYSA-N 0 2 398.238 3.103 10 0 GGAELN O=S(=O)(CCCC1CCOCC1)Nc1nnc(Cc2ccccc2)s1 ZINC000647267460 567775656 /nfs/dbraw/zinc/77/56/56/567775656.db2.gz FCYQHRSOOPRCEN-UHFFFAOYSA-N 0 2 381.523 3.077 10 0 GGAELN COc1ccc(S(=O)(=O)Nc2[nH]nc(C(C)C)c2C)c(Br)c1 ZINC000647278769 567777584 /nfs/dbraw/zinc/77/75/84/567777584.db2.gz FFOGWIOATQZQHV-UHFFFAOYSA-N 0 2 388.287 3.413 10 0 GGAELN CC(=O)Nc1cc(F)c(S(=O)(=O)Nc2[nH]nc(C(C)C)c2C)cc1Cl ZINC000647278886 567777865 /nfs/dbraw/zinc/77/78/65/567777865.db2.gz RTCPDTTUDFWNLB-UHFFFAOYSA-N 0 2 388.852 3.393 10 0 GGAELN COc1cc(S(=O)(=O)Nc2[nH]nc(C(C)C)c2C)ccc1Br ZINC000647278855 567777882 /nfs/dbraw/zinc/77/78/82/567777882.db2.gz OROIYLICGOKBBY-UHFFFAOYSA-N 0 2 388.287 3.413 10 0 GGAELN O=S(=O)(N[C@H](c1nccs1)C(F)(F)F)c1ccc(Br)o1 ZINC000555413215 567782325 /nfs/dbraw/zinc/78/23/25/567782325.db2.gz JASASVBNTLPPFK-SSDOTTSWSA-N 0 2 391.190 3.081 10 0 GGAELN O=S(=O)(Nc1nnc(CC(F)(F)F)s1)c1c(F)cccc1Cl ZINC000444050307 567786902 /nfs/dbraw/zinc/78/69/02/567786902.db2.gz OIZDGRPAZKCLMU-UHFFFAOYSA-N 0 2 375.756 3.236 10 0 GGAELN C[C@H]1CC[N@H+](Cc2ncc(Br)cc2Br)C[C@@H]1C(=O)[O-] ZINC000647461760 567787073 /nfs/dbraw/zinc/78/70/73/567787073.db2.gz XKKJVKHUAHEZIG-WPRPVWTQSA-N 0 2 392.091 3.149 10 0 GGAELN C[C@H]1CC[N@@H+](Cc2ncc(Br)cc2Br)C[C@@H]1C(=O)[O-] ZINC000647461760 567787080 /nfs/dbraw/zinc/78/70/80/567787080.db2.gz XKKJVKHUAHEZIG-WPRPVWTQSA-N 0 2 392.091 3.149 10 0 GGAELN O=C(Cc1csc2ccc(Cl)cc12)N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000555557839 567789329 /nfs/dbraw/zinc/78/93/29/567789329.db2.gz FCDZFFXZEXXXQW-SNVBAGLBSA-N 0 2 376.869 3.327 10 0 GGAELN O=S(=O)(Nc1cncc2ccccc21)c1cc2c(cc1Cl)OCCO2 ZINC000533939478 567794150 /nfs/dbraw/zinc/79/41/50/567794150.db2.gz MTYMGPXXWSGVSN-UHFFFAOYSA-N 0 2 376.821 3.460 10 0 GGAELN COC(=O)[C@H]1CC[C@H](C(=O)N=c2ccc(-c3ccc(Cl)s3)n[nH]2)CC1 ZINC000598868902 567796102 /nfs/dbraw/zinc/79/61/02/567796102.db2.gz LONBQDULIZWGIZ-XYPYZODXSA-N 0 2 379.869 3.198 10 0 GGAELN C[C@H]1CCCc2nc(S(=O)(=O)Nc3nnc(-c4ccccc4)s3)cn21 ZINC000668149730 567798114 /nfs/dbraw/zinc/79/81/14/567798114.db2.gz LUMWCWNRLLMZQX-NSHDSACASA-N 0 2 375.479 3.100 10 0 GGAELN CCc1ccc2nc(NS(=O)(=O)c3ccc(C(=O)NC)cc3)sc2c1 ZINC000534205718 567803518 /nfs/dbraw/zinc/80/35/18/567803518.db2.gz VTBQLOQHDYVVGD-UHFFFAOYSA-N 0 2 375.475 3.019 10 0 GGAELN CC(C)c1nc(NS(=O)(=O)c2cc(Br)cc3cccnc32)no1 ZINC000575021180 567808792 /nfs/dbraw/zinc/80/87/92/567808792.db2.gz SMMXTEAEFBZQGW-UHFFFAOYSA-N 0 2 397.254 3.305 10 0 GGAELN C[C@@]1(c2ccco2)NC(=O)N(NC(=O)c2sc3ccccc3c2Cl)C1=O ZINC000021554010 570292379 /nfs/dbraw/zinc/29/23/79/570292379.db2.gz GAIWUHGBUHJJQA-KRWDZBQOSA-N 0 2 389.820 3.260 10 0 GGAELN CCOC(=O)N[C@](Nc1ccc(F)c(F)c1F)(C(=O)OCC)C(F)(F)F ZINC000003138066 570330350 /nfs/dbraw/zinc/33/03/50/570330350.db2.gz FVFFXXRLOPTCOZ-CYBMUJFWSA-N 0 2 388.264 3.084 10 0 GGAELN CC(C)Oc1cccc(-c2nnc(CCC(=O)NC3CCCCC3)c(=O)[nH]2)c1 ZINC000034764333 570333091 /nfs/dbraw/zinc/33/30/91/570333091.db2.gz GUDPDXXSDDMZGS-UHFFFAOYSA-N 0 2 384.480 3.413 10 0 GGAELN CCOc1cccc(-c2nnc(CCC(=O)N[C@@H](C)c3ccccc3)c(=O)[nH]2)c1 ZINC000034764755 570333152 /nfs/dbraw/zinc/33/31/52/570333152.db2.gz TXKOXTURSDPYHZ-HNNXBMFYSA-N 0 2 392.459 3.453 10 0 GGAELN CC(C)CCNC(=O)CCc1nnc(-c2cccc(OCC(C)C)c2)[nH]c1=O ZINC000034765601 570333683 /nfs/dbraw/zinc/33/36/83/570333683.db2.gz BALVDAUMFUPVNI-UHFFFAOYSA-N 0 2 386.496 3.374 10 0 GGAELN COc1ccc(NS(=O)(=O)c2cc(-c3noc(C)n3)sc2C)c(OC)c1 ZINC000035539008 570391180 /nfs/dbraw/zinc/39/11/80/570391180.db2.gz KGURBVJYGMHFKR-UHFFFAOYSA-N 0 2 395.462 3.233 10 0 GGAELN CC(C)NC(=O)C1(c2ccc(NS(=O)(=O)c3ccccc3F)cc2)CC1 ZINC000033274519 570523014 /nfs/dbraw/zinc/52/30/14/570523014.db2.gz BGIRGGXAFMMUNH-UHFFFAOYSA-N 0 2 376.453 3.183 10 0 GGAELN CC1CCC2(CC1)NC(=O)N(NC(=O)c1ccc(-c3ccccc3F)o1)C2=O ZINC000018024009 570794762 /nfs/dbraw/zinc/79/47/62/570794762.db2.gz KTHJWDUTLDWJPM-UHFFFAOYSA-N 0 2 385.395 3.231 10 0 GGAELN O=C(CCc1c[nH]c2ccccc12)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000018217417 570810955 /nfs/dbraw/zinc/81/09/55/570810955.db2.gz VNCRECXTJFGYFO-UHFFFAOYSA-N 0 2 377.488 3.249 10 0 GGAELN O=C(CCc1c[nH]c2ccccc12)NCc1ccc(CN2CCOCC2)cc1 ZINC000018217417 570810958 /nfs/dbraw/zinc/81/09/58/570810958.db2.gz VNCRECXTJFGYFO-UHFFFAOYSA-N 0 2 377.488 3.249 10 0 GGAELN COc1ccc(-c2nnc(SCC(=O)N[C@H]3CCCC[C@@H]3C)[nH]c2=O)cc1 ZINC000032778631 570811653 /nfs/dbraw/zinc/81/16/53/570811653.db2.gz UVOSGCORVLOCON-WFASDCNBSA-N 0 2 388.493 3.040 10 0 GGAELN COc1ccc(-c2nnc(SCC(=O)Nc3cccc(C)c3)[nH]c2=O)cc1 ZINC000032778614 570811685 /nfs/dbraw/zinc/81/16/85/570811685.db2.gz FWIOBEZNGCZBJV-UHFFFAOYSA-N 0 2 382.445 3.292 10 0 GGAELN Cn1c(O)c(C2=Nc3ccccc3S[C@H](c3ccccc3)C2)c(=O)n(C)c1=O ZINC000101766279 570831204 /nfs/dbraw/zinc/83/12/04/570831204.db2.gz SCJSCTLIRYKGPL-KRWDZBQOSA-N 0 2 393.468 3.148 10 0 GGAELN COc1cccc(NCc2nn3c(nc(C)c(Cc4ccc(C)cc4)c3=O)[nH]2)c1 ZINC000101802994 570835154 /nfs/dbraw/zinc/83/51/54/570835154.db2.gz HUAVUWJDHPNMDS-UHFFFAOYSA-N 0 2 389.459 3.246 10 0 GGAELN Cc1ccc(Cc2c(C)nc3[nH]c(CNc4ccc(F)cc4)nn3c2=O)cc1 ZINC000101802920 570835267 /nfs/dbraw/zinc/83/52/67/570835267.db2.gz OUXQGTJAFFUGQD-UHFFFAOYSA-N 0 2 377.423 3.376 10 0 GGAELN Cc1cccc(C(=O)N(Cc2nn3c(nc(C)cc3=O)[nH]2)c2cccc(C)c2)c1 ZINC000101802266 570835465 /nfs/dbraw/zinc/83/54/65/570835465.db2.gz NPHHVAAECXULKR-UHFFFAOYSA-N 0 2 387.443 3.190 10 0 GGAELN Cc1ccc(C2=Nc3nc(NS(C)(=O)=O)nn3[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000101836473 570837180 /nfs/dbraw/zinc/83/71/80/570837180.db2.gz DZBAVHFNHCGLIS-QGZVFWFLSA-N 0 2 399.451 3.153 10 0 GGAELN Cc1ccc(C2=Nc3nc(NS(C)(=O)=O)nn3[C@H](c3ccc(F)cc3)C2)cc1 ZINC000101836480 570837196 /nfs/dbraw/zinc/83/71/96/570837196.db2.gz DZBAVHFNHCGLIS-KRWDZBQOSA-N 0 2 399.451 3.153 10 0 GGAELN CCn1c(=O)c2ccc(C(=O)N[C@@H](C)c3ccc(F)c(F)c3)cc2[nH]c1=S ZINC000102173343 570842531 /nfs/dbraw/zinc/84/25/31/570842531.db2.gz DPUHVPSUBYQJBU-JTQLQIEISA-N 0 2 389.427 3.474 10 0 GGAELN Cc1ccc(C(=O)Nc2ccccc2SCc2cc(=O)n3nc[nH]c3n2)cc1 ZINC000102621474 570854465 /nfs/dbraw/zinc/85/44/65/570854465.db2.gz CHCOZSSODHENLJ-UHFFFAOYSA-N 0 2 391.456 3.271 10 0 GGAELN CCOc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2N2CCC2)cc1 ZINC000032899469 570895289 /nfs/dbraw/zinc/89/52/89/570895289.db2.gz UHJYBUXINLLCKJ-UHFFFAOYSA-N 0 2 384.461 3.039 10 0 GGAELN Cc1ccc(N(Cc2nn3c(nc(C)cc3=O)[nH]2)C(=O)c2ccc(F)cc2)cc1 ZINC000101583210 570901140 /nfs/dbraw/zinc/90/11/40/570901140.db2.gz BOOKBOFIBUDBOO-UHFFFAOYSA-N 0 2 391.406 3.021 10 0 GGAELN COc1cc(NS(=O)(=O)c2c(C)nn(-c3ccccc3)c2C)cc(OC)c1 ZINC000014255964 570904591 /nfs/dbraw/zinc/90/45/91/570904591.db2.gz RDCZCAYRRGPFLN-UHFFFAOYSA-N 0 2 387.461 3.307 10 0 GGAELN Cc1ccc(S(=O)(=O)Nc2nc(CC(=O)N3CCC[C@@H](C)C3)cs2)cc1 ZINC000017051032 570925485 /nfs/dbraw/zinc/92/54/85/570925485.db2.gz OPIWVPBHRGVWCY-CQSZACIVSA-N 0 2 393.534 3.053 10 0 GGAELN CCOCCCNC(=O)CCn1c(=O)c2sc3ccccc3c2[nH]c1=S ZINC000004793243 570992906 /nfs/dbraw/zinc/99/29/06/570992906.db2.gz NSQHPYSVMDBOMF-UHFFFAOYSA-N 0 2 391.518 3.207 10 0 GGAELN Cn1cc[nH+]c1[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000725240677 570994553 /nfs/dbraw/zinc/99/45/53/570994553.db2.gz VCGAXAOTTMWEFD-GOSISDBHSA-N 0 2 377.400 3.085 10 0 GGAELN O=C([O-])[C@@H]1CN(C(=O)OCC2c3ccccc3-c3ccccc32)Cc2[nH]c[nH+]c21 ZINC000725241282 570997177 /nfs/dbraw/zinc/99/71/77/570997177.db2.gz CRHMBNGFYZIHAO-QGZVFWFLSA-N 0 2 389.411 3.343 10 0 GGAELN CC(=O)N1CCCSc2ccc(S(=O)(=O)Nc3cccc(C)n3)cc21 ZINC000035504559 642507273 /nfs/dbraw/zinc/50/72/73/642507273.db2.gz UVRJJLGLAWZFPN-UHFFFAOYSA-N 0 2 377.491 3.040 10 0 GGAELN Cc1cc(C(=O)Nc2nc(-c3ccc(Br)cc3F)n[nH]2)nc(C)n1 ZINC000543646643 650916981 /nfs/dbraw/zinc/91/69/81/650916981.db2.gz IYMZEIYQNQIGES-UHFFFAOYSA-N 0 2 391.204 3.032 10 0 GGAELN Cc1ccc(C)c2sc(NS(=O)(=O)c3ccccc3S(C)(=O)=O)nc21 ZINC000066249838 654897916 /nfs/dbraw/zinc/89/79/16/654897916.db2.gz LGFYWQRCNHYXDZ-UHFFFAOYSA-N 0 2 396.515 3.117 10 0 GGAELN COc1ccc(NC(=O)CC2SC(N3CCC(C)CC3)=NC2=O)cc1Cl ZINC000055117560 1406889480 /nfs/dbraw/zinc/88/94/80/1406889480.db2.gz HFLGXTTWZRELQG-HNNXBMFYSA-N 0 2 395.912 3.407 10 0 GGAELN CCOCCCn1c(=O)c2ccc(C(=O)NC3CCCCC3)cc2[nH]c1=S ZINC000002972153 1398323109 /nfs/dbraw/zinc/32/31/09/1398323109.db2.gz DDYIBQLWTBKYDB-UHFFFAOYSA-N 0 2 389.521 3.174 10 0 GGAELN C[C@H]1CCCN(C(=O)c2ccc3c(c2)[nH]c(=S)n(C[C@H]2CCCO2)c3=O)C1 ZINC000002970822 1398323623 /nfs/dbraw/zinc/32/36/23/1398323623.db2.gz KVPHJCCKNWYHFM-DZGCQCFKSA-N 0 2 387.505 3.110 10 0 GGAELN COc1cc2c(cc1OC)[C@H](CC(=O)[O-])[N@H+](CC(=O)Nc1ccc(C)cc1)CC2 ZINC000021045976 1399361453 /nfs/dbraw/zinc/36/14/53/1399361453.db2.gz MZVFZAZYDCHUFF-SFHVURJKSA-N 0 2 398.459 3.025 10 0 GGAELN COc1cc2c(cc1OC)[C@H](CC(=O)[O-])[N@@H+](CC(=O)Nc1ccc(C)cc1)CC2 ZINC000021045976 1399361455 /nfs/dbraw/zinc/36/14/55/1399361455.db2.gz MZVFZAZYDCHUFF-SFHVURJKSA-N 0 2 398.459 3.025 10 0 GGAELN O=S(=O)([N-]c1ccccc1-n1cc[nH+]c1)c1ccc(Br)s1 ZINC000048798356 1405294031 /nfs/dbraw/zinc/29/40/31/1405294031.db2.gz YBCIEZNTLBALIK-UHFFFAOYSA-N 0 2 384.280 3.497 10 0 GGAELN COc1ccc(C(=O)N(C)C)cc1NS(=O)(=O)c1cccc2ccccc21 ZINC000176640786 1428388187 /nfs/dbraw/zinc/38/81/87/1428388187.db2.gz ZMIBUWSSBWMOAU-UHFFFAOYSA-N 0 2 384.457 3.351 10 0 GGAELN CCn1c(=O)c2ccc(C(=O)NNc3ccc(F)c(F)c3F)cc2[nH]c1=S ZINC000068485956 1409416912 /nfs/dbraw/zinc/41/69/12/1409416912.db2.gz AHKPCFFSRSUGMR-UHFFFAOYSA-N 0 2 394.378 3.253 10 0 GGAELN O=S(=O)(Nc1ccc(I)cc1)c1cnccc1Cl ZINC000071203520 1409823043 /nfs/dbraw/zinc/82/30/43/1409823043.db2.gz BDZCKDVYBZKZSM-UHFFFAOYSA-N 0 2 394.621 3.140 10 0 GGAELN O=S(=O)(Nc1nnc(-c2ccccn2)s1)c1ccccc1-c1ccno1 ZINC000095995774 1410319619 /nfs/dbraw/zinc/31/96/19/1410319619.db2.gz OAWCVMKJLMIIQJ-UHFFFAOYSA-N 0 2 385.430 3.056 10 0 GGAELN O=S(=O)(Nc1cnn(C2CCOCC2)c1)c1cccc(C(F)(F)F)c1 ZINC000096384323 1410329803 /nfs/dbraw/zinc/32/98/03/1410329803.db2.gz BKXDGWNUPHESFB-UHFFFAOYSA-N 0 2 375.372 3.054 10 0 GGAELN O=C(Nc1ccc(NS(=O)(=O)c2c[nH]c3ncccc23)cn1)c1ccccc1 ZINC000097009964 1410345400 /nfs/dbraw/zinc/34/54/00/1410345400.db2.gz VNLKWTRTDBDJSY-UHFFFAOYSA-N 0 2 393.428 3.011 10 0 GGAELN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000115983802 1412819704 /nfs/dbraw/zinc/81/97/04/1412819704.db2.gz HNMXTSOZQAJOGG-VHSXEESVSA-N 0 2 375.400 3.025 10 0 GGAELN Cn1nc(C2CCC2)cc1NS(=O)(=O)c1ccc(F)cc1Br ZINC000128775552 1416065721 /nfs/dbraw/zinc/06/57/21/1416065721.db2.gz RGPBKDVHPJTZND-UHFFFAOYSA-N 0 2 388.262 3.390 10 0 GGAELN CN(C[C@H]1CCCO[C@H]1c1ccccc1)C(=O)c1cccc(Nc2nn[nH]n2)c1 ZINC000900445062 1429104961 /nfs/dbraw/zinc/10/49/61/1429104961.db2.gz AZLHUUWEAFNFJQ-MJGOQNOKSA-N 0 2 392.463 3.183 10 0 GGAELN O=C(NCCOc1ccc(Cl)c(Cl)c1)c1cccc(Nc2nn[nH]n2)c1 ZINC001141532294 1429150037 /nfs/dbraw/zinc/15/00/37/1429150037.db2.gz BZJKENAYXDNCRV-UHFFFAOYSA-N 0 2 393.234 3.059 10 0 GGAELN COc1ccc([C@H]2CCCCCN2C(=O)c2c[nH]c3c(cnn3C)c2=O)cc1 ZINC000179400093 1429359925 /nfs/dbraw/zinc/35/99/25/1429359925.db2.gz KKLICTFCRUQBMN-GOSISDBHSA-N 0 2 380.448 3.440 10 0 GGAELN CN(C(=O)c1cccc(Nc2nn[nH]n2)c1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000907363463 1429433792 /nfs/dbraw/zinc/43/37/92/1429433792.db2.gz PNRPFMLVSQZNGO-ROUUACIJSA-N 0 2 396.426 3.075 10 0 GGAELN CC[C@@H](NC(=O)c1cccc(Nc2nn[nH]n2)c1)c1ccccc1OC(F)F ZINC001141540318 1423258686 /nfs/dbraw/zinc/25/86/86/1423258686.db2.gz JJIMACRPLOGXMY-CQSZACIVSA-N 0 2 388.378 3.426 10 0 GGAELN COc1cc(F)cc(NS(=O)(=O)c2cc(Br)ccc2OC)c1 ZINC000161247348 1424669842 /nfs/dbraw/zinc/66/98/42/1424669842.db2.gz VBOJUYMFOMDOHV-UHFFFAOYSA-N 0 2 390.230 3.406 10 0 GGAELN COc1cc(NS(=O)(=O)c2cnccc2Cl)ccc1Br ZINC000169042070 1425242307 /nfs/dbraw/zinc/24/23/07/1425242307.db2.gz VXNAQIVJXNVZSQ-UHFFFAOYSA-N 0 2 377.647 3.307 10 0 GGAELN CC1(C)CO[C@@H](c2cccc(F)c2)CN1C(=O)c1cccc(Nc2nn[nH]n2)c1 ZINC000912511880 1425557190 /nfs/dbraw/zinc/55/71/90/1425557190.db2.gz WECDMUMUDSRXGU-QGZVFWFLSA-N 0 2 396.426 3.075 10 0 GGAELN COC(=O)c1sccc1S(=O)(=O)Nc1cc(-c2ccccc2C)nn1C ZINC000174011469 1426942570 /nfs/dbraw/zinc/94/25/70/1426942570.db2.gz WZDKXNPIVGTNTM-UHFFFAOYSA-N 0 2 391.474 3.044 10 0 GGAELN CC[C@@H](C)[C@H](NC(=O)c1cccc(Nc2nn[nH]n2)c1)c1nc2ccccc2[nH]1 ZINC001136294626 1427051661 /nfs/dbraw/zinc/05/16/61/1427051661.db2.gz HLBKYDQLVNTXMZ-PXAZEXFGSA-N 0 2 390.451 3.337 10 0 GGAELN Cc1ccc(F)c(-c2cc(NC(=O)c3cccc(Nc4nn[nH]n4)c3)n[nH]2)c1 ZINC001141828797 1427075875 /nfs/dbraw/zinc/07/58/75/1427075875.db2.gz MJJQNKXZCTZEFF-UHFFFAOYSA-N 0 2 378.371 3.033 10 0 GGAELN CN(C[C@@H]1CCCO[C@@H]1c1ccccc1)C(=O)c1cccc(Nc2nn[nH]n2)c1 ZINC000900445064 1427409662 /nfs/dbraw/zinc/40/96/62/1427409662.db2.gz AZLHUUWEAFNFJQ-PKOBYXMFSA-N 0 2 392.463 3.183 10 0 GGAELN O=C(c1cccc(Nc2nn[nH]n2)c1)N(Cc1ccc(F)cc1)CC(F)(F)F ZINC001147164573 1427950559 /nfs/dbraw/zinc/95/05/59/1427950559.db2.gz ZLIHGFODXBCZIT-UHFFFAOYSA-N 0 2 394.332 3.287 10 0 GGAELN O=C(Nc1cnn(-c2ccccc2)c1C(F)F)c1cccc(Nc2nn[nH]n2)c1 ZINC001144162412 1430104748 /nfs/dbraw/zinc/10/47/48/1430104748.db2.gz LMIPMXCZVDJBTA-UHFFFAOYSA-N 0 2 396.361 3.319 10 0 GGAELN COc1cc(S(=O)(=O)Nc2cc(C)nn2-c2ccc(F)cc2)ccc1F ZINC000190978425 1432542021 /nfs/dbraw/zinc/54/20/21/1432542021.db2.gz WDFHUJXXCAFYFT-UHFFFAOYSA-N 0 2 379.388 3.268 10 0 GGAELN CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)C2=NN(c3ccc(Cl)cc3)CC2=O)C1 ZINC000194275210 1433153758 /nfs/dbraw/zinc/15/37/58/1433153758.db2.gz FPWMCYAFNHTNKI-MSLNHDOUSA-N 0 2 395.912 3.041 10 0 GGAELN O=C(C1=NN(c2ccc(Cl)cc2)CC1=O)N1CCN(c2cccs2)CC1 ZINC000194307934 1433159204 /nfs/dbraw/zinc/15/92/04/1433159204.db2.gz HKWNNFKSNUIJMC-UHFFFAOYSA-N 0 2 388.880 3.255 10 0 GGAELN O=C(C1=NN(c2ccc(Cl)cc2)CC1=O)N1CCC(O)(c2ccccc2)CC1 ZINC000194499014 1433187981 /nfs/dbraw/zinc/18/79/81/1433187981.db2.gz HFDFQIHELNHEKB-UHFFFAOYSA-N 0 2 397.862 3.355 10 0 GGAELN Cn1nc(CCNC(=O)C2=NN(c3ccc(Cl)cc3)CC2=O)c2ccccc21 ZINC000194509603 1433189984 /nfs/dbraw/zinc/18/99/84/1433189984.db2.gz AHFMCCIYEHXVPI-UHFFFAOYSA-N 0 2 395.850 3.091 10 0 GGAELN COC(=O)c1sccc1S(=O)(=O)Nc1ccc(Cc2ccncc2)cc1 ZINC000194540400 1433194679 /nfs/dbraw/zinc/19/46/79/1433194679.db2.gz SCCALANEKRTWBW-UHFFFAOYSA-N 0 2 388.470 3.321 10 0 GGAELN Cc1cc(NS(=O)(=O)c2cnc(Cl)nc2)cc(C)c1Br ZINC000232032058 1433373259 /nfs/dbraw/zinc/37/32/59/1433373259.db2.gz SWAXZLZWBPMSIJ-UHFFFAOYSA-N 0 2 376.663 3.310 10 0 GGAELN O=C(C1=NN(c2ccc(Cl)cc2)CC1=O)N1CCCCC[C@@H]1c1ncon1 ZINC000279686507 1435529729 /nfs/dbraw/zinc/52/97/29/1435529729.db2.gz HZKJBWKSPWHUSA-CQSZACIVSA-N 0 2 387.827 3.372 10 0 GGAELN O=C(NCCc1ccc(Cl)cc1Cl)c1cccc(Nc2nn[nH]n2)c1 ZINC001135497609 1442117074 /nfs/dbraw/zinc/11/70/74/1442117074.db2.gz KXTHNSOHZUSNSD-UHFFFAOYSA-N 0 2 377.235 3.223 10 0 GGAELN Cc1nc(-c2ccc(NC(=O)c3cccc(Nc4nn[nH]n4)c3)cc2)oc1C ZINC001136350056 1446953469 /nfs/dbraw/zinc/95/34/69/1446953469.db2.gz WUKIRXWNIJFOOT-UHFFFAOYSA-N 0 2 375.392 3.467 10 0 GGAELN COc1ccc([C@H]2CCCN2C(=O)c2cccc(Nc3nn[nH]n3)c2)cc1F ZINC000912460388 1447200419 /nfs/dbraw/zinc/20/04/19/1447200419.db2.gz CCQLPMGWKWOBEV-MRXNPFEDSA-N 0 2 382.399 3.068 10 0 GGAELN CC[C@H](C)[C@@H](NC(=O)c1cccc(Nc2nn[nH]n2)c1)c1nc2ccccc2[nH]1 ZINC001136294629 1449433290 /nfs/dbraw/zinc/43/32/90/1449433290.db2.gz HLBKYDQLVNTXMZ-YVEFUNNKSA-N 0 2 390.451 3.337 10 0 GGAELN C[C@@H]1SCCN(C(=O)c2cccc(Nc3nn[nH]n3)c2)[C@@H]1c1ccccc1 ZINC001146709023 1449857148 /nfs/dbraw/zinc/85/71/48/1449857148.db2.gz IQQLGSXNXWBMRY-GUYCJALGSA-N 0 2 380.477 3.262 10 0 GGAELN O=C(Nc1n[nH]cc1-c1ccc(Cl)cc1)c1cccc(Nc2nn[nH]n2)c1 ZINC001148034417 1450355391 /nfs/dbraw/zinc/35/53/91/1450355391.db2.gz CPFWGPJEHQRCRM-UHFFFAOYSA-N 0 2 380.799 3.239 10 0 GGAELN O=C([O-])C1(NC(=O)N[C@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)CCCCC1 ZINC000780570722 939134555 /nfs/dbraw/zinc/13/45/55/939134555.db2.gz JXNMZNZCDBPYJO-AWEZNQCLSA-N 0 2 395.450 3.016 10 0 GGAELN O=C([O-])C1(NC(=O)N[C@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)CCCCC1 ZINC000780570722 939134556 /nfs/dbraw/zinc/13/45/56/939134556.db2.gz JXNMZNZCDBPYJO-AWEZNQCLSA-N 0 2 395.450 3.016 10 0 GGAELN C[C@](NC(=O)Cc1cn2c([nH+]1)CCCC2)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000652071474 939835608 /nfs/dbraw/zinc/83/56/08/939835608.db2.gz XPMDZUHDRZCAAZ-GOSISDBHSA-N 0 2 396.274 3.185 10 0 GGAELN C[N@@H+]1CC[C@H](NC(=O)[C@@H](C(=O)[O-])C2CCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000663044532 939851038 /nfs/dbraw/zinc/85/10/38/939851038.db2.gz AQDOJYKCWFWCTN-YESZJQIVSA-N 0 2 382.863 3.232 10 0 GGAELN C[N@H+]1CC[C@H](NC(=O)[C@@H](C(=O)[O-])C2CCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000663044532 939851039 /nfs/dbraw/zinc/85/10/39/939851039.db2.gz AQDOJYKCWFWCTN-YESZJQIVSA-N 0 2 382.863 3.232 10 0 GGAELN C[N@@H+]1CC[C@H](NC(=O)[C@@H](C(=O)[O-])C2CCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000663044531 939851064 /nfs/dbraw/zinc/85/10/64/939851064.db2.gz AQDOJYKCWFWCTN-ULQDDVLXSA-N 0 2 382.863 3.232 10 0 GGAELN C[N@H+]1CC[C@H](NC(=O)[C@@H](C(=O)[O-])C2CCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000663044531 939851065 /nfs/dbraw/zinc/85/10/65/939851065.db2.gz AQDOJYKCWFWCTN-ULQDDVLXSA-N 0 2 382.863 3.232 10 0 GGAELN CC(=O)N1CCCSc2ccc(S(=O)(=O)Nc3cc(C)ccn3)cc21 ZINC000064952056 531871841 /nfs/dbraw/zinc/87/18/41/531871841.db2.gz RUAMEVDOZVMKMY-UHFFFAOYSA-N 0 2 377.491 3.040 10 0 GGAELN Cc1n[nH]c(=NC(=O)c2ccccc2I)c2ccccc12 ZINC000328589852 206230020 /nfs/dbraw/zinc/23/00/20/206230020.db2.gz FJJYRRZXDWJFOK-UHFFFAOYSA-N 0 2 389.196 3.217 10 0 GGAELN COc1ccc(-c2nc(CCNC(=O)c3cc(F)c(F)c(O)c3F)co2)cc1 ZINC000359973089 206275445 /nfs/dbraw/zinc/27/54/45/206275445.db2.gz IHOJBRHRRBKZSG-UHFFFAOYSA-N 0 2 392.333 3.446 10 0 GGAELN CC(C)S(=O)(=O)c1cscc1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000001037608 206344715 /nfs/dbraw/zinc/34/47/15/206344715.db2.gz ZYCATFYEHJNQNH-UHFFFAOYSA-N 0 2 379.912 3.384 10 0 GGAELN COc1ccc(NS(=O)(=O)c2c(C)nn(-c3ccccc3)c2C)cc1OC ZINC000014222990 207016198 /nfs/dbraw/zinc/01/61/98/207016198.db2.gz VKWAOMKXZWMVRY-UHFFFAOYSA-N 0 2 387.461 3.307 10 0 GGAELN C[C@@H](Oc1ccccc1)C(=O)Nc1ccc2nc(NS(C)(=O)=O)sc2c1 ZINC000015862005 207065282 /nfs/dbraw/zinc/06/52/82/207065282.db2.gz WVLMJDJQBGNJOJ-LLVKDONJSA-N 0 2 391.474 3.074 10 0 GGAELN Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)s1 ZINC000020574706 207204000 /nfs/dbraw/zinc/20/40/00/207204000.db2.gz QRMAPIMUTDBPCU-UHFFFAOYSA-N 0 2 381.866 3.261 10 0 GGAELN CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)Nc1cc(Cl)ccc1OC ZINC000020574924 207204042 /nfs/dbraw/zinc/20/40/42/207204042.db2.gz LXMHERZLFGMWQT-UHFFFAOYSA-N 0 2 386.857 3.271 10 0 GGAELN COC(=O)c1cc(Nc2nc(-c3ccc(OC)cc3)no2)cc(C(=O)OC)c1 ZINC000021158358 207227248 /nfs/dbraw/zinc/22/72/48/207227248.db2.gz QAVPEEBTGZVXIZ-UHFFFAOYSA-N 0 2 383.360 3.062 10 0 GGAELN C[C@]1(c2ccco2)NC(=O)N(NC(=O)c2sc3ccccc3c2Cl)C1=O ZINC000021554012 207232468 /nfs/dbraw/zinc/23/24/68/207232468.db2.gz GAIWUHGBUHJJQA-QGZVFWFLSA-N 0 2 389.820 3.260 10 0 GGAELN CCOc1cccc(-c2nnc(CCC(=O)N[C@H](C)c3ccccc3)c(=O)[nH]2)c1 ZINC000034764759 207475000 /nfs/dbraw/zinc/47/50/00/207475000.db2.gz TXKOXTURSDPYHZ-OAHLLOKOSA-N 0 2 392.459 3.453 10 0 GGAELN CC(C)c1cccc(NS(=O)(=O)c2cc(-c3ccc(=O)n(C)n3)cs2)c1 ZINC000065129105 207836391 /nfs/dbraw/zinc/83/63/91/207836391.db2.gz SNMWFBDDYZILPH-UHFFFAOYSA-N 0 2 389.502 3.433 10 0 GGAELN CC(C)[C@]1(c2ccc(-c3ccc4cccc(F)c4c3)[nH]c2=O)OC(=O)NC1=O ZINC000083259868 208085767 /nfs/dbraw/zinc/08/57/67/208085767.db2.gz HBIUBRAEDHJWRD-OAQYLSRUSA-N 0 2 380.375 3.452 10 0 GGAELN COCc1csc(NS(=O)(=O)c2cc(F)c(Br)cc2F)n1 ZINC000095976388 208248803 /nfs/dbraw/zinc/24/88/03/208248803.db2.gz QFCFSZVCZZYSGN-UHFFFAOYSA-N 0 2 399.238 3.131 10 0 GGAELN CCOc1ccccc1NS(=O)(=O)c1c(C)[nH]c(C)c1-c1nc(CC)no1 ZINC000096379801 208312348 /nfs/dbraw/zinc/31/23/48/208312348.db2.gz RTFLGOVLVNUYPO-UHFFFAOYSA-N 0 2 390.465 3.443 10 0 GGAELN Cc1[nH]n(-c2nc(-c3ccc(Cl)cc3)cs2)c(=O)c1CC(=O)N(C)C ZINC000101831458 208397826 /nfs/dbraw/zinc/39/78/26/208397826.db2.gz NCUOZECHXGULHP-UHFFFAOYSA-N 0 2 376.869 3.294 10 0 GGAELN COCCn1c(=O)c2ccc(C(=O)N[C@@H]3CCCC[C@H]3C)cc2[nH]c1=S ZINC000003043554 208506918 /nfs/dbraw/zinc/50/69/18/208506918.db2.gz FTTACITXMGIRKE-IUODEOHRSA-N 0 2 375.494 3.014 10 0 GGAELN Cc1n[nH]c(-n2cnnc2)c1NS(=O)(=O)c1ccc(C2CCCCC2)cc1 ZINC000013365471 221266870 /nfs/dbraw/zinc/26/68/70/221266870.db2.gz KVCVZAFTKJYXIT-UHFFFAOYSA-N 0 2 386.481 3.147 10 0 GGAELN Cc1ccc(-n2c(O)c3sc4nc(CC(C)C)ccc4c(N)c-3c2=O)cc1 ZINC000261526810 209082671 /nfs/dbraw/zinc/08/26/71/209082671.db2.gz LZDJLQYLWFSOAU-GOSISDBHSA-N 0 2 379.485 3.306 10 0 GGAELN Cc1ccc(-n2c(O)c3sc4nc(CC(C)C)ccc4c(N)c-3c2=O)cc1 ZINC000261526811 209082732 /nfs/dbraw/zinc/08/27/32/209082732.db2.gz LZDJLQYLWFSOAU-SFHVURJKSA-N 0 2 379.485 3.306 10 0 GGAELN CCOc1ccc(-n2c(O)c3sc4nc(C5CC5)ccc4c(N)c-3c2=O)cc1 ZINC000261526809 209082840 /nfs/dbraw/zinc/08/28/40/209082840.db2.gz LSGFBBHDYWJXTJ-SFHVURJKSA-N 0 2 393.468 3.075 10 0 GGAELN Cc1cn2c(nc(C(C)C)c2S(=O)(=O)Nc2ccc3c(c2)OCCO3)s1 ZINC000065183521 222106844 /nfs/dbraw/zinc/10/68/44/222106844.db2.gz HELYCTOGKVESMS-UHFFFAOYSA-N 0 2 393.490 3.400 10 0 GGAELN Cc1nn2c(nc(C)c2S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)s1 ZINC000065183633 222106858 /nfs/dbraw/zinc/10/68/58/222106858.db2.gz HDSAYSPBTQRDEN-UHFFFAOYSA-N 0 2 376.385 3.227 10 0 GGAELN CC(=O)c1cccc(NS(=O)(=O)c2c(C)nc3sc(C(C)C)nn32)c1 ZINC000065183856 222107740 /nfs/dbraw/zinc/10/77/40/222107740.db2.gz DUMRNKPCXRGXBQ-UHFFFAOYSA-N 0 2 378.479 3.226 10 0 GGAELN COCc1csc(NS(=O)(=O)c2ccc(C)cc2Br)n1 ZINC000115928439 564200920 /nfs/dbraw/zinc/20/09/20/564200920.db2.gz WFAWRDXVJTVYNM-UHFFFAOYSA-N 0 2 377.285 3.161 10 0 GGAELN O=C(c1cccc(NS(=O)(=O)c2cccs2)c1)N1CCCSCC1 ZINC000115717380 564198396 /nfs/dbraw/zinc/19/83/96/564198396.db2.gz ONYPXHCMHHDDPS-UHFFFAOYSA-N 0 2 382.532 3.128 10 0 GGAELN COCc1csc(NS(=O)(=O)c2ccc(Br)c(C)c2)n1 ZINC000115928460 564201173 /nfs/dbraw/zinc/20/11/73/564201173.db2.gz MTSOGCFRCSVYBC-UHFFFAOYSA-N 0 2 377.285 3.161 10 0 GGAELN O=S(=O)(Nc1cccc(-c2nc[nH]n2)c1)c1cc(Br)ccc1F ZINC000117739759 564231158 /nfs/dbraw/zinc/23/11/58/564231158.db2.gz VQAONIQWVGPUGZ-UHFFFAOYSA-N 0 2 397.229 3.174 10 0 GGAELN O=C(NCc1ccco1)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1O ZINC000117982162 564235086 /nfs/dbraw/zinc/23/50/86/564235086.db2.gz XHPZLCSVOHIAFC-CYBMUJFWSA-N 0 2 383.231 3.213 10 0 GGAELN COC(=O)c1c(C)c(C)sc1NC(=O)CSc1n[nH]c(C(C)(C)C)n1 ZINC000012255961 564267159 /nfs/dbraw/zinc/26/71/59/564267159.db2.gz DYHGMVUKDMJRHD-UHFFFAOYSA-N 0 2 382.511 3.298 10 0 GGAELN C[C@@H]1CC[C@H](C)N(C(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)C1 ZINC000120099222 564305187 /nfs/dbraw/zinc/30/51/87/564305187.db2.gz DTNCYIDZEUTAGY-OLZOCXBDSA-N 0 2 379.507 3.205 10 0 GGAELN CCc1cc(NC(=O)c2cccc(NS(=O)(=O)c3cccs3)c2)n[nH]1 ZINC000120745571 564334661 /nfs/dbraw/zinc/33/46/61/564334661.db2.gz XMSOBCSHCXRARD-UHFFFAOYSA-N 0 2 376.463 3.087 10 0 GGAELN CCc1noc(C)c1NC(=O)c1sccc1S(=O)(=O)N1CCCCC1 ZINC000121088006 564352155 /nfs/dbraw/zinc/35/21/55/564352155.db2.gz ZWZILXDUMUOEPO-UHFFFAOYSA-N 0 2 383.495 3.034 10 0 GGAELN Cc1cc(S(=O)(=O)Nc2ccnn2Cc2ccccn2)c(Cl)cc1F ZINC000121281274 564363007 /nfs/dbraw/zinc/36/30/07/564363007.db2.gz QLQCRZOTHZUQNZ-UHFFFAOYSA-N 0 2 380.832 3.228 10 0 GGAELN CC[C@H](C)NC(=O)C1(c2ccc(NS(=O)(=O)c3cccs3)cc2)CC1 ZINC000033115365 564410619 /nfs/dbraw/zinc/41/06/19/564410619.db2.gz DMMAGOPTDBVIJG-ZDUSSCGKSA-N 0 2 378.519 3.495 10 0 GGAELN COc1ccc(Br)cc1S(=O)(=O)Nc1nc(C(C)C)cs1 ZINC000042306174 564445418 /nfs/dbraw/zinc/44/54/18/564445418.db2.gz BWZZHXFQMKXCLU-UHFFFAOYSA-N 0 2 391.312 3.260 10 0 GGAELN Cc1ccc(NS(=O)(=O)c2ccccc2S(C)(=O)=O)cc1C(F)(F)F ZINC000042675221 564448560 /nfs/dbraw/zinc/44/85/60/564448560.db2.gz ITLAMRMEAGZSQW-UHFFFAOYSA-N 0 2 393.408 3.218 10 0 GGAELN CS(=O)(=O)c1ccccc1S(=O)(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000042665515 564448773 /nfs/dbraw/zinc/44/87/73/564448773.db2.gz DNPPBACTMLTJAZ-UHFFFAOYSA-N 0 2 380.274 3.198 10 0 GGAELN CS(=O)(=O)c1ccccc1S(=O)(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000042665652 564449234 /nfs/dbraw/zinc/44/92/34/564449234.db2.gz ORAFQLOVYLZTJX-UHFFFAOYSA-N 0 2 380.274 3.198 10 0 GGAELN CCS(=O)(=O)c1ccc(S(=O)(=O)Nc2nc3ccc(C)cc3s2)cc1 ZINC000125754260 564525892 /nfs/dbraw/zinc/52/58/92/564525892.db2.gz GFHJWTGERHJGNF-UHFFFAOYSA-N 0 2 396.515 3.199 10 0 GGAELN CC(C)c1csc(NS(=O)(=O)c2ccc(F)cc2Br)n1 ZINC000048444337 564540308 /nfs/dbraw/zinc/54/03/08/564540308.db2.gz NPILNWWUHGGTNI-UHFFFAOYSA-N 0 2 379.276 3.391 10 0 GGAELN Cc1nc(NS(=O)(=O)c2cc(F)ccc2Br)cc(C2CC2)n1 ZINC000127459467 564584718 /nfs/dbraw/zinc/58/47/18/564584718.db2.gz LVGFOSPMWJXPFU-UHFFFAOYSA-N 0 2 386.246 3.365 10 0 GGAELN O=C(c1ccc(Cl)c(Cl)c1O)N1CCOC[C@H]1C[C@H](O)c1ccco1 ZINC000127511288 564586449 /nfs/dbraw/zinc/58/64/49/564586449.db2.gz HOHXWTCFTCXDJQ-MFKMUULPSA-N 0 2 386.231 3.257 10 0 GGAELN COCc1csc(NS(=O)(=O)c2cc(Br)sc2C)n1 ZINC000128192728 564610779 /nfs/dbraw/zinc/61/07/79/564610779.db2.gz NPMDNCMAZYKJFG-UHFFFAOYSA-N 0 2 383.314 3.223 10 0 GGAELN CCc1ccc(S(=O)(=O)Nc2ccccc2Sc2nncn2C)s1 ZINC000055579391 564624101 /nfs/dbraw/zinc/62/41/01/564624101.db2.gz AARCDIUEHMVEBE-UHFFFAOYSA-N 0 2 380.520 3.391 10 0 GGAELN COCCc1cc(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)n(C)n1 ZINC000129663641 564655837 /nfs/dbraw/zinc/65/58/37/564655837.db2.gz BGGGWPXNBPCGMG-UHFFFAOYSA-N 0 2 397.806 3.082 10 0 GGAELN COCCc1cc(NS(=O)(=O)c2ccc(Cl)c3ccccc32)n(C)n1 ZINC000129665197 564655909 /nfs/dbraw/zinc/65/59/09/564655909.db2.gz FKYIDHRTIPGSCY-UHFFFAOYSA-N 0 2 379.869 3.216 10 0 GGAELN O=S(=O)(Nc1noc(-c2cccs2)n1)c1ccc(C(F)(F)F)nc1 ZINC000130350946 564678536 /nfs/dbraw/zinc/67/85/36/564678536.db2.gz SAJYJORZXPXGHY-UHFFFAOYSA-N 0 2 376.341 3.013 10 0 GGAELN CC(C)Oc1ccc(NS(=O)(=O)c2cnn([C@@H]3CCOC3)c2)cc1Cl ZINC000131887084 564726954 /nfs/dbraw/zinc/72/69/54/564726954.db2.gz PZNLSIUHAWQJDW-CYBMUJFWSA-N 0 2 385.873 3.086 10 0 GGAELN Cc1cc(C)cc(NS(=O)(=O)c2ccc(CC(=O)N3CCCC3)s2)c1 ZINC000064919630 564736472 /nfs/dbraw/zinc/73/64/72/564736472.db2.gz JGOFCBXEHZPAKV-UHFFFAOYSA-N 0 2 378.519 3.331 10 0 GGAELN CN(C[C@@H](O)COCc1ccccc1)C(=O)c1ccc(Cl)c(Cl)c1O ZINC000132232921 564737808 /nfs/dbraw/zinc/73/78/08/564737808.db2.gz JRQWZMBCQSWLNJ-CYBMUJFWSA-N 0 2 384.259 3.349 10 0 GGAELN CCc1cccc(C)c1NS(=O)(=O)c1cc(-c2ccc(=O)[nH]n2)cs1 ZINC000065119370 564740268 /nfs/dbraw/zinc/74/02/68/564740268.db2.gz BVUDVAYWYUMKLZ-UHFFFAOYSA-N 0 2 375.475 3.170 10 0 GGAELN CCC(=O)N1CCc2sc(S(=O)(=O)Nc3cccc(Cl)c3)cc2C1 ZINC000065196148 564740469 /nfs/dbraw/zinc/74/04/69/564740469.db2.gz ZVALERCSWAUNOP-UHFFFAOYSA-N 0 2 384.910 3.497 10 0 GGAELN Cn1nc(-c2csc(S(=O)(=O)Nc3ccc(F)c(Cl)c3)c2)ccc1=O ZINC000065128942 564740620 /nfs/dbraw/zinc/74/06/20/564740620.db2.gz MKXFPLNLLRUASB-UHFFFAOYSA-N 0 2 399.856 3.102 10 0 GGAELN Cc1ccccc1NS(=O)(=O)c1cc2c(s1)CCN(C(=O)C1CC1)C2 ZINC000065196225 564740698 /nfs/dbraw/zinc/74/06/98/564740698.db2.gz XREBBBRYHPRIQX-UHFFFAOYSA-N 0 2 376.503 3.152 10 0 GGAELN CCn1nc(-c2csc(S(=O)(=O)Nc3ccccc3C)c2)ccc1=O ZINC000065129035 564740810 /nfs/dbraw/zinc/74/08/10/564740810.db2.gz QCKFFKJXJKYJNW-UHFFFAOYSA-N 0 2 375.475 3.101 10 0 GGAELN O=C(NCc1cc2c(c(Br)c1)OCO2)c1c(O)cc(F)cc1F ZINC000066054079 564754675 /nfs/dbraw/zinc/75/46/75/564754675.db2.gz VYBJOQCCIABQNS-UHFFFAOYSA-N 0 2 386.148 3.092 10 0 GGAELN COC(=O)c1cccc(Cc2cnc(NS(=O)(=O)c3cccs3)s2)c1 ZINC000066255046 564760172 /nfs/dbraw/zinc/76/01/72/564760172.db2.gz XAJGBTTUQHFWNK-UHFFFAOYSA-N 0 2 394.499 3.383 10 0 GGAELN Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000134667373 564811942 /nfs/dbraw/zinc/81/19/42/564811942.db2.gz FLMZXSFWJMHSRU-UHFFFAOYSA-N 0 2 382.247 3.491 10 0 GGAELN COC(=O)c1ccc(S(=O)(=O)Nc2cc(-c3cccs3)[nH]n2)cc1Cl ZINC000137178790 564859247 /nfs/dbraw/zinc/85/92/47/564859247.db2.gz OITNVIGJMYUUGF-UHFFFAOYSA-N 0 2 397.865 3.379 10 0 GGAELN COC(=O)c1ccc(S(=O)(=O)Nc2cc(CC(C)(C)C)n[nH]2)cc1Cl ZINC000137191406 564859537 /nfs/dbraw/zinc/85/95/37/564859537.db2.gz ZTSNZQOWVVCGCP-UHFFFAOYSA-N 0 2 385.873 3.239 10 0 GGAELN COC(=O)c1ccccc1NS(=O)(=O)c1ccccc1OC(F)(F)F ZINC000142050734 564874322 /nfs/dbraw/zinc/87/43/22/564874322.db2.gz BCHUTDPPYDLJIF-UHFFFAOYSA-N 0 2 375.324 3.173 10 0 GGAELN COC(=O)c1ccc(S(=O)(=O)Nc2nc3c(ccc(F)c3C)s2)cc1 ZINC000150978067 564900308 /nfs/dbraw/zinc/90/03/08/564900308.db2.gz YWCQNLDLPZIGPC-UHFFFAOYSA-N 0 2 380.422 3.331 10 0 GGAELN Cc1ccc(CC(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)s1 ZINC000098094780 564912351 /nfs/dbraw/zinc/91/23/51/564912351.db2.gz WFPKJVDTORRGOO-UHFFFAOYSA-N 0 2 393.515 3.495 10 0 GGAELN COCCOc1ncccc1NS(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000102748452 564933957 /nfs/dbraw/zinc/93/39/57/564933957.db2.gz YXAYRQZQPBPIDN-UHFFFAOYSA-N 0 2 377.249 3.214 10 0 GGAELN COCCOc1ncccc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000102748445 564934350 /nfs/dbraw/zinc/93/43/50/564934350.db2.gz CMXNDJUKLWXZKF-UHFFFAOYSA-N 0 2 377.249 3.214 10 0 GGAELN CC(=O)c1c(C)[nH]c(C(=O)CS(=O)(=O)c2cccc(Br)c2)c1C ZINC000102809418 564936713 /nfs/dbraw/zinc/93/67/13/564936713.db2.gz GGKWNOWLIZBBGZ-UHFFFAOYSA-N 0 2 398.278 3.253 10 0 GGAELN CC1(C)CCCN1C(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1O ZINC000102941870 564939568 /nfs/dbraw/zinc/93/95/68/564939568.db2.gz LMKLFTYLHHAWJY-UHFFFAOYSA-N 0 2 380.491 3.269 10 0 GGAELN COc1cccc(-c2nsc(NS(=O)(=O)c3cc(C)ccc3F)n2)c1 ZINC000152503631 564961584 /nfs/dbraw/zinc/96/15/84/564961584.db2.gz CAGPPYQRCJOERY-UHFFFAOYSA-N 0 2 379.438 3.462 10 0 GGAELN COC(=O)c1ccc(S(=O)(=O)Nc2cc3n[nH]cc3cc2C)c(Cl)c1 ZINC000105388237 564966123 /nfs/dbraw/zinc/96/61/23/564966123.db2.gz IZYFALURRKBRDN-UHFFFAOYSA-N 0 2 379.825 3.112 10 0 GGAELN Cc1ccnc(-n2nccc2NS(=O)(=O)c2cc(C)c(F)cc2Cl)c1 ZINC000152907906 564976475 /nfs/dbraw/zinc/97/64/75/564976475.db2.gz HVBKSXNZROVERL-UHFFFAOYSA-N 0 2 380.832 3.477 10 0 GGAELN CS(=O)(=O)Nc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2O)cc1 ZINC000106456193 564983906 /nfs/dbraw/zinc/98/39/06/564983906.db2.gz DOCWYFPOHOBNQC-UHFFFAOYSA-N 0 2 375.233 3.323 10 0 GGAELN O=C(NCCCS(=O)(=O)c1ccccc1)c1ccc(Cl)c(Cl)c1O ZINC000106911989 564991962 /nfs/dbraw/zinc/99/19/62/564991962.db2.gz KTWRYFUDCMGDAF-UHFFFAOYSA-N 0 2 388.272 3.293 10 0 GGAELN COC(=O)c1coc(S(=O)(=O)N[C@H](c2ccc(Cl)cc2)C(F)(F)F)c1 ZINC000153500568 564997979 /nfs/dbraw/zinc/99/79/79/564997979.db2.gz IRBOZKKHKGSVKT-GFCCVEGCSA-N 0 2 397.758 3.302 10 0 GGAELN CCCn1nccc1NS(=O)(=O)c1c2ccccc2sc1C(=O)OC ZINC000109244959 565023153 /nfs/dbraw/zinc/02/31/53/565023153.db2.gz MXWUSLHKJDKJTH-UHFFFAOYSA-N 0 2 379.463 3.095 10 0 GGAELN COC(=O)c1cc(S(=O)(=O)Nc2ccnn2[C@@H](C)C2CC2)ccc1Cl ZINC000156753323 565103829 /nfs/dbraw/zinc/10/38/29/565103829.db2.gz SXPCHSSVYPHJFG-JTQLQIEISA-N 0 2 383.857 3.095 10 0 GGAELN CC(=O)Nc1ccc(S(=O)(=O)Nc2ccnn2[C@@H](C)C2CC2)cc1Cl ZINC000267226624 565110290 /nfs/dbraw/zinc/11/02/90/565110290.db2.gz VUHVLTUDCKLPCW-JTQLQIEISA-N 0 2 382.873 3.267 10 0 GGAELN O=C(NC1CCN(C(=O)c2cc(F)c(O)c(Cl)c2)CC1)c1ccsc1 ZINC000184317297 565128563 /nfs/dbraw/zinc/12/85/63/565128563.db2.gz ZRKWWPBOLRTPGC-UHFFFAOYSA-N 0 2 382.844 3.281 10 0 GGAELN CCc1noc(C)c1NS(=O)(=O)c1cc(N(C)C)ccc1Br ZINC000157402772 565131318 /nfs/dbraw/zinc/13/13/18/565131318.db2.gz JPDQXKMXOCTKEA-UHFFFAOYSA-N 0 2 388.287 3.175 10 0 GGAELN O=C(c1ccc(Cl)c(Cl)c1O)N1CCS(=O)(=O)C2(CCCCC2)C1 ZINC000267872682 565133627 /nfs/dbraw/zinc/13/36/27/565133627.db2.gz MAIPKXOIPBIHFN-UHFFFAOYSA-N 0 2 392.304 3.273 10 0 GGAELN COC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2ccnn2[C@@H](C)C2CC2)c1 ZINC000157743637 565141925 /nfs/dbraw/zinc/14/19/25/565141925.db2.gz NRJXBPQERJQALH-JTQLQIEISA-N 0 2 383.857 3.095 10 0 GGAELN O=C(c1cc(F)c(F)c(O)c1F)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000184911699 565164642 /nfs/dbraw/zinc/16/46/42/565164642.db2.gz HRJZSXSSFDFODX-UHFFFAOYSA-N 0 2 390.814 3.482 10 0 GGAELN CN1C(=O)C[C@H](C(=O)Nc2cc(Cl)c(O)c(Cl)c2)[C@@H]1c1cccnc1 ZINC000159303215 565201600 /nfs/dbraw/zinc/20/16/00/565201600.db2.gz ONXHGRQSYIGSDA-NHYWBVRUSA-N 0 2 380.231 3.252 10 0 GGAELN CN1C(=O)C[C@H](C(=O)Nc2cc(Cl)c(O)c(Cl)c2)[C@H]1c1cccnc1 ZINC000159303089 565201849 /nfs/dbraw/zinc/20/18/49/565201849.db2.gz ONXHGRQSYIGSDA-XHDPSFHLSA-N 0 2 380.231 3.252 10 0 GGAELN O=S(=O)(Nc1cccc(-c2nc[nH]n2)c1)c1ccc(Br)s1 ZINC000371678871 565203920 /nfs/dbraw/zinc/20/39/20/565203920.db2.gz GWCZRPVLKAWPRI-UHFFFAOYSA-N 0 2 385.268 3.097 10 0 GGAELN CCOC(=O)CC1CCN(C(=O)c2cc(Br)c(F)cc2O)CC1 ZINC000294274946 565206219 /nfs/dbraw/zinc/20/62/19/565206219.db2.gz HHORWUZLXLSJAM-UHFFFAOYSA-N 0 2 388.233 3.099 10 0 GGAELN Cc1ccnc(NS(=O)(=O)c2ccc(Br)cc2C(F)(F)F)n1 ZINC000185703875 565216476 /nfs/dbraw/zinc/21/64/76/565216476.db2.gz XEWNHBMNAOJFGR-UHFFFAOYSA-N 0 2 396.188 3.367 10 0 GGAELN COCCCN(Cc1ccncc1)C(=O)c1cc(Br)c(F)cc1O ZINC000294745871 565225789 /nfs/dbraw/zinc/22/57/89/565225789.db2.gz WYOPYMRBJUNINF-UHFFFAOYSA-N 0 2 397.244 3.368 10 0 GGAELN O=C(c1cc(Br)c(F)cc1O)N1CC[C@@H](OCc2ccccn2)C1 ZINC000294824270 565230687 /nfs/dbraw/zinc/23/06/87/565230687.db2.gz CZEAZPRSSJHHHG-GFCCVEGCSA-N 0 2 395.228 3.120 10 0 GGAELN O=C(c1cc(Br)c(F)cc1O)N1CCSC2(CCOCC2)C1 ZINC000294955201 565236829 /nfs/dbraw/zinc/23/68/29/565236829.db2.gz JIGRLUQVHQYPIE-UHFFFAOYSA-N 0 2 390.274 3.032 10 0 GGAELN COCCN(Cc1ccc(C)o1)C(=O)N=c1nc(-c2ccsc2)[nH]s1 ZINC000372522694 565243671 /nfs/dbraw/zinc/24/36/71/565243671.db2.gz MZIHHUFEEILMTC-UHFFFAOYSA-N 0 2 378.479 3.270 10 0 GGAELN Cc1c(NC(=O)c2cc(Br)c(F)cc2O)cnn1C1CCOCC1 ZINC000295307921 565259152 /nfs/dbraw/zinc/25/91/52/565259152.db2.gz FNYIVJCLWZXFAK-UHFFFAOYSA-N 0 2 398.232 3.403 10 0 GGAELN O=C(c1cc(Br)c(F)cc1O)N1CCCCC[C@@H]1c1ncon1 ZINC000295670178 565280117 /nfs/dbraw/zinc/28/01/17/565280117.db2.gz FYGMZHJHJZIJNO-GFCCVEGCSA-N 0 2 384.205 3.434 10 0 GGAELN O=C(c1cc(Br)c(F)cc1O)N1CCCCC[C@H]1c1ncon1 ZINC000295670179 565280600 /nfs/dbraw/zinc/28/06/00/565280600.db2.gz FYGMZHJHJZIJNO-LBPRGKRZSA-N 0 2 384.205 3.434 10 0 GGAELN Cn1ccnc1[C@@H]1N(C(=O)c2cc(Br)c(F)cc2O)CC1(C)C ZINC000295768747 565285926 /nfs/dbraw/zinc/28/59/26/565285926.db2.gz CLKWOVWJIYTNAE-ZDUSSCGKSA-N 0 2 382.233 3.251 10 0 GGAELN COc1cc(C(F)(F)F)cc(S(=O)(=O)Nc2nnc(CC(C)C)o2)c1 ZINC000295889907 565291804 /nfs/dbraw/zinc/29/18/04/565291804.db2.gz HTGRJMKHSBHNBQ-UHFFFAOYSA-N 0 2 379.360 3.096 10 0 GGAELN Cn1nc([C@@H]2CCCO2)cc1NC(=O)c1cc(Br)c(F)cc1O ZINC000296033998 565298271 /nfs/dbraw/zinc/29/82/71/565298271.db2.gz AAHIFILULGGHEF-ZDUSSCGKSA-N 0 2 384.205 3.131 10 0 GGAELN O=C(c1cc(Br)c(F)cc1O)N1CC[C@H](n2cc(Cl)cn2)C1 ZINC000296281122 565309425 /nfs/dbraw/zinc/30/94/25/565309425.db2.gz YSLFRSSUJQOLPJ-VIFPVBQESA-N 0 2 388.624 3.231 10 0 GGAELN O=S(=O)(Nc1ncc(C2CCOCC2)s1)c1ccc(C(F)(F)F)nc1 ZINC000296532687 565321495 /nfs/dbraw/zinc/32/14/95/565321495.db2.gz DHMBXYKKQCOUAQ-UHFFFAOYSA-N 0 2 393.412 3.252 10 0 GGAELN Cc1ccc(C(=O)N2CCN(C(=O)c3cc(F)c(O)c(Cl)c3)CC2)s1 ZINC000187309764 565322682 /nfs/dbraw/zinc/32/26/82/565322682.db2.gz FTNSIZLOGGBYTR-UHFFFAOYSA-N 0 2 382.844 3.153 10 0 GGAELN COC(=O)c1ccc(S(=O)(=O)Nc2cn(C)nc2C2CCCCC2)s1 ZINC000296679097 565329549 /nfs/dbraw/zinc/32/95/49/565329549.db2.gz IAXMNABHVFJLAY-UHFFFAOYSA-N 0 2 383.495 3.117 10 0 GGAELN COC(=O)c1sccc1S(=O)(=O)Nc1cn(C)nc1C1CCCCC1 ZINC000296728674 565331822 /nfs/dbraw/zinc/33/18/22/565331822.db2.gz NTOPNJQDMJDPHN-UHFFFAOYSA-N 0 2 383.495 3.117 10 0 GGAELN O=S(=O)(Nc1cc(-c2ccncc2)[nH]n1)c1ccc(F)cc1Br ZINC000163201497 565339071 /nfs/dbraw/zinc/33/90/71/565339071.db2.gz PNIRYDYCHJHYHT-UHFFFAOYSA-N 0 2 397.229 3.174 10 0 GGAELN COc1cc(OC)c(S(=O)(=O)Nc2ccc(CSC)cc2)c(OC)c1 ZINC000274999195 565387889 /nfs/dbraw/zinc/38/78/89/565387889.db2.gz JYPQZJADAZBXJQ-UHFFFAOYSA-N 0 2 383.491 3.376 10 0 GGAELN CC(F)(F)c1cccc(NS(=O)(=O)c2ccccc2S(C)(=O)=O)c1 ZINC000188554821 565409003 /nfs/dbraw/zinc/40/90/03/565409003.db2.gz JXOQMPLVKJIVAZ-UHFFFAOYSA-N 0 2 375.418 3.003 10 0 GGAELN C[C@@H](C[C@@H](O)c1cccs1)NC(=O)N=c1nc(-c2ccsc2)[nH]s1 ZINC000376083466 565421139 /nfs/dbraw/zinc/42/11/39/565421139.db2.gz QQXMMTRTGQATHM-GXSJLCMTSA-N 0 2 380.520 3.384 10 0 GGAELN C[C@H](C1CC1)n1nccc1NS(=O)(=O)c1cc2c(cc1Cl)OCCO2 ZINC000171341635 565427132 /nfs/dbraw/zinc/42/71/32/565427132.db2.gz BBTGBGRDVAXPGX-SNVBAGLBSA-N 0 2 383.857 3.080 10 0 GGAELN C[C@H](C1CC1)n1nccc1NS(=O)(=O)c1ccc(Br)s1 ZINC000171342417 565427454 /nfs/dbraw/zinc/42/74/54/565427454.db2.gz OZOCRQKGZILUQH-MRVPVSSYSA-N 0 2 376.301 3.479 10 0 GGAELN COC(=O)NCCc1ccc(S(=O)(=O)Nc2ccccc2SC)s1 ZINC000276280042 565442949 /nfs/dbraw/zinc/44/29/49/565442949.db2.gz WPGDAJDUFAGFDL-UHFFFAOYSA-N 0 2 386.520 3.169 10 0 GGAELN Cc1nn(C)c(C)c1NS(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000276295812 565443332 /nfs/dbraw/zinc/44/33/32/565443332.db2.gz ZLQCTMOCOBHATN-UHFFFAOYSA-N 0 2 396.669 3.393 10 0 GGAELN COC(=O)C[C@@](C)(NC(=O)c1ccc(Cl)c(Cl)c1O)c1ccccn1 ZINC000189114092 565445100 /nfs/dbraw/zinc/44/51/00/565445100.db2.gz AMEVGJIAEKSQMW-QGZVFWFLSA-N 0 2 383.231 3.302 10 0 GGAELN CNC(=O)c1ccc(S(=O)(=O)Nc2cc(Cl)c(Cl)cc2OC)cc1 ZINC000189396897 565462131 /nfs/dbraw/zinc/46/21/31/565462131.db2.gz CPMVEOPIIXQULG-UHFFFAOYSA-N 0 2 389.260 3.162 10 0 GGAELN COC(=O)c1ccc(NS(=O)(=O)c2c(F)cccc2Cl)c(N(C)C)c1 ZINC000189390549 565462898 /nfs/dbraw/zinc/46/28/98/565462898.db2.gz ZCNSBSWHJNXHDA-UHFFFAOYSA-N 0 2 386.832 3.133 10 0 GGAELN CCc1nn(C)c(Cl)c1C[NH+]1CC[C@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000190464338 565534825 /nfs/dbraw/zinc/53/48/25/565534825.db2.gz KUHLJJPOVOWBPB-CQSZACIVSA-N 0 2 381.977 3.355 10 0 GGAELN CS(=O)(=O)c1cc(NS(=O)(=O)c2c(F)cccc2Cl)ccc1Cl ZINC000190832271 565562126 /nfs/dbraw/zinc/56/21/26/565562126.db2.gz OSYWGWBKLXNBJH-UHFFFAOYSA-N 0 2 398.264 3.337 10 0 GGAELN Cc1cc(C)nc(NS(=O)(=O)c2c(Cl)cccc2Br)n1 ZINC000312414691 565582291 /nfs/dbraw/zinc/58/22/91/565582291.db2.gz XPGLPHXSKXPHGG-UHFFFAOYSA-N 0 2 376.663 3.310 10 0 GGAELN COc1ccc(Br)cc1S(=O)(=O)Nc1cc(C(C)(C)C)n[nH]1 ZINC000317852420 565595060 /nfs/dbraw/zinc/59/50/60/565595060.db2.gz NOJVIZMFMKEXKS-UHFFFAOYSA-N 0 2 388.287 3.279 10 0 GGAELN COc1ccccc1-n1cc(S(=O)(=O)Nc2nc(C(C)C)cs2)cn1 ZINC000173996653 565605626 /nfs/dbraw/zinc/60/56/26/565605626.db2.gz DLVLOSKQWBNSNX-UHFFFAOYSA-N 0 2 378.479 3.262 10 0 GGAELN CCc1cnc(NS(=O)(=O)c2cc(Br)ccc2OC)s1 ZINC000174020469 565607630 /nfs/dbraw/zinc/60/76/30/565607630.db2.gz CKJGNMHYKWBPIJ-UHFFFAOYSA-N 0 2 377.285 3.277 10 0 GGAELN CC(=O)N(C)c1cccc(NS(=O)(=O)c2ccc(Br)s2)c1 ZINC000174054378 565609038 /nfs/dbraw/zinc/60/90/38/565609038.db2.gz SUPSBEWKRRWBLQ-UHFFFAOYSA-N 0 2 389.296 3.294 10 0 GGAELN C[C@H]1CCC[N@H+](Cc2nc(-c3cccc(Br)c3)no2)[C@H]1C(=O)[O-] ZINC000324393317 565618323 /nfs/dbraw/zinc/61/83/23/565618323.db2.gz MXHBSNGBTKEQPZ-IINYFYTJSA-N 0 2 380.242 3.184 10 0 GGAELN C[C@H]1CCC[N@@H+](Cc2nc(-c3cccc(Br)c3)no2)[C@H]1C(=O)[O-] ZINC000324393317 565618326 /nfs/dbraw/zinc/61/83/26/565618326.db2.gz MXHBSNGBTKEQPZ-IINYFYTJSA-N 0 2 380.242 3.184 10 0 GGAELN COC(=O)c1ccc(S(=O)(=O)Nc2ccc(Br)c(C)n2)c(C)c1 ZINC000174327927 565629782 /nfs/dbraw/zinc/62/97/82/565629782.db2.gz KCOUQTIUVCMQRK-UHFFFAOYSA-N 0 2 399.266 3.048 10 0 GGAELN COc1cccc(Cc2nnc(NS(=O)(=O)c3cc(C)sc3C)o2)c1 ZINC000280304982 565664704 /nfs/dbraw/zinc/66/47/04/565664704.db2.gz NXLFWJNGAWJUST-UHFFFAOYSA-N 0 2 379.463 3.148 10 0 GGAELN CCCc1cc(NS(=O)(=O)Cc2cc(OC)ccc2Br)n[nH]1 ZINC000410340455 565677593 /nfs/dbraw/zinc/67/75/93/565677593.db2.gz OAKSSQJOIJMPIF-UHFFFAOYSA-N 0 2 388.287 3.075 10 0 GGAELN CNC(=O)c1ccc(S(=O)(=O)Nc2ccc3ccc(Cl)cc3n2)cc1 ZINC000410342350 565678081 /nfs/dbraw/zinc/67/80/81/565678081.db2.gz HPUAMWWNLWYJEA-UHFFFAOYSA-N 0 2 375.837 3.049 10 0 GGAELN CC(C)c1nn(C)cc1NS(=O)(=O)c1cccc(Br)c1F ZINC000410398490 565683326 /nfs/dbraw/zinc/68/33/26/565683326.db2.gz QBLUFBGKGPYIBL-UHFFFAOYSA-N 0 2 376.251 3.246 10 0 GGAELN O=C1CCN1c1ccc(NS(=O)(=O)c2ccc(Br)cc2F)cc1 ZINC000410415388 565684810 /nfs/dbraw/zinc/68/48/10/565684810.db2.gz DGRCLPNXZUKXEA-UHFFFAOYSA-N 0 2 399.241 3.126 10 0 GGAELN Cc1cc(Br)c(S(=O)(=O)Nc2cn(C)nc2C(C)C)s1 ZINC000280947512 565704517 /nfs/dbraw/zinc/70/45/17/565704517.db2.gz JIKBPPHFEABKLM-UHFFFAOYSA-N 0 2 378.317 3.477 10 0 GGAELN COc1cc(Cl)c(S(=O)(=O)Nc2ccnn2[C@H](C)C2CC2)cc1OC ZINC000192793850 565710740 /nfs/dbraw/zinc/71/07/40/565710740.db2.gz ATWRPERQKKQBOB-SNVBAGLBSA-N 0 2 385.873 3.326 10 0 GGAELN Cc1ccsc1-c1nc(=NC(=O)C(=O)N(C)[C@H](C)c2cccs2)s[nH]1 ZINC000411177100 565716434 /nfs/dbraw/zinc/71/64/34/565716434.db2.gz VHUPGJZZZDWBKM-SNVBAGLBSA-N 0 2 392.531 3.217 10 0 GGAELN Cc1ccsc1-c1nc(=NC(=O)C(=O)N(C)[C@@H](C)c2cccs2)s[nH]1 ZINC000411177098 565716892 /nfs/dbraw/zinc/71/68/92/565716892.db2.gz VHUPGJZZZDWBKM-JTQLQIEISA-N 0 2 392.531 3.217 10 0 GGAELN Cc1ccsc1-c1nc(=NC(=O)C(=O)N[C@@H]2CCCC(C)(C)C2)s[nH]1 ZINC000411444512 565730230 /nfs/dbraw/zinc/73/02/30/565730230.db2.gz NLATUSRNSLHFHW-LLVKDONJSA-N 0 2 378.523 3.020 10 0 GGAELN CC[C@H]1CC[C@H](NC(=O)C(=O)N=c2nc(-c3sccc3C)[nH]s2)CC1 ZINC000411565427 565736823 /nfs/dbraw/zinc/73/68/23/565736823.db2.gz XPSNGRCJMJZGPM-HAQNSBGRSA-N 0 2 378.523 3.020 10 0 GGAELN CC[C@@H](NC(=O)C(=O)N=c1nc(-c2sccc2C)[nH]s1)C1CCCC1 ZINC000411583425 565738001 /nfs/dbraw/zinc/73/80/01/565738001.db2.gz CTSCDDOXOIBPTQ-GFCCVEGCSA-N 0 2 378.523 3.020 10 0 GGAELN CCc1nnc(NS(=O)(=O)c2c(C)cc(Br)cc2C)s1 ZINC000331222002 565748444 /nfs/dbraw/zinc/74/84/44/565748444.db2.gz BDMUPEOZRXCXGN-UHFFFAOYSA-N 0 2 376.301 3.281 10 0 GGAELN CC1(CNC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2O)CCC1 ZINC000176215237 565758510 /nfs/dbraw/zinc/75/85/10/565758510.db2.gz OZUHHBAOXXLPQO-UHFFFAOYSA-N 0 2 380.491 3.175 10 0 GGAELN Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc(Cl)cc1Br ZINC000282019937 565760206 /nfs/dbraw/zinc/76/02/06/565760206.db2.gz PDAJKPIJXLADSN-UHFFFAOYSA-N 0 2 378.679 3.254 10 0 GGAELN CCCn1nccc1NS(=O)(=O)c1cc(Br)c(C)cc1OC ZINC000176701547 565796140 /nfs/dbraw/zinc/79/61/40/565796140.db2.gz BILSCHJJAMYVLP-UHFFFAOYSA-N 0 2 388.287 3.173 10 0 GGAELN CCn1cc(NS(=O)(=O)c2ccc(Br)cc2C(F)(F)F)cn1 ZINC000194145811 565797187 /nfs/dbraw/zinc/79/71/87/565797187.db2.gz XEBWBESDVHTWLI-UHFFFAOYSA-N 0 2 398.204 3.485 10 0 GGAELN Cc1ccc(I)c(C(=O)Nc2ccc3nn[nH]c3c2)c1 ZINC000176736867 565799518 /nfs/dbraw/zinc/79/95/18/565799518.db2.gz NXNOAMBJOYIWGL-UHFFFAOYSA-N 0 2 378.173 3.123 10 0 GGAELN CCc1cnc(CCNC(=O)C2=NN(c3ccc(Cl)cc3)CC2=O)s1 ZINC000194219012 565802914 /nfs/dbraw/zinc/80/29/14/565802914.db2.gz ZFJGCVHGKDWBEM-UHFFFAOYSA-N 0 2 376.869 3.223 10 0 GGAELN CS(=O)(=O)c1ccccc1NS(=O)(=O)Cc1ccc(Cl)cc1Cl ZINC000194642526 565827782 /nfs/dbraw/zinc/82/77/82/565827782.db2.gz KTBXNMKVJKVDJZ-UHFFFAOYSA-N 0 2 394.301 3.339 10 0 GGAELN O=S(=O)(Nc1nnc(C2CCCCC2)o1)c1c(Cl)nc2ccccn21 ZINC000194786646 565837714 /nfs/dbraw/zinc/83/77/14/565837714.db2.gz VCIOPVPBGOUYOS-UHFFFAOYSA-N 0 2 381.845 3.219 10 0 GGAELN O=C(c1cc(F)c(O)c(Cl)c1)N1CCOC[C@@H]1C[C@@H](O)c1cccs1 ZINC000194822676 565840451 /nfs/dbraw/zinc/84/04/51/565840451.db2.gz JJCJUCXHATVDMH-SMDDNHRTSA-N 0 2 385.844 3.211 10 0 GGAELN O=S(=O)(Nc1nnc(CCc2ccccc2)o1)c1c(F)cccc1Cl ZINC000194845825 565842088 /nfs/dbraw/zinc/84/20/88/565842088.db2.gz ZEYGKRDFPHXOFT-UHFFFAOYSA-N 0 2 381.816 3.448 10 0 GGAELN O=S(=O)(Cc1ccc(Cl)cc1Cl)Nc1ncn(CC(F)(F)F)n1 ZINC000194994906 565852049 /nfs/dbraw/zinc/85/20/49/565852049.db2.gz HJXCOHSOJBWQCA-UHFFFAOYSA-N 0 2 389.186 3.089 10 0 GGAELN O=C(N[C@@H](CO)c1cccc(Br)c1)c1cc(F)c(O)c(Cl)c1 ZINC000195060632 565855703 /nfs/dbraw/zinc/85/57/03/565855703.db2.gz FHFDLTSNJMFQTH-ZDUSSCGKSA-N 0 2 388.620 3.411 10 0 GGAELN Cc1c(S(=O)(=O)Nc2nnc(CC(F)(F)F)s2)c2ccccc2n1C ZINC000284695530 565865860 /nfs/dbraw/zinc/86/58/60/565865860.db2.gz HETSNWGONLRNJH-UHFFFAOYSA-N 0 2 390.412 3.244 10 0 GGAELN COCc1csc(NS(=O)(=O)c2cc(C)c(Br)s2)n1 ZINC000177925878 565881711 /nfs/dbraw/zinc/88/17/11/565881711.db2.gz NTVKXQVPLSSYSG-UHFFFAOYSA-N 0 2 383.314 3.223 10 0 GGAELN O=c1[nH]nc([C@@H]2CCCN(c3nc(C(F)(F)F)c(Br)s3)C2)[nH]1 ZINC000333599043 565888932 /nfs/dbraw/zinc/88/89/32/565888932.db2.gz WGBMYPILALFGON-RXMQYKEDSA-N 0 2 398.208 3.132 10 0 GGAELN Cc1nn(C)c(S(=O)(=O)Nc2nc3c(s2)CCCCC3)c1C(F)F ZINC000333900125 565901660 /nfs/dbraw/zinc/90/16/60/565901660.db2.gz BKQPJDZNBZOKNC-UHFFFAOYSA-N 0 2 376.454 3.192 10 0 GGAELN O=S(=O)(Nc1ccc(F)cn1)c1cccc2cncc(Br)c21 ZINC000225744119 565917397 /nfs/dbraw/zinc/91/73/97/565917397.db2.gz KPCWCJPNTLQKAX-UHFFFAOYSA-N 0 2 382.214 3.332 10 0 GGAELN CCOc1ccncc1S(=O)(=O)Nc1ccc(C(F)(F)F)c(OC)c1 ZINC000414379024 565918225 /nfs/dbraw/zinc/91/82/25/565918225.db2.gz FJDIUIOMSPCGDP-UHFFFAOYSA-N 0 2 376.356 3.309 10 0 GGAELN COC(C)(C)CS(=O)(=O)Nc1cc(Br)ccc1OC(C)C ZINC000414377289 565918561 /nfs/dbraw/zinc/91/85/61/565918561.db2.gz WLZDXSNUHSREFS-UHFFFAOYSA-N 0 2 380.304 3.403 10 0 GGAELN CCOc1ccncc1S(=O)(=O)Nc1ccc(F)cc1OCC(F)F ZINC000414382124 565919171 /nfs/dbraw/zinc/91/91/71/565919171.db2.gz NQVWEGHSADQASM-UHFFFAOYSA-N 0 2 376.356 3.064 10 0 GGAELN CCOc1cc(Br)c(F)cc1NS(=O)(=O)CC(C)(C)OC ZINC000414381611 565919793 /nfs/dbraw/zinc/91/97/93/565919793.db2.gz IXHVPIDDQOYAKX-UHFFFAOYSA-N 0 2 384.267 3.154 10 0 GGAELN COC(C)(C)CS(=O)(=O)Nc1cc(Cl)ccc1OC[C@H]1CCCO1 ZINC000414387233 565920617 /nfs/dbraw/zinc/92/06/17/565920617.db2.gz YVBZIKZVPSBRFD-CYBMUJFWSA-N 0 2 377.890 3.065 10 0 GGAELN COC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1ccc(OC)c(SC)c1 ZINC000414389037 565921866 /nfs/dbraw/zinc/92/18/66/565921866.db2.gz OKQYPSZVJNGEGO-UHFFFAOYSA-N 0 2 385.463 3.214 10 0 GGAELN Cc1cc(S(=O)(=O)Nc2ccc(F)cc2N2CCOCC2)sc1Cl ZINC000414391277 565922217 /nfs/dbraw/zinc/92/22/17/565922217.db2.gz CACRGSKBAHLARF-UHFFFAOYSA-N 0 2 390.889 3.486 10 0 GGAELN Cn1ncc(Cl)c1S(=O)(=O)Nc1ccc(Br)c(Cl)c1 ZINC000228018851 565925154 /nfs/dbraw/zinc/92/51/54/565925154.db2.gz MCXVZGXUDXBGBU-UHFFFAOYSA-N 0 2 385.070 3.290 10 0 GGAELN COC(=O)c1ccc(S(=O)(=O)Nc2cccc3cccnc32)cc1Cl ZINC000178594308 565927672 /nfs/dbraw/zinc/92/76/72/565927672.db2.gz LFMBZTPCTZBRPU-UHFFFAOYSA-N 0 2 376.821 3.476 10 0 GGAELN CC[C@H]1CCc2nc(NS(=O)(=O)c3c(C(F)F)c(C)nn3C)sc2C1 ZINC000414441584 565933285 /nfs/dbraw/zinc/93/32/85/565933285.db2.gz ODSLTHWPTSVOFS-VIFPVBQESA-N 0 2 390.481 3.438 10 0 GGAELN COCc1csc(NS(=O)(=O)c2cc(C)c(Br)cc2F)n1 ZINC000414447170 565933853 /nfs/dbraw/zinc/93/38/53/565933853.db2.gz ZHGRCPKZRIOWQJ-UHFFFAOYSA-N 0 2 395.275 3.300 10 0 GGAELN CCc1nc(NS(=O)(=O)c2cnc(NC(C)=O)s2)sc1C(C)(C)C ZINC000414467741 565938918 /nfs/dbraw/zinc/93/89/18/565938918.db2.gz DMWFFDDPPOTCPF-UHFFFAOYSA-N 0 2 388.540 3.219 10 0 GGAELN CCc1csc(NS(=O)(=O)c2cc(Br)ccc2OC)n1 ZINC000414473190 565939980 /nfs/dbraw/zinc/93/99/80/565939980.db2.gz VFWKSNSHXCELIF-UHFFFAOYSA-N 0 2 377.285 3.277 10 0 GGAELN CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@@H](C(C)C)C(F)(F)F)cc1Cl ZINC000414483678 565941431 /nfs/dbraw/zinc/94/14/31/565941431.db2.gz ZWYJNMYYGYOICF-LBPRGKRZSA-N 0 2 390.786 3.303 10 0 GGAELN CCc1cc(NC(=O)c2cccc(NS(=O)(=O)c3cccs3)c2)no1 ZINC000606885198 565972122 /nfs/dbraw/zinc/97/21/22/565972122.db2.gz DNWLNTSNSPUECS-UHFFFAOYSA-N 0 2 377.447 3.352 10 0 GGAELN COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccc(Cl)c(Cl)c1O ZINC000179463936 565981676 /nfs/dbraw/zinc/98/16/76/565981676.db2.gz FKYLELGSBMPAQU-AWEZNQCLSA-N 0 2 380.227 3.439 10 0 GGAELN CC[C@@H](C)NC(=O)[C@@H]1CSCN1C(=O)c1ccc(Cl)c(Cl)c1O ZINC000179496661 565983892 /nfs/dbraw/zinc/98/38/92/565983892.db2.gz STIDKWJEHBIQMZ-KCJUWKMLSA-N 0 2 377.293 3.129 10 0 GGAELN CCCCNC(=O)[C@@H]1CSCN1C(=O)c1ccc(Cl)c(Cl)c1O ZINC000179497086 565984214 /nfs/dbraw/zinc/98/42/14/565984214.db2.gz CPSBHEVECSPQFL-NSHDSACASA-N 0 2 377.293 3.130 10 0 GGAELN CC(C)N(C)C(=O)[C@@H]1CSCN1C(=O)c1ccc(Cl)c(Cl)c1O ZINC000179496280 565984263 /nfs/dbraw/zinc/98/42/63/565984263.db2.gz MEFOQGBYVXBAON-NSHDSACASA-N 0 2 377.293 3.081 10 0 GGAELN CN(C(=O)c1ccc(Cl)c(Cl)c1O)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000179608603 565992662 /nfs/dbraw/zinc/99/26/62/565992662.db2.gz FLMPNWYTSDJOAG-RYUDHWBXSA-N 0 2 380.293 3.127 10 0 GGAELN COCC(C)(C)CC(=O)N=c1ccc(-c2ccc(Br)s2)n[nH]1 ZINC000415604386 566008089 /nfs/dbraw/zinc/00/80/89/566008089.db2.gz PBTZSERTGWYJRT-UHFFFAOYSA-N 0 2 384.299 3.391 10 0 GGAELN Cc1sc2ccc(Cl)cc2c1S(=O)(=O)Nc1ccc(C(N)=O)nc1 ZINC000179842640 566011888 /nfs/dbraw/zinc/01/18/88/566011888.db2.gz BLVCAIMTWIYZFA-UHFFFAOYSA-N 0 2 381.866 3.158 10 0 GGAELN O=S(=O)(Nc1c[nH]nc1-c1ccccn1)c1cccc(Br)c1 ZINC000179832387 566011927 /nfs/dbraw/zinc/01/19/27/566011927.db2.gz JDAIIYWKPZDBOV-UHFFFAOYSA-N 0 2 379.239 3.035 10 0 GGAELN O=C(N=c1nc(-c2ccsc2)[nH]s1)c1ccc(-n2cc[nH]c2=S)cc1 ZINC000364547915 566057852 /nfs/dbraw/zinc/05/78/52/566057852.db2.gz SHVUWEZLCDYNGK-UHFFFAOYSA-N 0 2 385.499 3.415 10 0 GGAELN COc1ccc(CN(C)C(=O)N=c2nc(-c3ccsc3)[nH]s2)cc1O ZINC000365566323 566108939 /nfs/dbraw/zinc/10/89/39/566108939.db2.gz RVKQVVLLNQXINS-UHFFFAOYSA-N 0 2 376.463 3.067 10 0 GGAELN Cc1cccc(S(=O)(=O)Nc2cc(N3CC[NH+]=C3[O-])ccc2F)c1Cl ZINC000253432777 566118181 /nfs/dbraw/zinc/11/81/81/566118181.db2.gz NZRZEFCDGAIJPF-UHFFFAOYSA-N 0 2 383.832 3.118 10 0 GGAELN COc1ccc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)c(Br)c1O ZINC000261621735 566126910 /nfs/dbraw/zinc/12/69/10/566126910.db2.gz BZVBRVLVFASDJQ-CVEARBPZSA-N 0 2 391.309 3.338 10 0 GGAELN Cn1nc(CC(C)(C)C)cc1NS(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000181312888 566132089 /nfs/dbraw/zinc/13/20/89/566132089.db2.gz RLNXDTAPBAOJJX-UHFFFAOYSA-N 0 2 376.404 3.223 10 0 GGAELN O=C(CSc1n[nH]c(=O)[nH]1)N1CCC(c2cccc(Cl)c2Cl)CC1 ZINC000366035755 566132480 /nfs/dbraw/zinc/13/24/80/566132480.db2.gz ARRXSIPECYGASC-UHFFFAOYSA-N 0 2 387.292 3.315 10 0 GGAELN CCS(=O)(=O)c1ccc(CNC(=O)c2ccc(Cl)c(Cl)c2O)cc1 ZINC000181365983 566135870 /nfs/dbraw/zinc/13/58/70/566135870.db2.gz IJYWDGRTQFEWJO-UHFFFAOYSA-N 0 2 388.272 3.423 10 0 GGAELN COc1ccc2c(c1)CCC[C@]2([NH2+]Cc1ncc(CSC)s1)C(=O)[O-] ZINC000417577161 566162387 /nfs/dbraw/zinc/16/23/87/566162387.db2.gz IUCKNMPMYSFQFU-GOSISDBHSA-N 0 2 378.519 3.421 10 0 GGAELN CSCc1cnc(C[NH2+][C@@H](CN2CCCc3ccccc32)C(=O)[O-])s1 ZINC000417581319 566163684 /nfs/dbraw/zinc/16/36/84/566163684.db2.gz SPQNEMVOZNMOJJ-HNNXBMFYSA-N 0 2 377.535 3.002 10 0 GGAELN Cn1c(CNC(=O)c2cc(Cl)cc(Br)c2O)nnc1C1CCC1 ZINC000182093930 566183563 /nfs/dbraw/zinc/18/35/63/566183563.db2.gz HEUMOMFLURTHFQ-UHFFFAOYSA-N 0 2 399.676 3.134 10 0 GGAELN Cn1cc(NS(=O)(=O)c2c(F)cccc2OC(F)(F)F)c(C2CC2)n1 ZINC000291012121 566200456 /nfs/dbraw/zinc/20/04/56/566200456.db2.gz COKSAUDIVITJMC-UHFFFAOYSA-N 0 2 379.335 3.136 10 0 GGAELN Cc1cc(S(=O)(=O)Nc2cn(C)nc2C2CC2)c(C)cc1Br ZINC000291032048 566201922 /nfs/dbraw/zinc/20/19/22/566201922.db2.gz FJYBDUWFXPTNOW-UHFFFAOYSA-N 0 2 384.299 3.478 10 0 GGAELN O=C(N=c1nc(-c2cccc(Cl)c2)[nH]s1)N1CC[C@]2(C1)CCCOC2 ZINC000367483774 566204140 /nfs/dbraw/zinc/20/41/40/566204140.db2.gz OFIXDKISUJHFKP-KRWDZBQOSA-N 0 2 378.885 3.315 10 0 GGAELN COC(=O)c1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccn2)cc1Cl ZINC000182948549 566231994 /nfs/dbraw/zinc/23/19/94/566231994.db2.gz WFKLDIVMZYKTBR-UHFFFAOYSA-N 0 2 394.758 3.341 10 0 GGAELN COc1ccc(Br)cc1S(=O)(=O)Nc1cccc2c1CN(C)C2 ZINC000291818316 566235935 /nfs/dbraw/zinc/23/59/35/566235935.db2.gz DSISECNUJPGMLE-UHFFFAOYSA-N 0 2 397.294 3.204 10 0 GGAELN Cc1nn(C)c(Cl)c1S(=O)(=O)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000183142251 566239056 /nfs/dbraw/zinc/23/90/56/566239056.db2.gz VEHRBAMDXQTFNE-UHFFFAOYSA-N 0 2 386.207 3.438 10 0 GGAELN Cc1ccc(S(=O)(=O)Nc2cccc3c2OCC[C@H]3O)c(Br)c1 ZINC000368500791 566240635 /nfs/dbraw/zinc/24/06/35/566240635.db2.gz DZVLVCAKRQVJAL-CQSZACIVSA-N 0 2 398.278 3.374 10 0 GGAELN Cc1cc2c(cc1S(=O)(=O)Nc1nc3cc(Cl)ccc3n1C)OCO2 ZINC000481818363 566253843 /nfs/dbraw/zinc/25/38/43/566253843.db2.gz NJYMMVZUFQUCJK-UHFFFAOYSA-N 0 2 379.825 3.065 10 0 GGAELN CCn1cnc(S(=O)(=O)Nc2nnc(-c3ccc(Cl)cc3F)s2)c1 ZINC000481862967 566258200 /nfs/dbraw/zinc/25/82/00/566258200.db2.gz LRKJPSKWOYXIPM-UHFFFAOYSA-N 0 2 387.849 3.015 10 0 GGAELN CC(C)NS(=O)(=O)c1ccc(NC(=O)c2cc(F)c(O)c(Cl)c2)cc1 ZINC000445247488 566275069 /nfs/dbraw/zinc/27/50/69/566275069.db2.gz HCHHBLSGUPIQLD-UHFFFAOYSA-N 0 2 386.832 3.124 10 0 GGAELN COc1c(C)cc(C)cc1S(=O)(=O)Nc1nc(-c2sccc2C)ns1 ZINC000509219437 566279203 /nfs/dbraw/zinc/27/92/03/566279203.db2.gz KZQVNFMXLIXNKM-UHFFFAOYSA-N 0 2 395.531 3.423 10 0 GGAELN O=C(NCCc1cnc(C2CC2)nc1)c1cc(Cl)cc(Br)c1O ZINC000535229579 566287484 /nfs/dbraw/zinc/28/74/84/566287484.db2.gz NHKOHPACDDGWMU-UHFFFAOYSA-N 0 2 396.672 3.448 10 0 GGAELN Cc1ccsc1-c1nc(=NC(=O)N2CCC[C@H]([C@H]3CCOC3)C2)s[nH]1 ZINC000575849662 566293051 /nfs/dbraw/zinc/29/30/51/566293051.db2.gz OKRCDWOTKPRJRX-STQMWFEESA-N 0 2 378.523 3.277 10 0 GGAELN Cc1ccc2c(c1C)OC[C@H]2NS(=O)(=O)c1c(F)c(F)cc(F)c1F ZINC000509362213 566294334 /nfs/dbraw/zinc/29/43/34/566294334.db2.gz UHLQSQDKMNJATH-GFCCVEGCSA-N 0 2 375.343 3.272 10 0 GGAELN Cc1cc(F)ccc1N1CC(=O)C(C(=O)Nc2cncc(Br)c2)=N1 ZINC000535312034 566295581 /nfs/dbraw/zinc/29/55/81/566295581.db2.gz BYBKSHLLCYCRES-UHFFFAOYSA-N 0 2 391.200 3.435 10 0 GGAELN CCn1nccc1S(=O)(=O)Nc1ccc(Br)c2cccnc12 ZINC000509376786 566296344 /nfs/dbraw/zinc/29/63/44/566296344.db2.gz DDTVKZINWMJGAM-UHFFFAOYSA-N 0 2 381.255 3.015 10 0 GGAELN FC(F)(F)CN=c1[n-]nc(SCc2c[nH+]cn2Cc2ccccc2)s1 ZINC000445595184 566299533 /nfs/dbraw/zinc/29/95/33/566299533.db2.gz AAGHUSRZCUADHD-UHFFFAOYSA-N 0 2 385.440 3.471 10 0 GGAELN Cc1ccc(Br)cc1S(=O)(=O)Nc1cnc(CC2CC2)nc1 ZINC000576016106 566306886 /nfs/dbraw/zinc/30/68/86/566306886.db2.gz FKSAKRAICQAGQA-UHFFFAOYSA-N 0 2 382.283 3.301 10 0 GGAELN CCc1csc(-n2cc(C(=O)N=c3nc(-c4ccsc4)[nH]s3)cn2)n1 ZINC000535665054 566317347 /nfs/dbraw/zinc/31/73/47/566317347.db2.gz FUDDWVJSZIKRIN-UHFFFAOYSA-N 0 2 388.503 3.145 10 0 GGAELN CCS(=O)(=O)c1ccc(S(=O)(=O)Nc2nc(C3CCC3)cs2)cc1 ZINC000576187722 566322745 /nfs/dbraw/zinc/32/27/45/566322745.db2.gz PWINCAWHDIYPPB-UHFFFAOYSA-N 0 2 386.520 3.005 10 0 GGAELN COc1cc(F)c(S(=O)(=O)Nc2ccc(C(F)(F)F)nc2C)c(F)c1 ZINC000669822043 566328462 /nfs/dbraw/zinc/32/84/62/566328462.db2.gz JWJOXYAEOGOQBP-UHFFFAOYSA-N 0 2 382.310 3.496 10 0 GGAELN CO[C@@H](C)c1nsc(NC[C@H]2CCN(c3ccc(Br)cc3)C2)n1 ZINC000509683590 566330174 /nfs/dbraw/zinc/33/01/74/566330174.db2.gz TYYGYEPYECUMIH-NWDGAFQWSA-N 0 2 397.342 3.368 10 0 GGAELN Cc1nc(-c2cccs2)sc1C(=O)N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000535840848 566331728 /nfs/dbraw/zinc/33/17/28/566331728.db2.gz FAFWGLVHAPRPJU-UHFFFAOYSA-N 0 2 375.479 3.024 10 0 GGAELN Cc1ccsc1-c1nc(=NC(=O)N2CC[C@H](n3cc(Cl)cn3)C2)s[nH]1 ZINC000576316784 566335600 /nfs/dbraw/zinc/33/56/00/566335600.db2.gz APXSNQFBXCQTQI-NSHDSACASA-N 0 2 394.913 3.326 10 0 GGAELN CS(=O)(=O)Cc1ccc(NC(=O)c2cc(F)c(O)c(Cl)c2)cc1F ZINC000446193558 566335836 /nfs/dbraw/zinc/33/58/36/566335836.db2.gz VPIJLEMKXRZYFH-UHFFFAOYSA-N 0 2 375.780 3.121 10 0 GGAELN Cc1nc([C@H]2CCCCN2C(=O)c2cc(Br)c(F)cc2O)no1 ZINC000648986689 566337919 /nfs/dbraw/zinc/33/79/19/566337919.db2.gz RPPQZSPABNHHIU-GFCCVEGCSA-N 0 2 384.205 3.353 10 0 GGAELN Cc1nn(C)cc1[C@H]1CCCN1C(=O)c1cc(Br)c(F)cc1O ZINC000649190442 566351031 /nfs/dbraw/zinc/35/10/31/566351031.db2.gz XSSMEOAHDBLAJX-CQSZACIVSA-N 0 2 382.233 3.313 10 0 GGAELN COC(=O)c1sc(C)cc1NS(=O)(=O)C[C@@H](OC)c1ccc(F)cc1 ZINC000600654914 566355653 /nfs/dbraw/zinc/35/56/53/566355653.db2.gz DHVXDCXCDQATCI-CQSZACIVSA-N 0 2 387.454 3.112 10 0 GGAELN COC(=O)[C@@H](C)Oc1ccc(NS(=O)(=O)c2cc(C)c(C)s2)cc1F ZINC000600663053 566356101 /nfs/dbraw/zinc/35/61/01/566356101.db2.gz UCQKZASMTVVBMO-SNVBAGLBSA-N 0 2 387.454 3.245 10 0 GGAELN COC(=O)c1ccc(S(=O)(=O)Nc2cccc(C3CCOCC3)c2)s1 ZINC000600662368 566356337 /nfs/dbraw/zinc/35/63/37/566356337.db2.gz KIODWTKXESCTQW-UHFFFAOYSA-N 0 2 381.475 3.230 10 0 GGAELN COCc1ccccc1S(=O)(=O)Nc1ccc(OC)nc1C(F)(F)F ZINC000670329526 566357130 /nfs/dbraw/zinc/35/71/30/566357130.db2.gz RGINBTQKBVFJLM-UHFFFAOYSA-N 0 2 376.356 3.056 10 0 GGAELN COC(=O)c1cc(F)cc(S(=O)(=O)Nc2nc(C(C)C)cs2)c1F ZINC000600665980 566357705 /nfs/dbraw/zinc/35/77/05/566357705.db2.gz VTEPYZAQWZNIHX-UHFFFAOYSA-N 0 2 376.406 3.132 10 0 GGAELN CCOc1cccc(S(=O)(=O)Nc2ccc(OC)nc2C(F)(F)F)c1 ZINC000670329393 566357946 /nfs/dbraw/zinc/35/79/46/566357946.db2.gz GFDFULKKRUQSHO-UHFFFAOYSA-N 0 2 376.356 3.309 10 0 GGAELN CCOC(=O)c1sc(NS(=O)(=O)c2ccc(C)c(F)c2F)nc1C ZINC000600665994 566357904 /nfs/dbraw/zinc/35/79/04/566357904.db2.gz WGVWNTXAJJLCJI-UHFFFAOYSA-N 0 2 376.406 3.016 10 0 GGAELN COCc1csc(NS(=O)(=O)c2cc(Cl)ccc2OC(F)F)n1 ZINC000421232551 566357963 /nfs/dbraw/zinc/35/79/63/566357963.db2.gz ZFVTUAZMRSCLLO-UHFFFAOYSA-N 0 2 384.813 3.345 10 0 GGAELN Cc1nn(C)c(S(=O)(=O)Nc2nc3c(s2)CCC3(C)C)c1C(F)F ZINC000421232817 566358172 /nfs/dbraw/zinc/35/81/72/566358172.db2.gz MBQFEHAVCLZAPS-UHFFFAOYSA-N 0 2 376.454 3.147 10 0 GGAELN CN(C(=O)c1cc(Br)c(F)cc1O)[C@@H]1CCCc2c1cnn2C ZINC000649265820 566358383 /nfs/dbraw/zinc/35/83/83/566358383.db2.gz BLXVDQQRACERAI-CYBMUJFWSA-N 0 2 382.233 3.177 10 0 GGAELN C[C@H](CC(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1)C(F)(F)F ZINC000625983781 566371859 /nfs/dbraw/zinc/37/18/59/566371859.db2.gz AJRUQVOIXMVVDG-SECBINFHSA-N 0 2 393.412 3.471 10 0 GGAELN CC(C)Oc1ccc(NS(=O)(=O)c2ccc(CC(F)(F)F)cc2)nn1 ZINC000446965308 566375545 /nfs/dbraw/zinc/37/55/45/566375545.db2.gz GRADEJWDPAMAIQ-UHFFFAOYSA-N 0 2 375.372 3.169 10 0 GGAELN CC1(CC(=O)Nc2ccc(S(=O)(=O)Nc3nncs3)cc2)CCCC1 ZINC000576764488 566375676 /nfs/dbraw/zinc/37/56/76/566375676.db2.gz FSVHKSPVZCGIMJ-UHFFFAOYSA-N 0 2 380.495 3.248 10 0 GGAELN COc1ccc(S(=O)(=O)Nc2nc3c(s2)CSCC3)c2ncccc12 ZINC000649615155 566379186 /nfs/dbraw/zinc/37/91/86/566379186.db2.gz ABNAGRSXJYRALF-UHFFFAOYSA-N 0 2 393.515 3.290 10 0 GGAELN O=C(N[C@@H]1CCN(c2ccccc2Br)C1)c1c(O)cc(F)cc1F ZINC000601037687 566385813 /nfs/dbraw/zinc/38/58/13/566385813.db2.gz PPNDEIVZSDTCPD-LLVKDONJSA-N 0 2 397.219 3.442 10 0 GGAELN O=C(N=c1nc(-c2ccsc2)[nH]s1)[C@H](C[C@@H]1CCCO1)C(F)(F)F ZINC000649709969 566387042 /nfs/dbraw/zinc/38/70/42/566387042.db2.gz HSXGBZQRLGHSNL-UWVGGRQHSA-N 0 2 377.413 3.375 10 0 GGAELN O=C(N=c1nc(-c2ccsc2)[nH]s1)[C@@H](C[C@H]1CCCO1)C(F)(F)F ZINC000649709968 566387776 /nfs/dbraw/zinc/38/77/76/566387776.db2.gz HSXGBZQRLGHSNL-NXEZZACHSA-N 0 2 377.413 3.375 10 0 GGAELN COc1cccc(C(=O)Nc2nc(-c3ccccc3Br)n[nH]2)c1O ZINC000649871937 566402054 /nfs/dbraw/zinc/40/20/54/566402054.db2.gz HWZRBAFWKBUNJE-UHFFFAOYSA-N 0 2 389.209 3.201 10 0 GGAELN Cc1sc(Br)cc1S(=O)(=O)Nc1cnc(CC2CC2)nc1 ZINC000671152282 566402445 /nfs/dbraw/zinc/40/24/45/566402445.db2.gz SLIGNHDVGGLWSA-UHFFFAOYSA-N 0 2 388.312 3.362 10 0 GGAELN CCOC(=O)C1(CC(=O)Nc2cc(Cl)c(O)c(Cl)c2)CCOCC1 ZINC000601393438 566405221 /nfs/dbraw/zinc/40/52/21/566405221.db2.gz AFXYMIJWGWQUPO-UHFFFAOYSA-N 0 2 376.236 3.388 10 0 GGAELN COc1cc(Br)ccc1[C@H]1CCCN1C(=O)N=c1cccn[nH]1 ZINC000626434244 566409929 /nfs/dbraw/zinc/40/99/29/566409929.db2.gz VDAJAEHBPINXFI-CYBMUJFWSA-N 0 2 377.242 3.039 10 0 GGAELN O=C(N=c1cccn[nH]1)N[C@@H]1CCCSc2ccc(Br)cc21 ZINC000626434109 566410394 /nfs/dbraw/zinc/41/03/94/566410394.db2.gz RBPSCIKJKDQMEL-GFCCVEGCSA-N 0 2 379.283 3.410 10 0 GGAELN CS(=O)(=O)c1ccc(S(=O)(=O)Nc2csc3ccccc23)cc1F ZINC000484059026 566414717 /nfs/dbraw/zinc/41/47/17/566414717.db2.gz CZHIWINEYYDGBN-UHFFFAOYSA-N 0 2 385.463 3.245 10 0 GGAELN CCOC(=O)COc1cccc(NS(=O)(=O)c2c(F)cccc2Cl)c1 ZINC000463514312 566415837 /nfs/dbraw/zinc/41/58/37/566415837.db2.gz HEIIWNONRVGTSJ-UHFFFAOYSA-N 0 2 387.816 3.222 10 0 GGAELN Cc1ccsc1-c1nc(=NC(=O)N[C@@H](C2CC2)C2CCOCC2)s[nH]1 ZINC000650132936 566426278 /nfs/dbraw/zinc/42/62/78/566426278.db2.gz PMHNZYIEYANTMP-ZDUSSCGKSA-N 0 2 378.523 3.324 10 0 GGAELN O=C(N=c1nc(-c2cccc(Cl)c2)[nH]s1)[C@H]1CCCN1CC(F)(F)F ZINC000463679645 566426938 /nfs/dbraw/zinc/42/69/38/566426938.db2.gz USMFOGCSTAUGRM-LLVKDONJSA-N 0 2 390.818 3.246 10 0 GGAELN CN(Cc1ccc(F)cc1Br)C(=O)N=c1ncn(C(C)(C)C)[nH]1 ZINC000484364653 566427034 /nfs/dbraw/zinc/42/70/34/566427034.db2.gz WOOFETNAVVGTTC-UHFFFAOYSA-N 0 2 384.253 3.021 10 0 GGAELN COc1cc(Cl)c(S(=O)(=O)Nc2cccc3c2OCCC3)cc1OC ZINC000447785726 566430793 /nfs/dbraw/zinc/43/07/93/566430793.db2.gz JUVZCODHROEHQO-UHFFFAOYSA-N 0 2 383.853 3.483 10 0 GGAELN C[C@H]1COCC[C@H]1C(=O)N=c1ccc(-c2ccc(Br)s2)n[nH]1 ZINC000484584000 566439353 /nfs/dbraw/zinc/43/93/53/566439353.db2.gz NNSMPGMGTVECDX-VHSXEESVSA-N 0 2 382.283 3.001 10 0 GGAELN CS(=O)(=O)c1ccccc1S(=O)(=O)Nc1ccc2c(c1)CCCCC2 ZINC000650218162 566439702 /nfs/dbraw/zinc/43/97/02/566439702.db2.gz UHMFNQPCZNVFGA-UHFFFAOYSA-N 0 2 379.503 3.160 10 0 GGAELN C[C@H]1CO[C@H](C(F)(F)F)CN1C(=O)c1cc(Br)c(F)cc1O ZINC000650221073 566439774 /nfs/dbraw/zinc/43/97/74/566439774.db2.gz FAMBIXXYOZRIPK-KGFZYKRKSA-N 0 2 386.139 3.086 10 0 GGAELN COC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1nc(C)c(C(F)(F)F)s1 ZINC000577580573 566447239 /nfs/dbraw/zinc/44/72/39/566447239.db2.gz HZUHAIVFTGEXSS-UHFFFAOYSA-N 0 2 398.384 3.268 10 0 GGAELN CCCCOc1cccc(NS(=O)(=O)c2ccccc2S(C)(=O)=O)c1 ZINC000511260159 566449677 /nfs/dbraw/zinc/44/96/77/566449677.db2.gz KTVDCXWXHCIFQY-UHFFFAOYSA-N 0 2 383.491 3.070 10 0 GGAELN CCc1ccc([C@H](COC)NC(=O)N=c2nc(-c3ccsc3)[nH]s2)o1 ZINC000447986811 566451894 /nfs/dbraw/zinc/45/18/94/566451894.db2.gz DDPVGPJZKAYIDI-LBPRGKRZSA-N 0 2 378.479 3.353 10 0 GGAELN CC(C)(C)OC(=O)[C@@H]1CCCN1C(=O)N=c1nc(-c2ccsc2)[nH]s1 ZINC000447998258 566451911 /nfs/dbraw/zinc/45/19/11/566451911.db2.gz HBVDNTGXCRVXKE-NSHDSACASA-N 0 2 380.495 3.027 10 0 GGAELN CC(C)[C@@H](NC(=O)N=c1nc(-c2ccsc2)[nH]s1)C(=O)OC(C)(C)C ZINC000447997800 566452026 /nfs/dbraw/zinc/45/20/26/566452026.db2.gz FJNUCKFWCCHKPK-LLVKDONJSA-N 0 2 382.511 3.176 10 0 GGAELN O=C(N=c1nc(-c2ccsc2)[nH]s1)N[C@@H]1CCOc2ccc(F)cc21 ZINC000447991683 566452299 /nfs/dbraw/zinc/45/22/99/566452299.db2.gz NEFGRVBRXLRKSL-GFCCVEGCSA-N 0 2 376.438 3.473 10 0 GGAELN CCc1ccc(S(=O)(=O)Nc2noc(COc3ccc(C)cc3)n2)s1 ZINC000537593777 566453149 /nfs/dbraw/zinc/45/31/49/566453149.db2.gz LYEUZCSCSPDQNO-UHFFFAOYSA-N 0 2 379.463 3.382 10 0 GGAELN CCCOc1ccc(CNC(=O)N=c2nc(-c3ccsc3)[nH]s2)cn1 ZINC000448008692 566453220 /nfs/dbraw/zinc/45/32/20/566453220.db2.gz HGVFFDFRMUQDDF-UHFFFAOYSA-N 0 2 375.479 3.194 10 0 GGAELN C[C@H](COc1cccc(F)c1)NC(=O)N=c1nc(-c2ccsc2)[nH]s1 ZINC000448000663 566453285 /nfs/dbraw/zinc/45/32/85/566453285.db2.gz QIVMBOLBXUGOPU-SNVBAGLBSA-N 0 2 378.454 3.417 10 0 GGAELN O=C(N=c1nc(-c2ccsc2)[nH]s1)NCCc1cc(F)c(F)c(F)c1 ZINC000448001690 566453495 /nfs/dbraw/zinc/45/34/95/566453495.db2.gz RQWTYGXJZNJGDN-UHFFFAOYSA-N 0 2 384.408 3.470 10 0 GGAELN O=C(N=c1nc(-c2ccsc2)[nH]s1)NCCOc1ccc(F)cc1F ZINC000448003145 566453553 /nfs/dbraw/zinc/45/35/53/566453553.db2.gz YVQGHDPAHRZEEW-UHFFFAOYSA-N 0 2 382.417 3.167 10 0 GGAELN CCCOc1ncccc1CNC(=O)N=c1nc(-c2ccsc2)[nH]s1 ZINC000448006148 566453721 /nfs/dbraw/zinc/45/37/21/566453721.db2.gz BSCMGFKVELXPGW-UHFFFAOYSA-N 0 2 375.479 3.194 10 0 GGAELN COCCOc1cccc(NC(=O)N=c2nc(-c3ccsc3)[nH]s2)c1 ZINC000448007548 566454064 /nfs/dbraw/zinc/45/40/64/566454064.db2.gz IXKSUXPJTNMWMR-UHFFFAOYSA-N 0 2 376.463 3.358 10 0 GGAELN CC[C@@H](NC(=O)N=c1nc(-c2ccsc2)[nH]s1)c1c(C)nn(C)c1C ZINC000448003487 566454255 /nfs/dbraw/zinc/45/42/55/566454255.db2.gz IBDGFCIPGJTZKL-GFCCVEGCSA-N 0 2 376.511 3.312 10 0 GGAELN CN(C)c1cccc(NS(=O)(=O)c2cccc(Br)c2Cl)n1 ZINC000577687769 566456322 /nfs/dbraw/zinc/45/63/22/566456322.db2.gz PXLFLHZOXYWENH-UHFFFAOYSA-N 0 2 390.690 3.364 10 0 GGAELN COCc1csc(NS(=O)(=O)c2sc(Br)cc2C)n1 ZINC000650453568 566456461 /nfs/dbraw/zinc/45/64/61/566456461.db2.gz QBOAQZFRYLZUJX-UHFFFAOYSA-N 0 2 383.314 3.223 10 0 GGAELN Cc1cc(Br)sc1S(=O)(=O)Nc1cnc(CC2CC2)nc1 ZINC000650460665 566457562 /nfs/dbraw/zinc/45/75/62/566457562.db2.gz OFJZMGZJSNQXCE-UHFFFAOYSA-N 0 2 388.312 3.362 10 0 GGAELN CC(C)n1cnc(NS(=O)(=O)Cc2ccc(Br)cc2Cl)n1 ZINC000650485778 566459381 /nfs/dbraw/zinc/45/93/81/566459381.db2.gz AUCXHISCOMHERW-UHFFFAOYSA-N 0 2 393.694 3.217 10 0 GGAELN CCc1ccncc1NS(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1OC ZINC000650492811 566460342 /nfs/dbraw/zinc/46/03/42/566460342.db2.gz ZRHDDJVYQWHLNN-UHFFFAOYSA-N 0 2 383.857 3.065 10 0 GGAELN CC(C)(C)c1ccc(S(=O)(=O)Nc2nc3c(s2)C(=O)NC(C)(C)C3)s1 ZINC000650494497 566460374 /nfs/dbraw/zinc/46/03/74/566460374.db2.gz IUEVTNUQKDVGFF-UHFFFAOYSA-N 0 2 399.563 3.367 10 0 GGAELN Cc1cnc(C)c(NS(=O)(=O)c2cc(Br)cc3c2OCC3)c1 ZINC000650489762 566460448 /nfs/dbraw/zinc/46/04/48/566460448.db2.gz XISIYZGWFRCVCF-UHFFFAOYSA-N 0 2 383.267 3.197 10 0 GGAELN C[C@H](Cc1ccc(Br)cc1)NC(=O)N=c1ccc(C2CC2)n[nH]1 ZINC000448150922 566460580 /nfs/dbraw/zinc/46/05/80/566460580.db2.gz HWTCTMJVJNWZDI-LLVKDONJSA-N 0 2 375.270 3.291 10 0 GGAELN CC(C)n1cnc(NS(=O)(=O)c2cc(Cl)c(Br)cc2F)n1 ZINC000650487792 566460885 /nfs/dbraw/zinc/46/08/85/566460885.db2.gz QZEIYQAIZYLUHR-UHFFFAOYSA-N 0 2 397.657 3.215 10 0 GGAELN Cc1cnc(C)c(NS(=O)(=O)c2cc(N(C)C)ccc2Br)c1 ZINC000650489628 566461019 /nfs/dbraw/zinc/46/10/19/566461019.db2.gz SLTUMMDTJLJKIT-UHFFFAOYSA-N 0 2 384.299 3.328 10 0 GGAELN CC(C)n1cnc(NS(=O)(=O)Cc2ccc(Cl)cc2Br)n1 ZINC000650488061 566461568 /nfs/dbraw/zinc/46/15/68/566461568.db2.gz XTDMJUWMOYSLSE-UHFFFAOYSA-N 0 2 393.694 3.217 10 0 GGAELN Cc1c(Br)ccc(C(=O)N=c2nc(-c3cccnc3)[nH]s2)c1F ZINC000448194136 566462822 /nfs/dbraw/zinc/46/28/22/566462822.db2.gz RBALJTCIQJGZPC-UHFFFAOYSA-N 0 2 393.241 3.484 10 0 GGAELN O=C(Cc1csc2ccc(Cl)cc12)N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000537731413 566466170 /nfs/dbraw/zinc/46/61/70/566466170.db2.gz RPFXVKBWVZHTOH-UHFFFAOYSA-N 0 2 376.869 3.327 10 0 GGAELN C[C@H](NC(=O)c1cc(Br)c(F)cc1O)c1nnc2n1CCCCC2 ZINC000448648505 566484482 /nfs/dbraw/zinc/48/44/82/566484482.db2.gz QLEDKWROEGFWKH-VIFPVBQESA-N 0 2 397.248 3.103 10 0 GGAELN CC[C@H](C)Oc1cccc(NS(=O)(=O)c2ccccc2S(C)(=O)=O)c1 ZINC000511733440 566485396 /nfs/dbraw/zinc/48/53/96/566485396.db2.gz FXRYZEWYAVSZGF-ZDUSSCGKSA-N 0 2 383.491 3.068 10 0 GGAELN COC(=O)c1ccccc1NS(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000485373250 566492648 /nfs/dbraw/zinc/49/26/48/566492648.db2.gz AIAVOCDBLJWPRG-UHFFFAOYSA-N 0 2 377.315 3.432 10 0 GGAELN Cn1ncc(Cl)c1S(=O)(=O)Nc1ccc(Sc2ccncc2)cc1 ZINC000485391172 566493257 /nfs/dbraw/zinc/49/32/57/566493257.db2.gz PPHCQCXNQRHIOY-UHFFFAOYSA-N 0 2 380.882 3.421 10 0 GGAELN COCCOc1ncccc1NS(=O)(=O)c1ccc(Cl)cc1Cl ZINC000485393314 566493775 /nfs/dbraw/zinc/49/37/75/566493775.db2.gz MAPAZBOEFVIXQL-UHFFFAOYSA-N 0 2 377.249 3.214 10 0 GGAELN CCOC(=O)c1cc2cc(NS(=O)(=O)c3c(Cl)cnn3C)ccc2s1 ZINC000485393849 566494258 /nfs/dbraw/zinc/49/42/58/566494258.db2.gz QRHCNUAXOJDMQC-UHFFFAOYSA-N 0 2 399.881 3.266 10 0 GGAELN Cn1ncc(Cl)c1S(=O)(=O)Nc1ccccc1COc1ccccc1 ZINC000485390935 566494337 /nfs/dbraw/zinc/49/43/37/566494337.db2.gz SBPUQTUWNOFQAW-UHFFFAOYSA-N 0 2 377.853 3.453 10 0 GGAELN CCCOc1ccc(NS(=O)(=O)c2c(Cl)cnn2C)cc1OCCC ZINC000485396570 566496068 /nfs/dbraw/zinc/49/60/68/566496068.db2.gz XJHLRQDNCVMDSA-UHFFFAOYSA-N 0 2 387.889 3.452 10 0 GGAELN COCn1nc(C)c(S(=O)(=O)Nc2cccc(-c3nccs3)c2)c1C ZINC000424061533 566505776 /nfs/dbraw/zinc/50/57/76/566505776.db2.gz FNPFHEKMIISFOL-UHFFFAOYSA-N 0 2 378.479 3.028 10 0 GGAELN COCn1nc(C)c(S(=O)(=O)Nc2ccc(Cl)c(OC(F)F)c2)c1C ZINC000424061819 566506183 /nfs/dbraw/zinc/50/61/83/566506183.db2.gz JUAZGCZFZAZSEY-UHFFFAOYSA-N 0 2 395.815 3.159 10 0 GGAELN COCn1nc(C)c(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2C)c1C ZINC000424062793 566507560 /nfs/dbraw/zinc/50/75/60/566507560.db2.gz LIBRBVOXCKNMJF-UHFFFAOYSA-N 0 2 377.388 3.232 10 0 GGAELN CCc1noc2ncc(S(=O)(=O)Nc3ccc(Cl)cc3COC)cc12 ZINC000424086131 566511105 /nfs/dbraw/zinc/51/11/05/566511105.db2.gz QAXKTKPBODGDDP-UHFFFAOYSA-N 0 2 381.841 3.386 10 0 GGAELN COCc1cc(Cl)ccc1NS(=O)(=O)c1cc(OC)c(OC)cc1F ZINC000424091131 566511144 /nfs/dbraw/zinc/51/11/44/566511144.db2.gz ZCVORTWPSZSJAM-UHFFFAOYSA-N 0 2 389.832 3.444 10 0 GGAELN CCc1cc(C(=O)OC)c(NS(=O)(=O)Cc2ccccc2COC)s1 ZINC000424224634 566522189 /nfs/dbraw/zinc/52/21/89/566522189.db2.gz SOWAQBQYSJIQJG-UHFFFAOYSA-N 0 2 383.491 3.185 10 0 GGAELN CCc1cc(C(=O)OC)c(NS(=O)(=O)c2ccc(C(F)(F)F)nc2)s1 ZINC000424226177 566522284 /nfs/dbraw/zinc/52/22/84/566522284.db2.gz WWWSXIGAWSRPQG-UHFFFAOYSA-N 0 2 394.396 3.312 10 0 GGAELN C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)[C@@H]1C(=O)[O-] ZINC000424260382 566523599 /nfs/dbraw/zinc/52/35/99/566523599.db2.gz DKRAFEVUTJZTQD-OTYXRUKQSA-N 0 2 378.778 3.482 10 0 GGAELN C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)[C@@H]1C(=O)[O-] ZINC000424260382 566523601 /nfs/dbraw/zinc/52/36/01/566523601.db2.gz DKRAFEVUTJZTQD-OTYXRUKQSA-N 0 2 378.778 3.482 10 0 GGAELN COc1cccc(-c2nsc(NS(=O)(=O)c3cc(Cl)ccc3C)n2)c1 ZINC000512342592 566527994 /nfs/dbraw/zinc/52/79/94/566527994.db2.gz KWXJMLJAGZCHCM-UHFFFAOYSA-N 0 2 395.893 3.398 10 0 GGAELN CCc1onc(C)c1C(=O)Nc1nc(-c2ccccc2Br)n[nH]1 ZINC000603556310 566534602 /nfs/dbraw/zinc/53/46/02/566534602.db2.gz XWLAMPHEUXQHFV-UHFFFAOYSA-N 0 2 376.214 3.345 10 0 GGAELN Cc1nn(C(C)C)c(C)c1S(=O)(=O)Nc1cc(-c2ccsc2)nn1C ZINC000578591262 566537226 /nfs/dbraw/zinc/53/72/26/566537226.db2.gz KORAUXUAPPHTMH-UHFFFAOYSA-N 0 2 379.511 3.344 10 0 GGAELN CCc1ncc(NS(=O)(=O)c2cc(Br)cc3cccnc32)cn1 ZINC000673479295 566537784 /nfs/dbraw/zinc/53/77/84/566537784.db2.gz BHGVRQZPWATWCV-UHFFFAOYSA-N 0 2 393.266 3.151 10 0 GGAELN COCc1cnc(CNc2cccc(S(=O)(=O)Nc3nccs3)c2)s1 ZINC000512651770 566547549 /nfs/dbraw/zinc/54/75/49/566547549.db2.gz BHPDIJGTOXNWOI-UHFFFAOYSA-N 0 2 396.519 3.159 10 0 GGAELN O=S(=O)(N[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F)c1cscn1 ZINC000578744815 566550796 /nfs/dbraw/zinc/55/07/96/566550796.db2.gz YIDAGMWKSXDWLD-JTQLQIEISA-N 0 2 388.339 3.326 10 0 GGAELN COc1cccc(S(O)=CC(=O)N2CC[C@@H](c3ccc(Cl)cc3)C2)c1 ZINC000424665152 566555316 /nfs/dbraw/zinc/55/53/16/566555316.db2.gz NDCSCHRSQRLFBF-BZQUYTCOSA-N 0 2 377.893 3.472 10 0 GGAELN COC(=O)c1cccc2[nH]c(NS(=O)(=O)c3cccc(Cl)c3C)nc21 ZINC000512935675 566569502 /nfs/dbraw/zinc/56/95/02/566569502.db2.gz JTJZCCNYZDUAMH-UHFFFAOYSA-N 0 2 379.825 3.112 10 0 GGAELN CC(C)c1ccc(Cl)c(S(=O)(=O)Nc2cnn(-c3ncccn3)c2)c1 ZINC000560012306 566585948 /nfs/dbraw/zinc/58/59/48/566585948.db2.gz OYSPNVYANLQYMI-UHFFFAOYSA-N 0 2 377.857 3.240 10 0 GGAELN O=C(CNC(=O)c1cc(Br)c(F)cc1O)C1CCC(F)(F)CC1 ZINC000424898134 566586249 /nfs/dbraw/zinc/58/62/49/566586249.db2.gz SMQGGDBLBCEHHM-UHFFFAOYSA-N 0 2 394.187 3.418 10 0 GGAELN C[C@@H]1Cc2cc(S(=O)(=O)Nc3cc(-c4ccsc4)nn3C)ccc2O1 ZINC000486549072 566597365 /nfs/dbraw/zinc/59/73/65/566597365.db2.gz LDNXWBXGFMJMCQ-LLVKDONJSA-N 0 2 375.475 3.273 10 0 GGAELN O=S(=O)(Nc1nc2cc(F)ccc2[nH]1)c1ccc(F)c(Br)c1 ZINC000486549959 566597731 /nfs/dbraw/zinc/59/77/31/566597731.db2.gz PJIPPRJZRQZCSB-UHFFFAOYSA-N 0 2 388.193 3.404 10 0 GGAELN O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)[C@@H]1CCC[C@H](F)C1 ZINC000425144030 566608027 /nfs/dbraw/zinc/60/80/27/566608027.db2.gz CAJYTLOQFADSPS-NEPJUHHUSA-N 0 2 383.470 3.411 10 0 GGAELN O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)[C@H]1CCC[C@H](F)C1 ZINC000425144032 566608293 /nfs/dbraw/zinc/60/82/93/566608293.db2.gz CAJYTLOQFADSPS-RYUDHWBXSA-N 0 2 383.470 3.411 10 0 GGAELN O=C(N=c1cccn[nH]1)c1cccnc1Oc1ccc(F)cc1Br ZINC000605468519 566608503 /nfs/dbraw/zinc/60/85/03/566608503.db2.gz ZMTCOJJFDWDICI-UHFFFAOYSA-N 0 2 389.184 3.240 10 0 GGAELN O=S(=O)(Nc1ncc(C2CCOCC2)s1)c1cnccc1C(F)(F)F ZINC000560254217 566610068 /nfs/dbraw/zinc/61/00/68/566610068.db2.gz GTHRORGZGFLSHD-UHFFFAOYSA-N 0 2 393.412 3.252 10 0 GGAELN O=C([C@H]1C[C@@H]1c1ccc(Cl)cc1Cl)N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000539925004 566613463 /nfs/dbraw/zinc/61/34/63/566613463.db2.gz OPBALOLDYKCPER-OLZOCXBDSA-N 0 2 381.263 3.327 10 0 GGAELN O=C([C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1)N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000539928761 566615077 /nfs/dbraw/zinc/61/50/77/566615077.db2.gz GHPGEQKCHOJLAB-ZIAGYGMSSA-N 0 2 381.263 3.327 10 0 GGAELN CC(C)CN(Cc1cnn(C)c1)C(=O)N=c1nc(-c2ccsc2)[nH]s1 ZINC000560423530 566625623 /nfs/dbraw/zinc/62/56/23/566625623.db2.gz RSNMTZSUKAJQLL-UHFFFAOYSA-N 0 2 376.511 3.112 10 0 GGAELN O=S(=O)(Nc1c[nH]nc1-c1ccccn1)c1ccc(F)c(Br)c1 ZINC000540077739 566627396 /nfs/dbraw/zinc/62/73/96/566627396.db2.gz KWQQYRRVVSLWJJ-UHFFFAOYSA-N 0 2 397.229 3.174 10 0 GGAELN COC(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2O)c(Cl)c1 ZINC000513817957 566627707 /nfs/dbraw/zinc/62/77/07/566627707.db2.gz SNTUZJLWPJNRIC-UHFFFAOYSA-N 0 2 376.217 3.286 10 0 GGAELN O=S(=O)(Nc1c[nH]nc1-c1ccccn1)c1ccc(Br)c(F)c1 ZINC000540076889 566628234 /nfs/dbraw/zinc/62/82/34/566628234.db2.gz GYBRMJLICKTSML-UHFFFAOYSA-N 0 2 397.229 3.174 10 0 GGAELN CO[C@H](C)c1nc(CNC(=O)c2cc(Br)c(F)cc2O)cs1 ZINC000450078744 566630331 /nfs/dbraw/zinc/63/03/31/566630331.db2.gz QDMLXZVLRKVHLV-SSDOTTSWSA-N 0 2 389.246 3.388 10 0 GGAELN CC(C)(C)OC(=O)[C@H]1CCCN1C(=O)c1cc(Br)c(F)cc1O ZINC000450088075 566632270 /nfs/dbraw/zinc/63/22/70/566632270.db2.gz FMUATEIFLCWVRB-GFCCVEGCSA-N 0 2 388.233 3.240 10 0 GGAELN CCOc1cc(Br)ccc1NS(=O)(=O)C[C@@H](OCC)C1CC1 ZINC000629288582 566635010 /nfs/dbraw/zinc/63/50/10/566635010.db2.gz CKBSVNVYFARYOV-OAHLLOKOSA-N 0 2 392.315 3.405 10 0 GGAELN CCCn1nccc1NS(=O)(=O)c1cc(F)c(Br)cc1C ZINC000629288125 566635511 /nfs/dbraw/zinc/63/55/11/566635511.db2.gz KPPLHPZLWLCGHB-UHFFFAOYSA-N 0 2 376.251 3.304 10 0 GGAELN CO[C@H](Cc1ccc(F)cc1)CS(=O)(=O)Nc1cc(F)cc(Cl)c1O ZINC000629293200 566636837 /nfs/dbraw/zinc/63/68/37/566636837.db2.gz GMWXJGFLOQRAEP-CYBMUJFWSA-N 0 2 391.823 3.323 10 0 GGAELN CCO[C@@H](CS(=O)(=O)Nc1cc(C)cc(Br)c1O)C1CC1 ZINC000629291978 566637323 /nfs/dbraw/zinc/63/73/23/566637323.db2.gz UPYPKSRNKBVVKS-ZDUSSCGKSA-N 0 2 378.288 3.020 10 0 GGAELN Cn1ccnc1C[C@H]1CCCN(C(=O)c2cc(Br)c(F)cc2O)C1 ZINC000450144973 566638333 /nfs/dbraw/zinc/63/83/33/566638333.db2.gz QGZZJLTWYJBXBE-LLVKDONJSA-N 0 2 396.260 3.122 10 0 GGAELN COCCN(Cc1ccc(C)o1)C(=O)c1cc(Br)c(F)cc1O ZINC000450164742 566641234 /nfs/dbraw/zinc/64/12/34/566641234.db2.gz XFCDAXTZDBCBAB-UHFFFAOYSA-N 0 2 386.217 3.484 10 0 GGAELN Cc1ccc(S(=O)(=O)Nc2ccccc2S(=O)(=O)C(C)C)c(F)c1F ZINC000629350233 566647630 /nfs/dbraw/zinc/64/76/30/566647630.db2.gz JPJWIJRYSGYQLO-UHFFFAOYSA-N 0 2 389.445 3.256 10 0 GGAELN CO[C@@H](CS(=O)(=O)Nc1cc(C(F)(F)F)ccn1)c1ccc(F)cc1 ZINC000629350128 566647911 /nfs/dbraw/zinc/64/79/11/566647911.db2.gz GQOOHZOWYFWBQD-ZDUSSCGKSA-N 0 2 378.347 3.369 10 0 GGAELN CO[C@H](Cc1ccc(F)cc1)CS(=O)(=O)Nc1nc2c(s1)CCCC2 ZINC000629347351 566647952 /nfs/dbraw/zinc/64/79/52/566647952.db2.gz TWDMCBOUHWMHPZ-CQSZACIVSA-N 0 2 384.498 3.160 10 0 GGAELN CO[C@@H](Cc1ccc(F)cc1)CS(=O)(=O)Nc1nc2c(s1)CCCC2 ZINC000629347350 566648363 /nfs/dbraw/zinc/64/83/63/566648363.db2.gz TWDMCBOUHWMHPZ-AWEZNQCLSA-N 0 2 384.498 3.160 10 0 GGAELN Cc1cc(S(=O)(=O)Nc2cc(C3CCOCC3)nn2C)c(Cl)cc1F ZINC000629352906 566649580 /nfs/dbraw/zinc/64/95/80/566649580.db2.gz RVVQDJWRYLYZPS-UHFFFAOYSA-N 0 2 387.864 3.216 10 0 GGAELN CCOc1ccc(Br)cc1S(=O)(=O)Nc1cc(C)nn1CC ZINC000629352387 566650013 /nfs/dbraw/zinc/65/00/13/566650013.db2.gz FSPIHMYGIQQQNK-UHFFFAOYSA-N 0 2 388.287 3.173 10 0 GGAELN O=C([O-])[C@@H]1CC[N@H+](Cc2nc3ccc(Br)cc3[nH]2)[C@@H]2CCC[C@@H]21 ZINC000629377212 566653170 /nfs/dbraw/zinc/65/31/70/566653170.db2.gz MBDIDLXGSPRCOE-LALPHHSUSA-N 0 2 378.270 3.401 10 0 GGAELN O=C([O-])[C@@H]1CC[N@@H+](Cc2nc3ccc(Br)cc3[nH]2)[C@@H]2CCC[C@@H]21 ZINC000629377212 566653172 /nfs/dbraw/zinc/65/31/72/566653172.db2.gz MBDIDLXGSPRCOE-LALPHHSUSA-N 0 2 378.270 3.401 10 0 GGAELN O=C([O-])[C@@H]1CC[N@H+](Cc2nc3ccc(Br)cc3[nH]2)[C@H]2CCC[C@@H]21 ZINC000629377208 566653263 /nfs/dbraw/zinc/65/32/63/566653263.db2.gz MBDIDLXGSPRCOE-JMSVASOKSA-N 0 2 378.270 3.401 10 0 GGAELN O=C([O-])[C@@H]1CC[N@@H+](Cc2nc3ccc(Br)cc3[nH]2)[C@H]2CCC[C@@H]21 ZINC000629377208 566653265 /nfs/dbraw/zinc/65/32/65/566653265.db2.gz MBDIDLXGSPRCOE-JMSVASOKSA-N 0 2 378.270 3.401 10 0 GGAELN C[C@H]1CN(C(=O)c2cc(Br)c(F)cc2O)CCN1CC(F)(F)F ZINC000450298564 566654607 /nfs/dbraw/zinc/65/46/07/566654607.db2.gz BESXRHWPPMGNPY-QMMMGPOBSA-N 0 2 399.182 3.002 10 0 GGAELN Cc1ccc(-c2nnc(NS(=O)(=O)c3cn4c(n3)CCC[C@@H]4C)o2)s1 ZINC000514720352 566664978 /nfs/dbraw/zinc/66/49/78/566664978.db2.gz BIEYYMDGEYLAKD-VIFPVBQESA-N 0 2 379.467 3.001 10 0 GGAELN CCOC(=O)c1csc(NCc2cn3cc(Br)cc(C)c3n2)n1 ZINC000450440146 566670285 /nfs/dbraw/zinc/67/02/85/566670285.db2.gz QAQSOQASGUSPRC-UHFFFAOYSA-N 0 2 395.282 3.072 10 0 GGAELN O=S(=O)(Nc1cc(C2CC2)n[nH]1)c1cc(Br)cc2cccnc21 ZINC000514829364 566672270 /nfs/dbraw/zinc/67/22/70/566672270.db2.gz AVKBSUCVGCXJNW-UHFFFAOYSA-N 0 2 393.266 3.399 10 0 GGAELN COC(=O)CC1(CC(=O)N=c2nc(-c3sccc3C)[nH]s2)CCCC1 ZINC000467884856 566673477 /nfs/dbraw/zinc/67/34/77/566673477.db2.gz GDCBUGQZNCXOMJ-UHFFFAOYSA-N 0 2 379.507 3.449 10 0 GGAELN CCn1nc(C)c(S(=O)(=O)Nc2cccc(OCC(F)(F)F)c2)c1C ZINC000607613255 566676026 /nfs/dbraw/zinc/67/60/26/566676026.db2.gz PSXDAYWPNICHBB-UHFFFAOYSA-N 0 2 377.388 3.262 10 0 GGAELN Cc1ccsc1-c1nc(=NC(=O)Cn2nc(C(F)(F)F)cc2C)s[nH]1 ZINC000580253742 566677713 /nfs/dbraw/zinc/67/77/13/566677713.db2.gz KUGAUPDNUBJUPI-UHFFFAOYSA-N 0 2 387.412 3.159 10 0 GGAELN CCOC(=O)c1csc(N[C@H]2CCOc3c(Br)cccc32)n1 ZINC000450496582 566678183 /nfs/dbraw/zinc/67/81/83/566678183.db2.gz BAASATKOWITHAK-NSHDSACASA-N 0 2 383.267 3.440 10 0 GGAELN Cc1noc(C2(C)CCN(C(=O)c3cc(Br)c(F)cc3O)CC2)n1 ZINC000450514297 566679395 /nfs/dbraw/zinc/67/93/95/566679395.db2.gz CUXLFZCNALESCV-UHFFFAOYSA-N 0 2 398.232 3.179 10 0 GGAELN Cc1ccsc1-c1nc(=NC(=O)N[C@H](C)CCC(=O)OC(C)C)s[nH]1 ZINC000468002100 566679659 /nfs/dbraw/zinc/67/96/59/566679659.db2.gz FDYBTVJIKYWPGV-LLVKDONJSA-N 0 2 382.511 3.239 10 0 GGAELN CN(C)c1noc(-c2ccc(NS(=O)(=O)c3ccc(Cl)s3)cc2)n1 ZINC000676235547 566681198 /nfs/dbraw/zinc/68/11/98/566681198.db2.gz LTLJMBKGJLYXJN-UHFFFAOYSA-N 0 2 384.870 3.318 10 0 GGAELN CCOC(=O)c1cc(C(=O)N=c2nc(-c3sccc3C)[nH]s2)[nH]c1C ZINC000450698590 566697849 /nfs/dbraw/zinc/69/78/49/566697849.db2.gz JLOSSWJUXFCNPW-UHFFFAOYSA-N 0 2 376.463 3.062 10 0 GGAELN CC(=O)NC[C@H](CC(=O)N=c1nc(-c2sccc2C)[nH]s1)CC(C)C ZINC000450700915 566698161 /nfs/dbraw/zinc/69/81/61/566698161.db2.gz NHAPFLZEXRWSRK-ZDUSSCGKSA-N 0 2 380.539 3.124 10 0 GGAELN COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)Nc1cc(O)cc(F)c1 ZINC000468370739 566698656 /nfs/dbraw/zinc/69/86/56/566698656.db2.gz GZYKBPUBVPWJJY-JTQLQIEISA-N 0 2 389.832 3.399 10 0 GGAELN CC(=O)c1ccc(NS(=O)(=O)c2cnc3c(Cl)c(C)nn3c2)cc1Cl ZINC000541163723 566699986 /nfs/dbraw/zinc/69/99/86/566699986.db2.gz FHZPKZCARCJWTI-UHFFFAOYSA-N 0 2 399.259 3.348 10 0 GGAELN COc1cc(OC)c(S(=O)(=O)Nc2ccc(OC)c(Cl)c2)c(OC)c1 ZINC000488230142 566715950 /nfs/dbraw/zinc/71/59/50/566715950.db2.gz KQUJWLHYYCWUQH-UHFFFAOYSA-N 0 2 387.841 3.175 10 0 GGAELN COc1cc(OC)c(S(=O)(=O)Nc2ccc3scnc3c2)c(OC)c1 ZINC000488227152 566716539 /nfs/dbraw/zinc/71/65/39/566716539.db2.gz XDUZHNGSQSBGHD-UHFFFAOYSA-N 0 2 380.447 3.123 10 0 GGAELN CCOC(=O)c1cc(S(=O)(=O)Nc2nc(CC)cs2)cnc1C(F)F ZINC000450968547 566725074 /nfs/dbraw/zinc/72/50/74/566725074.db2.gz KCHXRHYLCJDMIC-UHFFFAOYSA-N 0 2 391.421 3.016 10 0 GGAELN COCc1csc(NS(=O)(=O)c2cc(OC)cc(C(F)(F)F)c2)n1 ZINC000450967351 566725245 /nfs/dbraw/zinc/72/52/45/566725245.db2.gz IFTUSZMIICSYOP-UHFFFAOYSA-N 0 2 382.385 3.118 10 0 GGAELN CCOC(=O)c1cc(S(=O)(=O)Nc2ncc(CC)s2)cnc1C(F)F ZINC000450968411 566725790 /nfs/dbraw/zinc/72/57/90/566725790.db2.gz KDDTXTSIYQNDTF-UHFFFAOYSA-N 0 2 391.421 3.016 10 0 GGAELN COC(=O)c1ncccc1S(=O)(=O)Nc1ccc(OC(C)C)c(Cl)c1 ZINC000450977402 566726422 /nfs/dbraw/zinc/72/64/22/566726422.db2.gz IGCCUHVQMSDLNJ-UHFFFAOYSA-N 0 2 384.841 3.110 10 0 GGAELN COc1cc(C)[nH+]c(CN[C@@H](C(=O)[O-])c2cc(Br)ccc2OC)c1 ZINC000426745522 566726631 /nfs/dbraw/zinc/72/66/31/566726631.db2.gz HCMWDKCTBARVQW-MRXNPFEDSA-N 0 2 395.253 3.085 10 0 GGAELN CCOC(=O)c1cc(S(=O)(=O)Nc2nc(C)c(C)s2)cnc1C(F)F ZINC000450973902 566727689 /nfs/dbraw/zinc/72/76/89/566727689.db2.gz ZMJJHWBSFQOOBZ-UHFFFAOYSA-N 0 2 391.421 3.070 10 0 GGAELN CCCSC[C@H]([NH2+]Cc1nc2cc(C(F)(F)F)ccc2n1C)C(=O)[O-] ZINC000426780779 566728552 /nfs/dbraw/zinc/72/85/52/566728552.db2.gz AJSQRBDAXMALNX-LBPRGKRZSA-N 0 2 375.416 3.278 10 0 GGAELN C[C@@H](Oc1ccccc1NS(=O)(=O)c1c(Cl)cnn1C)C(F)(F)F ZINC000561699585 566730604 /nfs/dbraw/zinc/73/06/04/566730604.db2.gz OQDNFSOIMBAFHQ-MRVPVSSYSA-N 0 2 383.779 3.204 10 0 GGAELN CC[C@H](NS(=O)(=O)Cc1ccc(Br)c(F)c1)C(F)(F)F ZINC000451001277 566731898 /nfs/dbraw/zinc/73/18/98/566731898.db2.gz JILMEIKVNJOIJY-JTQLQIEISA-N 0 2 378.185 3.349 10 0 GGAELN Cc1c(Br)cccc1S(=O)(=O)Nc1ccc(C(F)(F)F)nn1 ZINC000468820779 566733891 /nfs/dbraw/zinc/73/38/91/566733891.db2.gz DCMMDKBHSQHELI-UHFFFAOYSA-N 0 2 396.188 3.367 10 0 GGAELN O=C([O-])[C@H]([NH2+]Cc1csc(-c2cccc(Br)c2)n1)[C@H]1CCCO1 ZINC000630470491 566736664 /nfs/dbraw/zinc/73/66/64/566736664.db2.gz VTBLZKGCBAGEDN-ZIAGYGMSSA-N 0 2 397.294 3.294 10 0 GGAELN O=C([O-])[C@H]([NH2+]Cc1csc(-c2cccc(Br)c2)n1)[C@@H]1CCCO1 ZINC000630470490 566736725 /nfs/dbraw/zinc/73/67/25/566736725.db2.gz VTBLZKGCBAGEDN-UONOGXRCSA-N 0 2 397.294 3.294 10 0 GGAELN CCCc1nnc(NS(=O)(=O)c2cc(Br)cc3cccnc32)o1 ZINC000561766258 566737621 /nfs/dbraw/zinc/73/76/21/566737621.db2.gz VXRIHHHYBCJPIS-UHFFFAOYSA-N 0 2 397.254 3.134 10 0 GGAELN Cc1cc(Br)cc(S(=O)(=O)Nc2ccc(C(F)(F)F)nn2)c1 ZINC000468862626 566738522 /nfs/dbraw/zinc/73/85/22/566738522.db2.gz GAGOYOGGGBUNSI-UHFFFAOYSA-N 0 2 396.188 3.367 10 0 GGAELN COC(=O)C(C)(C)c1csc(NS(=O)(=O)c2cccc(Cl)c2C)n1 ZINC000451042225 566742622 /nfs/dbraw/zinc/74/26/22/566742622.db2.gz VVBZCVQUBQABOB-UHFFFAOYSA-N 0 2 388.898 3.356 10 0 GGAELN O=C([O-])[C@H]1CC[C@H](C(=O)NCc2ccc(Cl)s2)[N@@H+]1Cc1ccccc1 ZINC000630646779 566744939 /nfs/dbraw/zinc/74/49/39/566744939.db2.gz ZSSLSVLJLAEIMU-HUUCEWRRSA-N 0 2 378.881 3.136 10 0 GGAELN O=C([O-])[C@H]1CC[C@H](C(=O)NCc2ccc(Cl)s2)[N@H+]1Cc1ccccc1 ZINC000630646779 566744947 /nfs/dbraw/zinc/74/49/47/566744947.db2.gz ZSSLSVLJLAEIMU-HUUCEWRRSA-N 0 2 378.881 3.136 10 0 GGAELN O=S(=O)(Nc1nc(CC(F)(F)F)cs1)c1ccc(C(F)(F)F)nc1 ZINC000451062561 566747056 /nfs/dbraw/zinc/74/70/56/566747056.db2.gz ZDMWTBRHOMPFIZ-UHFFFAOYSA-N 0 2 391.318 3.463 10 0 GGAELN Cc1sc(Br)cc1S(=O)(=O)Nc1cnn(C)c1C(F)F ZINC000677551221 566751523 /nfs/dbraw/zinc/75/15/23/566751523.db2.gz ZSYUKFCVXMVECL-UHFFFAOYSA-N 0 2 386.243 3.291 10 0 GGAELN C[C@H]1Cc2cc(S(=O)(=O)Nc3cnn(C)c3C(F)F)cc(Cl)c2O1 ZINC000677551566 566751539 /nfs/dbraw/zinc/75/15/39/566751539.db2.gz BPWYKOHTFIVABH-ZETCQYMHSA-N 0 2 377.800 3.135 10 0 GGAELN Cc1cc(S(=O)(=O)Nc2ccn(-c3ncccc3F)n2)c(Cl)cc1F ZINC000677550799 566752091 /nfs/dbraw/zinc/75/20/91/566752091.db2.gz MFWJULNFSGMBLO-UHFFFAOYSA-N 0 2 384.795 3.308 10 0 GGAELN Cn1ncc(NS(=O)(=O)c2ccc(F)c(Br)c2)c1C(F)F ZINC000677552434 566753606 /nfs/dbraw/zinc/75/36/06/566753606.db2.gz RQXPOTLBLPJCPK-UHFFFAOYSA-N 0 2 384.177 3.060 10 0 GGAELN CC(C)(C)c1nc(=NC(=O)Cc2csc(CCC(F)(F)F)n2)s[nH]1 ZINC000630911160 566762754 /nfs/dbraw/zinc/76/27/54/566762754.db2.gz KJNCUNFBAAWFSB-UHFFFAOYSA-N 0 2 378.445 3.390 10 0 GGAELN CC(C)CCc1cc(NS(=O)(=O)c2cc3c(cc2Cl)OCCO3)[nH]n1 ZINC000469124980 566763419 /nfs/dbraw/zinc/76/34/19/566763419.db2.gz ZYHIRROWZCWRGV-UHFFFAOYSA-N 0 2 385.873 3.224 10 0 GGAELN Cc1nc2ccc(S(=O)(=O)Nc3cn(C)nc3C(F)(F)F)cc2s1 ZINC000427317302 566766028 /nfs/dbraw/zinc/76/60/28/566766028.db2.gz VHGRLAGDRPUDSZ-UHFFFAOYSA-N 0 2 376.385 3.158 10 0 GGAELN O=S(=O)(Nc1ccc(Br)cc1O)c1ccc(C(F)(F)F)nc1 ZINC000542008007 566768913 /nfs/dbraw/zinc/76/89/13/566768913.db2.gz DWNRWRZNISNGJR-UHFFFAOYSA-N 0 2 397.172 3.369 10 0 GGAELN CC(C)(C)NS(=O)(=O)CC(=O)Nc1c(O)c(Cl)cc(Cl)c1Cl ZINC000677935225 566770856 /nfs/dbraw/zinc/77/08/56/566770856.db2.gz YIDRGTSONHRSGF-UHFFFAOYSA-N 0 2 389.688 3.009 10 0 GGAELN CC(C)[C@H](NS(=O)(=O)c1ccc(Br)cc1F)C(F)(F)F ZINC000469194074 566770779 /nfs/dbraw/zinc/77/07/79/566770779.db2.gz SSDSWQKYDNWTHE-JTQLQIEISA-N 0 2 378.185 3.453 10 0 GGAELN CC[C@@H](C)c1nnc([C@@H](C)NC(=O)N=c2nc(-c3ccsc3)[nH]s2)[nH]1 ZINC000516620875 566773732 /nfs/dbraw/zinc/77/37/32/566773732.db2.gz PSUAQMFUMHBEJX-RKDXNWHRSA-N 0 2 377.499 3.203 10 0 GGAELN CC[C@@H](C)c1nc([C@@H](C)NC(=O)N=c2nc(-c3ccsc3)[nH]s2)n[nH]1 ZINC000516620875 566773738 /nfs/dbraw/zinc/77/37/38/566773738.db2.gz PSUAQMFUMHBEJX-RKDXNWHRSA-N 0 2 377.499 3.203 10 0 GGAELN CC[C@H](C)c1nnc([C@@H](C)NC(=O)N=c2nc(-c3ccsc3)[nH]s2)[nH]1 ZINC000516620873 566774290 /nfs/dbraw/zinc/77/42/90/566774290.db2.gz PSUAQMFUMHBEJX-DTWKUNHWSA-N 0 2 377.499 3.203 10 0 GGAELN CC[C@H](C)c1nc([C@@H](C)NC(=O)N=c2nc(-c3ccsc3)[nH]s2)n[nH]1 ZINC000516620873 566774295 /nfs/dbraw/zinc/77/42/95/566774295.db2.gz PSUAQMFUMHBEJX-DTWKUNHWSA-N 0 2 377.499 3.203 10 0 GGAELN COc1ccc(Br)cc1S(=O)(=O)Nc1ccnc(SC)c1 ZINC000678029655 566776638 /nfs/dbraw/zinc/77/66/38/566776638.db2.gz CXGVFKQNWRDBSN-UHFFFAOYSA-N 0 2 389.296 3.375 10 0 GGAELN CC(C)(C)n1cnc(NS(=O)(=O)c2ccc(Br)cc2Cl)n1 ZINC000542217947 566784128 /nfs/dbraw/zinc/78/41/28/566784128.db2.gz MWOKKAZNFOWIDX-UHFFFAOYSA-N 0 2 393.694 3.250 10 0 GGAELN CCc1cc(NS(=O)(=O)c2cccc(Br)c2Cl)n(C)n1 ZINC000581580776 566790486 /nfs/dbraw/zinc/79/04/86/566790486.db2.gz UMSQKZKBVFTHMR-UHFFFAOYSA-N 0 2 378.679 3.199 10 0 GGAELN O=c1[nH]nc([C@@H]2CCCN(c3ncc(Br)cc3C(F)(F)F)C2)[nH]1 ZINC000631265650 566794596 /nfs/dbraw/zinc/79/45/96/566794596.db2.gz KNMNLVNDPFLMKO-SSDOTTSWSA-N 0 2 392.179 3.071 10 0 GGAELN Cc1nc2ccc(S(=O)(=O)Nc3nc4cc(F)ccc4n3C)cc2s1 ZINC000427767838 566795502 /nfs/dbraw/zinc/79/55/02/566795502.db2.gz QHPLSRLDEUZDHR-UHFFFAOYSA-N 0 2 376.438 3.431 10 0 GGAELN CC(C)(C)n1cnc(=NC(=O)N(Cc2csc(Br)c2)C2CC2)[nH]1 ZINC000542436562 566800720 /nfs/dbraw/zinc/80/07/20/566800720.db2.gz CDQUPRQNRKFBPG-UHFFFAOYSA-N 0 2 398.330 3.476 10 0 GGAELN CC(C)(C)n1cnc(=NC(=O)NCc2ccc(Br)cc2Cl)[nH]1 ZINC000542432327 566800744 /nfs/dbraw/zinc/80/07/44/566800744.db2.gz DYFNGFZXBGZYBS-UHFFFAOYSA-N 0 2 386.681 3.193 10 0 GGAELN C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)N=c1ncn(C(C)(C)C)[nH]1 ZINC000542432701 566800874 /nfs/dbraw/zinc/80/08/74/566800874.db2.gz IONYGTJJRYFGFY-SNVBAGLBSA-N 0 2 398.280 3.109 10 0 GGAELN Cc1ccsc1-c1nc(=NC(=O)N2CCOC[C@@H]2CC2CCC2)s[nH]1 ZINC000562606176 566805930 /nfs/dbraw/zinc/80/59/30/566805930.db2.gz RCLCASBTNQNJRX-ZDUSSCGKSA-N 0 2 378.523 3.420 10 0 GGAELN CCOC1(C)CN(C(=O)N=c2ccc(-c3ccc(Br)s3)n[nH]2)C1 ZINC000562610931 566806267 /nfs/dbraw/zinc/80/62/67/566806267.db2.gz UHWIOXCDEQMFQH-UHFFFAOYSA-N 0 2 397.298 3.032 10 0 GGAELN O=C(Nc1nc(-c2ccccc2Br)n[nH]1)C(=O)c1ccc(F)cc1 ZINC000542512634 566806408 /nfs/dbraw/zinc/80/64/08/566806408.db2.gz FOVSIYWJCRLXOH-UHFFFAOYSA-N 0 2 389.184 3.195 10 0 GGAELN O=C(Cc1cc(Cl)cc2c1OCC2)N=c1nc(-c2ccsc2)[nH]s1 ZINC000542553285 566810302 /nfs/dbraw/zinc/81/03/02/566810302.db2.gz UDFLVXAACSONFW-UHFFFAOYSA-N 0 2 377.878 3.458 10 0 GGAELN CC(C)(C)OC(=O)CSCC(=O)N=c1nc(-c2cccc(Cl)c2)[nH]s1 ZINC000610153434 566810880 /nfs/dbraw/zinc/81/08/80/566810880.db2.gz QZDYTRAOQURUIN-UHFFFAOYSA-N 0 2 399.925 3.294 10 0 GGAELN O=C(CCNC(=O)[C@@H]1CCc2cc(Br)ccc21)Nc1ccccn1 ZINC000581886320 566812309 /nfs/dbraw/zinc/81/23/09/566812309.db2.gz ZEWMQYQHGYGBBL-OAHLLOKOSA-N 0 2 388.265 3.019 10 0 GGAELN O=C(NC[C@@H]1CCN(CC(F)(F)F)C1)N1CCc2sc(Cl)cc2C1 ZINC000581881093 566812337 /nfs/dbraw/zinc/81/23/37/566812337.db2.gz AOTBISVXHIOWTO-JTQLQIEISA-N 0 2 381.851 3.353 10 0 GGAELN O=C(Nc1nc2ccc(F)cc2[nH]1)c1ccc(I)c(O)c1 ZINC000428035067 566812671 /nfs/dbraw/zinc/81/26/71/566812671.db2.gz DYSHIISYWMEZMP-UHFFFAOYSA-N 0 2 397.147 3.265 10 0 GGAELN O=C(N=c1nc(-c2ccsc2)[nH]s1)N1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000562688754 566813983 /nfs/dbraw/zinc/81/39/83/566813983.db2.gz UJUKBBZNNGLZAM-UONOGXRCSA-N 0 2 378.523 3.093 10 0 GGAELN COc1cccc(-c2nc(=NC(=O)NCCSCC(F)(F)F)s[nH]2)c1 ZINC000542686870 566816519 /nfs/dbraw/zinc/81/65/19/566816519.db2.gz WOMRJPLGAHTGSO-UHFFFAOYSA-N 0 2 392.428 3.053 10 0 GGAELN CO[C@@H](C)CS(=O)(=O)Nc1cc(Br)cc(C(C)(C)C)c1O ZINC000655589710 566818296 /nfs/dbraw/zinc/81/82/96/566818296.db2.gz ZVMJYDMHQLNBOC-VIFPVBQESA-N 0 2 380.304 3.229 10 0 GGAELN COc1cc(NS(=O)(=O)c2c(Cl)cnn2C)c(C2CC2)cc1Cl ZINC000655602938 566819852 /nfs/dbraw/zinc/81/98/52/566819852.db2.gz PIWXNRVJPWWAHB-UHFFFAOYSA-N 0 2 376.265 3.414 10 0 GGAELN CC(=O)N[C@H](C)c1ccc(S(=O)(=O)Nc2cccc(N(C)C)c2C)s1 ZINC000678922516 566825728 /nfs/dbraw/zinc/82/57/28/566825728.db2.gz QHPMJGFMYLYOMA-GFCCVEGCSA-N 0 2 381.523 3.120 10 0 GGAELN Cc1ncsc1CCS(=O)(=O)N[C@H](c1cc(F)ccc1F)C(F)F ZINC000451483837 566825870 /nfs/dbraw/zinc/82/58/70/566825870.db2.gz WEKLSYKRQGSKCD-CYBMUJFWSA-N 0 2 382.404 3.198 10 0 GGAELN O=S(=O)(N[C@H](C[C@@H]1CCCO1)C(F)(F)F)c1cc2cc(F)ccc2o1 ZINC000655662377 566829957 /nfs/dbraw/zinc/82/99/57/566829957.db2.gz QTZUHOXXWJIUOY-WCQYABFASA-N 0 2 381.347 3.350 10 0 GGAELN CO[C@H](CS(=O)(=O)Nc1cccc2c(Br)ccnc12)C1CC1 ZINC000582122713 566832920 /nfs/dbraw/zinc/83/29/20/566832920.db2.gz WVKBFYARGATEIP-CQSZACIVSA-N 0 2 385.283 3.164 10 0 GGAELN Cc1ccc(S(=O)(=O)Nc2cc([C@H]3CCCO3)[nH]n2)cc1C(F)(F)F ZINC000582156881 566835457 /nfs/dbraw/zinc/83/54/57/566835457.db2.gz NETXJRNPWBDOBS-CYBMUJFWSA-N 0 2 375.372 3.389 10 0 GGAELN COC(=O)c1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)cn1 ZINC000542941264 566841312 /nfs/dbraw/zinc/84/13/12/566841312.db2.gz XGZXKHMWYANUFC-UHFFFAOYSA-N 0 2 394.758 3.341 10 0 GGAELN Cc1cc(NS(=O)(=O)c2c(Cl)cccc2Cl)ccc1OCCO ZINC000542981543 566843267 /nfs/dbraw/zinc/84/32/67/566843267.db2.gz QILAQBUEBJBHAQ-UHFFFAOYSA-N 0 2 376.261 3.474 10 0 GGAELN C[C@H]1CCN(C(=O)c2cccc(NS(=O)(=O)c3cccs3)c2)C[C@H]1F ZINC000679246594 566844349 /nfs/dbraw/zinc/84/43/49/566844349.db2.gz BVTCIHJHWWWMIQ-SWLSCSKDSA-N 0 2 382.482 3.369 10 0 GGAELN CN(C[C@@H]1CCCO1)C(=O)N=c1ccc(-c2ccc(Br)s2)n[nH]1 ZINC000582278955 566847202 /nfs/dbraw/zinc/84/72/02/566847202.db2.gz YTJQOLMMEYQTIB-JTQLQIEISA-N 0 2 397.298 3.032 10 0 GGAELN O=S(=O)(N[C@H](c1ccccc1OC(F)F)C(F)(F)F)c1cscn1 ZINC000563063607 566851138 /nfs/dbraw/zinc/85/11/38/566851138.db2.gz QHINAZBMNRHENA-SNVBAGLBSA-N 0 2 388.339 3.326 10 0 GGAELN O=S(=O)(N[C@H](c1ccccc1)[C@@H]1CCOC1)c1onc(C2CC2)c1Cl ZINC000632177192 566858633 /nfs/dbraw/zinc/85/86/33/566858633.db2.gz NSKMGZWMXURUGS-UKRRQHHQSA-N 0 2 382.869 3.262 10 0 GGAELN O=C([O-])c1ccccc1OCC[N@@H+]1CCOc2cccc(Br)c2C1 ZINC000655933001 566860802 /nfs/dbraw/zinc/86/08/02/566860802.db2.gz DMOGKRJJZGIYQP-UHFFFAOYSA-N 0 2 392.249 3.421 10 0 GGAELN O=C([O-])c1ccccc1OCC[N@H+]1CCOc2cccc(Br)c2C1 ZINC000655933001 566860806 /nfs/dbraw/zinc/86/08/06/566860806.db2.gz DMOGKRJJZGIYQP-UHFFFAOYSA-N 0 2 392.249 3.421 10 0 GGAELN CC(C)(C)n1cnc(=NC(=O)NC2(c3ccc(Br)cc3)CC2)[nH]1 ZINC000543363443 566873698 /nfs/dbraw/zinc/87/36/98/566873698.db2.gz NPSYAJMHTYDIKL-UHFFFAOYSA-N 0 2 378.274 3.028 10 0 GGAELN O=C(N[C@H](CCO)c1ccccc1Br)c1c(O)cc(F)cc1F ZINC000679825145 566875089 /nfs/dbraw/zinc/87/50/89/566875089.db2.gz DJOWFUPQVZPMOF-CYBMUJFWSA-N 0 2 386.192 3.286 10 0 GGAELN O=C(N=c1nc(-c2ccsc2)[nH]s1)c1cn(-c2ccc(Cl)cc2)nn1 ZINC000518282287 566875804 /nfs/dbraw/zinc/87/58/04/566875804.db2.gz YLNSLIRNBZNGTP-UHFFFAOYSA-N 0 2 388.865 3.175 10 0 GGAELN CCCOc1ccc(OCC(=O)N=c2nc(-c3ccsc3)[nH]s2)cc1 ZINC000518280771 566876085 /nfs/dbraw/zinc/87/60/85/566876085.db2.gz NLBRXJCECSXTDC-UHFFFAOYSA-N 0 2 375.475 3.495 10 0 GGAELN Cn1cc([C@@H]2CN(C(=O)c3cc(Br)c(F)cc3O)CC2(C)C)cn1 ZINC000563395229 566881313 /nfs/dbraw/zinc/88/13/13/566881313.db2.gz CFTUVOYJSCCAOZ-LBPRGKRZSA-N 0 2 396.260 3.293 10 0 GGAELN Cn1cc([C@H]2CN(C(=O)c3cc(Br)c(F)cc3O)CC2(C)C)cn1 ZINC000563395228 566881933 /nfs/dbraw/zinc/88/19/33/566881933.db2.gz CFTUVOYJSCCAOZ-GFCCVEGCSA-N 0 2 396.260 3.293 10 0 GGAELN CC(C)Oc1cncc(NS(=O)(=O)c2ccc(CC(F)(F)F)cc2)n1 ZINC000656186657 566882584 /nfs/dbraw/zinc/88/25/84/566882584.db2.gz MJHRLTBIRLGQCJ-UHFFFAOYSA-N 0 2 375.372 3.169 10 0 GGAELN COc1cccc2nc(NS(=O)(=O)c3cn4c(n3)CCC[C@@H]4C)sc21 ZINC000656187269 566882671 /nfs/dbraw/zinc/88/26/71/566882671.db2.gz SQUUCPGHEIDCEG-JTQLQIEISA-N 0 2 378.479 3.200 10 0 GGAELN CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@H]2CCCC23CC3)c(F)c1Cl ZINC000632614271 566898459 /nfs/dbraw/zinc/89/84/59/566898459.db2.gz FUOPXAPGMYUGQL-NSHDSACASA-N 0 2 378.828 3.188 10 0 GGAELN O=C(NCC1CCN(CC(F)F)CC1)c1cc(Br)c(F)cc1O ZINC000518794959 566904548 /nfs/dbraw/zinc/90/45/48/566904548.db2.gz UAVJVWDLQUDNLJ-UHFFFAOYSA-N 0 2 395.219 3.001 10 0 GGAELN O=S(=O)(Nc1nnc(-c2ccccc2)s1)c1ccc(C(F)(F)F)nc1 ZINC000543857001 566918046 /nfs/dbraw/zinc/91/80/46/566918046.db2.gz SICGFCGZNWEBEK-UHFFFAOYSA-N 0 2 386.380 3.420 10 0 GGAELN Cc1nn(C)cc1S(=O)(=O)Nc1ncc(Cc2cccc(Cl)c2)s1 ZINC000519220357 566927914 /nfs/dbraw/zinc/92/79/14/566927914.db2.gz DTMNEYXPWYJIFF-UHFFFAOYSA-N 0 2 382.898 3.230 10 0 GGAELN COc1cc(C)c(C)cc1NS(=O)(=O)c1cnc2c(Cl)c(C)nn2c1 ZINC000656633814 566928709 /nfs/dbraw/zinc/92/87/09/566928709.db2.gz OMEODPJLWZNXPK-UHFFFAOYSA-N 0 2 380.857 3.117 10 0 GGAELN COCc1ccc(NS(=O)(=O)c2cnn(C(C)C)c2)cc1C(F)(F)F ZINC000656634536 566929523 /nfs/dbraw/zinc/92/95/23/566929523.db2.gz CRXOMPJAPPCPJX-UHFFFAOYSA-N 0 2 377.388 3.430 10 0 GGAELN COC(=O)c1ccc(S(=O)(=O)Nc2cc(F)cc(F)c2OC)c(Cl)c1 ZINC000471121896 566930043 /nfs/dbraw/zinc/93/00/43/566930043.db2.gz VANLQZFIEWZZTK-UHFFFAOYSA-N 0 2 391.779 3.214 10 0 GGAELN CN1CCc2c(NS(=O)(=O)c3ccc(C(C)(C)C)s3)cccc2C1=O ZINC000656635866 566930744 /nfs/dbraw/zinc/93/07/44/566930744.db2.gz LBFHYDKOJNOLBD-UHFFFAOYSA-N 0 2 378.519 3.475 10 0 GGAELN CO[C@@H](CS(=O)(=O)Nc1ccc(Cl)cc1C(F)(F)F)[C@@H]1CCOC1 ZINC000656728738 566938446 /nfs/dbraw/zinc/93/84/46/566938446.db2.gz RSGKASQDRDWFDT-RNCFNFMXSA-N 0 2 387.807 3.152 10 0 GGAELN CO[C@H](CS(=O)(=O)Nc1ccc(Cl)cc1C(F)(F)F)[C@@H]1CCOC1 ZINC000656728736 566939161 /nfs/dbraw/zinc/93/91/61/566939161.db2.gz RSGKASQDRDWFDT-NOZJJQNGSA-N 0 2 387.807 3.152 10 0 GGAELN COc1ccc(F)cc1CNC(=O)N=c1nc(-c2sccc2C)[nH]s1 ZINC000429564767 566939111 /nfs/dbraw/zinc/93/91/11/566939111.db2.gz QJEXXLMEBZZBAM-UHFFFAOYSA-N 0 2 378.454 3.466 10 0 GGAELN CO[C@H](CS(=O)(=O)Nc1ccc(Cl)cc1C(F)(F)F)[C@H]1CCOC1 ZINC000656728740 566939300 /nfs/dbraw/zinc/93/93/00/566939300.db2.gz RSGKASQDRDWFDT-TVQRCGJNSA-N 0 2 387.807 3.152 10 0 GGAELN CCCc1nnc(NS(=O)(=O)c2cc(Cl)cc(Br)c2)o1 ZINC000656729801 566939467 /nfs/dbraw/zinc/93/94/67/566939467.db2.gz ATEILZJKSSAUAY-UHFFFAOYSA-N 0 2 380.651 3.239 10 0 GGAELN CC(C)(C)n1cnc(NS(=O)(=O)c2cc(Cl)cc(Br)c2)n1 ZINC000656731171 566940873 /nfs/dbraw/zinc/94/08/73/566940873.db2.gz JMSXSNHFFMUFDT-UHFFFAOYSA-N 0 2 393.694 3.250 10 0 GGAELN COCc1ccccc1CS(=O)(=O)Nc1nc(-c2cccnc2)cs1 ZINC000519466275 566941102 /nfs/dbraw/zinc/94/11/02/566941102.db2.gz FFRHDSXSFWAIMI-UHFFFAOYSA-N 0 2 375.475 3.293 10 0 GGAELN CC(C)(C)n1cnc(=NC(=O)c2ccn(-c3ccc(Cl)c(Cl)c3)n2)[nH]1 ZINC000544109746 566941208 /nfs/dbraw/zinc/94/12/08/566941208.db2.gz HXOGGJGAMXSUGQ-UHFFFAOYSA-N 0 2 379.251 3.200 10 0 GGAELN CN(C)c1cccc(S(=O)(=O)Nc2nnc(/C=C\c3ccco3)s2)c1 ZINC000492956227 566941912 /nfs/dbraw/zinc/94/19/12/566941912.db2.gz FDMSXANUHMYCBG-HJWRWDBZSA-N 0 2 376.463 3.168 10 0 GGAELN CC(C)CCc1nnc(NS(=O)(=O)c2ccc3c(c2)CCCC3=O)s1 ZINC000656736978 566942166 /nfs/dbraw/zinc/94/21/66/566942166.db2.gz WOGHSRNLFWJDKV-UHFFFAOYSA-N 0 2 379.507 3.447 10 0 GGAELN CCC(=O)Nc1ccc(S(=O)(=O)Nc2nnc(CCC(C)C)s2)cc1 ZINC000656736994 566942296 /nfs/dbraw/zinc/94/22/96/566942296.db2.gz XGKWBGRSNHSATR-UHFFFAOYSA-N 0 2 382.511 3.276 10 0 GGAELN CC(C)CCc1nnc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)s1 ZINC000656736706 566942334 /nfs/dbraw/zinc/94/23/34/566942334.db2.gz ORMWGDIUJQYBBM-UHFFFAOYSA-N 0 2 383.495 3.089 10 0 GGAELN CC(C)CCc1nnc(NS(=O)(=O)c2ccc(C(F)(F)F)nc2)s1 ZINC000656736601 566942462 /nfs/dbraw/zinc/94/24/62/566942462.db2.gz JDHQGMTTXGZIFM-UHFFFAOYSA-N 0 2 380.417 3.341 10 0 GGAELN COc1cc(OC)c(S(=O)(=O)Nc2cncc3c2CCCC3)cc1Cl ZINC000656736903 566942506 /nfs/dbraw/zinc/94/25/06/566942506.db2.gz UALYDNYRLJHXTB-UHFFFAOYSA-N 0 2 382.869 3.432 10 0 GGAELN O=S(=O)(Nc1cncc2c1CCCC2)c1cc2c(cc1Cl)OCCO2 ZINC000656736826 566942820 /nfs/dbraw/zinc/94/28/20/566942820.db2.gz QIMVAQQITWNJJR-UHFFFAOYSA-N 0 2 380.853 3.186 10 0 GGAELN CC(C)CCc1nnc(NS(=O)(=O)c2cccnc2C(F)(F)F)s1 ZINC000656736392 566943252 /nfs/dbraw/zinc/94/32/52/566943252.db2.gz CGJRAUAFRZJMGG-UHFFFAOYSA-N 0 2 380.417 3.341 10 0 GGAELN CO[C@@H](CS(=O)(=O)Nc1ccc(-c2ccc(Cl)s2)nn1)C(C)C ZINC000656739095 566944399 /nfs/dbraw/zinc/94/43/99/566944399.db2.gz LNTKWQPICCKXHK-NSHDSACASA-N 0 2 375.903 3.271 10 0 GGAELN CO[C@H](CS(=O)(=O)Nc1ccc(-c2ccc(Cl)s2)nn1)C(C)C ZINC000656739092 566944468 /nfs/dbraw/zinc/94/44/68/566944468.db2.gz LNTKWQPICCKXHK-LLVKDONJSA-N 0 2 375.903 3.271 10 0 GGAELN CO[C@H](CS(=O)(=O)Nc1cc(Cl)ccc1C(F)(F)F)[C@H]1CCOC1 ZINC000656740433 566944684 /nfs/dbraw/zinc/94/46/84/566944684.db2.gz ZWFPDOXRBNAWEL-TVQRCGJNSA-N 0 2 387.807 3.152 10 0 GGAELN Cc1cnn(C)c1NS(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000656738883 566944944 /nfs/dbraw/zinc/94/49/44/566944944.db2.gz LBYLCJIJOQKLQH-UHFFFAOYSA-N 0 2 398.204 3.311 10 0 GGAELN CCn1ncc(C)c1NS(=O)(=O)c1ccc2c(Br)cn(C)c2c1 ZINC000656741849 566946320 /nfs/dbraw/zinc/94/63/20/566946320.db2.gz XVKSSSYSRQDISV-UHFFFAOYSA-N 0 2 397.298 3.266 10 0 GGAELN Cc1nc2ccc(S(=O)(=O)Nc3cc([C@H]4CCCOC4)[nH]n3)cc2s1 ZINC000564150685 566950663 /nfs/dbraw/zinc/95/06/63/566950663.db2.gz UULITFPGQCWFQC-NSHDSACASA-N 0 2 378.479 3.023 10 0 GGAELN C[C@@H](Cc1cc(Br)ccc1F)NC(=O)N=c1ncn(C(C)(C)C)[nH]1 ZINC000544315770 566953378 /nfs/dbraw/zinc/95/33/78/566953378.db2.gz ZBUXFPUWPDWFBQ-JTQLQIEISA-N 0 2 398.280 3.109 10 0 GGAELN O=C(Nc1nc(-c2ccc(Br)cc2F)n[nH]1)[C@H]1CCCOCC1 ZINC000564219551 566955537 /nfs/dbraw/zinc/95/55/37/566955537.db2.gz NWNIRONLBBUTDB-VIFPVBQESA-N 0 2 383.221 3.129 10 0 GGAELN CN1CCc2ccc(S(=O)(=O)Nc3nnc(-c4ccsc4)s3)cc21 ZINC000471503283 566955945 /nfs/dbraw/zinc/95/59/45/566955945.db2.gz LTWKOVCVCTVCCN-UHFFFAOYSA-N 0 2 378.504 3.060 10 0 GGAELN O=S(=O)(Nc1nnc(-c2ccco2)s1)c1cc2c(cc1Cl)OCCO2 ZINC000471503486 566956812 /nfs/dbraw/zinc/95/68/12/566956812.db2.gz NAJJQPCCBPURCK-UHFFFAOYSA-N 0 2 399.837 3.024 10 0 GGAELN O=C(N=c1nc(-c2cccc(Cl)c2)[nH]s1)NC1(CCO)CCCCC1 ZINC000544634901 566974837 /nfs/dbraw/zinc/97/48/37/566974837.db2.gz BGAWMFDFGIGUDI-UHFFFAOYSA-N 0 2 380.901 3.487 10 0 GGAELN CCn1nccc1S(=O)(=O)Nc1nc2ccc(OC(F)(F)F)cc2s1 ZINC000471900276 566982960 /nfs/dbraw/zinc/98/29/60/566982960.db2.gz QETWKKJEHFODLH-UHFFFAOYSA-N 0 2 392.384 3.212 10 0 GGAELN CC(=O)c1cccc(S(=O)(=O)Nc2nc(-c3sccc3C)ns2)c1 ZINC000471899834 566983479 /nfs/dbraw/zinc/98/34/79/566983479.db2.gz PFIIURINIXYCJU-UHFFFAOYSA-N 0 2 379.488 3.000 10 0 GGAELN CCn1nccc1S(=O)(=O)Nc1ncc(Cc2ccccc2Cl)s1 ZINC000471900846 566983699 /nfs/dbraw/zinc/98/36/99/566983699.db2.gz ROSHVWUHDCLNGW-UHFFFAOYSA-N 0 2 382.898 3.405 10 0 GGAELN CCn1nccc1S(=O)(=O)Nc1cc(Cl)ccc1Sc1nccn1C ZINC000471917303 566984660 /nfs/dbraw/zinc/98/46/60/566984660.db2.gz DQLVVXUUEXETQD-UHFFFAOYSA-N 0 2 397.913 3.242 10 0 GGAELN COC(=O)c1cc(F)c(C)c(S(=O)(=O)Nc2cccc(Cl)c2OC)c1 ZINC000471912077 566984749 /nfs/dbraw/zinc/98/47/49/566984749.db2.gz UFICOPWNIYYZEJ-UHFFFAOYSA-N 0 2 387.816 3.384 10 0 GGAELN CCn1nccc1S(=O)(=O)Nc1cc(Cl)ccc1OCC(F)(F)F ZINC000471902444 566985271 /nfs/dbraw/zinc/98/52/71/566985271.db2.gz MOBKHYCOBYDRKG-UHFFFAOYSA-N 0 2 383.779 3.298 10 0 GGAELN COC(=O)c1cc(F)c(C)c(S(=O)(=O)Nc2nc3c(s2)CCCC3)c1 ZINC000471925344 566986982 /nfs/dbraw/zinc/98/69/82/566986982.db2.gz RMDRMFWLTFDUGX-UHFFFAOYSA-N 0 2 384.454 3.057 10 0 GGAELN CCn1nccc1S(=O)(=O)Nc1ccc2cccc(Br)c2n1 ZINC000471940716 566989337 /nfs/dbraw/zinc/98/93/37/566989337.db2.gz CYDLDWICJBJMHI-UHFFFAOYSA-N 0 2 381.255 3.015 10 0 GGAELN CCn1nccc1S(=O)(=O)Nc1cc(Br)ccc1OC(C)C ZINC000471993057 566993219 /nfs/dbraw/zinc/99/32/19/566993219.db2.gz SCDUBHIYRKBOQQ-UHFFFAOYSA-N 0 2 388.287 3.254 10 0 GGAELN COc1cc(Br)c(CN=c2ccc(OC(C)C)n[nH]2)c(OC)c1 ZINC000583924803 566996333 /nfs/dbraw/zinc/99/63/33/566996333.db2.gz ZCFFLQMDEPXAMQ-UHFFFAOYSA-N 0 2 382.258 3.078 10 0 GGAELN CC(C)(C)c1nc(=NC(=O)c2n[nH]c3ccc(Br)cc32)s[nH]1 ZINC000520336873 566997548 /nfs/dbraw/zinc/99/75/48/566997548.db2.gz ZSSRDRAHLFECDS-UHFFFAOYSA-N 0 2 380.271 3.149 10 0 GGAELN CO[C@@H](CS(=O)(=O)Nc1cc(Br)ccc1OC(C)C)C1CC1 ZINC000584053802 567008426 /nfs/dbraw/zinc/00/84/26/567008426.db2.gz ZHAAWCCYLNAQOU-HNNXBMFYSA-N 0 2 392.315 3.403 10 0 GGAELN COc1ccc(CC(=O)N=c2nc(-c3sccc3C)[nH]s2)cc1OC ZINC000472271180 567014634 /nfs/dbraw/zinc/01/46/34/567014634.db2.gz BAJBRPRWJIPWPF-UHFFFAOYSA-N 0 2 375.475 3.195 10 0 GGAELN Cc1ccsc1-c1nc(=NC(=O)CSCC(=O)OC(C)(C)C)s[nH]1 ZINC000472284941 567015334 /nfs/dbraw/zinc/01/53/34/567015334.db2.gz BXCIZDMYHDVPKW-UHFFFAOYSA-N 0 2 385.536 3.010 10 0 GGAELN O=C(N[C@]12C[C@H]1CCCC2)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000634085168 567016685 /nfs/dbraw/zinc/01/66/85/567016685.db2.gz INSZSZOVNGUDSK-CXAGYDPISA-N 0 2 377.491 3.006 10 0 GGAELN CC(=O)Nc1nc(C)c(S(=O)(=O)Nc2cccc(C(C)(F)F)c2)s1 ZINC000681968561 567018083 /nfs/dbraw/zinc/01/80/83/567018083.db2.gz ZDMQIJCTDYJBPY-UHFFFAOYSA-N 0 2 375.422 3.322 10 0 GGAELN COC(C)(C)c1nc(=NC(=O)c2ncoc2-c2ccccc2Cl)s[nH]1 ZINC000634150897 567019201 /nfs/dbraw/zinc/01/92/01/567019201.db2.gz AWSMSOWRPUPLQO-UHFFFAOYSA-N 0 2 378.841 3.402 10 0 GGAELN COC(C)(C)c1nc(=NC(=O)C2(c3ccccc3Br)CC2)s[nH]1 ZINC000634148521 567019584 /nfs/dbraw/zinc/01/95/84/567019584.db2.gz CIJGIHNQIDHXSS-UHFFFAOYSA-N 0 2 396.310 3.274 10 0 GGAELN Cc1n[nH]c(NS(=O)(=O)c2cc(Br)cc3cccnc32)c1C ZINC000584194890 567020400 /nfs/dbraw/zinc/02/04/00/567020400.db2.gz DNTLAPBMWCXJTE-UHFFFAOYSA-N 0 2 381.255 3.138 10 0 GGAELN Cc1cc(C(=O)N=c2ccc(C3CC3)n[nH]2)nn1-c1ccc(Br)cc1 ZINC000430617497 567024737 /nfs/dbraw/zinc/02/47/37/567024737.db2.gz NCCLKDSHOVQTAO-UHFFFAOYSA-N 0 2 398.264 3.285 10 0 GGAELN CC[C@](C)(NS(=O)(=O)c1c(F)cc(NC(C)=O)c(Cl)c1F)C1CC1 ZINC000657178966 567033441 /nfs/dbraw/zinc/03/34/41/567033441.db2.gz PSGYQZZFRLVFQC-HNNXBMFYSA-N 0 2 380.844 3.434 10 0 GGAELN CCc1ccc2nc(NS(=O)(=O)c3c(C(F)(F)F)cnn3C)sc2c1 ZINC000634656682 567044029 /nfs/dbraw/zinc/04/40/29/567044029.db2.gz AGUNQNTUKDQCME-UHFFFAOYSA-N 0 2 390.412 3.412 10 0 GGAELN Cn1ncc(C(F)(F)F)c1S(=O)(=O)Nc1nc(CC(C)(C)C)cs1 ZINC000634656952 567044113 /nfs/dbraw/zinc/04/41/13/567044113.db2.gz OFLPIHWDKUJXTP-UHFFFAOYSA-N 0 2 382.433 3.285 10 0 GGAELN O=S(=O)(Nc1ncn(C2CCCCC2)n1)c1cscc1Br ZINC000634656840 567044587 /nfs/dbraw/zinc/04/45/87/567044587.db2.gz JREGQAHJFUERJP-UHFFFAOYSA-N 0 2 391.316 3.408 10 0 GGAELN Cc1ccc(C)c2sc(NS(=O)(=O)c3c(C(F)(F)F)cnn3C)nc21 ZINC000634655380 567044842 /nfs/dbraw/zinc/04/48/42/567044842.db2.gz PKEVCQAVJCDXEJ-UHFFFAOYSA-N 0 2 390.412 3.466 10 0 GGAELN CCc1ncc(S(=O)(=O)Nc2nnc(C(F)(F)C(F)(F)F)s2)s1 ZINC000634659299 567046112 /nfs/dbraw/zinc/04/61/12/567046112.db2.gz JIOYHHDWUXFLBB-UHFFFAOYSA-N 0 2 394.372 3.012 10 0 GGAELN C[C@@H]1C[C@@H]1c1nnc(NS(=O)(=O)c2cc(Cl)cc(Br)c2)o1 ZINC000634662457 567048457 /nfs/dbraw/zinc/04/84/57/567048457.db2.gz NGNSXIXCTKVGOH-LDWIPMOCSA-N 0 2 392.662 3.410 10 0 GGAELN COc1cc(Cl)c(S(=O)(=O)Nc2ccnn2CC2CCC2)cc1OC ZINC000634663919 567050117 /nfs/dbraw/zinc/05/01/17/567050117.db2.gz FLKSUJAAPKHVTR-UHFFFAOYSA-N 0 2 385.873 3.155 10 0 GGAELN COc1cccc(CCC(=O)N=c2nc(-c3ccsc3)[nH]s2)c1OC ZINC000521356186 567055823 /nfs/dbraw/zinc/05/58/23/567055823.db2.gz MXAFUNLSQROYPG-UHFFFAOYSA-N 0 2 375.475 3.277 10 0 GGAELN CCOc1cc(CN=c2ccc(OC(C)C)n[nH]2)cc(Br)c1OC ZINC000565335033 567059086 /nfs/dbraw/zinc/05/90/86/567059086.db2.gz GNYVIDHKBVVQAE-UHFFFAOYSA-N 0 2 396.285 3.468 10 0 GGAELN O=C(COc1ccsc1)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000584689632 567061545 /nfs/dbraw/zinc/06/15/45/567061545.db2.gz WDUAUWUTZQSOCZ-UHFFFAOYSA-N 0 2 395.487 3.023 10 0 GGAELN Cc1cc(Br)cc2c(=O)c(-c3noc(Cc4cncnc4)n3)c[nH]c12 ZINC000565365531 567062491 /nfs/dbraw/zinc/06/24/91/567062491.db2.gz BDLPMBWXRWNNSR-UHFFFAOYSA-N 0 2 398.220 3.030 10 0 GGAELN CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+]Cc2c[nH+]c3c(C)cc(Br)cn23)C1 ZINC000657577075 567073290 /nfs/dbraw/zinc/07/32/90/567073290.db2.gz OKXCFHTUWLRGGA-IAOVAPTHSA-N 0 2 396.329 3.061 10 0 GGAELN Cc1cc(F)c(Br)cc1S(=O)(=O)Nc1cnn(C)c1C(F)F ZINC000682871251 567077186 /nfs/dbraw/zinc/07/71/86/567077186.db2.gz VGHWHLWFTKIFMJ-UHFFFAOYSA-N 0 2 398.204 3.369 10 0 GGAELN Cc1cc(S(=O)(=O)Nc2cccc(Cn3cccnc3=O)c2)sc1Cl ZINC000473411249 567078532 /nfs/dbraw/zinc/07/85/32/567078532.db2.gz UFGQSDAWAGTZSY-UHFFFAOYSA-N 0 2 395.893 3.116 10 0 GGAELN COc1nn(C)cc1NS(=O)(=O)c1ccc2nc(C(C)(C)C)sc2c1 ZINC000473482563 567084611 /nfs/dbraw/zinc/08/46/11/567084611.db2.gz QIFPNIUMCQZHEJ-UHFFFAOYSA-N 0 2 380.495 3.137 10 0 GGAELN CCc1noc2ncc(S(=O)(=O)Nc3ncc(C(F)(F)F)s3)cc12 ZINC000473760989 567100882 /nfs/dbraw/zinc/10/08/82/567100882.db2.gz YAUXHOVOWPIALS-UHFFFAOYSA-N 0 2 378.357 3.061 10 0 GGAELN COC(=O)c1cccc(S(=O)(=O)Nc2ncc(C(F)(F)F)s2)c1C ZINC000473758151 567101012 /nfs/dbraw/zinc/10/10/12/567101012.db2.gz MNCILEQHZFDFRD-UHFFFAOYSA-N 0 2 380.369 3.058 10 0 GGAELN CC(=O)Nc1cc(S(=O)(=O)Nc2ncc(C(F)(F)F)s2)ccc1F ZINC000473759793 567101203 /nfs/dbraw/zinc/10/12/03/567101203.db2.gz CTPXIQHXWCMUPD-UHFFFAOYSA-N 0 2 383.348 3.060 10 0 GGAELN CCOC(=O)c1cccc(S(=O)(=O)Nc2ncc(C(F)(F)F)s2)c1 ZINC000473759596 567101408 /nfs/dbraw/zinc/10/14/08/567101408.db2.gz VGDWCIRODJROBG-UHFFFAOYSA-N 0 2 380.369 3.139 10 0 GGAELN CCOC(=O)c1[nH]c(C)c(S(=O)(=O)Nc2ncc(C(F)(F)F)s2)c1C ZINC000473757801 567101801 /nfs/dbraw/zinc/10/18/01/567101801.db2.gz VSPNPPDYEUZKJR-UHFFFAOYSA-N 0 2 397.400 3.084 10 0 GGAELN COC(=O)c1cc(C)c(C)c(S(=O)(=O)Nc2ncc(C(F)(F)F)s2)c1 ZINC000473766144 567101833 /nfs/dbraw/zinc/10/18/33/567101833.db2.gz NYGVLQAVHQXPPV-UHFFFAOYSA-N 0 2 394.396 3.366 10 0 GGAELN COC(=O)c1ccc(S(=O)(=O)Nc2ncc(C(F)(F)F)s2)c(C)c1 ZINC000473757619 567101897 /nfs/dbraw/zinc/10/18/97/567101897.db2.gz ULDPRLLLYASDKW-UHFFFAOYSA-N 0 2 380.369 3.058 10 0 GGAELN Cc1nn(CC(C)C)c(C)c1S(=O)(=O)Nc1ncc(C(F)(F)F)s1 ZINC000473757831 567101927 /nfs/dbraw/zinc/10/19/27/567101927.db2.gz WEHNXQCBFZDIEU-UHFFFAOYSA-N 0 2 382.433 3.432 10 0 GGAELN CSc1cc(CNC(=O)N=c2nc(-c3sccc3C)[nH]s2)ccn1 ZINC000473827800 567104910 /nfs/dbraw/zinc/10/49/10/567104910.db2.gz ILHXXFZNVXLMNT-UHFFFAOYSA-N 0 2 377.520 3.436 10 0 GGAELN Cc1ccsc1-c1nc(=NC(=O)NCCCC(=O)OC(C)(C)C)s[nH]1 ZINC000473831131 567105323 /nfs/dbraw/zinc/10/53/23/567105323.db2.gz VCVBTKKFLAZOTN-UHFFFAOYSA-N 0 2 382.511 3.240 10 0 GGAELN Cc1ccsc1-c1nc(=NC(=O)NCCOc2ccc(F)cc2)s[nH]1 ZINC000473838515 567105995 /nfs/dbraw/zinc/10/59/95/567105995.db2.gz WCGYJIQPBYFPNU-UHFFFAOYSA-N 0 2 378.454 3.337 10 0 GGAELN COc1ccc(CNC(=O)N=c2nc(-c3sccc3C)[nH]s2)c(F)c1 ZINC000473846121 567106035 /nfs/dbraw/zinc/10/60/35/567106035.db2.gz ZFQLQCCCSPRZFS-UHFFFAOYSA-N 0 2 378.454 3.466 10 0 GGAELN Cc1ccsc1-c1nc(=NC(=O)N[C@@H](C)COCC(F)(F)F)s[nH]1 ZINC000473836655 567107047 /nfs/dbraw/zinc/10/70/47/567107047.db2.gz PCTFYZWXOVWABI-QMMMGPOBSA-N 0 2 380.417 3.086 10 0 GGAELN Cc1ccsc1-c1nc(=NC(=O)N[C@H](C)COCC(F)(F)F)s[nH]1 ZINC000473836653 567107137 /nfs/dbraw/zinc/10/71/37/567107137.db2.gz PCTFYZWXOVWABI-MRVPVSSYSA-N 0 2 380.417 3.086 10 0 GGAELN O=C(CCOCC(F)(F)C(F)(F)F)N=c1nc(-c2ccsc2)[nH]s1 ZINC000497582712 567110967 /nfs/dbraw/zinc/11/09/67/567110967.db2.gz PXZNGRZDDCRIRG-UHFFFAOYSA-N 0 2 387.355 3.231 10 0 GGAELN COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@@H]1CCCC1(F)F ZINC000588144647 567116874 /nfs/dbraw/zinc/11/68/74/567116874.db2.gz QDGWFFFMAPXOGO-SNVBAGLBSA-N 0 2 388.219 3.246 10 0 GGAELN CC[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000658061471 567118494 /nfs/dbraw/zinc/11/84/94/567118494.db2.gz OKKBJUBVTZDMEM-GOEBONIOSA-N 0 2 387.977 3.162 10 0 GGAELN CC[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000658061474 567119557 /nfs/dbraw/zinc/11/95/57/567119557.db2.gz OKKBJUBVTZDMEM-HOCLYGCPSA-N 0 2 387.977 3.162 10 0 GGAELN Cc1cnc(N)c(S(=O)(=O)Nc2ccccc2O[C@@H](C)C(F)(F)F)c1 ZINC000566031724 567120046 /nfs/dbraw/zinc/12/00/46/567120046.db2.gz ZVONIAYQGIXXPN-JTQLQIEISA-N 0 2 375.372 3.103 10 0 GGAELN COc1cc(C)c(NS(=O)(=O)c2ccc([C@@H](C)NC(C)=O)s2)cc1C ZINC000683441754 567124051 /nfs/dbraw/zinc/12/40/51/567124051.db2.gz GVJUXSAZCSLPKO-GFCCVEGCSA-N 0 2 382.507 3.371 10 0 GGAELN COc1ccccc1S(=O)(=O)[N-]c1nc2c(s1)C[N@@H+](C(C)(C)C)CC2 ZINC000566095536 567126459 /nfs/dbraw/zinc/12/64/59/567126459.db2.gz VUMXRNMCNWXOLD-UHFFFAOYSA-N 0 2 381.523 3.109 10 0 GGAELN COc1ccccc1S(=O)(=O)[N-]c1nc2c(s1)C[N@H+](C(C)(C)C)CC2 ZINC000566095536 567126464 /nfs/dbraw/zinc/12/64/64/567126464.db2.gz VUMXRNMCNWXOLD-UHFFFAOYSA-N 0 2 381.523 3.109 10 0 GGAELN CO[C@@H](C)c1cccc(NS(=O)(=O)c2ccc([C@@H](C)NC(C)=O)s2)c1 ZINC000588833052 567139662 /nfs/dbraw/zinc/13/96/62/567139662.db2.gz FPMLPAIITHUNGI-NEPJUHHUSA-N 0 2 382.507 3.453 10 0 GGAELN O=S(=O)(CCc1ccccc1)c1n[nH]c(-c2ccccc2Br)n1 ZINC000683683843 567144558 /nfs/dbraw/zinc/14/45/58/567144558.db2.gz QIBWCXUIMLPAIS-UHFFFAOYSA-N 0 2 392.278 3.251 10 0 GGAELN Cc1nc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)sc1C ZINC000683728924 567149019 /nfs/dbraw/zinc/14/90/19/567149019.db2.gz MPNRYTUMJKYRFG-UHFFFAOYSA-N 0 2 394.503 3.270 10 0 GGAELN CC[C@@H](c1nnc(NS(=O)(=O)c2ccnn2CC)s1)c1ccccc1 ZINC000546727099 567151181 /nfs/dbraw/zinc/15/11/81/567151181.db2.gz PTIVBOQNGGBUEZ-CYBMUJFWSA-N 0 2 377.495 3.097 10 0 GGAELN CC(C)(C)n1cnc(NS(=O)(=O)c2ccc(Cl)c(Br)c2)n1 ZINC000432347802 567151252 /nfs/dbraw/zinc/15/12/52/567151252.db2.gz PEPDDTBIFAMHIF-UHFFFAOYSA-N 0 2 393.694 3.250 10 0 GGAELN Cc1ccsc1-c1nc(=NC(=O)N[C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)s[nH]1 ZINC000546742854 567153411 /nfs/dbraw/zinc/15/34/11/567153411.db2.gz FNWZHIVSGCLRHT-CYZMBNFOSA-N 0 2 378.523 3.322 10 0 GGAELN O=C(c1c(O)cc(F)cc1F)N1CC[C@@H](Oc2cncc(Br)c2)C1 ZINC000615126776 567161060 /nfs/dbraw/zinc/16/10/60/567161060.db2.gz MAMNZEKSSZFXCE-LLVKDONJSA-N 0 2 399.191 3.121 10 0 GGAELN O=S(=O)(Nc1ccc(OC2CCCC2)nc1)c1cccc2nsnc21 ZINC000524017444 567180455 /nfs/dbraw/zinc/18/04/55/567180455.db2.gz HPMGCYCACQRNSE-UHFFFAOYSA-N 0 2 376.463 3.209 10 0 GGAELN Cc1ccc(Br)c(S(=O)(=O)Nc2cc([C@H]3CCCO3)[nH]n2)c1 ZINC000566772598 567189206 /nfs/dbraw/zinc/18/92/06/567189206.db2.gz UXKPLYGUDSKIMR-GFCCVEGCSA-N 0 2 386.271 3.133 10 0 GGAELN Cc1nc(CNC(=O)N=c2nc(C(C)(C)C)[nH]s2)sc1Br ZINC000454706469 567196053 /nfs/dbraw/zinc/19/60/53/567196053.db2.gz KBDBGDFOENMOLI-UHFFFAOYSA-N 0 2 390.332 3.107 10 0 GGAELN Cc1cc(NS(=O)(=O)c2ccc(C(F)(F)F)s2)n(C2CCOCC2)n1 ZINC000566888936 567199293 /nfs/dbraw/zinc/19/92/93/567199293.db2.gz SVPNETLKPUWXDD-UHFFFAOYSA-N 0 2 395.428 3.424 10 0 GGAELN COc1ccc(NS(=O)(=O)c2cccc(Cl)c2F)c(OC)c1OC ZINC000589939830 567199506 /nfs/dbraw/zinc/19/95/06/567199506.db2.gz WRMHBSJRJDYMDT-UHFFFAOYSA-N 0 2 375.805 3.306 10 0 GGAELN CC1(F)CN(C(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)s3)cc2)C1 ZINC000684324048 567199736 /nfs/dbraw/zinc/19/97/36/567199736.db2.gz KDIRTZFOYIDMCU-UHFFFAOYSA-N 0 2 388.873 3.386 10 0 GGAELN O=S(=O)(Nc1nc2cc(F)ccc2[nH]1)c1ccc(OC(F)(F)F)cc1 ZINC000566891107 567200105 /nfs/dbraw/zinc/20/01/05/567200105.db2.gz GXCNDWQMZBKMDB-UHFFFAOYSA-N 0 2 375.303 3.401 10 0 GGAELN O=C(c1c(O)cc(F)cc1F)N1CCOc2c(Br)cccc2C1 ZINC000684330754 567200465 /nfs/dbraw/zinc/20/04/65/567200465.db2.gz NHQWXUOQQBSQRJ-UHFFFAOYSA-N 0 2 384.176 3.468 10 0 GGAELN Fc1ccc(CCN=c2[nH]nc(C3CCOCC3)s2)cc1Br ZINC000566986165 567207260 /nfs/dbraw/zinc/20/72/60/567207260.db2.gz PWTGJBNHBKVYHC-UHFFFAOYSA-N 0 2 386.290 3.410 10 0 GGAELN O=C(Nc1nc(-c2c(F)cccc2F)n[nH]1)c1csc(C(F)(F)F)n1 ZINC000498880048 567207746 /nfs/dbraw/zinc/20/77/46/567207746.db2.gz JZDPPRXIXLHZAX-UHFFFAOYSA-N 0 2 375.282 3.478 10 0 GGAELN O=C(N=c1nc(-c2ccsc2)[nH]s1)NCc1ccnc(OC(F)F)c1 ZINC000498966849 567217160 /nfs/dbraw/zinc/21/71/60/567217160.db2.gz GEIOIUPYAHKNAK-UHFFFAOYSA-N 0 2 383.405 3.007 10 0 GGAELN C[C@H](NC(=O)N=c1ccc(-c2ccccc2)n[nH]1)c1ncc(Br)cn1 ZINC000433038098 567217262 /nfs/dbraw/zinc/21/72/62/567217262.db2.gz HYODTUGOHHNRPU-NSHDSACASA-N 0 2 399.252 3.001 10 0 GGAELN COC(=O)c1ccc(S(=O)(=O)Nc2cnn(CC(C)C)c2C)c(Cl)c1 ZINC000499268673 567233328 /nfs/dbraw/zinc/23/33/28/567233328.db2.gz AIMAHMKWXLHWNF-UHFFFAOYSA-N 0 2 385.873 3.088 10 0 GGAELN COC(=O)c1ccc(S(=O)(=O)Nc2cc3[nH]ncc3c(C)c2)cc1Cl ZINC000499273855 567234610 /nfs/dbraw/zinc/23/46/10/567234610.db2.gz PMKLFJITCSJQEO-UHFFFAOYSA-N 0 2 379.825 3.112 10 0 GGAELN O=S(=O)(Nc1cc(Cl)ccc1O)c1cc2c(cc1Cl)OCCO2 ZINC000525371783 567245440 /nfs/dbraw/zinc/24/54/40/567245440.db2.gz RLCUGUSEKBGGPS-UHFFFAOYSA-N 0 2 376.217 3.271 10 0 GGAELN Cn1ncc(NS(=O)(=O)c2cccc(Br)c2F)c1C(F)F ZINC000685001610 567251335 /nfs/dbraw/zinc/25/13/35/567251335.db2.gz MTEBVPDTLATEGQ-UHFFFAOYSA-N 0 2 384.177 3.060 10 0 GGAELN COc1cc(Cl)c(S(=O)(=O)Nc2cnc(C)nc2C2CC2)cc1OC ZINC000685006567 567253241 /nfs/dbraw/zinc/25/32/41/567253241.db2.gz CFAGYQNTROPPSL-UHFFFAOYSA-N 0 2 383.857 3.134 10 0 GGAELN O=C(N=c1ccc(-c2ccc(Br)s2)n[nH]1)N[C@@H]1C[C@H]1C1CC1 ZINC000433495193 567253511 /nfs/dbraw/zinc/25/35/11/567253511.db2.gz CSMUEOHIOYXPKI-GXSJLCMTSA-N 0 2 379.283 3.310 10 0 GGAELN COc1cc(S(=O)(=O)Nc2cnc(C)nc2C2CC2)ccc1Br ZINC000685007952 567253479 /nfs/dbraw/zinc/25/34/79/567253479.db2.gz YVHCMNRXXZYHOX-UHFFFAOYSA-N 0 2 398.282 3.234 10 0 GGAELN Cc1ncc(NS(=O)(=O)c2ccc(Br)c(F)c2)c(C2CC2)n1 ZINC000685007973 567254150 /nfs/dbraw/zinc/25/41/50/567254150.db2.gz ZTCFTFPYRMKNMN-UHFFFAOYSA-N 0 2 386.246 3.365 10 0 GGAELN CCCN(CCC)S(=O)(=O)Nc1ccc(Cl)cc1C(=O)N1CCCC1 ZINC000525692640 567259219 /nfs/dbraw/zinc/25/92/19/567259219.db2.gz DGQJWYORZVZEEN-UHFFFAOYSA-N 0 2 387.933 3.355 10 0 GGAELN C[C@H](CC(C)(C)C)C(=O)Nc1nnc(NS(=O)(=O)c2ccccc2)s1 ZINC000475610889 567261321 /nfs/dbraw/zinc/26/13/21/567261321.db2.gz XWCZTFALQXXVHQ-LLVKDONJSA-N 0 2 382.511 3.350 10 0 GGAELN C[C@@H](CC(C)(C)C)C(=O)Nc1nnc(NS(=O)(=O)c2ccccc2)s1 ZINC000475610891 567261373 /nfs/dbraw/zinc/26/13/73/567261373.db2.gz XWCZTFALQXXVHQ-NSHDSACASA-N 0 2 382.511 3.350 10 0 GGAELN COc1ccc(NS(=O)(=O)c2ccc(F)cc2Cl)c(OC)c1OC ZINC000525751680 567262859 /nfs/dbraw/zinc/26/28/59/567262859.db2.gz SDQOIDXNXCBZOZ-UHFFFAOYSA-N 0 2 375.805 3.306 10 0 GGAELN CN(Cc1nc(=O)c2sccc2[nH]1)c1nc(C2CC2)ncc1Br ZINC000685265460 567263520 /nfs/dbraw/zinc/26/35/20/567263520.db2.gz HSHXXHWBDSIKOE-UHFFFAOYSA-N 0 2 392.282 3.463 10 0 GGAELN Clc1cc(Cl)cc(-c2n[n-]c(=NCC3([NH+]4CCOCC4)CC3)s2)c1 ZINC000433792384 567272356 /nfs/dbraw/zinc/27/23/56/567272356.db2.gz HSTXINQOPPMDHW-UHFFFAOYSA-N 0 2 385.320 3.211 10 0 GGAELN Cc1nc(S(=O)(=O)NCC(C)(C)CC(F)(F)F)sc1Br ZINC000660197661 567279516 /nfs/dbraw/zinc/27/95/16/567279516.db2.gz GZYIJVPDILRNKL-UHFFFAOYSA-N 0 2 395.266 3.471 10 0 GGAELN CO[C@@H](CS(=O)(=O)Nc1ncc(Cc2ccc(F)c(F)c2)s1)C1CC1 ZINC000567870064 567284123 /nfs/dbraw/zinc/28/41/23/567284123.db2.gz RGOCKZCMQSCDPQ-HNNXBMFYSA-N 0 2 388.461 3.179 10 0 GGAELN CO[C@H](CS(=O)(=O)Nc1ncc(Cc2ccc(F)c(F)c2)s1)C1CC1 ZINC000567870065 567284568 /nfs/dbraw/zinc/28/45/68/567284568.db2.gz RGOCKZCMQSCDPQ-OAHLLOKOSA-N 0 2 388.461 3.179 10 0 GGAELN C[NH+](C)c1ccc(NS(=O)(=O)Cc2ccc(F)c(Cl)c2)c(C(=O)[O-])c1 ZINC000548206625 567289917 /nfs/dbraw/zinc/28/99/17/567289917.db2.gz ABJKEAYSQQNRNN-UHFFFAOYSA-N 0 2 386.832 3.185 10 0 GGAELN COc1ccc(NS(=O)(=O)c2cc(Cl)ccc2Br)nc1 ZINC000685912432 567310601 /nfs/dbraw/zinc/31/06/01/567310601.db2.gz VLYYABWQHGYTDS-UHFFFAOYSA-N 0 2 377.647 3.307 10 0 GGAELN CC(=O)N[C@H](C)c1ccc(S(=O)(=O)Nc2ccc3oc(C)nc3c2)s1 ZINC000617466781 567312158 /nfs/dbraw/zinc/31/21/58/567312158.db2.gz PCZCYGRSBRXMOT-SECBINFHSA-N 0 2 379.463 3.196 10 0 GGAELN COc1cccc(-c2nc(=NC(=O)COc3ccccc3Cl)s[nH]2)c1 ZINC000476345197 567316976 /nfs/dbraw/zinc/31/69/76/567316976.db2.gz DPWUAWCNQLJYNT-UHFFFAOYSA-N 0 2 375.837 3.307 10 0 GGAELN CSc1ccc(NS(=O)(=O)c2ccccc2S(C)(=O)=O)cc1Cl ZINC000476420658 567322945 /nfs/dbraw/zinc/32/29/45/567322945.db2.gz WKGXYAOXXSWQHR-UHFFFAOYSA-N 0 2 391.923 3.266 10 0 GGAELN Cc1nc(S(=O)(=O)NCC(C)(C)C(F)(F)F)sc1Br ZINC000568417577 567327348 /nfs/dbraw/zinc/32/73/48/567327348.db2.gz GFLXRUDJBPUTQX-UHFFFAOYSA-N 0 2 381.239 3.081 10 0 GGAELN CCSCc1cccc(NS(=O)(=O)c2coc(C(=O)N(C)C)c2C)c1 ZINC000592351740 567330538 /nfs/dbraw/zinc/33/05/38/567330538.db2.gz ADMNVALQTLORBO-UHFFFAOYSA-N 0 2 382.507 3.344 10 0 GGAELN CCc1cc(C(=O)OC)c(NS(=O)(=O)CCCC2CCOCC2)s1 ZINC000592383958 567335469 /nfs/dbraw/zinc/33/54/69/567335469.db2.gz YJPLDJFHVSHALB-UHFFFAOYSA-N 0 2 375.512 3.046 10 0 GGAELN CCn1cnc(S(=O)(=O)Nc2ncc(Cc3ccccc3Cl)s2)c1 ZINC000476935802 567358934 /nfs/dbraw/zinc/35/89/34/567358934.db2.gz DOCUZDWWWIOXTP-UHFFFAOYSA-N 0 2 382.898 3.405 10 0 GGAELN O=C(N=c1ccc(-c2ccc(Br)s2)n[nH]1)NC1(C(F)F)CC1 ZINC000548877806 567358979 /nfs/dbraw/zinc/35/89/79/567358979.db2.gz CWNUZINRJJRHGE-UHFFFAOYSA-N 0 2 389.225 3.309 10 0 GGAELN CCOc1ccc(Br)cc1NS(=O)(=O)C[C@H](OC)C1CC1 ZINC000569121728 567381181 /nfs/dbraw/zinc/38/11/81/567381181.db2.gz IUMAGMLONQMYTQ-AWEZNQCLSA-N 0 2 378.288 3.015 10 0 GGAELN C[C@@H](CC(C)(C)C)C(=O)Nc1ccc(S(=O)(=O)Nc2nncs2)cc1 ZINC000477689871 567409026 /nfs/dbraw/zinc/40/90/26/567409026.db2.gz HUDGSWQABVTQIQ-NSHDSACASA-N 0 2 382.511 3.350 10 0 GGAELN C[C@H](CC(C)(C)C)C(=O)Nc1ccc(S(=O)(=O)Nc2nncs2)cc1 ZINC000477689870 567409164 /nfs/dbraw/zinc/40/91/64/567409164.db2.gz HUDGSWQABVTQIQ-LLVKDONJSA-N 0 2 382.511 3.350 10 0 GGAELN COC(=O)c1ccc(NS(=O)(=O)c2cc(C)c(F)cc2Cl)c(OC)c1 ZINC000436184888 567412226 /nfs/dbraw/zinc/41/22/26/567412226.db2.gz LGOXAVWPJPZEBB-UHFFFAOYSA-N 0 2 387.816 3.384 10 0 GGAELN Cn1nc2c(c1CNC(=O)c1cc(Cl)cc(Br)c1O)CCCC2 ZINC000436641802 567440577 /nfs/dbraw/zinc/44/05/77/567440577.db2.gz OYAFVMQEKZJTEO-UHFFFAOYSA-N 0 2 398.688 3.350 10 0 GGAELN O=C(NCc1ccc(CO)c(F)c1)c1cc(Br)cc(Cl)c1O ZINC000436679901 567442132 /nfs/dbraw/zinc/44/21/32/567442132.db2.gz MXCWOHXIPAWEHK-UHFFFAOYSA-N 0 2 388.620 3.370 10 0 GGAELN CC(=O)NCCN(Cc1ccc(C)s1)C(=O)c1cc(F)c(O)c(Cl)c1 ZINC000436660556 567442578 /nfs/dbraw/zinc/44/25/78/567442578.db2.gz SURHTQUZISCODZ-UHFFFAOYSA-N 0 2 384.860 3.333 10 0 GGAELN O=C(NC[C@H](CO)c1ccccc1)c1cc(Br)cc(Cl)c1O ZINC000436730283 567447122 /nfs/dbraw/zinc/44/71/22/567447122.db2.gz KTJRAYJUNNYWDG-LLVKDONJSA-N 0 2 384.657 3.314 10 0 GGAELN O=C(NCc1nccc(C(F)F)n1)c1cc(Cl)cc(Br)c1O ZINC000436734316 567447680 /nfs/dbraw/zinc/44/76/80/567447680.db2.gz BJBHBMRJYZHCRC-UHFFFAOYSA-N 0 2 392.587 3.466 10 0 GGAELN CCS(=O)(=O)c1ccc([C@@H](C)NC(=O)c2cc(F)c(O)c(Cl)c2)cc1 ZINC000436732070 567448041 /nfs/dbraw/zinc/44/80/41/567448041.db2.gz BWMVMZVMDIKMRZ-SNVBAGLBSA-N 0 2 385.844 3.469 10 0 GGAELN C[C@@H](NC(=O)N=c1ncn(C(C)(C)C)[nH]1)c1ccc(Br)cc1F ZINC000436855878 567459998 /nfs/dbraw/zinc/45/99/98/567459998.db2.gz KVIBROMQJSSRTH-SECBINFHSA-N 0 2 384.253 3.239 10 0 GGAELN Cc1cc(C)c(CNC(=O)c2cc(Br)cc(Cl)c2O)c(=O)[nH]1 ZINC000436912865 567464664 /nfs/dbraw/zinc/46/46/64/567464664.db2.gz UNUFFWICZIFOFW-UHFFFAOYSA-N 0 2 385.645 3.456 10 0 GGAELN O=C(Nc1c(O)c(Cl)cc(Cl)c1Cl)c1cn(C[C@H]2CCOC2)nn1 ZINC000528954975 567471317 /nfs/dbraw/zinc/47/13/17/567471317.db2.gz ZYVYOZMVBKCIIN-SSDOTTSWSA-N 0 2 391.642 3.233 10 0 GGAELN Cc1cc(S(=O)(=O)Nc2cnc(CC3CC3)nc2)ccc1Br ZINC000551036921 567474527 /nfs/dbraw/zinc/47/45/27/567474527.db2.gz BTAFWGHOQMYPDS-UHFFFAOYSA-N 0 2 382.283 3.301 10 0 GGAELN Cc1cc(S(C)(=O)=O)ccc1NS(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000551108333 567478024 /nfs/dbraw/zinc/47/80/24/567478024.db2.gz QJRZOKJCDRZCJL-UHFFFAOYSA-N 0 2 395.836 3.131 10 0 GGAELN CC(C)(C)c1nc(=NC(=O)Cc2c(F)ccc(Br)c2F)s[nH]1 ZINC000503289847 567478804 /nfs/dbraw/zinc/47/88/04/567478804.db2.gz VMWIUGJGPOJJEB-UHFFFAOYSA-N 0 2 390.253 3.479 10 0 GGAELN CC(C)Oc1cncc(S(=O)(=O)NC(=O)c2ccsc2C(F)(F)F)c1 ZINC000529027442 567479606 /nfs/dbraw/zinc/47/96/06/567479606.db2.gz CMOJWCGMBUTZJU-UHFFFAOYSA-N 0 2 394.396 3.068 10 0 GGAELN COC(=O)c1ccc(S(=O)(=O)N[C@H](c2ccc(C)o2)C(F)(F)F)s1 ZINC000594481532 567480087 /nfs/dbraw/zinc/48/00/87/567480087.db2.gz PFGJWGUOCJLRQR-LLVKDONJSA-N 0 2 383.369 3.018 10 0 GGAELN O=C(Nc1cc(Cl)cc(Cl)c1O)c1ccc(CN2CCOCC2)cn1 ZINC000570441579 567484357 /nfs/dbraw/zinc/48/43/57/567484357.db2.gz WBPPNPSZXNMJID-UHFFFAOYSA-N 0 2 382.247 3.179 10 0 GGAELN CC(C)c1nnc(NS(=O)(=O)c2cccc(Br)c2Cl)o1 ZINC000551186005 567485750 /nfs/dbraw/zinc/48/57/50/567485750.db2.gz MWHMHIKFJYSBPZ-UHFFFAOYSA-N 0 2 380.651 3.410 10 0 GGAELN COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)NC(C)(C)C(C)(F)F ZINC000594577716 567486971 /nfs/dbraw/zinc/48/69/71/567486971.db2.gz BNCIEEGXEUGSCQ-UHFFFAOYSA-N 0 2 390.235 3.492 10 0 GGAELN COC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2[nH]nc(C(C)C)c2C)c1F ZINC000594586930 567488957 /nfs/dbraw/zinc/48/89/57/567488957.db2.gz RYLLXYRCGWNXBW-UHFFFAOYSA-N 0 2 389.836 3.221 10 0 GGAELN Cc1ccc(S(=O)(=O)Nc2cc([C@H]3CCCO3)[nH]n2)cc1Br ZINC000570622784 567499850 /nfs/dbraw/zinc/49/98/50/567499850.db2.gz BDOOLXYAJOTNKU-CYBMUJFWSA-N 0 2 386.271 3.133 10 0 GGAELN O=C(N=c1nc(-c2ccsc2)[nH]s1)c1ncccc1OCC(F)(F)F ZINC000437561455 567500037 /nfs/dbraw/zinc/50/00/37/567500037.db2.gz SMEZYTNBSIVFGZ-UHFFFAOYSA-N 0 2 386.380 3.277 10 0 GGAELN COC(=O)C(C)(C)c1ccc(S(=O)(=O)Nc2ncccc2SC)cc1 ZINC000594724564 567502967 /nfs/dbraw/zinc/50/29/67/567502967.db2.gz WBXHZMIAFMWEIR-UHFFFAOYSA-N 0 2 380.491 3.055 10 0 GGAELN COC(=O)c1cc(S(=O)(=O)Nc2nnc(CCC(C)C)s2)ccc1C ZINC000594725644 567503040 /nfs/dbraw/zinc/50/30/40/567503040.db2.gz CCGVFRVLMXIWCC-UHFFFAOYSA-N 0 2 383.495 3.023 10 0 GGAELN Cn1ncc(NS(=O)(=O)c2cc(Cl)ccc2OC(F)F)c1C(F)F ZINC000643269598 567504145 /nfs/dbraw/zinc/50/41/45/567504145.db2.gz VDTWDGRQCCYNFI-UHFFFAOYSA-N 0 2 387.742 3.413 10 0 GGAELN COC(=O)c1c(C)cccc1S(=O)(=O)Nc1nnc(CCC(C)C)s1 ZINC000594727122 567504333 /nfs/dbraw/zinc/50/43/33/567504333.db2.gz YFKOHRHVXRHOER-UHFFFAOYSA-N 0 2 383.495 3.023 10 0 GGAELN O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000643298438 567505233 /nfs/dbraw/zinc/50/52/33/567505233.db2.gz SOYLBJQJPCWFDA-JHJVBQTASA-N 0 2 377.491 3.319 10 0 GGAELN O=C(CC[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1)Nc1ccccc1Br ZINC000570683166 567505647 /nfs/dbraw/zinc/50/56/47/567505647.db2.gz BOOMQEZBWSWCOT-OAHLLOKOSA-N 0 2 390.281 3.326 10 0 GGAELN O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000643337272 567506668 /nfs/dbraw/zinc/50/66/68/567506668.db2.gz VOGLRAQCONWSDV-XQQFMLRXSA-N 0 2 377.491 3.319 10 0 GGAELN CCO[C@@H](C)c1nc(CN(C)C(=O)N=c2nc(C(C)(C)C)[nH]s2)cs1 ZINC000437952384 567515291 /nfs/dbraw/zinc/51/52/91/567515291.db2.gz JJLOYWUTWXFUHP-JTQLQIEISA-N 0 2 383.543 3.475 10 0 GGAELN COc1cc(C)c(Br)cc1S(=O)(=O)Nc1cc(O)cc(F)c1 ZINC000504279656 567527984 /nfs/dbraw/zinc/52/79/84/567527984.db2.gz MQECSWHKTASTLA-UHFFFAOYSA-N 0 2 390.230 3.412 10 0 GGAELN Cc1c(S(=O)(=O)Nc2cc(O)cc(F)c2)cnn1-c1ccc(Cl)cc1 ZINC000504286627 567528820 /nfs/dbraw/zinc/52/88/20/567528820.db2.gz REXSOKDDTNSTQU-UHFFFAOYSA-N 0 2 381.816 3.480 10 0 GGAELN CCn1cc(C(=O)N=c2nc(-c3sccc3C)[nH]s2)c(C(F)(F)F)n1 ZINC000438379343 567529033 /nfs/dbraw/zinc/52/90/33/567529033.db2.gz OWXYCGMNUVFFDO-UHFFFAOYSA-N 0 2 387.412 3.484 10 0 GGAELN C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1O)N1C(=O)c2ccccc2C1=O ZINC000644051259 567529376 /nfs/dbraw/zinc/52/93/76/567529376.db2.gz YFKJRNUJGFNILX-MRVPVSSYSA-N 0 2 379.199 3.322 10 0 GGAELN CC1(c2nc(=NC(=O)Cc3c[nH]c4cccc(Br)c34)s[nH]2)CC1 ZINC000529696820 567541045 /nfs/dbraw/zinc/54/10/45/567541045.db2.gz BFDRDAQRSZXHQK-UHFFFAOYSA-N 0 2 391.294 3.437 10 0 GGAELN Cn1cc([C@H](NC(=O)N=c2nc(-c3ccsc3)[nH]s2)C(C)(C)C)cn1 ZINC000571152510 567541604 /nfs/dbraw/zinc/54/16/04/567541604.db2.gz YRPVBJPIIFHWHY-LBPRGKRZSA-N 0 2 376.511 3.331 10 0 GGAELN CC1(c2nc(=NC(=O)c3ccc(Cl)c(N4CCCC4=O)c3)s[nH]2)CC1 ZINC000529702604 567541683 /nfs/dbraw/zinc/54/16/83/567541683.db2.gz KEZZRNLRVGRKKN-UHFFFAOYSA-N 0 2 376.869 3.044 10 0 GGAELN Cn1cc(C(=O)N=c2nc(C3(C)CC3)[nH]s2)c(-c2ccc(Cl)s2)n1 ZINC000529700310 567542257 /nfs/dbraw/zinc/54/22/57/567542257.db2.gz ZZBXQBXVHRJZDG-UHFFFAOYSA-N 0 2 379.898 3.379 10 0 GGAELN CC1(c2nc(=NC(=O)Cc3noc4ccc(Br)cc43)s[nH]2)CC1 ZINC000529700797 567542523 /nfs/dbraw/zinc/54/25/23/567542523.db2.gz LETNVAZGNRRCMQ-UHFFFAOYSA-N 0 2 393.266 3.096 10 0 GGAELN COc1cc(C(=O)N=c2nc(C3(C)CC3)[nH]s2)cc(OC)c1Br ZINC000529704057 567542907 /nfs/dbraw/zinc/54/29/07/567542907.db2.gz XRPQTFGZHUNBHB-UHFFFAOYSA-N 0 2 398.282 3.044 10 0 GGAELN C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N=c1nc(C2(C)CC2)[nH]s1 ZINC000529704300 567543661 /nfs/dbraw/zinc/54/36/61/567543661.db2.gz OHCLQKWTIRJWKH-QMMMGPOBSA-N 0 2 399.303 3.075 10 0 GGAELN COc1ccsc1S(=O)(=O)[N-]c1nc2c(s1)C[N@@H+](C(C)(C)C)CC2 ZINC000571276091 567550364 /nfs/dbraw/zinc/55/03/64/567550364.db2.gz MEDWHESOHZXEMZ-UHFFFAOYSA-N 0 2 387.552 3.171 10 0 GGAELN COc1ccsc1S(=O)(=O)[N-]c1nc2c(s1)C[N@H+](C(C)(C)C)CC2 ZINC000571276091 567550375 /nfs/dbraw/zinc/55/03/75/567550375.db2.gz MEDWHESOHZXEMZ-UHFFFAOYSA-N 0 2 387.552 3.171 10 0 GGAELN O=C(c1cc(Br)c(F)cc1O)N1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000620957021 567552875 /nfs/dbraw/zinc/55/28/75/567552875.db2.gz UXIKXYSVWIBPSF-CALCHBBNSA-N 0 2 384.245 3.327 10 0 GGAELN O=C(c1cc(Br)c(F)cc1O)N1CCc2nc(C3CC3)ncc2C1 ZINC000529926545 567555124 /nfs/dbraw/zinc/55/51/24/567555124.db2.gz ZEHNACZMWFJITO-UHFFFAOYSA-N 0 2 392.228 3.160 10 0 GGAELN CCn1cc(NS(=O)(=O)c2cc(Br)cc3cccnc32)cn1 ZINC000571510898 567567588 /nfs/dbraw/zinc/56/75/88/567567588.db2.gz NFBOBGGZMIUGDO-UHFFFAOYSA-N 0 2 381.255 3.015 10 0 GGAELN COc1c(C)cc(Cl)cc1NS(=O)(=O)c1cnn(CC(F)(F)F)c1 ZINC000530146636 567574931 /nfs/dbraw/zinc/57/49/31/567574931.db2.gz NRWUYYCZSKDGPQ-UHFFFAOYSA-N 0 2 383.779 3.217 10 0 GGAELN CC(=O)N1CCc2cc(S(=O)(=O)Nc3cc(C)cc(C)n3)c(Cl)cc21 ZINC000530153052 567576277 /nfs/dbraw/zinc/57/62/77/567576277.db2.gz JDQJBIDZSQTLGG-UHFFFAOYSA-N 0 2 379.869 3.062 10 0 GGAELN CCCc1cnc(NS(=O)(=O)c2cc3c(cc2Cl)N(C(C)=O)CC3)s1 ZINC000530155036 567576542 /nfs/dbraw/zinc/57/65/42/567576542.db2.gz YCHLJBLRTYPIBO-UHFFFAOYSA-N 0 2 399.925 3.459 10 0 GGAELN COc1cccc(OC(F)(F)F)c1S(=O)(=O)Nc1nc(C)c(C)s1 ZINC000530153784 567576611 /nfs/dbraw/zinc/57/66/11/567576611.db2.gz PFGVDYXFCPKWRR-UHFFFAOYSA-N 0 2 382.385 3.468 10 0 GGAELN CCc1ccc2nc(NS(=O)(=O)c3cc(C(F)(F)F)nn3C)sc2c1 ZINC000530153474 567576718 /nfs/dbraw/zinc/57/67/18/567576718.db2.gz JISWWXCWIQOYAT-UHFFFAOYSA-N 0 2 390.412 3.412 10 0 GGAELN C[C@H](NC(=O)c1cc(Br)c(F)cc1O)c1noc(C(F)F)n1 ZINC000644779065 567577230 /nfs/dbraw/zinc/57/72/30/567577230.db2.gz SRNOCHCDKOTNRI-BYPYZUCNSA-N 0 2 380.120 3.105 10 0 GGAELN CCn1nc(C)cc1NS(=O)(=O)c1cc(Br)c(F)cc1C ZINC000530158331 567577882 /nfs/dbraw/zinc/57/78/82/567577882.db2.gz ONQLEXQBZDBYND-UHFFFAOYSA-N 0 2 376.251 3.222 10 0 GGAELN C[C@@H](NC(=O)c1cc(Br)c(F)cc1O)c1noc(C(F)F)n1 ZINC000644779066 567578032 /nfs/dbraw/zinc/57/80/32/567578032.db2.gz SRNOCHCDKOTNRI-SCSAIBSYSA-N 0 2 380.120 3.105 10 0 GGAELN CCn1nc(C)cc1NS(=O)(=O)c1cc(F)c(Br)cc1F ZINC000530158272 567578321 /nfs/dbraw/zinc/57/83/21/567578321.db2.gz VDRHVNGEJJFUHA-UHFFFAOYSA-N 0 2 380.214 3.053 10 0 GGAELN CCn1nc(C)cc1NS(=O)(=O)c1cccc(Cl)c1Br ZINC000530158652 567578546 /nfs/dbraw/zinc/57/85/46/567578546.db2.gz XJBVZUOERLGZLP-UHFFFAOYSA-N 0 2 378.679 3.428 10 0 GGAELN CCCOc1cncc(NS(=O)(=O)c2cc(F)ccc2OC(F)F)c1 ZINC000530156674 567578605 /nfs/dbraw/zinc/57/86/05/567578605.db2.gz DTGRQOBLOPJPIW-UHFFFAOYSA-N 0 2 376.356 3.412 10 0 GGAELN CCn1nc(C)cc1NS(=O)(=O)c1cnn(-c2ccc(Cl)cc2)c1C ZINC000530157438 567578678 /nfs/dbraw/zinc/57/86/78/567578678.db2.gz JYCDGBYOMKHHIQ-UHFFFAOYSA-N 0 2 379.873 3.160 10 0 GGAELN O=C([O-])[C@@H]1c2ccoc2CC[N@H+]1Cc1ccc(I)cc1 ZINC000530166880 567580010 /nfs/dbraw/zinc/58/00/10/567580010.db2.gz SFHLDCKJFVQADI-AWEZNQCLSA-N 0 2 383.185 3.068 10 0 GGAELN O=C([O-])[C@@H]1c2ccoc2CC[N@@H+]1Cc1ccc(I)cc1 ZINC000530166880 567580013 /nfs/dbraw/zinc/58/00/13/567580013.db2.gz SFHLDCKJFVQADI-AWEZNQCLSA-N 0 2 383.185 3.068 10 0 GGAELN C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)[N@H+]1CCS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000530175436 567580645 /nfs/dbraw/zinc/58/06/45/567580645.db2.gz GYSIIBCAUOIPCX-ZSBIGDGJSA-N 0 2 394.320 3.341 10 0 GGAELN C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)[N@@H+]1CCS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000530175436 567580650 /nfs/dbraw/zinc/58/06/50/567580650.db2.gz GYSIIBCAUOIPCX-ZSBIGDGJSA-N 0 2 394.320 3.341 10 0 GGAELN CO[C@@H](CS(=O)(=O)Nc1ccn(-c2ccc(Cl)cc2Cl)n1)C1CC1 ZINC000571682458 567581265 /nfs/dbraw/zinc/58/12/65/567581265.db2.gz XOEZDBANOIYAMD-AWEZNQCLSA-N 0 2 390.292 3.346 10 0 GGAELN CC[C@H](C)n1ncc(NS(=O)(=O)c2ccc(C(=O)OC)cc2Cl)c1C ZINC000480222906 567590449 /nfs/dbraw/zinc/59/04/49/567590449.db2.gz WUDOLQJTOUAMBI-JTQLQIEISA-N 0 2 385.873 3.403 10 0 GGAELN Cc1c(-c2nc(-c3cc(F)c(O)c(Br)c3)no2)nn2c1OCCC2 ZINC000621808363 567611424 /nfs/dbraw/zinc/61/14/24/567611424.db2.gz GPYBMRKMQMJDDP-UHFFFAOYSA-N 0 2 395.188 3.298 10 0 GGAELN Oc1c(F)cc(-c2noc(C3CN(CC(F)(F)F)C3)n2)cc1Br ZINC000621808743 567611932 /nfs/dbraw/zinc/61/19/32/567611932.db2.gz VNDWWAKVLJGQKM-UHFFFAOYSA-N 0 2 396.138 3.305 10 0 GGAELN C[C@@H](OCc1nc(-c2cc(F)c(O)c(Br)c2)no1)c1nccn1C ZINC000621808856 567613042 /nfs/dbraw/zinc/61/30/42/567613042.db2.gz ZHWSWGGCHBIPBT-MRVPVSSYSA-N 0 2 397.204 3.355 10 0 GGAELN O=C(N=c1nc(-c2ccsc2)[nH]s1)N[C@@H]1CCOC2(CCSCC2)C1 ZINC000572232444 567624272 /nfs/dbraw/zinc/62/42/72/567624272.db2.gz YCEDAUGHZYLCHA-GFCCVEGCSA-N 0 2 396.563 3.255 10 0 GGAELN CCO[C@@H]1C[C@@H]([NH2+]Cc2nnc(-c3ccc(Br)cc3)[nH]2)[C@H]1SC ZINC000459458906 567626098 /nfs/dbraw/zinc/62/60/98/567626098.db2.gz HMPVTYNLLDOHOZ-UMVBOHGHSA-N 0 2 397.342 3.233 10 0 GGAELN O=C(NCC1(O)CCC(F)(F)CC1)c1cc(Cl)cc(Br)c1O ZINC000622180484 567642471 /nfs/dbraw/zinc/64/24/71/567642471.db2.gz MOGYIBSZFYARCB-UHFFFAOYSA-N 0 2 398.631 3.478 10 0 GGAELN Cc1ccsc1-c1nc(=NC(=O)c2ncccc2Br)s[nH]1 ZINC000480937904 567644267 /nfs/dbraw/zinc/64/42/67/567644267.db2.gz PUQWJLIQQXIJBV-UHFFFAOYSA-N 0 2 381.280 3.407 10 0 GGAELN CCOC(=O)c1ccc(OC)c(S(=O)(=O)Nc2nc(C(C)C)cs2)c1 ZINC000506805258 567644399 /nfs/dbraw/zinc/64/43/99/567644399.db2.gz MCKGKNZWHYUEIO-UHFFFAOYSA-N 0 2 384.479 3.253 10 0 GGAELN COC(=O)c1ccc(S(=O)(=O)Nc2cnc(C(C)(C)C)nc2)cc1Cl ZINC000440837663 567645349 /nfs/dbraw/zinc/64/53/49/567645349.db2.gz ZMJOAUSYHYTRBW-UHFFFAOYSA-N 0 2 383.857 3.015 10 0 GGAELN COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1nc(C)c(C)o1 ZINC000506849712 567645470 /nfs/dbraw/zinc/64/54/70/567645470.db2.gz CELDQBUWUOJKMT-UHFFFAOYSA-N 0 2 379.221 3.186 10 0 GGAELN COc1ccc([C@@H](NS(=O)(=O)CCC[C@H]2CCOC2)C(F)(F)F)cc1 ZINC000645646651 567651015 /nfs/dbraw/zinc/65/10/15/567651015.db2.gz LWKZGNBYAKQPCT-SWLSCSKDSA-N 0 2 381.416 3.035 10 0 GGAELN O=S(=O)(CCC[C@H]1CCOC1)N[C@H](CCc1ccccc1)C(F)(F)F ZINC000645642691 567651402 /nfs/dbraw/zinc/65/14/02/567651402.db2.gz KNCIJIMUSDILFD-JKSUJKDBSA-N 0 2 379.444 3.286 10 0 GGAELN COc1ccc([C@H](NS(=O)(=O)CCC[C@@H]2CCOC2)C(F)(F)F)cc1 ZINC000645646649 567651760 /nfs/dbraw/zinc/65/17/60/567651760.db2.gz LWKZGNBYAKQPCT-DOMZBBRYSA-N 0 2 381.416 3.035 10 0 GGAELN Cc1nn(C)c(C)c1S(=O)(=O)Nc1ncc(Cc2ccc(F)cc2)s1 ZINC000507009624 567654434 /nfs/dbraw/zinc/65/44/34/567654434.db2.gz XJEPXSNUXGTEEI-UHFFFAOYSA-N 0 2 380.470 3.024 10 0 GGAELN CCN(C(=O)N=c1nc(-c2ccsc2)[nH]s1)[C@@H](C)C(=O)OC(C)(C)C ZINC000596837885 567657022 /nfs/dbraw/zinc/65/70/22/567657022.db2.gz UNAPQYSKEJIFGW-JTQLQIEISA-N 0 2 382.511 3.273 10 0 GGAELN COc1ccc(CCC(=O)N=c2ccc(C3CC3)n[nH]2)c(Br)c1 ZINC000622804376 567657168 /nfs/dbraw/zinc/65/71/68/567657168.db2.gz HMEMPCUPHRPULA-UHFFFAOYSA-N 0 2 376.254 3.118 10 0 GGAELN Cc1cc(=NC(=O)c2cc(Br)cc(N3CCCC3)c2)[nH]nc1C ZINC000622803739 567657430 /nfs/dbraw/zinc/65/74/30/567657430.db2.gz SKOJPBFRTYLILN-UHFFFAOYSA-N 0 2 375.270 3.130 10 0 GGAELN CCCCc1nnc(NS(=O)(=O)c2ccc(C(=O)OC)c(Cl)c2)s1 ZINC000441389719 567662446 /nfs/dbraw/zinc/66/24/46/567662446.db2.gz VNSHWHPCBODRSG-UHFFFAOYSA-N 0 2 389.886 3.122 10 0 GGAELN C[S@](=O)[C@@H]1CCC[C@@H](NC(=O)N=c2ccc(-c3ccc(Cl)s3)n[nH]2)C1 ZINC000597013345 567671179 /nfs/dbraw/zinc/67/11/79/567671179.db2.gz DQWZGYGKIQEOOX-PQIHIXOVSA-N 0 2 398.941 3.092 10 0 GGAELN COc1ccc(CNC(=O)N=c2nc(-c3ccsc3)[nH]s2)cc1OC ZINC000460129149 567674374 /nfs/dbraw/zinc/67/43/74/567674374.db2.gz UGEJXJWUNCBMFS-UHFFFAOYSA-N 0 2 376.463 3.027 10 0 GGAELN CC(=O)Nc1cc(F)c(S(=O)(=O)NCC2CCC(F)CC2)c(F)c1Cl ZINC000645860020 567677307 /nfs/dbraw/zinc/67/73/07/567677307.db2.gz XBGFKTOHYPCQFE-UHFFFAOYSA-N 0 2 398.834 3.383 10 0 GGAELN CC(C)[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)C1 ZINC000531901326 567686070 /nfs/dbraw/zinc/68/60/70/567686070.db2.gz GAZZRHONYHRORS-CQSZACIVSA-N 0 2 379.507 3.062 10 0 GGAELN O=C(c1cc(Br)cc(Cl)c1O)N1CCO[C@@]2(CCSC2)C1 ZINC000573123679 567689943 /nfs/dbraw/zinc/68/99/43/567689943.db2.gz KJTSASLCCNIGIG-AWEZNQCLSA-N 0 2 392.702 3.156 10 0 GGAELN O=S(=O)(Nc1cc(F)c(Br)c(Cl)c1)c1cnc2n1CCC2 ZINC000507636885 567692139 /nfs/dbraw/zinc/69/21/39/567692139.db2.gz PMPBMVZSULESAV-UHFFFAOYSA-N 0 2 394.653 3.185 10 0 GGAELN O=S(=O)([N-]c1c[nH+]c2c(Br)cccn12)c1cccc(F)c1F ZINC000460647050 567697488 /nfs/dbraw/zinc/69/74/88/567697488.db2.gz FXUWSHIYTCORPW-UHFFFAOYSA-N 0 2 388.193 3.176 10 0 GGAELN O=S(=O)(Nc1cnc2c(Br)cccn12)c1cccc(F)c1F ZINC000460647050 567697494 /nfs/dbraw/zinc/69/74/94/567697494.db2.gz FXUWSHIYTCORPW-UHFFFAOYSA-N 0 2 388.193 3.176 10 0 GGAELN O=S(=O)(Nc1cnc2c(Br)cccn12)c1ccc2c(c1)CCC2 ZINC000460651323 567697506 /nfs/dbraw/zinc/69/75/06/567697506.db2.gz SVUOYJVCFWGRSA-UHFFFAOYSA-N 0 2 392.278 3.386 10 0 GGAELN O=c1nc(CN2CCc3nccc(Br)c3C2)[nH]c2ccsc21 ZINC000623286283 567698691 /nfs/dbraw/zinc/69/86/91/567698691.db2.gz MKXWKVHRVRFLAE-UHFFFAOYSA-N 0 2 377.267 3.113 10 0 GGAELN COC(=O)c1ccc(S(=O)(=O)Nc2ccc3ccn(C)c3c2)c(Cl)c1 ZINC000460824757 567703575 /nfs/dbraw/zinc/70/35/75/567703575.db2.gz SJDRBIVWWZXGPB-UHFFFAOYSA-N 0 2 378.837 3.419 10 0 GGAELN O=S(=O)(N[C@H](C1CCCC1)C(F)(F)F)c1cnccc1C(F)(F)F ZINC000442749047 567705200 /nfs/dbraw/zinc/70/52/00/567705200.db2.gz NMLWVSNADXCDKM-LLVKDONJSA-N 0 2 376.322 3.500 10 0 GGAELN CC(C)[C@H](NC(=O)N=c1nc(-c2ccsc2)[nH]s1)C1(CO)CC=CC1 ZINC000646356414 567710471 /nfs/dbraw/zinc/71/04/71/567710471.db2.gz VVWARYICQXSPHK-ZDUSSCGKSA-N 0 2 378.523 3.163 10 0 GGAELN COc1cc(OC)c(NS(=O)(=O)c2cnccc2C(F)(F)F)cc1F ZINC000442825953 567710980 /nfs/dbraw/zinc/71/09/80/567710980.db2.gz NORCYCMCMCUYCT-UHFFFAOYSA-N 0 2 380.319 3.058 10 0 GGAELN O=S(=O)(Nc1cc(O)c(Br)cc1Br)c1ccco1 ZINC000507962887 567718294 /nfs/dbraw/zinc/71/82/94/567718294.db2.gz FPNXXXAHCRSPER-UHFFFAOYSA-N 0 2 397.044 3.311 10 0 GGAELN COc1cccc(-c2nc(=NC(=O)NCc3sc(C)nc3C)s[nH]2)c1 ZINC000573527541 567719255 /nfs/dbraw/zinc/71/92/55/567719255.db2.gz AIKOGAMHRKBHSC-UHFFFAOYSA-N 0 2 375.479 3.031 10 0 GGAELN COc1ccc(S(=O)(=O)Nc2ncc(-c3cccnc3)s2)cc1OC ZINC000508080852 567726572 /nfs/dbraw/zinc/72/65/72/567726572.db2.gz ALLXUDFIGXBGPC-UHFFFAOYSA-N 0 2 377.447 3.023 10 0 GGAELN COCc1cnc(NS(=O)(=O)c2c(C)cc(Br)cc2C)s1 ZINC000508075069 567726673 /nfs/dbraw/zinc/72/66/73/567726673.db2.gz VQWAPAVNEBAXAE-UHFFFAOYSA-N 0 2 391.312 3.470 10 0 GGAELN CC(C)(C)c1ccc(S(=O)(=O)Nc2cccc([C@@H]3CNC(=O)C3)c2)s1 ZINC000532673285 567727928 /nfs/dbraw/zinc/72/79/28/567727928.db2.gz QZPBENGSASAVMG-ZDUSSCGKSA-N 0 2 378.519 3.450 10 0 GGAELN Cn1c(=O)ccc2ccc(NS(=O)(=O)c3ccc(C(F)(F)F)s3)cc21 ZINC000461337952 567730028 /nfs/dbraw/zinc/73/00/28/567730028.db2.gz JAEVUGFPEMGEKM-UHFFFAOYSA-N 0 2 388.392 3.420 10 0 GGAELN Cc1ncc(NS(=O)(=O)c2cc(F)ccc2Br)c(C2CC2)n1 ZINC000532745068 567731718 /nfs/dbraw/zinc/73/17/18/567731718.db2.gz UHDPSINBCRVBHF-UHFFFAOYSA-N 0 2 386.246 3.365 10 0 GGAELN C[C@H]1Cc2cc(S(=O)(=O)Nc3cc(C(F)(F)F)[nH]n3)cc(Cl)c2O1 ZINC000532764598 567732742 /nfs/dbraw/zinc/73/27/42/567732742.db2.gz PSLGIQTVHMNHOF-LURJTMIESA-N 0 2 381.763 3.206 10 0 GGAELN O=S(=O)(Nc1ncc(-c2cccnc2)s1)c1cnccc1C(F)(F)F ZINC000508140701 567733194 /nfs/dbraw/zinc/73/31/94/567733194.db2.gz ARUCGOQTOWVWFM-UHFFFAOYSA-N 0 2 386.380 3.420 10 0 GGAELN CCOC(=O)c1sc(NS(=O)(=O)c2cnccc2C(F)(F)F)cc1C ZINC000443148517 567735230 /nfs/dbraw/zinc/73/52/30/567735230.db2.gz SYGGTTLVMNCGKV-UHFFFAOYSA-N 0 2 394.396 3.448 10 0 GGAELN CC1(C)SC[C@H]1NC(=O)c1cccc(NS(=O)(=O)c2cccs2)c1 ZINC000573819074 567737588 /nfs/dbraw/zinc/73/75/88/567737588.db2.gz PFCBCFUIQHFJPE-CYBMUJFWSA-N 0 2 382.532 3.173 10 0 GGAELN CCOC(=O)Cc1cccc(S(=O)(=O)Nc2ncc(C(F)(F)F)s2)c1 ZINC000508213761 567737761 /nfs/dbraw/zinc/73/77/61/567737761.db2.gz JJIDZUVVEVLXCO-UHFFFAOYSA-N 0 2 394.396 3.068 10 0 GGAELN CCOC(=O)c1cc(S(=O)(=O)Nc2ncc(C(F)(F)F)s2)ccc1C ZINC000508213707 567738208 /nfs/dbraw/zinc/73/82/08/567738208.db2.gz IPYUAOVOCXHIJB-UHFFFAOYSA-N 0 2 394.396 3.448 10 0 GGAELN O=S(=O)(Nc1ccc(-c2csnn2)cc1)c1cccnc1C(F)(F)F ZINC000554681860 567741911 /nfs/dbraw/zinc/74/19/11/567741911.db2.gz NBKQENDYLHHNQY-UHFFFAOYSA-N 0 2 386.380 3.420 10 0 GGAELN O=S(=O)(Nc1cc(C(F)(F)F)[nH]n1)c1ccc(OC(F)(F)F)cc1 ZINC000532940800 567744378 /nfs/dbraw/zinc/74/43/78/567744378.db2.gz PPLVSLJOVURJHY-UHFFFAOYSA-N 0 2 375.250 3.128 10 0 GGAELN Cc1cc(C(=O)N2CCC(c3n[nH]c(=O)[nH]3)CC2)cc(Cl)c1Br ZINC000554835149 567751697 /nfs/dbraw/zinc/75/16/97/567751697.db2.gz SFDOMIFPXRQSNA-UHFFFAOYSA-N 0 2 399.676 3.254 10 0 GGAELN COc1cc(NS(=O)(=O)c2cnccc2C(F)(F)F)c(C)c(OC)c1 ZINC000443414535 567756343 /nfs/dbraw/zinc/75/63/43/567756343.db2.gz CMSHRXFCZRIIGJ-UHFFFAOYSA-N 0 2 376.356 3.227 10 0 GGAELN O=S(=O)(Nc1cc(-c2ccncc2)n[nH]1)c1ccc(Br)c(F)c1 ZINC000533177497 567756939 /nfs/dbraw/zinc/75/69/39/567756939.db2.gz QHZUTMLJVIWLGD-UHFFFAOYSA-N 0 2 397.229 3.174 10 0 GGAELN O=S(=O)(Nc1cc(-c2ccncc2)[nH]n1)c1ccc(Br)c(F)c1 ZINC000533177497 567756940 /nfs/dbraw/zinc/75/69/40/567756940.db2.gz QHZUTMLJVIWLGD-UHFFFAOYSA-N 0 2 397.229 3.174 10 0 GGAELN CCCn1nccc1NS(=O)(=O)c1ccc2c(Br)cn(C)c2c1 ZINC000647126579 567761656 /nfs/dbraw/zinc/76/16/56/567761656.db2.gz LDRGYMNXFFKKRG-UHFFFAOYSA-N 0 2 397.298 3.348 10 0 GGAELN Cc1cccc2cc(S(=O)(=O)Nc3cnn(C[C@@H]4CCCO4)c3)sc21 ZINC000647124454 567761694 /nfs/dbraw/zinc/76/16/94/567761694.db2.gz HCECHRZTCVZJOT-HNNXBMFYSA-N 0 2 377.491 3.386 10 0 GGAELN CO[C@@H](CS(=O)(=O)Nc1cccc(Cl)c1OC(C)C)C1CCOCC1 ZINC000647127624 567761766 /nfs/dbraw/zinc/76/17/66/567761766.db2.gz XVPFXTYJUYKEID-INIZCTEOSA-N 0 2 391.917 3.311 10 0 GGAELN Cc1nc(CC(C)C)c(NS(=O)(=O)c2coc(C(=O)N(C)C)c2C)s1 ZINC000647128607 567762610 /nfs/dbraw/zinc/76/26/10/567762610.db2.gz KGVZTFKBYFPRSB-UHFFFAOYSA-N 0 2 385.511 3.054 10 0 GGAELN COc1ncc(S(=O)(=O)Nc2cnn(CC(C)C)c2C2CC2)cc1Cl ZINC000647133246 567762677 /nfs/dbraw/zinc/76/26/77/567762677.db2.gz RSFDRQZZTKUGKJ-UHFFFAOYSA-N 0 2 384.889 3.274 10 0 GGAELN CO[C@@H](CS(=O)(=O)Nc1ccc(Cl)cc1OC(F)F)C1CCOCC1 ZINC000647130176 567763258 /nfs/dbraw/zinc/76/32/58/567763258.db2.gz BVCDQXRATVYPMO-AWEZNQCLSA-N 0 2 399.843 3.125 10 0 GGAELN CCOc1cc(Cl)ccc1NS(=O)(=O)c1coc(C(=O)N(C)C)c1C ZINC000647128886 567763292 /nfs/dbraw/zinc/76/32/92/567763292.db2.gz SIIJGKFIMAJTMR-UHFFFAOYSA-N 0 2 386.857 3.143 10 0 GGAELN CO[C@@H](CS(=O)(=O)Nc1ccc(Br)c2cccnc12)C1CC1 ZINC000647132384 567763377 /nfs/dbraw/zinc/76/33/77/567763377.db2.gz RRCJINHMEWBINF-AWEZNQCLSA-N 0 2 385.283 3.164 10 0 GGAELN CCn1nc(C)c(S(=O)(=O)Nc2cnc(-c3ccc(Cl)s3)nc2)c1C ZINC000647137244 567764682 /nfs/dbraw/zinc/76/46/82/567764682.db2.gz GPOLHYOWWREWOW-UHFFFAOYSA-N 0 2 397.913 3.493 10 0 GGAELN Cc1c(Br)cccc1S(=O)(=O)Nc1cc(C(F)(F)F)[nH]n1 ZINC000533549073 567774251 /nfs/dbraw/zinc/77/42/51/567774251.db2.gz LRWXFEOBNYKGPP-UHFFFAOYSA-N 0 2 384.177 3.300 10 0 GGAELN Cc1c(S(=O)(=O)Nc2nc3ccc(C)cc3s2)coc1C(=O)N(C)C ZINC000647264886 567775447 /nfs/dbraw/zinc/77/54/47/567775447.db2.gz YEEPIEMFHIJLAC-UHFFFAOYSA-N 0 2 379.463 3.009 10 0 GGAELN Cc1nn(C)c(NS(=O)(=O)c2ccc3c(Br)cn(C)c3c2)c1C ZINC000647266163 567775586 /nfs/dbraw/zinc/77/55/86/567775586.db2.gz ZXBWGJWFUHTUHL-UHFFFAOYSA-N 0 2 397.298 3.092 10 0 GGAELN CCc1cc(NS(=O)(=O)c2ccc3c(Br)cn(C)c3c2)n(C)n1 ZINC000647266697 567775795 /nfs/dbraw/zinc/77/57/95/567775795.db2.gz JRZTUUFKZNOVSA-UHFFFAOYSA-N 0 2 397.298 3.038 10 0 GGAELN CO[C@@H](CS(=O)(=O)Nc1ncc(C2CCCCC2)s1)C1CCOCC1 ZINC000647271653 567776678 /nfs/dbraw/zinc/77/66/78/567776678.db2.gz AYZCTYMJAVBACF-HNNXBMFYSA-N 0 2 388.555 3.374 10 0 GGAELN COc1ncc(S(=O)(=O)Nc2nc(C)c(C(F)(F)F)s2)cc1Cl ZINC000647275541 567776830 /nfs/dbraw/zinc/77/68/30/567776830.db2.gz GVYQHKFWZYJLBQ-UHFFFAOYSA-N 0 2 387.792 3.328 10 0 GGAELN COc1ccc(S(=O)(=O)Nc2[nH]nc(C(C)C)c2C)cc1Br ZINC000647279038 567777515 /nfs/dbraw/zinc/77/75/15/567777515.db2.gz DPDRPERPJRIFJY-UHFFFAOYSA-N 0 2 388.287 3.413 10 0 GGAELN COc1ccc(S(=O)(=O)Nc2n[nH]c(C(C)C)c2C)cc1Br ZINC000647279038 567777518 /nfs/dbraw/zinc/77/75/18/567777518.db2.gz DPDRPERPJRIFJY-UHFFFAOYSA-N 0 2 388.287 3.413 10 0 GGAELN CCc1nc(NS(=O)(=O)C[C@@H](OC)C2CCOCC2)sc1C(C)(C)C ZINC000647277848 567777719 /nfs/dbraw/zinc/77/77/19/567777719.db2.gz ZBQATNXVSTVMNH-CQSZACIVSA-N 0 2 390.571 3.186 10 0 GGAELN COC(=O)c1ccc(NS(=O)(=O)c2c(C)cc(Br)cc2C)nc1 ZINC000555496161 567786180 /nfs/dbraw/zinc/78/61/80/567786180.db2.gz YTUMDCVDXYKZTH-UHFFFAOYSA-N 0 2 399.266 3.048 10 0 GGAELN COc1cccc(-c2nsc(NS(=O)(=O)c3ccccc3SC)n2)c1 ZINC000444052516 567787149 /nfs/dbraw/zinc/78/71/49/567787149.db2.gz YDVQPQHHFPPSID-UHFFFAOYSA-N 0 2 393.515 3.158 10 0 GGAELN CSCc1noc(CCC(=O)N=c2ccc(-c3ccc(Cl)s3)n[nH]2)n1 ZINC000598870157 567796271 /nfs/dbraw/zinc/79/62/71/567796271.db2.gz PBDAHDBINDSGJD-UHFFFAOYSA-N 0 2 395.897 3.098 10 0 GGAELN CC(C)(C)OC(=O)CSCC(=O)N=c1ccc(-c2ccc(Cl)s2)n[nH]1 ZINC000598867336 567796535 /nfs/dbraw/zinc/79/65/35/567796535.db2.gz AZUPTBJVRSTUPG-UHFFFAOYSA-N 0 2 399.925 3.294 10 0 GGAELN CCc1ccc(S(=O)(=O)Nc2nc(-c3ccc(OC)c(F)c3)ns2)s1 ZINC000444205212 567797122 /nfs/dbraw/zinc/79/71/22/567797122.db2.gz LLCIZIMBQDRNTC-UHFFFAOYSA-N 0 2 399.494 3.199 10 0 GGAELN O=C(c1c(O)cc(F)cc1F)N1CCC(n2cc(Br)cn2)CC1 ZINC000599113107 567806519 /nfs/dbraw/zinc/80/65/19/567806519.db2.gz BGIFOXHHAVBFPE-UHFFFAOYSA-N 0 2 386.196 3.107 10 0 GGAELN COC(=O)c1ccc(=N[C@@H]2CCCSc3ccc(Br)cc32)[nH]n1 ZINC000599147915 567807651 /nfs/dbraw/zinc/80/76/51/567807651.db2.gz TYPLLKOXTVLQGC-GFCCVEGCSA-N 0 2 394.294 3.487 10 0 GGAELN O=C(Cc1ccc(Br)cc1O)Nc1nc(-c2ccccc2F)n[nH]1 ZINC000444696841 567810359 /nfs/dbraw/zinc/81/03/59/567810359.db2.gz WSEYOGZZHGFYKG-UHFFFAOYSA-N 0 2 391.200 3.260 10 0 GGAELN OC(=Cc1ccc(Br)s1)Nc1nc(-c2cccnc2)ns1 ZINC000534434195 567811573 /nfs/dbraw/zinc/81/15/73/567811573.db2.gz ZFULFOHSDULXHJ-UHFFFAOYSA-N 0 2 381.280 3.027 10 0 GGAELN CCOC(=O)N[C@@](Nc1ccc(F)c(F)c1F)(C(=O)OCC)C(F)(F)F ZINC000003138067 570330416 /nfs/dbraw/zinc/33/04/16/570330416.db2.gz FVFFXXRLOPTCOZ-ZDUSSCGKSA-N 0 2 388.264 3.084 10 0 GGAELN CCCOc1cccc(-c2nnc(CCC(=O)NC3CCCCC3)c(=O)[nH]2)c1 ZINC000034765214 570333552 /nfs/dbraw/zinc/33/35/52/570333552.db2.gz CSFIEAKMNCHQNI-UHFFFAOYSA-N 0 2 384.480 3.415 10 0 GGAELN CC[C@H](C)Oc1cccc(-c2nnc(CCC(=O)NC3CCCC3)c(=O)[nH]2)c1 ZINC000034765205 570333607 /nfs/dbraw/zinc/33/36/07/570333607.db2.gz YQOACSKAPXJNOT-AWEZNQCLSA-N 0 2 384.480 3.413 10 0 GGAELN O=C(CCc1nnc(-c2ccc(F)c(F)c2)[nH]c1=O)NCCCc1ccccc1 ZINC000034768375 570333956 /nfs/dbraw/zinc/33/39/56/570333956.db2.gz HKADLMXLTPCFNZ-UHFFFAOYSA-N 0 2 398.413 3.204 10 0 GGAELN O=C(CCc1nnc(-c2ccc(F)c(F)c2)[nH]c1=O)N1CCc2ccccc2C1 ZINC000034768359 570333991 /nfs/dbraw/zinc/33/39/91/570333991.db2.gz GMZJBWNDMIZXBZ-UHFFFAOYSA-N 0 2 396.397 3.040 10 0 GGAELN Cc1ccc([C@H](C(=O)[O-])[NH+]2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 ZINC000012979554 570386193 /nfs/dbraw/zinc/38/61/93/570386193.db2.gz GJGCGOAUYTZPGQ-QGZVFWFLSA-N 0 2 379.382 3.357 10 0 GGAELN Cc1noc(C)c1C(=O)N(Cc1ccccc1)Cc1nc(=O)c2sccc2[nH]1 ZINC000011707090 570408798 /nfs/dbraw/zinc/40/87/98/570408798.db2.gz KXNWIVHNRVBCSA-UHFFFAOYSA-N 0 2 394.456 3.432 10 0 GGAELN COc1ccc(-c2cccc(NS(=O)(=O)c3ccc(F)cc3F)c2)nn1 ZINC000005204204 570506179 /nfs/dbraw/zinc/50/61/79/570506179.db2.gz PMROXDCCNBCILW-UHFFFAOYSA-N 0 2 377.372 3.231 10 0 GGAELN CC(C)CNC(=O)C1(c2ccc(NS(=O)(=O)c3ccccc3F)cc2)CC1 ZINC000033274790 570523061 /nfs/dbraw/zinc/52/30/61/570523061.db2.gz DHJVWGLOZFNEOK-UHFFFAOYSA-N 0 2 390.480 3.430 10 0 GGAELN CC[C@@H](C)NC(=O)C1(c2ccc(NS(=O)(=O)c3c(C)noc3C)cc2)CC1 ZINC000033274553 570523320 /nfs/dbraw/zinc/52/33/20/570523320.db2.gz DOIRTCRBADRGFK-GFCCVEGCSA-N 0 2 391.493 3.039 10 0 GGAELN COc1ccc(OC)c(NS(=O)(=O)c2ccc(-c3ccno3)cc2OC)c1 ZINC000064979558 570623999 /nfs/dbraw/zinc/62/39/99/570623999.db2.gz SEYUPFSQBWOLEK-UHFFFAOYSA-N 0 2 390.417 3.168 10 0 GGAELN O=S(=O)(Nc1cccc(OCCn2cccn2)c1)c1cc(F)ccc1F ZINC000036395927 570679595 /nfs/dbraw/zinc/67/95/95/570679595.db2.gz QXZVKINXQYKXNI-UHFFFAOYSA-N 0 2 379.388 3.041 10 0 GGAELN CCOC(=O)c1c(C)n(C)c(C)c1S(=O)(=O)Nc1ccccc1OCC ZINC000006887610 570682154 /nfs/dbraw/zinc/68/21/54/570682154.db2.gz XPSMZOXDDWTURO-UHFFFAOYSA-N 0 2 380.466 3.018 10 0 GGAELN CCn1nc(-c2csc(S(=O)(=O)Nc3ccc(F)cc3C)c2)ccc1=O ZINC000065129056 570704624 /nfs/dbraw/zinc/70/46/24/570704624.db2.gz MGVWHLGWQXFITD-UHFFFAOYSA-N 0 2 393.465 3.240 10 0 GGAELN CCOc1ccccc1NS(=O)(=O)c1c(C)n(C)c(C)c1-c1nnc(C)o1 ZINC000065194108 570725709 /nfs/dbraw/zinc/72/57/09/570725709.db2.gz ZGTWKOKSDOLYLM-UHFFFAOYSA-N 0 2 390.465 3.200 10 0 GGAELN COc1ccc(-c2nnc(SCC(=O)N[C@H]3CCCC[C@H]3C)[nH]c2=O)cc1 ZINC000032778633 570811646 /nfs/dbraw/zinc/81/16/46/570811646.db2.gz UVOSGCORVLOCON-DOMZBBRYSA-N 0 2 388.493 3.040 10 0 GGAELN CCOCc1ccccc1NS(=O)(=O)c1cc2c(cc1F)NC(=O)CC2 ZINC000060443731 570812819 /nfs/dbraw/zinc/81/28/19/570812819.db2.gz XKQCBODARINRLC-UHFFFAOYSA-N 0 2 378.425 3.048 10 0 GGAELN Cc1ccc(N(Cc2nn3c(nc(C)cc3=O)[nH]2)C(=O)c2ccccc2F)cc1 ZINC000101583338 570826751 /nfs/dbraw/zinc/82/67/51/570826751.db2.gz UTHRDYOJBWFJIH-UHFFFAOYSA-N 0 2 391.406 3.021 10 0 GGAELN Cn1c(=O)[nH]c(O)c(C2=Nc3ccccc3S[C@H](c3ccc(F)cc3)C2)c1=O ZINC000101767298 570831270 /nfs/dbraw/zinc/83/12/70/570831270.db2.gz NRZICLSHVLRYPZ-INIZCTEOSA-N 0 2 397.431 3.276 10 0 GGAELN Cn1c(O)c(C2=Nc3ccccc3S[C@H](c3ccc(F)cc3)C2)c(=O)[nH]c1=O ZINC000101767298 570831274 /nfs/dbraw/zinc/83/12/74/570831274.db2.gz NRZICLSHVLRYPZ-INIZCTEOSA-N 0 2 397.431 3.276 10 0 GGAELN Cc1ccc(C(=O)N(Cc2nn3c(nc(C)cc3=O)[nH]2)c2ccc(F)cc2)cc1 ZINC000101802034 570835003 /nfs/dbraw/zinc/83/50/03/570835003.db2.gz NRIQZTULTWHODA-UHFFFAOYSA-N 0 2 391.406 3.021 10 0 GGAELN Cc1cccc(N(Cc2nn3c(nc(C)cc3=O)[nH]2)C(=O)c2ccccc2C)c1 ZINC000101802243 570835191 /nfs/dbraw/zinc/83/51/91/570835191.db2.gz IYQPESDPTQPEAY-UHFFFAOYSA-N 0 2 387.443 3.190 10 0 GGAELN Cc1cccc(C(=O)N(Cc2nn3c(nc(C)cc3=O)[nH]2)c2ccc(F)cc2)c1 ZINC000101802056 570835382 /nfs/dbraw/zinc/83/53/82/570835382.db2.gz GROCPPZODOFYFN-UHFFFAOYSA-N 0 2 391.406 3.021 10 0 GGAELN COc1cc(S(=O)(=O)Nc2ccnn2Cc2ccc(C)cc2)ccc1F ZINC000252532985 570989640 /nfs/dbraw/zinc/98/96/40/570989640.db2.gz FQAVHARMXHPKMO-UHFFFAOYSA-N 0 2 375.425 3.188 10 0 GGAELN Cc1nn(C)c2[nH]c(C(=O)Nc3cc(CCc4ccccc4)ccn3)cc(=O)c12 ZINC000170654393 570998976 /nfs/dbraw/zinc/99/89/76/570998976.db2.gz VAEJGCSQEFEYPI-UHFFFAOYSA-N 0 2 387.443 3.003 10 0 GGAELN Cc1nn(-c2ccc(F)cc2F)c2c1C(=C(O)c1ccc(O)cc1)CC(=O)N2 ZINC000046057217 571017414 /nfs/dbraw/zinc/01/74/14/571017414.db2.gz BMNTWNXRWVYCLV-AWEZNQCLSA-N 0 2 383.354 3.473 10 0 GGAELN CNC(=O)c1ccc(S(=O)(=O)Nc2nc3c(s2)c(C)ccc3C)cc1 ZINC000066249845 642904231 /nfs/dbraw/zinc/90/42/31/642904231.db2.gz CMCSLBZFBZKEBH-UHFFFAOYSA-N 0 2 375.475 3.074 10 0 GGAELN COc1ccc(NC(=O)CC2SC(N3CCC[C@H](C)C3)=NC2=O)cc1Cl ZINC000055117716 1406889808 /nfs/dbraw/zinc/88/98/08/1406889808.db2.gz HOGRPWGURUQKTI-XHDPSFHLSA-N 0 2 395.912 3.407 10 0 GGAELN O=C(c1ccc2c(c1)[nH]c(=S)n(CCC1=CCCCC1)c2=O)N1CCOCC1 ZINC000003043689 1398325491 /nfs/dbraw/zinc/32/54/91/1398325491.db2.gz MZDBQUOWVYNAQJ-UHFFFAOYSA-N 0 2 399.516 3.048 10 0 GGAELN O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)[nH]c(=S)n(Cc1ccccc1)c2=O ZINC000003630420 1398375384 /nfs/dbraw/zinc/37/53/84/1398375384.db2.gz RKHUUTCKCVPAKS-INIZCTEOSA-N 0 2 395.484 3.016 10 0 GGAELN O=C(NC[C@H]1CCCO1)c1ccc2c(c1)[nH]c(=S)n(Cc1ccccc1)c2=O ZINC000003630418 1398375409 /nfs/dbraw/zinc/37/54/09/1398375409.db2.gz RKHUUTCKCVPAKS-MRXNPFEDSA-N 0 2 395.484 3.016 10 0 GGAELN O=C(NN1C(=O)NC2(CCCCC2)C1=O)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000008278326 1398819302 /nfs/dbraw/zinc/81/93/02/1398819302.db2.gz JERRXMDKPXQZOD-UHFFFAOYSA-N 0 2 387.823 3.500 10 0 GGAELN COc1ccccc1NS(=O)(=O)c1c(C)[nH]c(C)c1C(=O)N1CCCCC1 ZINC000009684596 1398863543 /nfs/dbraw/zinc/86/35/43/1398863543.db2.gz JPMUDHXPSYMNKK-UHFFFAOYSA-N 0 2 391.493 3.067 10 0 GGAELN O=C(Nc1ccn(-c2ccccc2Cl)n1)c1cccc(Nc2nn[nH]n2)c1 ZINC001150565267 1426309745 /nfs/dbraw/zinc/30/97/45/1426309745.db2.gz IKLMOMBDMUJEDC-UHFFFAOYSA-N 0 2 380.799 3.035 10 0 GGAELN C[C@H](O)c1ccccc1NS(=O)(=O)c1cc(Br)cnc1Cl ZINC000049546792 1405383900 /nfs/dbraw/zinc/38/39/00/1405383900.db2.gz NQUCWOANNSKCKR-QMMMGPOBSA-N 0 2 391.674 3.352 10 0 GGAELN O=S(=O)(Nc1cnn(C2CCOCC2)c1)c1ccc(C(F)(F)F)cc1 ZINC000096384324 1410329834 /nfs/dbraw/zinc/32/98/34/1410329834.db2.gz JOFYAXTVZIOEEY-UHFFFAOYSA-N 0 2 375.372 3.054 10 0 GGAELN COc1ccc(C(=O)C=C(O)C(=O)Nc2ccc(Br)cc2F)cc1 ZINC000101354890 1410441596 /nfs/dbraw/zinc/44/15/96/1410441596.db2.gz COLGZXZYFWPTSL-UHFFFAOYSA-N 0 2 394.196 3.377 10 0 GGAELN O=C(c1nn(-c2ccc(Cl)cc2)cc1[O-])N1CC[NH+](Cc2ccccc2)CC1 ZINC000176940425 1428526197 /nfs/dbraw/zinc/52/61/97/1428526197.db2.gz BOHUTNZIWNRWQY-UHFFFAOYSA-N 0 2 396.878 3.189 10 0 GGAELN CC(C)n1nc(-c2ccccc2)cc1NS(=O)(=O)c1ccc2c(c1)CC(=O)N2 ZINC000114054345 1412378048 /nfs/dbraw/zinc/37/80/48/1412378048.db2.gz FONSOCABAQEHIJ-UHFFFAOYSA-N 0 2 396.472 3.426 10 0 GGAELN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)[C@H]1C[C@H]1c1c(F)cccc1F ZINC000115983809 1412819829 /nfs/dbraw/zinc/81/98/29/1412819829.db2.gz HNMXTSOZQAJOGG-ZJUUUORDSA-N 0 2 375.400 3.025 10 0 GGAELN O=S(=O)(Nc1ccc(Oc2ncccn2)cc1)c1ccc(F)c(F)c1F ZINC000119799550 1413573937 /nfs/dbraw/zinc/57/39/37/1413573937.db2.gz DFXKWSSPAZAWMD-UHFFFAOYSA-N 0 2 381.335 3.487 10 0 GGAELN Cn1nc(C2CCC2)cc1NS(=O)(=O)c1cc(Br)ccc1F ZINC000128828922 1416079154 /nfs/dbraw/zinc/07/91/54/1416079154.db2.gz IZDXMNSIZXUNGD-UHFFFAOYSA-N 0 2 388.262 3.390 10 0 GGAELN O=C(c1cccc(Nc2nn[nH]n2)c1)N1CC[C@@H](CSc2ccccc2)C1 ZINC000900876453 1429272300 /nfs/dbraw/zinc/27/23/00/1429272300.db2.gz SJSGXXWTFDEYHJ-CQSZACIVSA-N 0 2 380.477 3.198 10 0 GGAELN O=C(c1cccc(Nc2nn[nH]n2)c1)N1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 ZINC000911923208 1426490520 /nfs/dbraw/zinc/49/05/20/1426490520.db2.gz MMLZXUBIHJQFPJ-FHWLQOOXSA-N 0 2 390.447 3.078 10 0 GGAELN Cc1cnn([C@@H]2CCCN(C(=O)C3=NN(c4ccc(F)cc4C)CC3=O)C2)c1 ZINC000176013271 1428027405 /nfs/dbraw/zinc/02/74/05/1428027405.db2.gz YGYZDRSYSDRFPB-MRXNPFEDSA-N 0 2 383.427 3.008 10 0 GGAELN Cn1c(CNC(=O)C2=NN(c3ccc(Cl)cc3)CC2=O)nc2ccccc21 ZINC000193703912 1433043741 /nfs/dbraw/zinc/04/37/41/1433043741.db2.gz CRNHCYFCMURJPP-UHFFFAOYSA-N 0 2 381.823 3.048 10 0 GGAELN Cc1ccc(S(=O)(=O)Nc2ccccc2N2C[C@@H](C)O[C@H](C)C2)c(Cl)n1 ZINC000193814247 1433065385 /nfs/dbraw/zinc/06/53/85/1433065385.db2.gz GSCRNRIWGFRUEZ-ZIAGYGMSSA-N 0 2 395.912 3.458 10 0 GGAELN CC[S@](=O)[C@H]1CCC[C@H](NC(=O)C2=NN(c3ccc(Cl)cc3)CC2=O)C1 ZINC000194275242 1433154054 /nfs/dbraw/zinc/15/40/54/1433154054.db2.gz FPWMCYAFNHTNKI-NVJDNPAZSA-N 0 2 395.912 3.041 10 0 GGAELN COc1cc(S(=O)(=O)Nc2nnc(-c3ccc4c(c3)CCC4)o2)ccc1F ZINC000194814158 1433238879 /nfs/dbraw/zinc/23/88/79/1433238879.db2.gz LXFYAGMPZBDFCQ-UHFFFAOYSA-N 0 2 389.408 3.174 10 0 GGAELN CC[C@H](C)[C@H](NC(=O)c1cccc(Nc2nn[nH]n2)c1)c1nc2ccccc2[nH]1 ZINC001136294627 1441705611 /nfs/dbraw/zinc/70/56/11/1441705611.db2.gz HLBKYDQLVNTXMZ-SJCJKPOMSA-N 0 2 390.451 3.337 10 0 GGAELN O=C(NC1(c2ccc(Br)cc2)CC1)c1cccc(Nc2nn[nH]n2)c1 ZINC001136322384 1441851297 /nfs/dbraw/zinc/85/12/97/1441851297.db2.gz OAMPFYJWNLTNFV-UHFFFAOYSA-N 0 2 399.252 3.125 10 0 GGAELN C[C@@H](NC(=O)c1cccc(Nc2nn[nH]n2)c1)c1cccc(N2CCCC2)c1 ZINC000901013426 1441935838 /nfs/dbraw/zinc/93/58/38/1441935838.db2.gz VFWDPLREKROTSG-CQSZACIVSA-N 0 2 377.452 3.035 10 0 GGAELN COCCCCN(Cc1ccccc1)C(=O)c1cccc(Nc2nn[nH]n2)c1 ZINC000900367778 1442145319 /nfs/dbraw/zinc/14/53/19/1442145319.db2.gz STNDPMWVITTYLX-UHFFFAOYSA-N 0 2 380.452 3.012 10 0 GGAELN Cc1cc(NC(=O)c2cccc(Nc3nn[nH]n3)c2)ccc1N1CCSCC1 ZINC000900475259 1443763206 /nfs/dbraw/zinc/76/32/06/1443763206.db2.gz FUMOFPBUHUOYBH-UHFFFAOYSA-N 0 2 395.492 3.057 10 0 GGAELN C[C@@H]1[C@@H](c2cccc(Cl)c2)OCCN1C(=O)c1cccc(Nc2nn[nH]n2)c1 ZINC000912519401 1447073089 /nfs/dbraw/zinc/07/30/89/1447073089.db2.gz NIJKWSYDFHCMHJ-PXAZEXFGSA-N 0 2 398.854 3.199 10 0 GGAELN CC1=Nc2ccccc2C12CCN(C(=O)c1cccc(Nc3nn[nH]n3)c1)CC2 ZINC000911861684 1449100297 /nfs/dbraw/zinc/10/02/97/1449100297.db2.gz VFLUTDKJIIYULV-UHFFFAOYSA-N 0 2 387.447 3.223 10 0 GGAELN COc1ccc([C@@H]2CCCN2C(=O)c2cccc(Nc3nn[nH]n3)c2)cc1F ZINC000912460386 1449785785 /nfs/dbraw/zinc/78/57/85/1449785785.db2.gz CCQLPMGWKWOBEV-INIZCTEOSA-N 0 2 382.399 3.068 10 0 GGAELN C[C@@H](NC(=O)c1cccc(Nc2nn[nH]n2)c1)c1cccc(C(F)(F)F)c1 ZINC001135299663 1450144646 /nfs/dbraw/zinc/14/46/46/1450144646.db2.gz NGHAAVTZXMCMEY-SNVBAGLBSA-N 0 2 376.342 3.453 10 0 GGAELN O=C([O-])C1(NC(=O)N[C@@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)CCCCC1 ZINC000780570723 939134621 /nfs/dbraw/zinc/13/46/21/939134621.db2.gz JXNMZNZCDBPYJO-CQSZACIVSA-N 0 2 395.450 3.016 10 0 GGAELN O=C([O-])C1(NC(=O)N[C@@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)CCCCC1 ZINC000780570723 939134625 /nfs/dbraw/zinc/13/46/25/939134625.db2.gz JXNMZNZCDBPYJO-CQSZACIVSA-N 0 2 395.450 3.016 10 0 GGAELN COc1ccc2c(c1)CCC[C@]2([NH2+]Cc1cnc([C@H]2CCCO2)s1)C(=O)[O-] ZINC000580419809 1126098306 /nfs/dbraw/zinc/09/83/06/1126098306.db2.gz DGUAMMNBPIVZGQ-YLJYHZDGSA-N 0 2 388.489 3.409 10 0 GGAELN Cc1ccc(S(=O)(=O)Nc2nc(CC(=O)N3CCC[C@H](C)C3)cs2)cc1 ZINC000017051035 210201328 /nfs/dbraw/zinc/20/13/28/210201328.db2.gz OPIWVPBHRGVWCY-AWEZNQCLSA-N 0 2 393.534 3.053 10 0 GGAELN CC(=O)Nc1nc2cc(NS(=O)(=O)c3cc(F)ccc3F)ccc2s1 ZINC000015870135 210177915 /nfs/dbraw/zinc/17/79/15/210177915.db2.gz ATWFQFHWUAOTQZ-UHFFFAOYSA-N 0 2 383.401 3.334 10 0 GGAELN CC(=O)c1cccc(NC(=O)CCc2c(C)[nH]n(-c3nc(C)cs3)c2=O)c1 ZINC000015858764 210175192 /nfs/dbraw/zinc/17/51/92/210175192.db2.gz LWNOXLTTYYUQIR-UHFFFAOYSA-N 0 2 384.461 3.425 10 0 GGAELN CC(=O)c1cccc(NC(=O)Cc2c(C)[nH]n(-c3nc(C)c(C)s3)c2=O)c1 ZINC000015858731 210173813 /nfs/dbraw/zinc/17/38/13/210173813.db2.gz HJTCHBZOQVRPBW-UHFFFAOYSA-N 0 2 384.461 3.343 10 0 GGAELN CCc1ccc(C(O)=CCC(=O)N(C)Cc2nc(=O)c3sccc3[nH]2)cc1 ZINC000014371083 210116045 /nfs/dbraw/zinc/11/60/45/210116045.db2.gz RVNSBXUZZCGGJL-UHFFFAOYSA-N 0 2 383.473 3.169 10 0 GGAELN COc1ccc(NC(=O)Nc2ccc3nc(NS(C)(=O)=O)sc3c2)cc1 ZINC000013348703 210059070 /nfs/dbraw/zinc/05/90/70/210059070.db2.gz BGLXABODJFXOJS-UHFFFAOYSA-N 0 2 392.462 3.320 10 0 GGAELN CCc1nc(-c2csc(S(=O)(=O)Nc3cccc(C(C)=O)c3)c2)no1 ZINC000013346290 210058853 /nfs/dbraw/zinc/05/88/53/210058853.db2.gz ANGSNPOSZASSDY-UHFFFAOYSA-N 0 2 377.447 3.364 10 0 GGAELN CCc1nc(-c2csc(S(=O)(=O)Nc3ccc(C(C)=O)cc3)c2)no1 ZINC000013346282 210058300 /nfs/dbraw/zinc/05/83/00/210058300.db2.gz SACUFUUYOGYHNZ-UHFFFAOYSA-N 0 2 377.447 3.364 10 0 GGAELN C/C=C/c1cc(C(=O)N(C)Cc2nc(=O)c3sccc3[nH]2)cc(OC)c1OC ZINC000012755882 210003166 /nfs/dbraw/zinc/00/31/66/210003166.db2.gz YQDRPBFLZTWGKG-AATRIKPKSA-N 0 2 399.472 3.307 10 0 GGAELN COC(=O)c1c(SCC(=O)Nc2ccc(C)cc2)[nH]c2ccccc2c1=O ZINC000006974079 209712369 /nfs/dbraw/zinc/71/23/69/209712369.db2.gz JQOJZRKDNOZUGM-UHFFFAOYSA-N 0 2 382.441 3.354 10 0 GGAELN CCOC(=O)c1[nH]c2ccccc2c1S(=O)(=O)c1cc(Cl)ccc1N ZINC000006403626 209232887 /nfs/dbraw/zinc/23/28/87/209232887.db2.gz JXTDGSSKFVIMSF-UHFFFAOYSA-N 0 2 378.837 3.413 10 0 GGAELN COc1cc(=O)c2c(O)c(OC)c(-c3cc(OC)c(OC)c(OC)c3)oc-2c1 ZINC000014436796 209192039 /nfs/dbraw/zinc/19/20/39/209192039.db2.gz SUNUQCQIFHHEOW-UHFFFAOYSA-N 0 2 388.372 3.209 10 0 in-vitro GGAELN Cc1ccc([C@@H]2CC(c3ccccc3)=Nc3nc(NS(C)(=O)=O)nn32)cc1 ZINC000100865667 211392897 /nfs/dbraw/zinc/39/28/97/211392897.db2.gz PHQVHKNFQFBUAU-KRWDZBQOSA-N 0 2 381.461 3.014 10 0 GGAELN COc1ccc(Cl)cc1NS(=O)(=O)c1c[nH]c(-c2nnc(C3CC3)o2)c1 ZINC000096321629 211335215 /nfs/dbraw/zinc/33/52/15/211335215.db2.gz YRQHDHYSZKKDGW-UHFFFAOYSA-N 0 2 394.840 3.405 10 0 GGAELN CCOC(=O)c1cccc(NS(=O)(=O)c2cc(-c3cc(C)[nH]n3)oc2C)c1 ZINC000096386729 211338633 /nfs/dbraw/zinc/33/86/33/211338633.db2.gz XSGBMISJGWXWCB-UHFFFAOYSA-N 0 2 389.433 3.264 10 0 GGAELN CCOC(=O)c1ccc(NS(=O)(=O)c2cc(-c3cc(C)[nH]n3)oc2C)cc1 ZINC000096386731 211338442 /nfs/dbraw/zinc/33/84/42/211338442.db2.gz OOSWQABYMHTAPX-UHFFFAOYSA-N 0 2 389.433 3.264 10 0 GGAELN COc1ccccc1NS(=O)(=O)c1c(C)[nH]c(-c2nnc(C3CC3)o2)c1C ZINC000096379502 211338122 /nfs/dbraw/zinc/33/81/22/211338122.db2.gz NAPCDESOPPTWOQ-UHFFFAOYSA-N 0 2 388.449 3.368 10 0 GGAELN COc1ccccc1NS(=O)(=O)c1c(C)[nH]c(C)c1-c1nc(C2CC2)no1 ZINC000096379869 211337599 /nfs/dbraw/zinc/33/75/99/211337599.db2.gz KZBILEUJRRSLIA-UHFFFAOYSA-N 0 2 388.449 3.368 10 0 GGAELN CCOC(=O)Nc1ccc(S(=O)(=O)Nc2ccnn2-c2ccccc2)cc1 ZINC000095496249 211249866 /nfs/dbraw/zinc/24/98/66/211249866.db2.gz BYRIRFKCSGBWOH-UHFFFAOYSA-N 0 2 386.433 3.242 10 0 GGAELN CCCC(=O)Nc1ccc(CNC(=O)c2c[nH]c3nc(C)ccc3c2=O)cc1 ZINC000071960191 211065822 /nfs/dbraw/zinc/06/58/22/211065822.db2.gz XFDQRGSKQNTJBA-UHFFFAOYSA-N 0 2 378.432 3.312 10 0 GGAELN CSc1cccc(NS(=O)(=O)c2cc(-c3ccc(=O)n(C)n3)cs2)c1 ZINC000065128919 210967646 /nfs/dbraw/zinc/96/76/46/210967646.db2.gz NBUIDBGJQYOGTK-UHFFFAOYSA-N 0 2 393.515 3.032 10 0 GGAELN Cc1nn(-c2ccc(F)cc2F)c2c1C(=C(O)c1ccc(O)cc1)CC(=O)N2 ZINC000046057220 210832660 /nfs/dbraw/zinc/83/26/60/210832660.db2.gz BMNTWNXRWVYCLV-CQSZACIVSA-N 0 2 383.354 3.473 10 0 GGAELN CC[C@H](C)NC(=O)CCc1nnc(-c2ccc(OCC3CCC3)cc2)[nH]c1=O ZINC000034764013 210665805 /nfs/dbraw/zinc/66/58/05/210665805.db2.gz KVMUKSNZICUPKL-AWEZNQCLSA-N 0 2 384.480 3.270 10 0 GGAELN CN(Cc1cccc(NS(=O)(=O)c2ccccc2F)c1)C(=O)C(F)(F)F ZINC000032596540 210579021 /nfs/dbraw/zinc/57/90/21/210579021.db2.gz LBEPXARBQFHGQI-UHFFFAOYSA-N 0 2 390.358 3.147 10 0 GGAELN COc1ccc(Cl)cc1NC(=O)Cc1c(C)[nH]n(-c2nc(C)cs2)c1=O ZINC000021801953 210394608 /nfs/dbraw/zinc/39/46/08/210394608.db2.gz VVLMWGIHPVZIGT-UHFFFAOYSA-N 0 2 392.868 3.494 10 0 GGAELN CC(=O)Nc1ccc(NS(=O)(=O)c2ccc(-c3cc(C)no3)s2)cc1 ZINC000020978443 210371287 /nfs/dbraw/zinc/37/12/87/210371287.db2.gz PMGWQPWTVLTQRL-UHFFFAOYSA-N 0 2 377.447 3.471 10 0 GGAELN Cc1cc(C)c(NS(=O)(=O)c2ccc(-c3ccc(=O)[nH]n3)s2)c(C)c1 ZINC000020574736 210348219 /nfs/dbraw/zinc/34/82/19/210348219.db2.gz ZFVAXWZORGHMTC-UHFFFAOYSA-N 0 2 375.475 3.224 10 0 GGAELN COCc1csc(NS(=O)(=O)c2cc(C)c(Br)cc2C)n1 ZINC000117106211 564221396 /nfs/dbraw/zinc/22/13/96/564221396.db2.gz OUKUBRYAEXXIGS-UHFFFAOYSA-N 0 2 391.312 3.470 10 0 GGAELN O=C(CCCn1c(=O)c2sccc2[nH]c1=S)NCc1ccccc1F ZINC000002925414 564192388 /nfs/dbraw/zinc/19/23/88/564192388.db2.gz RQNOGFLSSCASKD-UHFFFAOYSA-N 0 2 377.466 3.356 10 0 GGAELN Cn1nnnc1SCc1nc(=O)c2sc(-c3ccc(Cl)cc3)cc2[nH]1 ZINC000006657542 564226239 /nfs/dbraw/zinc/22/62/39/564226239.db2.gz AUHUCAQVKGONJS-UHFFFAOYSA-N 0 2 390.881 3.121 10 0 GGAELN COC(=O)c1ccc(S(=O)(=O)N[C@H](c2ccc(F)cc2)C(F)(F)F)s1 ZINC000118435367 564240751 /nfs/dbraw/zinc/24/07/51/564240751.db2.gz WWIBOJTTZLHQFZ-GFCCVEGCSA-N 0 2 397.371 3.256 10 0 GGAELN CSCCCCNC(=O)Cc1ccc(NS(=O)(=O)c2cccs2)cc1 ZINC000119038931 564252082 /nfs/dbraw/zinc/25/20/82/564252082.db2.gz ZDOGMTDHWLFOIP-UHFFFAOYSA-N 0 2 398.575 3.351 10 0 GGAELN CSCCCCNC(=O)c1cccc(NS(=O)(=O)c2cccs2)c1 ZINC000119075776 564254312 /nfs/dbraw/zinc/25/43/12/564254312.db2.gz FXVFOCSHAJJXQL-UHFFFAOYSA-N 0 2 384.548 3.422 10 0 GGAELN COc1ccc(NS(=O)(=O)c2ccc(-c3cc(C)[nH]n3)s2)c(OC)c1 ZINC000009686389 564254353 /nfs/dbraw/zinc/25/43/53/564254353.db2.gz SOMSZSNUXQELHL-UHFFFAOYSA-N 0 2 379.463 3.265 10 0 GGAELN COC(=O)CSCc1nc(=O)c2sc(-c3ccc(OC)cc3)cc2[nH]1 ZINC000012942571 564272738 /nfs/dbraw/zinc/27/27/38/564272738.db2.gz FRXUGPYUJQGVSG-UHFFFAOYSA-N 0 2 376.459 3.066 10 0 GGAELN Cc1sc(Br)cc1S(=O)(=O)Nc1c[nH]nc1-c1ccccn1 ZINC000120812548 564338808 /nfs/dbraw/zinc/33/88/08/564338808.db2.gz GEEAFNZEDNPJFU-UHFFFAOYSA-N 0 2 399.295 3.405 10 0 GGAELN CCN1CCc2nc(NS(=O)(=O)c3ccccc3C(F)(F)F)sc2C1 ZINC000121492789 564371399 /nfs/dbraw/zinc/37/13/99/564371399.db2.gz QJAJMTYUVXNRNN-UHFFFAOYSA-N 0 2 391.440 3.341 10 0 GGAELN Cc1n[nH]cc1NS(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000123586324 564454817 /nfs/dbraw/zinc/45/48/17/564454817.db2.gz WTVYUUNKEXZIHT-UHFFFAOYSA-N 0 2 384.177 3.300 10 0 GGAELN Cc1ccc(C(=O)NC2CC2)cc1NS(=O)(=O)c1c(F)cccc1Cl ZINC000125547801 564518776 /nfs/dbraw/zinc/51/87/76/564518776.db2.gz FGHYXCKKJKUTRV-UHFFFAOYSA-N 0 2 382.844 3.481 10 0 GGAELN CO[C@@H](C)C(=O)Nc1cccc(NS(=O)(=O)c2c(F)cccc2Cl)c1 ZINC000125729578 564524753 /nfs/dbraw/zinc/52/47/53/564524753.db2.gz XNIIIFDFUADLKZ-JTQLQIEISA-N 0 2 386.832 3.253 10 0 GGAELN Cc1c(C[S@](C)=O)cccc1NS(=O)(=O)c1c(F)cccc1Cl ZINC000126107175 564536858 /nfs/dbraw/zinc/53/68/58/564536858.db2.gz MAQNKTIUBIXRAW-JOCHJYFZSA-N 0 2 375.874 3.467 10 0 GGAELN Cc1c(C[S@@](C)=O)cccc1NS(=O)(=O)c1c(F)cccc1Cl ZINC000126107338 564537158 /nfs/dbraw/zinc/53/71/58/564537158.db2.gz MAQNKTIUBIXRAW-QFIPXVFZSA-N 0 2 375.874 3.467 10 0 GGAELN NC(=O)c1ccc(NS(=O)(=O)c2sccc2Br)cc1Cl ZINC000048441005 564539466 /nfs/dbraw/zinc/53/94/66/564539466.db2.gz ZWOSAHNZJBCNPL-UHFFFAOYSA-N 0 2 395.687 3.064 10 0 GGAELN CCCc1cc(NS(=O)(=O)c2ccc(OCC)c(Br)c2)[nH]n1 ZINC000126522910 564551236 /nfs/dbraw/zinc/55/12/36/564551236.db2.gz KJGJPQVNGYWUGI-UHFFFAOYSA-N 0 2 388.287 3.324 10 0 GGAELN CCN1CCc2nc(NS(=O)(=O)c3cnc(Cl)c(Cl)c3)sc2C1 ZINC000127255268 564577912 /nfs/dbraw/zinc/57/79/12/564577912.db2.gz XRUITNYYQLQEOD-UHFFFAOYSA-N 0 2 393.321 3.024 10 0 GGAELN CCc1ccc(S(=O)(=O)Nc2cccc(-c3nnnn3C3CC3)c2)s1 ZINC000055579555 564624061 /nfs/dbraw/zinc/62/40/61/564624061.db2.gz XKKFVWABSRZJSB-UHFFFAOYSA-N 0 2 375.479 3.100 10 0 GGAELN Cc1c(F)cc(C(N)=O)cc1NS(=O)(=O)c1c(Cl)cccc1Cl ZINC000055615023 564626754 /nfs/dbraw/zinc/62/67/54/564626754.db2.gz OMXWXPPDHQKATB-UHFFFAOYSA-N 0 2 377.224 3.341 10 0 GGAELN O=S(=O)(Nc1cnoc1)c1cc(Br)ccc1Br ZINC000060393592 564698337 /nfs/dbraw/zinc/69/83/37/564698337.db2.gz SVIACCNMZDEEIW-UHFFFAOYSA-N 0 2 382.033 3.000 10 0 GGAELN O=S(=O)(Nc1cc(O)cc(F)c1)c1cc(F)c(Br)cc1F ZINC000131405229 564710984 /nfs/dbraw/zinc/71/09/84/564710984.db2.gz UNAUFLBARMURQY-UHFFFAOYSA-N 0 2 382.157 3.373 10 0 GGAELN O=C(Nc1cccc(Br)c1)c1c[nH]n(-c2ccc(F)cc2)c1=O ZINC000131826271 564725402 /nfs/dbraw/zinc/72/54/02/564725402.db2.gz DUEPEBFUZRYIDS-AWEZNQCLSA-N 0 2 376.185 3.176 10 0 GGAELN O=C(Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)s1)N1CCCC1 ZINC000064919574 564736138 /nfs/dbraw/zinc/73/61/38/564736138.db2.gz ADBMVSLEBLIHBK-UHFFFAOYSA-N 0 2 384.910 3.367 10 0 GGAELN Cc1ccc(NS(=O)(=O)c2ccc(CC(=O)N3CCCCC3)s2)cc1 ZINC000064919828 564736329 /nfs/dbraw/zinc/73/63/29/564736329.db2.gz DVDHZIAWWZERRU-UHFFFAOYSA-N 0 2 378.519 3.412 10 0 GGAELN O=C(Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)s1)N1CCCCC1 ZINC000064919721 564736660 /nfs/dbraw/zinc/73/66/60/564736660.db2.gz NBUAFNQKWGVBTH-UHFFFAOYSA-N 0 2 382.482 3.243 10 0 GGAELN COc1cccc(NS(=O)(=O)c2cc(-c3nnc(C4CC4)o3)cs2)c1 ZINC000065098687 564739235 /nfs/dbraw/zinc/73/92/35/564739235.db2.gz MVDKSGGTEQHFAL-UHFFFAOYSA-N 0 2 377.447 3.485 10 0 GGAELN Cc1cc(Cl)ccc1NS(=O)(=O)c1cc(-c2ccc(=O)[nH]n2)cs1 ZINC000065119283 564740444 /nfs/dbraw/zinc/74/04/44/564740444.db2.gz HBPQYLPZLPNJEO-UHFFFAOYSA-N 0 2 381.866 3.261 10 0 GGAELN Cc1ccc(Cl)cc1NS(=O)(=O)c1cc(-c2ccc(=O)n(C)n2)cs1 ZINC000065119436 564740504 /nfs/dbraw/zinc/74/05/04/564740504.db2.gz VGZGTQFYSATTNH-UHFFFAOYSA-N 0 2 395.893 3.271 10 0 GGAELN Cc1c(Cl)cccc1NS(=O)(=O)c1cc(-c2ccc(=O)[nH]n2)cs1 ZINC000065119330 564740553 /nfs/dbraw/zinc/74/05/53/564740553.db2.gz NTZHWPYNFXRTKM-UHFFFAOYSA-N 0 2 381.866 3.261 10 0 GGAELN Cc1nn2c(nc(C)c2S(=O)(=O)Nc2ccc(OC(F)(F)F)cc2)s1 ZINC000065183643 564740884 /nfs/dbraw/zinc/74/08/84/564740884.db2.gz KNLOMHARRHTDND-UHFFFAOYSA-N 0 2 392.384 3.107 10 0 GGAELN CCC(=O)N1CCc2sc(S(=O)(=O)Nc3ccc(F)cc3C)cc2C1 ZINC000065196182 564740923 /nfs/dbraw/zinc/74/09/23/564740923.db2.gz JXVGPGBWZLAKJX-UHFFFAOYSA-N 0 2 382.482 3.291 10 0 GGAELN COC(=O)c1sccc1S(=O)(=O)Nc1cccc(-c2ncc(C)o2)c1 ZINC000066814816 564775388 /nfs/dbraw/zinc/77/53/88/564775388.db2.gz IEXONXPSLWONSK-UHFFFAOYSA-N 0 2 378.431 3.299 10 0 GGAELN CN(C)c1ncc(NS(=O)(=O)c2c(Cl)cccc2C(F)(F)F)cn1 ZINC000133924464 564788948 /nfs/dbraw/zinc/78/89/48/564788948.db2.gz LEYVOSRWKZAQNY-UHFFFAOYSA-N 0 2 380.779 3.016 10 0 GGAELN CN(C)c1ncc(NS(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)cn1 ZINC000133959462 564790080 /nfs/dbraw/zinc/79/00/80/564790080.db2.gz RDYDBCHSWQIOSJ-UHFFFAOYSA-N 0 2 380.779 3.016 10 0 GGAELN CN(C)c1ncc(NS(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)cn1 ZINC000134003788 564790503 /nfs/dbraw/zinc/79/05/03/564790503.db2.gz UWEXDASXVWHYFD-UHFFFAOYSA-N 0 2 381.672 3.304 10 0 GGAELN Cc1cc(C)nc(-n2nccc2NS(=O)(=O)c2cccc(Cl)c2C)n1 ZINC000135250337 564826157 /nfs/dbraw/zinc/82/61/57/564826157.db2.gz XEQHLSNUNVGSDH-UHFFFAOYSA-N 0 2 377.857 3.042 10 0 GGAELN Cc1ccc(NS(=O)(=O)c2ccc(Br)cc2C(F)(F)F)nc1 ZINC000069674917 564842507 /nfs/dbraw/zinc/84/25/07/564842507.db2.gz MBNXEUSNSPPDLD-UHFFFAOYSA-N 0 2 395.200 3.394 10 0 GGAELN CC(C)CC(=O)NCCc1ccc(S(=O)(=O)Nc2cccc(F)c2)s1 ZINC000093906573 564892704 /nfs/dbraw/zinc/89/27/04/564892704.db2.gz LSGNESHXOJRYGM-UHFFFAOYSA-N 0 2 384.498 3.393 10 0 GGAELN COc1ccc(Br)c(S(=O)(=O)Nc2ccc3c(C)[nH]nc3c2)c1 ZINC000093909465 564892840 /nfs/dbraw/zinc/89/28/40/564892840.db2.gz URLDGAQDTCQYTF-UHFFFAOYSA-N 0 2 396.266 3.443 10 0 GGAELN COC(=O)c1ccc(S(=O)(=O)Nc2ccc3c(C)n[nH]c3c2)c(Cl)c1 ZINC000093909131 564893054 /nfs/dbraw/zinc/89/30/54/564893054.db2.gz SJYHUZRVGLCGRY-UHFFFAOYSA-N 0 2 379.825 3.112 10 0 GGAELN COC(=O)c1ccc(S(=O)(=O)Nc2ccc3c(C)[nH]nc3c2)c(Cl)c1 ZINC000093909131 564893059 /nfs/dbraw/zinc/89/30/59/564893059.db2.gz SJYHUZRVGLCGRY-UHFFFAOYSA-N 0 2 379.825 3.112 10 0 GGAELN O=C(c1cccs1)N1CCCN(C(=O)c2cc(F)cc(Cl)c2O)CC1 ZINC000151383576 564916984 /nfs/dbraw/zinc/91/69/84/564916984.db2.gz JBRZONSXRDYYEV-UHFFFAOYSA-N 0 2 382.844 3.235 10 0 GGAELN Cc1cc(=O)[nH]c(-c2ccc(NS(=O)(=O)c3ccc(Cl)s3)cc2)n1 ZINC000102841810 564937853 /nfs/dbraw/zinc/93/78/53/564937853.db2.gz KNFLTOMNSTXBRL-UHFFFAOYSA-N 0 2 381.866 3.261 10 0 GGAELN COc1cccc(-c2nsc(NS(=O)(=O)c3cc(F)cc(F)c3)n2)c1 ZINC000152502827 564961915 /nfs/dbraw/zinc/96/19/15/564961915.db2.gz WEMMPEBBBWILKN-UHFFFAOYSA-N 0 2 383.401 3.293 10 0 GGAELN COc1cccc(-c2nsc(NS(=O)(=O)c3ccc(F)cc3F)n2)c1 ZINC000152505474 564962458 /nfs/dbraw/zinc/96/24/58/564962458.db2.gz NPFPXNKVMJEVOZ-UHFFFAOYSA-N 0 2 383.401 3.293 10 0 GGAELN Cc1nc(CN2CCN(C(=O)c3ccc(Cl)c(Cl)c3O)CC2)cs1 ZINC000106455958 564983667 /nfs/dbraw/zinc/98/36/67/564983667.db2.gz VPDJCMIYQLHGQN-UHFFFAOYSA-N 0 2 386.304 3.422 10 0 GGAELN CC(=O)Nc1cccc(OCCNC(=O)c2ccc(Cl)c(Cl)c2O)c1 ZINC000106917783 564991649 /nfs/dbraw/zinc/99/16/49/564991649.db2.gz FDRRISIYMMOEEZ-UHFFFAOYSA-N 0 2 383.231 3.466 10 0 GGAELN Cn1cc(NC(=O)c2ccc(Cl)c(Cl)c2O)cc(Br)c1=O ZINC000153386005 564992753 /nfs/dbraw/zinc/99/27/53/564992753.db2.gz VDHRZZPGPVAGGF-UHFFFAOYSA-N 0 2 392.036 3.413 10 0 GGAELN COc1ccc(S(=O)(=O)Nc2nc3cc(Cl)ccc3n2C)cc1OC ZINC000107036728 564994120 /nfs/dbraw/zinc/99/41/20/564994120.db2.gz KJLKQOKOTCHQDU-UHFFFAOYSA-N 0 2 381.841 3.045 10 0 GGAELN COC(=O)c1sc(NS(=O)(=O)c2c(F)cccc2Cl)nc1C1CC1 ZINC000153538893 564999975 /nfs/dbraw/zinc/99/99/75/564999975.db2.gz KOFLOVLHBZRILA-UHFFFAOYSA-N 0 2 390.845 3.400 10 0 GGAELN CC(=O)N1CCCc2cc(S(=O)(=O)Nc3nc(C(C)C)cs3)ccc21 ZINC000153587630 565001636 /nfs/dbraw/zinc/00/16/36/565001636.db2.gz JGWHALIXFGEALE-UHFFFAOYSA-N 0 2 379.507 3.366 10 0 GGAELN CN1C(=S)N=NC1C1CCN(C(=O)c2ccc(Cl)c(Cl)c2O)CC1 ZINC000109628329 565028492 /nfs/dbraw/zinc/02/84/92/565028492.db2.gz NLOMXJVDUFGMDT-UHFFFAOYSA-N 0 2 387.292 3.136 10 0 GGAELN CCOC(=O)c1nnc(NC(=O)c2cc(-c3cccc(Cl)c3)no2)s1 ZINC000155097400 565061683 /nfs/dbraw/zinc/06/16/83/565061683.db2.gz TZKSVVYQJOQVGB-UHFFFAOYSA-N 0 2 378.797 3.276 10 0 GGAELN Cc1cc(S(=O)(=O)Nc2cc(C(C)C)nn2-c2ncccn2)c(C)s1 ZINC000112497168 565064003 /nfs/dbraw/zinc/06/40/03/565064003.db2.gz AHGVGTNLGPVHER-UHFFFAOYSA-N 0 2 377.495 3.265 10 0 GGAELN CCc1ccc(S(=O)(=O)Nc2ccc(N3C(=O)CCC3=O)c(C)c2)s1 ZINC000112624737 565065010 /nfs/dbraw/zinc/06/50/10/565065010.db2.gz DVHLQXMXVBDREJ-UHFFFAOYSA-N 0 2 378.475 3.073 10 0 GGAELN COC(=O)c1cc(S(=O)(=O)Nc2ccnn2[C@H](C)C2CC2)ccc1Cl ZINC000156753476 565104077 /nfs/dbraw/zinc/10/40/77/565104077.db2.gz SXPCHSSVYPHJFG-SNVBAGLBSA-N 0 2 383.857 3.095 10 0 GGAELN CC(=O)Nc1ccc(S(=O)(=O)Nc2ccnn2[C@H](C)C2CC2)cc1Cl ZINC000267226626 565110056 /nfs/dbraw/zinc/11/00/56/565110056.db2.gz VUHVLTUDCKLPCW-SNVBAGLBSA-N 0 2 382.873 3.267 10 0 GGAELN O=C(NC[C@@H](c1cccs1)N1CCOCC1)c1cc(F)c(O)c(Cl)c1 ZINC000184198445 565119209 /nfs/dbraw/zinc/11/92/09/565119209.db2.gz NEPGDMVLKJTTRE-AWEZNQCLSA-N 0 2 384.860 3.050 10 0 GGAELN CCOc1ccc(C(=O)N(C)C)cc1NS(=O)(=O)c1ccc(CC)s1 ZINC000267503234 565119267 /nfs/dbraw/zinc/11/92/67/565119267.db2.gz ZLZMGVOUDQMALZ-UHFFFAOYSA-N 0 2 382.507 3.212 10 0 GGAELN C[C@H](NC(=O)c1cc(F)c(O)c(Cl)c1)c1ccccc1NS(C)(=O)=O ZINC000184262550 565124125 /nfs/dbraw/zinc/12/41/25/565124125.db2.gz POJDWEBTCUFQDV-VIFPVBQESA-N 0 2 386.832 3.047 10 0 GGAELN CCc1nc(CN2CCN(C(=O)c3cc(F)c(O)c(Cl)c3)CC2)cs1 ZINC000184317123 565128059 /nfs/dbraw/zinc/12/80/59/565128059.db2.gz JDRRIOTYQJUVHT-UHFFFAOYSA-N 0 2 383.876 3.162 10 0 GGAELN CCCCN(C)C(=O)c1ccccc1S(=O)(=O)Nc1sc(C)nc1C ZINC000267992464 565136565 /nfs/dbraw/zinc/13/65/65/565136565.db2.gz JVQPPMITBSJCSO-UHFFFAOYSA-N 0 2 381.523 3.433 10 0 GGAELN O=C(C[C@@H]1COCCN1C(=O)c1cc(F)c(O)c(Cl)c1)c1cccs1 ZINC000184486512 565138437 /nfs/dbraw/zinc/13/84/37/565138437.db2.gz GMBWLEWYTFMCFG-LLVKDONJSA-N 0 2 383.828 3.360 10 0 GGAELN CC(C)C[C@@H](NC(=O)c1cc(F)c(O)c(Cl)c1)C(=O)Nc1nccs1 ZINC000184526806 565141660 /nfs/dbraw/zinc/14/16/60/565141660.db2.gz JSBGULKYBXRBIV-GFCCVEGCSA-N 0 2 385.848 3.424 10 0 GGAELN C[C@H]1CCCN1S(=O)(=O)Nc1cc(Cl)ccc1C(=O)N1CCCCC1 ZINC000185196021 565186130 /nfs/dbraw/zinc/18/61/30/565186130.db2.gz TYULXHGBBYMUGO-ZDUSSCGKSA-N 0 2 385.917 3.107 10 0 GGAELN Cn1ccnc1C[NH+]1CCC(C(=O)Nc2cc(Cl)c([O-])c(Cl)c2)CC1 ZINC000159268071 565199252 /nfs/dbraw/zinc/19/92/52/565199252.db2.gz CKGJFLASNOMFCO-UHFFFAOYSA-N 0 2 383.279 3.283 10 0 GGAELN CN1C(=O)C[C@@H](C(=O)Nc2cc(Cl)c(O)c(Cl)c2)[C@H]1c1cccnc1 ZINC000159302822 565201980 /nfs/dbraw/zinc/20/19/80/565201980.db2.gz ONXHGRQSYIGSDA-IAQYHMDHSA-N 0 2 380.231 3.252 10 0 GGAELN O=S(=O)(Nc1ncccn1)c1ccc(Br)cc1C(F)(F)F ZINC000185643347 565213685 /nfs/dbraw/zinc/21/36/85/565213685.db2.gz FPDIMANXJZMXGP-UHFFFAOYSA-N 0 2 382.161 3.059 10 0 GGAELN O=S(=O)(Nc1nnc(-c2ccsc2)s1)c1c(Cl)nc2ccccn21 ZINC000159911332 565224219 /nfs/dbraw/zinc/22/42/19/565224219.db2.gz HERGUXRAERCPCK-UHFFFAOYSA-N 0 2 397.894 3.369 10 0 GGAELN COC(=O)C(C)(C)c1csc(NS(=O)(=O)c2ccc3ncsc3c2)n1 ZINC000295167631 565248986 /nfs/dbraw/zinc/24/89/86/565248986.db2.gz FUIKPOHVTQDNHV-UHFFFAOYSA-N 0 2 397.503 3.004 10 0 GGAELN COc1cc(C(F)(F)F)cc(S(=O)(=O)Nc2cc(C3CC3)n(C)n2)c1 ZINC000295186758 565250747 /nfs/dbraw/zinc/25/07/47/565250747.db2.gz JZZPLMFBLHYUEK-UHFFFAOYSA-N 0 2 375.372 3.126 10 0 GGAELN COC(=O)C(C)(C)c1csc(NS(=O)(=O)/C=C/c2ccc(F)cc2)n1 ZINC000295204417 565252022 /nfs/dbraw/zinc/25/20/22/565252022.db2.gz NYMSFWBSPZENID-CMDGGOBGSA-N 0 2 384.454 3.145 10 0 GGAELN C[C@H](NC(=O)N=c1nc(-c2ccsc2)[nH]s1)c1nc(C(C)(C)C)no1 ZINC000373026327 565265506 /nfs/dbraw/zinc/26/55/06/565265506.db2.gz RPWFWDQRYAPBOG-QMMMGPOBSA-N 0 2 378.483 3.252 10 0 GGAELN O=C(N[C@H]1CCO[C@]2(CCSC2)C1)c1cc(Br)c(F)cc1O ZINC000295592522 565275640 /nfs/dbraw/zinc/27/56/40/565275640.db2.gz XPHAFOIXXOSJBX-BJOHPYRUSA-N 0 2 390.274 3.078 10 0 GGAELN O=C(N[C@@H]1CCO[C@@]2(CCSC2)C1)c1cc(Br)c(F)cc1O ZINC000295592541 565275777 /nfs/dbraw/zinc/27/57/77/565275777.db2.gz XPHAFOIXXOSJBX-PSLIRLAXSA-N 0 2 390.274 3.078 10 0 GGAELN CC(C)c1cccc(S(=O)(=O)Nc2nc3ccc(Br)cn3n2)c1 ZINC000186699583 565279574 /nfs/dbraw/zinc/27/95/74/565279574.db2.gz OIOPIROAJUTABJ-UHFFFAOYSA-N 0 2 395.282 3.416 10 0 GGAELN CCCCc1nnc(NS(=O)(=O)c2cc(OC)cc(C(F)(F)F)c2)o1 ZINC000295900310 565292395 /nfs/dbraw/zinc/29/23/95/565292395.db2.gz IGFBBCZRVFTJAO-UHFFFAOYSA-N 0 2 379.360 3.240 10 0 GGAELN COc1cc(C(F)(F)F)cc(S(=O)(=O)Nc2nnc(C(C)(C)C)o2)c1 ZINC000296110218 565302501 /nfs/dbraw/zinc/30/25/01/565302501.db2.gz XUHFMDKNYNGZMO-UHFFFAOYSA-N 0 2 379.360 3.195 10 0 GGAELN O=C(N=c1ccc(-c2ccc(Br)s2)n[nH]1)[C@H]1CCCOCC1 ZINC000373797705 565303634 /nfs/dbraw/zinc/30/36/34/565303634.db2.gz PKVLUAZMAYYXOP-JTQLQIEISA-N 0 2 382.283 3.145 10 0 GGAELN Cc1oc2ccc(NS(=O)(=O)c3ccccc3S(C)(=O)=O)cc2c1C ZINC000187056016 565306273 /nfs/dbraw/zinc/30/62/73/565306273.db2.gz BRQBGBCMYYHVCR-UHFFFAOYSA-N 0 2 379.459 3.254 10 0 GGAELN O=C(NCCc1nc(-c2ccccc2)n[nH]1)c1c(O)cc(Cl)cc1Cl ZINC000162941153 565332114 /nfs/dbraw/zinc/33/21/14/565332114.db2.gz YHFCOHAWDMZVON-UHFFFAOYSA-N 0 2 377.231 3.457 10 0 GGAELN O=C(NCCc1nnc(-c2ccccc2)[nH]1)c1c(O)cc(Cl)cc1Cl ZINC000162941153 565332118 /nfs/dbraw/zinc/33/21/18/565332118.db2.gz YHFCOHAWDMZVON-UHFFFAOYSA-N 0 2 377.231 3.457 10 0 GGAELN Cc1cc(C)c(-c2csc(NC(=O)CSc3n[nH]c(=O)[nH]3)n2)c(C)c1 ZINC000187632522 565346561 /nfs/dbraw/zinc/34/65/61/565346561.db2.gz UDZLLJSZCDCOMU-UHFFFAOYSA-N 0 2 375.479 3.290 10 0 GGAELN O=C(CSc1n[nH]c(=O)[nH]1)N1N=C(c2cccs2)C[C@H]1c1cccs1 ZINC000187641869 565346786 /nfs/dbraw/zinc/34/67/86/565346786.db2.gz WHVWGUTWUDCVDK-JTQLQIEISA-N 0 2 391.503 3.103 10 0 GGAELN COc1cc(Br)cc(S(=O)(=O)Nc2cc(C3CC3)nc(C)n2)c1 ZINC000187758697 565353446 /nfs/dbraw/zinc/35/34/46/565353446.db2.gz KZSXLOCWJCKHPN-UHFFFAOYSA-N 0 2 398.282 3.234 10 0 GGAELN CCn1nccc1S(=O)(=O)Nc1ccc(Sc2nnc(C)s2)cc1C ZINC000274454994 565371429 /nfs/dbraw/zinc/37/14/29/565371429.db2.gz RTBWEAIBCLXJHA-UHFFFAOYSA-N 0 2 395.535 3.323 10 0 GGAELN CCn1nccc1S(=O)(=O)Nc1ccc(Br)cc1C(F)(F)F ZINC000274495916 565372722 /nfs/dbraw/zinc/37/27/22/565372722.db2.gz JMDGHHKPEUNKDL-UHFFFAOYSA-N 0 2 398.204 3.485 10 0 GGAELN COCCc1cc(NS(=O)(=O)c2cc(Cl)cc(C(F)(F)F)c2)n(C)n1 ZINC000188092366 565377935 /nfs/dbraw/zinc/37/79/35/565377935.db2.gz GQIMFXQIBITGLK-UHFFFAOYSA-N 0 2 397.806 3.082 10 0 GGAELN CCc1ccc2nc(NS(=O)(=O)c3cnn(CC(F)(F)F)c3)sc2c1 ZINC000274748219 565379492 /nfs/dbraw/zinc/37/94/92/565379492.db2.gz NIKWYZOQPZIKQM-UHFFFAOYSA-N 0 2 390.412 3.418 10 0 GGAELN CC(C)N1CCc2nc(NS(=O)(=O)c3ccc4ncsc4c3)sc2C1 ZINC000274769756 565380531 /nfs/dbraw/zinc/38/05/31/565380531.db2.gz UNINIHRDPIMSNI-UHFFFAOYSA-N 0 2 394.547 3.320 10 0 GGAELN CC(=O)NCCc1ccc(S(=O)(=O)Nc2cccc(C(C)(F)F)c2)s1 ZINC000188562023 565409295 /nfs/dbraw/zinc/40/92/95/565409295.db2.gz YKPLGQPKVGDWLE-UHFFFAOYSA-N 0 2 388.461 3.339 10 0 GGAELN O=C(c1cc(Br)c(F)cc1O)N1CCC(c2ccncn2)CC1 ZINC000298374838 565411195 /nfs/dbraw/zinc/41/11/95/565411195.db2.gz PNKQLNDGQDAUEM-UHFFFAOYSA-N 0 2 380.217 3.104 10 0 GGAELN Cn1nccc1NS(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000171153412 565414159 /nfs/dbraw/zinc/41/41/59/565414159.db2.gz NIAUSLSJUVCTPJ-UHFFFAOYSA-N 0 2 384.177 3.002 10 0 GGAELN C[C@H](C[C@H](O)c1cccs1)NC(=O)N=c1nc(-c2ccsc2)[nH]s1 ZINC000376083475 565421657 /nfs/dbraw/zinc/42/16/57/565421657.db2.gz QQXMMTRTGQATHM-KOLCDFICSA-N 0 2 380.520 3.384 10 0 GGAELN Cc1cc(S(=O)(=O)Nc2c(C)nn(C)c2Oc2cccnc2)c(C)s1 ZINC000171344156 565426938 /nfs/dbraw/zinc/42/69/38/565426938.db2.gz WZLKMTXPWDGXHL-UHFFFAOYSA-N 0 2 378.479 3.395 10 0 GGAELN O=C(N[C@@H]1CCS(=O)(=O)c2ccccc21)c1ccc(Cl)c(Cl)c1O ZINC000171673584 565443006 /nfs/dbraw/zinc/44/30/06/565443006.db2.gz IBVLDFGAPRNTTI-GFCCVEGCSA-N 0 2 386.256 3.348 10 0 GGAELN COC(=O)C[C@](C)(NC(=O)c1ccc(Cl)c(Cl)c1O)c1ccccn1 ZINC000189114114 565444991 /nfs/dbraw/zinc/44/49/91/565444991.db2.gz AMEVGJIAEKSQMW-KRWDZBQOSA-N 0 2 383.231 3.302 10 0 GGAELN O=S(=O)(Nc1ncc(C(F)(F)F)s1)c1ccc2c(c1)OCCCO2 ZINC000276555226 565452760 /nfs/dbraw/zinc/45/27/60/565452760.db2.gz FWBMIEBIIPSVNR-UHFFFAOYSA-N 0 2 380.369 3.124 10 0 GGAELN Cc1nn(C)c(C)c1NS(=O)(=O)c1cccc(Cl)c1Br ZINC000276844929 565463421 /nfs/dbraw/zinc/46/34/21/565463421.db2.gz CVXGPVMPCHYZML-UHFFFAOYSA-N 0 2 378.679 3.254 10 0 GGAELN CC(C)[C@H](C)CNC(=O)Cc1ccc(NS(=O)(=O)c2cccs2)cc1 ZINC000172578742 565493228 /nfs/dbraw/zinc/49/32/28/565493228.db2.gz YPZBBTJPFVIUTL-CQSZACIVSA-N 0 2 380.535 3.500 10 0 GGAELN CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@@H](C)C2CCCC2)c(F)c1Cl ZINC000173151629 565531000 /nfs/dbraw/zinc/53/10/00/565531000.db2.gz LJJUQCGZUSBADE-QMMMGPOBSA-N 0 2 380.844 3.434 10 0 GGAELN COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(OC)c(OC)c1OC ZINC000278197294 565544985 /nfs/dbraw/zinc/54/49/85/565544985.db2.gz FLYATZFFBJSECJ-UHFFFAOYSA-N 0 2 387.841 3.175 10 0 GGAELN NC(=O)c1cccc(NS(=O)(=O)c2c(Cl)cccc2Br)c1 ZINC000385709098 565545636 /nfs/dbraw/zinc/54/56/36/565545636.db2.gz IPTNYHUASMGFKF-UHFFFAOYSA-N 0 2 389.658 3.002 10 0 GGAELN COc1cc(S(=O)(=O)Nc2ccnn2-c2cccc(Cl)c2)ccc1F ZINC000190981641 565575051 /nfs/dbraw/zinc/57/50/51/565575051.db2.gz ZJPJXLAQSACOKD-UHFFFAOYSA-N 0 2 381.816 3.474 10 0 GGAELN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)N1CCC2(C1)CCOCC2 ZINC000408210278 565599736 /nfs/dbraw/zinc/59/97/36/565599736.db2.gz ZPEXMTDRYRNNIR-UHFFFAOYSA-N 0 2 378.885 3.315 10 0 GGAELN CC[C@H]1CCc2nc(NS(=O)(=O)c3ccc(C(=O)OC)cc3)sc2C1 ZINC000409535655 565622233 /nfs/dbraw/zinc/62/22/33/565622233.db2.gz KRCDOIJCEQHSPK-NSHDSACASA-N 0 2 380.491 3.245 10 0 GGAELN COC(=O)Cc1ccc(S(=O)(=O)Nc2nc3ccc(C)cc3s2)cc1 ZINC000327297288 565629384 /nfs/dbraw/zinc/62/93/84/565629384.db2.gz YCWZWIIDICHWKH-UHFFFAOYSA-N 0 2 376.459 3.121 10 0 GGAELN O=C(Nc1cnn(-c2ncccn2)c1)c1cc(Br)cc(Cl)c1O ZINC000174351117 565630602 /nfs/dbraw/zinc/63/06/02/565630602.db2.gz ASYBURGCLFLIGT-UHFFFAOYSA-N 0 2 394.616 3.036 10 0 GGAELN O=C(NCCCCn1cc(Br)cn1)c1cc(F)c(O)c(Cl)c1 ZINC000280230654 565660537 /nfs/dbraw/zinc/66/05/37/565660537.db2.gz XPJGXWSJISTGHQ-UHFFFAOYSA-N 0 2 390.640 3.354 10 0 GGAELN CC1(CNC(=O)Cc2ccc(NS(=O)(=O)c3cccs3)cc2)CCC1 ZINC000175109879 565680437 /nfs/dbraw/zinc/68/04/37/565680437.db2.gz GUHDEKLEFSYUPQ-UHFFFAOYSA-N 0 2 378.519 3.398 10 0 GGAELN COC(=O)c1ccc(S(=O)(=O)Nc2csc3ccccc23)cc1OC ZINC000410395951 565681791 /nfs/dbraw/zinc/68/17/91/565681791.db2.gz SLFDSYMUPXSDCB-UHFFFAOYSA-N 0 2 377.443 3.497 10 0 GGAELN O=C1CCN1c1ccc(NS(=O)(=O)c2ccc(Br)s2)cc1 ZINC000410421212 565684776 /nfs/dbraw/zinc/68/47/76/565684776.db2.gz UPYJVZGPJGYGHK-UHFFFAOYSA-N 0 2 387.280 3.048 10 0 GGAELN Cc1ccsc1-c1nc(=NC(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)s[nH]1 ZINC000329967771 565687456 /nfs/dbraw/zinc/68/74/56/565687456.db2.gz SSWCLRXRNVTHJT-PXAZEXFGSA-N 0 2 378.523 3.156 10 0 GGAELN Cc1ccc(S(=O)(=O)C[C@H](C)NC(=O)c2cc(F)c(O)c(Cl)c2)cc1 ZINC000192526975 565697600 /nfs/dbraw/zinc/69/76/00/565697600.db2.gz OLEXDGFKQPCCLQ-NSHDSACASA-N 0 2 385.844 3.085 10 0 GGAELN O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)C1[C@@H]2CCCC[C@H]12 ZINC000175500011 565703093 /nfs/dbraw/zinc/70/30/93/565703093.db2.gz BLJHHUSJYXUUAD-YIONKMFJSA-N 0 2 377.491 3.319 10 0 GGAELN CC[C@H]1CCCC[C@@H]1NC(=O)C(=O)N=c1nc(-c2sccc2C)[nH]s1 ZINC000411145519 565715836 /nfs/dbraw/zinc/71/58/36/565715836.db2.gz CIQVDEYJGSFWAO-RYUDHWBXSA-N 0 2 378.523 3.020 10 0 GGAELN COc1ccc([C@@H](C)NS(=O)(=O)c2c(F)c(F)cc(F)c2F)cc1F ZINC000192887134 565717245 /nfs/dbraw/zinc/71/72/45/565717245.db2.gz KNIUVWLOQLVNDY-SSDOTTSWSA-N 0 2 381.322 3.430 10 0 GGAELN Cc1ccsc1-c1nc(=NC(=O)C(=O)N[C@@H](C)CCC(C)(C)C)s[nH]1 ZINC000411242726 565720189 /nfs/dbraw/zinc/72/01/89/565720189.db2.gz RTRBHERYIRYTIM-NSHDSACASA-N 0 2 380.539 3.266 10 0 GGAELN CC[C@H]1CCC[C@@H](NC(=O)C(=O)N=c2nc(-c3sccc3C)[nH]s2)C1 ZINC000411281497 565722628 /nfs/dbraw/zinc/72/26/28/565722628.db2.gz TYSWJQWACNLVEY-NWDGAFQWSA-N 0 2 378.523 3.020 10 0 GGAELN Cc1ccsc1-c1nc(=NC(=O)C(=O)N[C@H]2CCC[C@H](C)CC2)s[nH]1 ZINC000411449237 565730101 /nfs/dbraw/zinc/73/01/01/565730101.db2.gz SHFNZVWNRWCBMN-JQWIXIFHSA-N 0 2 378.523 3.020 10 0 GGAELN Cc1ccsc1-c1nc(=NC(=O)C(=O)NC(C)(C)c2cccs2)s[nH]1 ZINC000411519417 565733489 /nfs/dbraw/zinc/73/34/89/565733489.db2.gz SDIMQPOVMKQQJY-UHFFFAOYSA-N 0 2 392.531 3.048 10 0 GGAELN Cc1ccsc1-c1nc(=NC(=O)C(=O)NCC2CCCCCC2)s[nH]1 ZINC000411582598 565738218 /nfs/dbraw/zinc/73/82/18/565738218.db2.gz HCTXXAARASOPDJ-UHFFFAOYSA-N 0 2 378.523 3.022 10 0 GGAELN Cc1nn(C)c(C)c1NS(=O)(=O)c1c(Cl)cccc1Br ZINC000282290394 565772876 /nfs/dbraw/zinc/77/28/76/565772876.db2.gz VYEJDFOIHHYOGC-UHFFFAOYSA-N 0 2 378.679 3.254 10 0 GGAELN CC(C)Cc1nnc(NS(=O)(=O)c2c(Cl)cccc2Br)o1 ZINC000282325190 565774828 /nfs/dbraw/zinc/77/48/28/565774828.db2.gz PFGODWWZAIXGLU-UHFFFAOYSA-N 0 2 394.678 3.485 10 0 GGAELN CCN(CCc1nccs1)C(=O)C1=NN(c2ccc(Cl)cc2)CC1=O ZINC000194406968 565812387 /nfs/dbraw/zinc/81/23/87/565812387.db2.gz UYUXVYCAOMCBOV-UHFFFAOYSA-N 0 2 376.869 3.393 10 0 GGAELN O=C(NCCS(=O)(=O)c1ccc(Cl)cc1)c1cc(F)c(O)c(Cl)c1 ZINC000194479998 565816817 /nfs/dbraw/zinc/81/68/17/565816817.db2.gz RJKPWYYOUZNKAN-UHFFFAOYSA-N 0 2 392.235 3.042 10 0 GGAELN Cc1nn(C)c(Cl)c1S(=O)(=O)Nc1cnccc1-c1cccc(F)c1 ZINC000176978884 565819533 /nfs/dbraw/zinc/81/95/33/565819533.db2.gz MBXYVYNHSIZASW-UHFFFAOYSA-N 0 2 380.832 3.384 10 0 GGAELN CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1s[n-]c(=O)c1Cl ZINC000283535099 565821721 /nfs/dbraw/zinc/82/17/21/565821721.db2.gz UCAYNIDIBDYOGG-UHFFFAOYSA-N 0 2 380.901 3.276 10 0 GGAELN CC[N@@H+]1CCc2nc([N-]S(=O)(=O)Cc3cc(Cl)ccc3F)sc2C1 ZINC000194543846 565822325 /nfs/dbraw/zinc/82/23/25/565822325.db2.gz MECWTTYXFUDYCQ-UHFFFAOYSA-N 0 2 389.905 3.256 10 0 GGAELN CC[N@H+]1CCc2nc([N-]S(=O)(=O)Cc3cc(Cl)ccc3F)sc2C1 ZINC000194543846 565822332 /nfs/dbraw/zinc/82/23/32/565822332.db2.gz MECWTTYXFUDYCQ-UHFFFAOYSA-N 0 2 389.905 3.256 10 0 GGAELN COC(=O)c1sc(NS(=O)(=O)Cc2ccc(Cl)cc2Cl)nc1C ZINC000194549968 565822408 /nfs/dbraw/zinc/82/24/08/565822408.db2.gz KXOONUGJCXJDQE-UHFFFAOYSA-N 0 2 395.289 3.487 10 0 GGAELN O=S(=O)(Cc1ccc(Cl)cc1Cl)Nc1nc2c(s1)COCC2 ZINC000194586621 565824568 /nfs/dbraw/zinc/82/45/68/565824568.db2.gz BAVQQZUSUMTEDP-UHFFFAOYSA-N 0 2 379.290 3.465 10 0 GGAELN C[C@@H](Sc1n[nH]c(=O)[nH]1)c1nc(=O)c2c(-c3cccs3)csc2[nH]1 ZINC000194621983 565826630 /nfs/dbraw/zinc/82/66/30/565826630.db2.gz KFABECINHCKFQV-ZCFIWIBFSA-N 0 2 377.476 3.390 10 0 GGAELN Cc1cc(C)c(-c2csc(NC(=O)CSc3n[nH]c(=O)[nH]3)n2)cc1C ZINC000194632342 565828221 /nfs/dbraw/zinc/82/82/21/565828221.db2.gz ZXBROCZJGVAMNY-UHFFFAOYSA-N 0 2 375.479 3.290 10 0 GGAELN O=C(NCCOc1ccc(C(F)(F)F)cn1)c1cc(F)c(O)c(Cl)c1 ZINC000194845059 565842028 /nfs/dbraw/zinc/84/20/28/565842028.db2.gz NEUKZPGDFRFKQA-UHFFFAOYSA-N 0 2 378.709 3.407 10 0 GGAELN O=S(=O)(Nc1nnc(CC2CCCC2)o1)c1ccc(C(F)(F)F)nc1 ZINC000194899635 565847301 /nfs/dbraw/zinc/84/73/01/565847301.db2.gz OQMVQTRJITYGKK-UHFFFAOYSA-N 0 2 376.360 3.017 10 0 GGAELN Cc1cc(Br)ccc1S(=O)(=O)Nc1ccc(OC(C)C)nn1 ZINC000194983044 565851821 /nfs/dbraw/zinc/85/18/21/565851821.db2.gz HWBHZEKJVJFMLA-UHFFFAOYSA-N 0 2 386.271 3.136 10 0 GGAELN CC(C)Oc1ccc(NS(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)nn1 ZINC000194984049 565851840 /nfs/dbraw/zinc/85/18/40/565851840.db2.gz SWZYYAMOEFSPNE-UHFFFAOYSA-N 0 2 379.335 3.223 10 0 GGAELN Cc1c(Br)cccc1S(=O)(=O)Nc1ccc(OC(C)C)nn1 ZINC000194982745 565851963 /nfs/dbraw/zinc/85/19/63/565851963.db2.gz XJUDQPVEHRXNPV-UHFFFAOYSA-N 0 2 386.271 3.136 10 0 GGAELN O=S(=O)(CCc1ccccc1)c1n[nH]c(COc2ccc(Cl)cc2)n1 ZINC000195117135 565859774 /nfs/dbraw/zinc/85/97/74/565859774.db2.gz NKFCHJAHDLXSFT-UHFFFAOYSA-N 0 2 377.853 3.054 10 0 GGAELN O=S(=O)(Nc1cc(Cl)ccc1C(F)(F)F)c1cnn([C@@H]2CCOC2)c1 ZINC000284940187 565878679 /nfs/dbraw/zinc/87/86/79/565878679.db2.gz ANXVCCMJKRPHRL-SNVBAGLBSA-N 0 2 395.790 3.318 10 0 GGAELN O=S(=O)(Nc1nc(C2CCOCC2)cs1)c1c(Cl)nc2ccccn21 ZINC000284953379 565879114 /nfs/dbraw/zinc/87/91/14/565879114.db2.gz BNAORZDMDMNGSW-UHFFFAOYSA-N 0 2 398.897 3.139 10 0 GGAELN CCC1(NC(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)CCC1 ZINC000178079839 565895674 /nfs/dbraw/zinc/89/56/74/565895674.db2.gz PJAPAZRYRGXJFS-UHFFFAOYSA-N 0 2 380.495 3.398 10 0 GGAELN O=C(N=c1nc(-c2cccc(Cl)c2)[nH]s1)N1CC[C@H](O)CC12CCC2 ZINC000333862239 565900482 /nfs/dbraw/zinc/90/04/82/565900482.db2.gz QFBYDMSZOXHPBL-ZDUSSCGKSA-N 0 2 378.885 3.192 10 0 GGAELN CCOc1ccncc1S(=O)(=O)Nc1cccc(OCC(F)(F)F)c1 ZINC000414366322 565916445 /nfs/dbraw/zinc/91/64/45/565916445.db2.gz BDILIYATWDBFMP-UHFFFAOYSA-N 0 2 376.356 3.222 10 0 GGAELN O=S(=O)(Nc1nnc(-c2ccco2)s1)c1cnc2ccc(F)cc2c1 ZINC000225695883 565916452 /nfs/dbraw/zinc/91/64/52/565916452.db2.gz UUXYIFNHIOYXQI-UHFFFAOYSA-N 0 2 376.394 3.286 10 0 GGAELN CCOc1ccncc1S(=O)(=O)Nc1ccc(OC)cc1C(F)(F)F ZINC000414370230 565916976 /nfs/dbraw/zinc/91/69/76/565916976.db2.gz KIXWJRVXVJFAFU-UHFFFAOYSA-N 0 2 376.356 3.309 10 0 GGAELN CCn1ncc(NS(=O)(=O)c2ccc(Cl)c(OC)c2)c1C(F)(F)F ZINC000414382416 565919688 /nfs/dbraw/zinc/91/96/88/565919688.db2.gz KQFFGCYPQYXFFT-UHFFFAOYSA-N 0 2 383.779 3.385 10 0 GGAELN COC(=O)c1c(Cl)cccc1NS(=O)(=O)Cc1cc(C(C)(C)C)on1 ZINC000414397933 565923092 /nfs/dbraw/zinc/92/30/92/565923092.db2.gz QIUZSDGYCQOHQD-UHFFFAOYSA-N 0 2 386.857 3.354 10 0 GGAELN O=S(=O)(Nc1ccc(F)cc1N1CCOCC1)c1cccc(Cl)c1F ZINC000414396753 565923485 /nfs/dbraw/zinc/92/34/85/565923485.db2.gz PSIHCAIKKISZKO-UHFFFAOYSA-N 0 2 388.823 3.256 10 0 GGAELN Cc1cc(Br)cc(C)c1NS(=O)(=O)c1c(Cl)cnn1C ZINC000227867195 565924412 /nfs/dbraw/zinc/92/44/12/565924412.db2.gz YSQIRBKZRUPGMM-UHFFFAOYSA-N 0 2 378.679 3.254 10 0 GGAELN Cc1cc(NS(=O)(=O)c2c(Cl)cnn2C)cc(C)c1Br ZINC000228046111 565924971 /nfs/dbraw/zinc/92/49/71/565924971.db2.gz NXXXPHPSJFULHV-UHFFFAOYSA-N 0 2 378.679 3.254 10 0 GGAELN CC[C@@H]1CCc2nc(NS(=O)(=O)c3c(C(F)F)c(C)nn3C)sc2C1 ZINC000414441580 565933084 /nfs/dbraw/zinc/93/30/84/565933084.db2.gz ODSLTHWPTSVOFS-SECBINFHSA-N 0 2 390.481 3.438 10 0 GGAELN CN(C)Cc1csc(NS(=O)(=O)Cc2ccc(Cl)cc2Cl)n1 ZINC000414456844 565936417 /nfs/dbraw/zinc/93/64/17/565936417.db2.gz JUHSCZXDKPROIB-UHFFFAOYSA-N 0 2 380.322 3.453 10 0 GGAELN CCc1nc(NS(=O)(=O)c2csnc2C(=O)OC)sc1C(C)(C)C ZINC000414466751 565939191 /nfs/dbraw/zinc/93/91/91/565939191.db2.gz CJOPXWWZEWENQX-UHFFFAOYSA-N 0 2 389.524 3.047 10 0 GGAELN CCc1nc(NS(=O)(=O)c2ccc(C)c(C(N)=O)c2)sc1C(C)(C)C ZINC000414471616 565940185 /nfs/dbraw/zinc/94/01/85/565940185.db2.gz PQFTUSZYHMLJER-UHFFFAOYSA-N 0 2 381.523 3.211 10 0 GGAELN O=C(c1ccc(Cl)c(Cl)c1O)N1CCNC(=O)C[C@H]1c1ccccc1 ZINC000179442033 565980848 /nfs/dbraw/zinc/98/08/48/565980848.db2.gz CIRNMQDZTVYGMS-AWEZNQCLSA-N 0 2 379.243 3.402 10 0 GGAELN CN(C)C(=O)COc1cccc(NC(=O)c2ccc(Cl)c(Cl)c2O)c1 ZINC000179440252 565980918 /nfs/dbraw/zinc/98/09/18/565980918.db2.gz IAACMIIWRIYZTF-UHFFFAOYSA-N 0 2 383.231 3.418 10 0 GGAELN CC[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)c1ccc(Cl)c(Cl)c1O ZINC000179496670 565984470 /nfs/dbraw/zinc/98/44/70/565984470.db2.gz STIDKWJEHBIQMZ-KWQFWETISA-N 0 2 377.293 3.129 10 0 GGAELN O=C(C[C@H]1COCCN1C(=O)c1ccc(Cl)c(Cl)c1O)c1ccco1 ZINC000179829306 566010640 /nfs/dbraw/zinc/01/06/40/566010640.db2.gz NGWKHOACABPGSN-JTQLQIEISA-N 0 2 384.215 3.406 10 0 GGAELN CO[C@@H](C)c1nc(CNC(=O)N=c2nc(-c3ccsc3)[nH]s2)cs1 ZINC000363932015 566027413 /nfs/dbraw/zinc/02/74/13/566027413.db2.gz PKSKRHBRLYPPPE-QMMMGPOBSA-N 0 2 381.508 3.174 10 0 GGAELN O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000246415532 566028780 /nfs/dbraw/zinc/02/87/80/566028780.db2.gz BLJHHUSJYXUUAD-FICVDOATSA-N 0 2 377.491 3.319 10 0 GGAELN Cc1n[nH]cc1-c1nnc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)s1 ZINC000364173971 566037382 /nfs/dbraw/zinc/03/73/82/566037382.db2.gz KGXJVUKJUXOMBZ-UHFFFAOYSA-N 0 2 390.277 3.344 10 0 GGAELN Cc1n[nH]cc1-c1nnc(NS(=O)(=O)c2ccc(C(C)(C)C)s2)s1 ZINC000364581159 566059132 /nfs/dbraw/zinc/05/91/32/566059132.db2.gz QGDJRXGACKPGEC-UHFFFAOYSA-N 0 2 383.524 3.396 10 0 GGAELN O=S(=O)(CCOCC1CCCC1)N[C@H](c1cc(F)ccc1F)C(F)F ZINC000416472689 566073048 /nfs/dbraw/zinc/07/30/48/566073048.db2.gz BLVJPBSBJPSKRE-OAHLLOKOSA-N 0 2 383.407 3.397 10 0 GGAELN O=S(=O)(Nc1nnc(CC2CCCC2)o1)c1cccnc1C(F)(F)F ZINC000288633405 566083487 /nfs/dbraw/zinc/08/34/87/566083487.db2.gz SAOWHVXTMDAKHC-UHFFFAOYSA-N 0 2 376.360 3.017 10 0 GGAELN COC(=O)c1nc(NS(=O)(=O)c2ccc(F)c(OC)c2)sc1C(C)C ZINC000288652424 566085516 /nfs/dbraw/zinc/08/55/16/566085516.db2.gz UNMRIKQWFPQHGG-UHFFFAOYSA-N 0 2 388.442 3.002 10 0 GGAELN C[C@H]1CCOCCN1C(=O)N=c1ccc(-c2ccc(Br)s2)n[nH]1 ZINC000365433949 566101374 /nfs/dbraw/zinc/10/13/74/566101374.db2.gz DDPRXCWFVNCANT-JTQLQIEISA-N 0 2 397.298 3.032 10 0 GGAELN COc1cccc(-c2nsc(NS(=O)(=O)c3cccc(C)c3F)n2)c1 ZINC000181056941 566109507 /nfs/dbraw/zinc/10/95/07/566109507.db2.gz SVUJISZMOCQSBU-UHFFFAOYSA-N 0 2 379.438 3.462 10 0 GGAELN COc1cc(S(=O)(=O)Nc2ccnn2Cc2sccc2C)ccc1F ZINC000252536014 566115508 /nfs/dbraw/zinc/11/55/08/566115508.db2.gz HLELRIBVNGFVAR-UHFFFAOYSA-N 0 2 381.454 3.250 10 0 GGAELN CC(C)(C)n1cnc(=NC(=O)NCc2cc(Cl)cc(Br)c2)[nH]1 ZINC000416992746 566118244 /nfs/dbraw/zinc/11/82/44/566118244.db2.gz ZNJBAMHWZSLVEA-UHFFFAOYSA-N 0 2 386.681 3.193 10 0 GGAELN COC(=O)c1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)nc2)cc1Cl ZINC000181266257 566128257 /nfs/dbraw/zinc/12/82/57/566128257.db2.gz ZOSQSCYSVHUOBG-UHFFFAOYSA-N 0 2 394.758 3.341 10 0 GGAELN O=S(=O)(Nc1cncc(Br)c1)c1ccc(C(F)(F)F)nc1 ZINC000181324711 566132432 /nfs/dbraw/zinc/13/24/32/566132432.db2.gz MQVLOKRKNJRYIJ-UHFFFAOYSA-N 0 2 382.161 3.059 10 0 GGAELN Cc1nc(NS(=O)(=O)c2ccc(C(F)(F)F)nc2)ccc1Br ZINC000181318388 566132508 /nfs/dbraw/zinc/13/25/08/566132508.db2.gz WPPXOGZZOGDHEP-UHFFFAOYSA-N 0 2 396.188 3.367 10 0 GGAELN CCOC(=O)c1ccsc1NS(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000181347790 566134709 /nfs/dbraw/zinc/13/47/09/566134709.db2.gz SHDICOISKMASPC-UHFFFAOYSA-N 0 2 380.369 3.139 10 0 GGAELN O=C(N=c1nc(-c2ccsc2)[nH]s1)N1CCO[C@H](c2ccsc2)C1 ZINC000366098370 566135404 /nfs/dbraw/zinc/13/54/04/566135404.db2.gz QXYYVUJMIVFUMI-LBPRGKRZSA-N 0 2 378.504 3.355 10 0 GGAELN CN(Cc1ccc([S@](C)=O)cc1)C(=O)N=c1nc(-c2ccsc2)[nH]s1 ZINC000366091935 566135799 /nfs/dbraw/zinc/13/57/99/566135799.db2.gz NJDWBUYPPFGGGE-VWLOTQADSA-N 0 2 392.531 3.090 10 0 GGAELN CO[C@H](c1noc(C(C)(C)NC(=O)C(F)(F)F)n1)c1cccc(Cl)c1 ZINC000290028822 566153932 /nfs/dbraw/zinc/15/39/32/566153932.db2.gz HZJFPVHDDRJMKG-JTQLQIEISA-N 0 2 377.750 3.372 10 0 GGAELN CO[C@@H](C)c1nsc(NC2CCN(c3nc4ccccc4s3)CC2)n1 ZINC000367165058 566188172 /nfs/dbraw/zinc/18/81/72/566188172.db2.gz LNXBWGWBMSXFSV-NSHDSACASA-N 0 2 375.523 3.358 10 0 GGAELN Cc1nnc2n1C[C@H](C(=O)[O-])[N@@H+](CCCCc1ccc(Cl)c(Cl)c1)C2 ZINC000263523597 566188546 /nfs/dbraw/zinc/18/85/46/566188546.db2.gz SFJKNNXNLHCJDL-OAHLLOKOSA-N 0 2 383.279 3.185 10 0 GGAELN Cc1nnc2n1C[C@H](C(=O)[O-])[N@H+](CCCCc1ccc(Cl)c(Cl)c1)C2 ZINC000263523597 566188553 /nfs/dbraw/zinc/18/85/53/566188553.db2.gz SFJKNNXNLHCJDL-OAHLLOKOSA-N 0 2 383.279 3.185 10 0 GGAELN C[C@H]1C[C@H](NC(=O)c2cc(F)c(O)c(Cl)c2)c2ccsc2S1(=O)=O ZINC000291321570 566214797 /nfs/dbraw/zinc/21/47/97/566214797.db2.gz RLPVTNWGJCMKFT-MADCSZMMSA-N 0 2 389.857 3.283 10 0 GGAELN O=S(=O)(Nc1ccc(C(F)(F)F)cn1)c1cc2c(cc1Cl)OCCO2 ZINC000182755513 566223413 /nfs/dbraw/zinc/22/34/13/566223413.db2.gz KWCUSVWQEGRFTH-UHFFFAOYSA-N 0 2 394.758 3.326 10 0 GGAELN CCCc1cc(NS(=O)(=O)c2cc(F)c(Br)cc2OC)[nH]n1 ZINC000182914175 566229607 /nfs/dbraw/zinc/22/96/07/566229607.db2.gz INFOXLWNGWTSKC-UHFFFAOYSA-N 0 2 392.250 3.073 10 0 GGAELN O=S(=O)(Nc1cccc2c1OCC[C@H]2O)c1ccccc1Br ZINC000368654397 566243909 /nfs/dbraw/zinc/24/39/09/566243909.db2.gz XVMIMRYYIVAWEG-CYBMUJFWSA-N 0 2 384.251 3.066 10 0 GGAELN CCn1nccc1S(=O)(=O)Nc1nnc(-c2ccc(Cl)cc2F)s1 ZINC000481864488 566257885 /nfs/dbraw/zinc/25/78/85/566257885.db2.gz ZDTJYEJASQBATQ-UHFFFAOYSA-N 0 2 387.849 3.015 10 0 GGAELN COc1cccc(Cc2nnc(NS(=O)(=O)c3ccc(Cl)cc3)o2)c1 ZINC000481879785 566259102 /nfs/dbraw/zinc/25/91/02/566259102.db2.gz AZNFVYMCFVNDEV-UHFFFAOYSA-N 0 2 379.825 3.123 10 0 GGAELN Cc1ccc2c(n1)[nH]cc(C(=O)N[C@H](C)c1ccc(Br)cn1)c2=O ZINC000481935406 566266633 /nfs/dbraw/zinc/26/66/33/566266633.db2.gz NSTZGNSTZFPVAO-SNVBAGLBSA-N 0 2 387.237 3.292 10 0 GGAELN Cc1ccsc1-c1nsc(NS(=O)(=O)c2cnc3ccccc3c2)n1 ZINC000509219506 566279406 /nfs/dbraw/zinc/27/94/06/566279406.db2.gz MDXPIKAHWFWSQM-UHFFFAOYSA-N 0 2 388.499 3.346 10 0 GGAELN O=S(=O)(Nc1ccc(-c2ccc(Cl)s2)nc1)c1cnc2n1CCC2 ZINC000509235774 566280561 /nfs/dbraw/zinc/28/05/61/566280561.db2.gz QOKMGLHZSMKZKG-UHFFFAOYSA-N 0 2 380.882 3.407 10 0 GGAELN CCc1n[nH]c(NS(=O)(=O)c2c(Cl)cccc2Br)c1C ZINC000509258305 566283014 /nfs/dbraw/zinc/28/30/14/566283014.db2.gz YESSJSOQRYTKJZ-UHFFFAOYSA-N 0 2 378.679 3.497 10 0 GGAELN Cc1ccsc1-c1nc(=NC(=O)N2CCC[C@@H]([C@@H]3CCOC3)C2)s[nH]1 ZINC000575849659 566292019 /nfs/dbraw/zinc/29/20/19/566292019.db2.gz OKRCDWOTKPRJRX-CHWSQXEVSA-N 0 2 378.523 3.277 10 0 GGAELN Cc1cnc(N)c(S(=O)(=O)Nc2ccc(Br)c3cccnc23)c1 ZINC000509379425 566296147 /nfs/dbraw/zinc/29/61/47/566296147.db2.gz QWXFRBMSUQKMHV-UHFFFAOYSA-N 0 2 393.266 3.084 10 0 GGAELN CO[C@H](CS(=O)(=O)Nc1nc(C)c(Cc2ccccc2F)s1)C1CC1 ZINC000575922934 566297467 /nfs/dbraw/zinc/29/74/67/566297467.db2.gz PBECDRDZYQHRMZ-OAHLLOKOSA-N 0 2 384.498 3.348 10 0 GGAELN COC(=O)c1ccc(S(=O)(=O)Nc2ccc(C(C)=O)c(C)c2)c(Cl)c1 ZINC000535347983 566297977 /nfs/dbraw/zinc/29/79/77/566297977.db2.gz ZVAAOCLTSSCAQV-UHFFFAOYSA-N 0 2 381.837 3.438 10 0 GGAELN Cc1ccc(Cc2ccccn2)cc1NS(=O)(=O)c1c(Cl)cnn1C ZINC000509398108 566300423 /nfs/dbraw/zinc/30/04/23/566300423.db2.gz ZYPNTABNWMRTLE-UHFFFAOYSA-N 0 2 376.869 3.169 10 0 GGAELN CCc1ccc2nc(NS(=O)(=O)c3cccc(C(=O)OC)c3)sc2c1 ZINC000556570733 566314489 /nfs/dbraw/zinc/31/44/89/566314489.db2.gz JQLDNANKSCBTGA-UHFFFAOYSA-N 0 2 376.459 3.446 10 0 GGAELN CCc1ccc2nc(NS(=O)(=O)c3ccc(C(=O)OC)cc3)sc2c1 ZINC000535654428 566316855 /nfs/dbraw/zinc/31/68/55/566316855.db2.gz GJGQLMUTPQRJJG-UHFFFAOYSA-N 0 2 376.459 3.446 10 0 GGAELN COC(=O)c1ccc(S(=O)(=O)Nc2ccc(OC(C)C)nc2)c(Cl)c1 ZINC000509582940 566318138 /nfs/dbraw/zinc/31/81/38/566318138.db2.gz IWWXBWOIFPIEAZ-UHFFFAOYSA-N 0 2 384.841 3.110 10 0 GGAELN Cc1c2cc(Br)cc(C)c2oc1C(=O)N=c1nc2n([nH]1)CCCC2 ZINC000556699541 566323256 /nfs/dbraw/zinc/32/32/56/566323256.db2.gz IQAXCLXTSCDVJD-UHFFFAOYSA-N 0 2 389.253 3.414 10 0 GGAELN CO[C@H](C)c1nsc(NCCCc2nnc(SC)n2C2CCCC2)n1 ZINC000509708919 566331462 /nfs/dbraw/zinc/33/14/62/566331462.db2.gz AHUAMDQSMABGNB-LLVKDONJSA-N 0 2 382.559 3.141 10 0 GGAELN COc1c(C)cc(C)cc1S(=O)(=O)Nc1nc(C2CCOCC2)cs1 ZINC000556803070 566332113 /nfs/dbraw/zinc/33/21/13/566332113.db2.gz QMMZCFBCODYQTL-UHFFFAOYSA-N 0 2 382.507 3.463 10 0 GGAELN Cc1ccsc1-c1nc(=NC(=O)N2CC[C@@H](n3cc(Cl)cn3)C2)s[nH]1 ZINC000576316783 566335404 /nfs/dbraw/zinc/33/54/04/566335404.db2.gz APXSNQFBXCQTQI-LLVKDONJSA-N 0 2 394.913 3.326 10 0 GGAELN CCO[C@@H](CS(=O)(=O)Nc1cccc2cc(C(=O)OC)sc21)C1CC1 ZINC000600653725 566356152 /nfs/dbraw/zinc/35/61/52/566356152.db2.gz NBGPWRKCKSBDCN-AWEZNQCLSA-N 0 2 383.491 3.245 10 0 GGAELN COC(=O)[C@@H](C)Oc1ccc(NS(=O)(=O)c2sc(C)cc2C)cc1F ZINC000600663038 566356389 /nfs/dbraw/zinc/35/63/89/566356389.db2.gz TYQOJEDAQLLMFP-LLVKDONJSA-N 0 2 387.454 3.245 10 0 GGAELN COC(=O)c1cc(C)sc1NS(=O)(=O)C[C@H](OC)c1ccc(F)cc1 ZINC000600668372 566357235 /nfs/dbraw/zinc/35/72/35/566357235.db2.gz LTGWHLFYOOXARA-AWEZNQCLSA-N 0 2 387.454 3.112 10 0 GGAELN CN(C(=O)c1cc(Br)c(F)cc1O)[C@H]1CCCc2c1cnn2C ZINC000649265821 566360023 /nfs/dbraw/zinc/36/00/23/566360023.db2.gz BLXVDQQRACERAI-ZDUSSCGKSA-N 0 2 382.233 3.177 10 0 GGAELN Cc1ccc(-c2nnc(NS(=O)(=O)c3cnccc3C(F)(F)F)o2)s1 ZINC000446771179 566366129 /nfs/dbraw/zinc/36/61/29/566366129.db2.gz VHRASFQLRADYNA-UHFFFAOYSA-N 0 2 390.368 3.321 10 0 GGAELN CC(C)Oc1ccc(NS(=O)(=O)c2cc3c(c(Cl)c2)O[C@@H](C)C3)nn1 ZINC000446950641 566373792 /nfs/dbraw/zinc/37/37/92/566373792.db2.gz AQYFYWSSVSMNIN-JTQLQIEISA-N 0 2 383.857 3.041 10 0 GGAELN CCCCc1nnc(NS(=O)(=O)c2ccc(OC)c3cccnc32)s1 ZINC000649584631 566375615 /nfs/dbraw/zinc/37/56/15/566375615.db2.gz CHVPWFNZRYFKRM-UHFFFAOYSA-N 0 2 378.479 3.238 10 0 GGAELN COc1cc(C(F)(F)F)cc(S(=O)(=O)Nc2ccnn2C(C)(C)C)c1 ZINC000649603126 566376514 /nfs/dbraw/zinc/37/65/14/566376514.db2.gz BOGBFPRONWEQMK-UHFFFAOYSA-N 0 2 377.388 3.466 10 0 GGAELN CCc1ccc(NS(=O)(=O)c2ccc([C@H](C)NC(C)=O)s2)cc1OC ZINC000649684571 566386113 /nfs/dbraw/zinc/38/61/13/566386113.db2.gz ABFJDOINZSEVMR-NSHDSACASA-N 0 2 382.507 3.317 10 0 GGAELN O=C(N=c1nc(-c2ccsc2)[nH]s1)[C@H](C[C@H]1CCCO1)C(F)(F)F ZINC000649709971 566386916 /nfs/dbraw/zinc/38/69/16/566386916.db2.gz HSXGBZQRLGHSNL-ZJUUUORDSA-N 0 2 377.413 3.375 10 0 GGAELN COC(=O)[C@@H]1O[C@@H](C(=O)Nc2c(O)c(Cl)cc(Cl)c2Cl)C[C@H]1C ZINC000601401389 566405093 /nfs/dbraw/zinc/40/50/93/566405093.db2.gz OKVWTNXXPOIGLW-XIGBOZDYSA-N 0 2 382.627 3.258 10 0 GGAELN Cc1[nH+]ccc(NC([O-])=C(C[C@@H]2CCCO2)C(F)(F)F)c1Br ZINC000649949055 566408185 /nfs/dbraw/zinc/40/81/85/566408185.db2.gz NGOGUNXFVHWTCJ-VHSXEESVSA-N 0 2 381.192 3.261 10 0 GGAELN Cc1c(Cl)c(C[NH2+][C@H](CC(=O)[O-])c2cccc(Br)c2)nn1C ZINC000421817636 566409544 /nfs/dbraw/zinc/40/95/44/566409544.db2.gz WBPRRBVQIDAJKF-GFCCVEGCSA-N 0 2 386.677 3.450 10 0 GGAELN Cc1c(Cl)c(C[NH2+][C@@H](CC(=O)[O-])c2cccc(Br)c2)nn1C ZINC000421817637 566409619 /nfs/dbraw/zinc/40/96/19/566409619.db2.gz WBPRRBVQIDAJKF-LBPRGKRZSA-N 0 2 386.677 3.450 10 0 GGAELN COc1cc(Br)ccc1[C@@H]1CCCN1C(=O)N=c1cccn[nH]1 ZINC000626434245 566410219 /nfs/dbraw/zinc/41/02/19/566410219.db2.gz VDAJAEHBPINXFI-ZDUSSCGKSA-N 0 2 377.242 3.039 10 0 GGAELN Cc1cc(S(=O)(=O)Nc2ccc(-c3nc(C)cc(=O)[nH]3)cc2)sc1C ZINC000536902213 566411073 /nfs/dbraw/zinc/41/10/73/566411073.db2.gz SNBIPVVOXZLJLG-UHFFFAOYSA-N 0 2 375.475 3.224 10 0 GGAELN CCOC(=O)c1nc(NS(=O)(=O)c2cc(C)c(F)cc2Cl)oc1C ZINC000484004469 566412224 /nfs/dbraw/zinc/41/22/24/566412224.db2.gz AMHYPHXJSQJUIM-UHFFFAOYSA-N 0 2 376.793 3.061 10 0 GGAELN COc1cc(NS(=O)(=O)c2c(F)cccc2Cl)cc(OC)c1OC ZINC000463521200 566415490 /nfs/dbraw/zinc/41/54/90/566415490.db2.gz UKSUZDCPJDDSOA-UHFFFAOYSA-N 0 2 375.805 3.306 10 0 GGAELN Cc1ccsc1-c1nc(=NC(=O)N2CCO[C@@H](C(F)(F)F)[C@H]2C)s[nH]1 ZINC000626506585 566417492 /nfs/dbraw/zinc/41/74/92/566417492.db2.gz PSHSOQDDTOSCKW-PSASIEDQSA-N 0 2 392.428 3.180 10 0 GGAELN CC(=O)NCCc1ccc(S(=O)(=O)Nc2csc3ccccc23)s1 ZINC000484138533 566417669 /nfs/dbraw/zinc/41/76/69/566417669.db2.gz RZYODZBSZAVLHF-UHFFFAOYSA-N 0 2 380.516 3.442 10 0 GGAELN CCS(=O)(=O)c1ccc(S(=O)(=O)Nc2csc3ccccc23)cc1 ZINC000484142710 566417734 /nfs/dbraw/zinc/41/77/34/566417734.db2.gz NKBZFFFADQHKAC-UHFFFAOYSA-N 0 2 381.500 3.496 10 0 GGAELN Cc1nc(=NC(=O)N2CCC[C@H]2c2ccc(Br)cc2Cl)[nH]n1C ZINC000626571908 566425089 /nfs/dbraw/zinc/42/50/89/566425089.db2.gz KTJSACYAXKHMNO-ZDUSSCGKSA-N 0 2 398.692 3.330 10 0 GGAELN O=C(N=c1nc2n([nH]1)CCCC2)NCC/C=C/c1ccc(Br)cc1 ZINC000626583001 566426850 /nfs/dbraw/zinc/42/68/50/566426850.db2.gz DHKJFMLGZQAUIO-ORCRQEGFSA-N 0 2 390.285 3.024 10 0 GGAELN COCCOc1ccc(Br)cc1S(=O)(=O)Nc1ccsc1 ZINC000484492029 566432404 /nfs/dbraw/zinc/43/24/04/566432404.db2.gz TXELLBYSQGZFSJ-UHFFFAOYSA-N 0 2 392.296 3.337 10 0 GGAELN C[C@@H]1CO[C@H](C(F)(F)F)CN1C(=O)c1cc(Br)c(F)cc1O ZINC000650221072 566438670 /nfs/dbraw/zinc/43/86/70/566438670.db2.gz FAMBIXXYOZRIPK-KBUNVGBDSA-N 0 2 386.139 3.086 10 0 GGAELN COC(=O)c1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccccc1F ZINC000511119383 566438897 /nfs/dbraw/zinc/43/88/97/566438897.db2.gz GXQNKOQEROSFDJ-UHFFFAOYSA-N 0 2 377.315 3.432 10 0 GGAELN CC(C)COCCC(=O)N=c1ccc(-c2ccc(Br)s2)n[nH]1 ZINC000484585323 566438916 /nfs/dbraw/zinc/43/89/16/566438916.db2.gz PLLBCACEJIIMDN-UHFFFAOYSA-N 0 2 384.299 3.391 10 0 GGAELN O=C(N=c1nc(-c2ccsc2)[nH]s1)NCCCNc1ccccc1F ZINC000447997063 566452160 /nfs/dbraw/zinc/45/21/60/566452160.db2.gz BMXGUZVZJVEDBV-UHFFFAOYSA-N 0 2 377.470 3.451 10 0 GGAELN CCc1ccc([C@@H](COC)NC(=O)N=c2nc(-c3ccsc3)[nH]s2)o1 ZINC000447986810 566452422 /nfs/dbraw/zinc/45/24/22/566452422.db2.gz DDPVGPJZKAYIDI-GFCCVEGCSA-N 0 2 378.479 3.353 10 0 GGAELN CCO[C@@H]1C[C@H](N(C)C(=O)N=c2nc(-c3ccsc3)[nH]s2)C12CCC2 ZINC000447997700 566452600 /nfs/dbraw/zinc/45/26/00/566452600.db2.gz CZGRQRVYXAJSCT-QWHCGFSZSA-N 0 2 378.523 3.500 10 0 GGAELN C[C@H](CNC(=O)N=c1nc(-c2ccsc2)[nH]s1)Oc1ccc(F)cc1 ZINC000447995110 566452607 /nfs/dbraw/zinc/45/26/07/566452607.db2.gz XHTBYQPSHOAACF-SNVBAGLBSA-N 0 2 378.454 3.417 10 0 GGAELN O=C(N=c1nc(-c2ccsc2)[nH]s1)N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000448009464 566453347 /nfs/dbraw/zinc/45/33/47/566453347.db2.gz JSDWAFMMQQNVGB-YNEHKIRRSA-N 0 2 376.507 3.158 10 0 GGAELN C[C@H](CNC(=O)N=c1nc(-c2ccsc2)[nH]s1)Oc1cccc(F)c1 ZINC000448012305 566455695 /nfs/dbraw/zinc/45/56/95/566455695.db2.gz SPTDBBGFHSCYPC-SNVBAGLBSA-N 0 2 378.454 3.417 10 0 GGAELN CC(C)n1cnc(NS(=O)(=O)c2cccc(Br)c2Cl)n1 ZINC000650487168 566458807 /nfs/dbraw/zinc/45/88/07/566458807.db2.gz DICVYUSQXVTCPX-UHFFFAOYSA-N 0 2 379.667 3.076 10 0 GGAELN CC(C)n1cnc(NS(=O)(=O)c2c(Cl)cccc2Br)n1 ZINC000650487015 566459220 /nfs/dbraw/zinc/45/92/20/566459220.db2.gz AIPQZXAYEHRDAD-UHFFFAOYSA-N 0 2 379.667 3.076 10 0 GGAELN CC(C)n1cnc(NS(=O)(=O)c2cc(Cl)ccc2OC(F)(F)F)n1 ZINC000650485856 566459668 /nfs/dbraw/zinc/45/96/68/566459668.db2.gz CBPNOYBARIQBFB-UHFFFAOYSA-N 0 2 384.767 3.212 10 0 GGAELN CCc1ccncc1NS(=O)(=O)c1cc(Br)cc2c1OCC2 ZINC000650492335 566460480 /nfs/dbraw/zinc/46/04/80/566460480.db2.gz HEXHUTOCTOMRBG-UHFFFAOYSA-N 0 2 383.267 3.142 10 0 GGAELN CC(C)n1cnc(NS(=O)(=O)c2ccc(Cl)cc2Br)n1 ZINC000650487284 566460532 /nfs/dbraw/zinc/46/05/32/566460532.db2.gz GNWBLMTZCHFPPM-UHFFFAOYSA-N 0 2 379.667 3.076 10 0 GGAELN Cc1cc(NC(=O)c2cccc(Br)c2O)n(C2CCOCC2)n1 ZINC000537662514 566461185 /nfs/dbraw/zinc/46/11/85/566461185.db2.gz BLUGTKQVTKKNEF-UHFFFAOYSA-N 0 2 380.242 3.263 10 0 GGAELN CCc1ccncc1NS(=O)(=O)c1cc(N(C)C)ccc1Br ZINC000650492637 566461662 /nfs/dbraw/zinc/46/16/62/566461662.db2.gz SVZNNHHSMDWUHB-UHFFFAOYSA-N 0 2 384.299 3.273 10 0 GGAELN COC(=O)CC1(NC(=O)N=c2nc(-c3ccsc3)[nH]s2)CCCCC1 ZINC000577821692 566467790 /nfs/dbraw/zinc/46/77/90/566467790.db2.gz UEVNCWJQNWEKJG-UHFFFAOYSA-N 0 2 380.495 3.076 10 0 GGAELN FC(F)(F)c1cc(Br)ccc1C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000423020662 566468949 /nfs/dbraw/zinc/46/89/49/566468949.db2.gz CMWHWLLVDVIQRX-LSDHHAIUSA-N 0 2 393.247 3.325 10 0 GGAELN CC1(CC(=O)Nc2nnc(NS(=O)(=O)c3ccccc3)s2)CCCC1 ZINC000558401258 566469379 /nfs/dbraw/zinc/46/93/79/566469379.db2.gz ISYGRVOPMNWWOT-UHFFFAOYSA-N 0 2 380.495 3.248 10 0 GGAELN Cc1ccsc1-c1nc(=NC(=O)N2CCC[C@H]2c2nc(C)no2)s[nH]1 ZINC000558415004 566470608 /nfs/dbraw/zinc/47/06/08/566470608.db2.gz UHSYOODWBPAPPS-JTQLQIEISA-N 0 2 376.467 3.057 10 0 GGAELN COc1ccc(NS(=O)(=O)c2cc(F)ccc2Cl)c(OC)c1OC ZINC000485099351 566475383 /nfs/dbraw/zinc/47/53/83/566475383.db2.gz BOXLKPAPDAGKJN-UHFFFAOYSA-N 0 2 375.805 3.306 10 0 GGAELN CCCc1nnc(NS(=O)(=O)c2cccc(Br)c2Cl)o1 ZINC000558596240 566490360 /nfs/dbraw/zinc/49/03/60/566490360.db2.gz MBIWRMGAYVVSDC-UHFFFAOYSA-N 0 2 380.651 3.239 10 0 GGAELN Cc1cc(S(=O)(=O)Nc2ccc(OC(C)C)nn2)ccc1C(F)(F)F ZINC000558599812 566491449 /nfs/dbraw/zinc/49/14/49/566491449.db2.gz SOPYZZXCMZKGBM-UHFFFAOYSA-N 0 2 375.372 3.392 10 0 GGAELN O=C(N[C@@H]1CCCC1(F)F)c1cccc(NS(=O)(=O)c2cccs2)c1 ZINC000672495094 566493448 /nfs/dbraw/zinc/49/34/48/566493448.db2.gz WXNIBNMZSWFYCK-CYBMUJFWSA-N 0 2 386.445 3.467 10 0 GGAELN Cn1ncc(Cl)c1S(=O)(=O)Nc1ccc(-c2cn3ccsc3n2)cc1 ZINC000485395866 566493944 /nfs/dbraw/zinc/49/39/44/566493944.db2.gz HUXQVPIMROYEMN-UHFFFAOYSA-N 0 2 393.881 3.251 10 0 GGAELN Cc1ccc(NC(=O)C(C)(C)C)cc1NS(=O)(=O)c1c(Cl)cnn1C ZINC000485387566 566494186 /nfs/dbraw/zinc/49/41/86/566494186.db2.gz LUKAJEJIGDEMKE-UHFFFAOYSA-N 0 2 384.889 3.167 10 0 GGAELN Cn1ncc(Cl)c1S(=O)(=O)Nc1cccc(COCc2ccco2)c1 ZINC000485420803 566497671 /nfs/dbraw/zinc/49/76/71/566497671.db2.gz XLZBBJBMUBFJKX-UHFFFAOYSA-N 0 2 381.841 3.184 10 0 GGAELN COCn1nc(C)c(S(=O)(=O)Nc2cc(Cl)ccc2OC(F)F)c1C ZINC000424059099 566506158 /nfs/dbraw/zinc/50/61/58/566506158.db2.gz ALNQQCDZCYPQOQ-UHFFFAOYSA-N 0 2 395.815 3.159 10 0 GGAELN COCn1nc(C)c(S(=O)(=O)Nc2ccc(-c3nccs3)cc2)c1C ZINC000424067628 566507611 /nfs/dbraw/zinc/50/76/11/566507611.db2.gz PZSWLSNGBGCKQT-UHFFFAOYSA-N 0 2 378.479 3.028 10 0 GGAELN COC(=O)c1cc(S(=O)(=O)Nc2ccc3c(Cl)ccc(C)c3n2)c[nH]1 ZINC000538364430 566510474 /nfs/dbraw/zinc/51/04/74/566510474.db2.gz NLOKHHFGBVEZNL-UHFFFAOYSA-N 0 2 379.825 3.112 10 0 GGAELN CC(C)C[C@H](NC(=O)C(C)(C)C)C(=O)N=c1nc(-c2ccsc2)[nH]s1 ZINC000448947386 566513736 /nfs/dbraw/zinc/51/37/36/566513736.db2.gz WVSRVSXSGZLCBT-LBPRGKRZSA-N 0 2 380.539 3.204 10 0 GGAELN CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1nc2c(s1)C[N@@H+](C(C)(C)C)CC2 ZINC000424219212 566521376 /nfs/dbraw/zinc/52/13/76/566521376.db2.gz CMBGRBIUOVMTPU-CYBMUJFWSA-N 0 2 389.587 3.103 10 0 GGAELN CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1nc2c(s1)C[N@H+](C(C)(C)C)CC2 ZINC000424219212 566521386 /nfs/dbraw/zinc/52/13/86/566521386.db2.gz CMBGRBIUOVMTPU-CYBMUJFWSA-N 0 2 389.587 3.103 10 0 GGAELN C[C@H]1CCC[N@H+](CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)[C@@H]1C(=O)[O-] ZINC000424260385 566523828 /nfs/dbraw/zinc/52/38/28/566523828.db2.gz DKRAFEVUTJZTQD-XPTSAGLGSA-N 0 2 378.778 3.482 10 0 GGAELN C[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)[C@@H]1C(=O)[O-] ZINC000424260385 566523832 /nfs/dbraw/zinc/52/38/32/566523832.db2.gz DKRAFEVUTJZTQD-XPTSAGLGSA-N 0 2 378.778 3.482 10 0 GGAELN C[C@H]1CCC[N@H+](CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)[C@@H]1C(=O)[O-] ZINC000424263081 566523859 /nfs/dbraw/zinc/52/38/59/566523859.db2.gz GWWPYANNQRYLKF-XPTSAGLGSA-N 0 2 376.787 3.065 10 0 GGAELN C[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)[C@@H]1C(=O)[O-] ZINC000424263081 566523862 /nfs/dbraw/zinc/52/38/62/566523862.db2.gz GWWPYANNQRYLKF-XPTSAGLGSA-N 0 2 376.787 3.065 10 0 GGAELN C[C@@H]1CCC[N@H+](Cc2nc(Cc3cccc(Br)c3)no2)[C@@H]1C(=O)[O-] ZINC000424277093 566524864 /nfs/dbraw/zinc/52/48/64/566524864.db2.gz ZWNLBACTYPEALZ-BZNIZROVSA-N 0 2 394.269 3.108 10 0 GGAELN C[C@@H]1CCC[N@@H+](Cc2nc(Cc3cccc(Br)c3)no2)[C@@H]1C(=O)[O-] ZINC000424277093 566524873 /nfs/dbraw/zinc/52/48/73/566524873.db2.gz ZWNLBACTYPEALZ-BZNIZROVSA-N 0 2 394.269 3.108 10 0 GGAELN C[C@H]1CCC[N@H+](Cc2nc(Cc3cccc(Br)c3)no2)[C@@H]1C(=O)[O-] ZINC000424277095 566524982 /nfs/dbraw/zinc/52/49/82/566524982.db2.gz ZWNLBACTYPEALZ-ZBEGNZNMSA-N 0 2 394.269 3.108 10 0 GGAELN C[C@H]1CCC[N@@H+](Cc2nc(Cc3cccc(Br)c3)no2)[C@@H]1C(=O)[O-] ZINC000424277095 566524988 /nfs/dbraw/zinc/52/49/88/566524988.db2.gz ZWNLBACTYPEALZ-ZBEGNZNMSA-N 0 2 394.269 3.108 10 0 GGAELN O=C(c1csc(-c2ccc(Cl)s2)n1)N1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000559287456 566539308 /nfs/dbraw/zinc/53/93/08/566539308.db2.gz UELOJYCEVFWPJG-QMMMGPOBSA-N 0 2 395.897 3.369 10 0 GGAELN CC(C)(C)OCC(=O)NC(C)(C)C(=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000651620683 566544288 /nfs/dbraw/zinc/54/42/88/566544288.db2.gz NWLZTZFPIBYQMY-UHFFFAOYSA-N 0 2 377.268 3.347 10 0 GGAELN COc1cccc(S(O)=CC(=O)N2CC[C@H](c3ccc(Cl)cc3)C2)c1 ZINC000424665153 566555619 /nfs/dbraw/zinc/55/56/19/566555619.db2.gz NDCSCHRSQRLFBF-MQNRADLISA-N 0 2 377.893 3.472 10 0 GGAELN COC(=O)c1cc(Cl)ccc1S(=O)(=O)Nc1cccc2c1OCCC2 ZINC000512771935 566556004 /nfs/dbraw/zinc/55/60/04/566556004.db2.gz RONVZMRGJYZKPJ-UHFFFAOYSA-N 0 2 381.837 3.252 10 0 GGAELN Oc1c(Br)cc(CN2CCO[C@H](CCF)C2)cc1Br ZINC000628458966 566557202 /nfs/dbraw/zinc/55/72/02/566557202.db2.gz IMZRKNKCHWGQLA-SNVBAGLBSA-N 0 2 397.082 3.478 10 0 GGAELN O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)[C@@H]1CCC[C@H](F)C1 ZINC000424698009 566559871 /nfs/dbraw/zinc/55/98/71/566559871.db2.gz DVTZLESESNRDBP-NEPJUHHUSA-N 0 2 383.470 3.411 10 0 GGAELN O=C(N=c1nc(-c2ccsc2)[nH]s1)N1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000579061209 566576870 /nfs/dbraw/zinc/57/68/70/566576870.db2.gz YTHOUQMPNFXBTL-QWHCGFSZSA-N 0 2 376.507 3.254 10 0 GGAELN O=C(N=c1nc(-c2ccsc2)[nH]s1)N1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000579061203 566577178 /nfs/dbraw/zinc/57/71/78/566577178.db2.gz YTHOUQMPNFXBTL-CHWSQXEVSA-N 0 2 376.507 3.254 10 0 GGAELN O=C(N=c1nc(-c2ccsc2)[nH]s1)N1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000579061211 566577191 /nfs/dbraw/zinc/57/71/91/566577191.db2.gz YTHOUQMPNFXBTL-STQMWFEESA-N 0 2 376.507 3.254 10 0 GGAELN O=S(=O)(Cc1ccc(F)c(Br)c1)c1n[nH]c(-c2ccccc2)n1 ZINC000559985169 566581995 /nfs/dbraw/zinc/58/19/95/566581995.db2.gz TYWZZTMDTRAVCB-UHFFFAOYSA-N 0 2 396.241 3.347 10 0 GGAELN O=C(N=c1nc(-c2ccsc2)[nH]s1)N1CCN(Cc2ccsc2)CC1 ZINC000560041043 566590621 /nfs/dbraw/zinc/59/06/21/566590621.db2.gz HWDOXVFSAASFHN-UHFFFAOYSA-N 0 2 391.547 3.100 10 0 GGAELN CCC(F)(F)CNC(=O)Cc1ccc(NS(=O)(=O)c2cccs2)cc1 ZINC000628845220 566592595 /nfs/dbraw/zinc/59/25/95/566592595.db2.gz BQPKMFUKHJIKEN-UHFFFAOYSA-N 0 2 388.461 3.253 10 0 GGAELN COCCc1cc(NS(=O)(=O)c2c(Cl)ccc(C)c2Cl)n(C)n1 ZINC000486555716 566597834 /nfs/dbraw/zinc/59/78/34/566597834.db2.gz BCWOUPQKZNOFRW-UHFFFAOYSA-N 0 2 378.281 3.025 10 0 GGAELN Cc1ccsc1-c1nc(=NC(=O)c2ncsc2Br)s[nH]1 ZINC000579338298 566600700 /nfs/dbraw/zinc/60/07/00/566600700.db2.gz RRAIIRZFORFIAT-UHFFFAOYSA-N 0 2 387.309 3.468 10 0 GGAELN COc1cncc(C=CCCSc2nnc(NC[C@@H]3CCCO3)s2)c1 ZINC000579351915 566601267 /nfs/dbraw/zinc/60/12/67/566601267.db2.gz IQOKEDRQMWXQKF-IWZWCOEHSA-N 0 2 378.523 3.150 10 0 GGAELN Cc1cc(S(=O)(=O)Nc2cccnc2-c2cnn(C)c2)c(Cl)cc1F ZINC000466844700 566602367 /nfs/dbraw/zinc/60/23/67/566602367.db2.gz IYXYNQYCFFCIKU-UHFFFAOYSA-N 0 2 380.832 3.384 10 0 GGAELN CN1C(=O)C[C@H](C(=O)Nc2cc(Cl)cc(Cl)c2O)[C@H]1c1cccnc1 ZINC000579535225 566617330 /nfs/dbraw/zinc/61/73/30/566617330.db2.gz DRDUNPDIWNEWKU-XHDPSFHLSA-N 0 2 380.231 3.252 10 0 GGAELN Cc1cc(C)nc(NS(=O)(=O)c2cc(Br)cc3cccnc32)n1 ZINC000579638428 566626322 /nfs/dbraw/zinc/62/63/22/566626322.db2.gz TZKRPAFTTMPDKH-UHFFFAOYSA-N 0 2 393.266 3.205 10 0 GGAELN CC[S@](=O)[C@H]1CCC[C@@H](NC(=O)c2cc(Br)c(F)cc2O)C1 ZINC000450068980 566630494 /nfs/dbraw/zinc/63/04/94/566630494.db2.gz URBNDKVUBUNALO-BNMUBRSASA-N 0 2 392.290 3.103 10 0 GGAELN Cc1ccsc1-c1nc(=NC(=O)N2CCC(c3ccon3)CC2)s[nH]1 ZINC000606444755 566631112 /nfs/dbraw/zinc/63/11/12/566631112.db2.gz LFGDHUAENMWEAS-UHFFFAOYSA-N 0 2 375.479 3.396 10 0 GGAELN CCO[C@H](CS(=O)(=O)Nc1cc(F)ccc1OCC(F)(F)F)C1CC1 ZINC000629286529 566634725 /nfs/dbraw/zinc/63/47/25/566634725.db2.gz UABZAUSLWRNGAN-CQSZACIVSA-N 0 2 385.379 3.324 10 0 GGAELN CO[C@@H](Cc1ccc(F)cc1)CS(=O)(=O)Nc1cc(Cl)cc(C)c1O ZINC000629288419 566635204 /nfs/dbraw/zinc/63/52/04/566635204.db2.gz BEHGHOCTZNWDSW-HNNXBMFYSA-N 0 2 387.860 3.493 10 0 GGAELN CC(C)Oc1ccc(F)cc1NS(=O)(=O)c1cc(C(F)(F)F)nn1C ZINC000629287943 566635329 /nfs/dbraw/zinc/63/53/29/566635329.db2.gz DPOYXDGBAKIEAY-UHFFFAOYSA-N 0 2 381.351 3.166 10 0 GGAELN CC1(C)CN(C(=O)N=c2nc(-c3ccsc3)[nH]s2)C[C@@H](C(F)(F)F)O1 ZINC000652904161 566635596 /nfs/dbraw/zinc/63/55/96/566635596.db2.gz ZRSCCRSJVBDVFY-VIFPVBQESA-N 0 2 392.428 3.262 10 0 GGAELN CO[C@H](Cc1ccc(F)cc1)CS(=O)(=O)Nc1cc(Cl)cc(C)c1O ZINC000629288422 566635803 /nfs/dbraw/zinc/63/58/03/566635803.db2.gz BEHGHOCTZNWDSW-OAHLLOKOSA-N 0 2 387.860 3.493 10 0 GGAELN CO[C@@H](Cc1ccc(F)cc1)CS(=O)(=O)Nc1cc(F)cc(Cl)c1O ZINC000629293201 566637008 /nfs/dbraw/zinc/63/70/08/566637008.db2.gz GMWXJGFLOQRAEP-ZDUSSCGKSA-N 0 2 391.823 3.323 10 0 GGAELN Cc1cc(Br)c(F)cc1S(=O)(=O)Nc1cnn(C)c1C(F)F ZINC000629292651 566637416 /nfs/dbraw/zinc/63/74/16/566637416.db2.gz UJACDZSUUSDNDG-UHFFFAOYSA-N 0 2 398.204 3.369 10 0 GGAELN CCO[C@H](CS(=O)(=O)Nc1nn(-c2ccc(Cl)cc2)cc1C)C1CC1 ZINC000629298449 566639344 /nfs/dbraw/zinc/63/93/44/566639344.db2.gz AZTSRJRLEVUAPS-MRXNPFEDSA-N 0 2 383.901 3.391 10 0 GGAELN CSc1cc(Cl)c(C(F)(F)F)cc1NS(=O)(=O)c1cnnn1C ZINC000629304421 566640476 /nfs/dbraw/zinc/64/04/76/566640476.db2.gz SFLRTQXYNMZKBP-UHFFFAOYSA-N 0 2 386.808 3.010 10 0 GGAELN COc1cc(NS(=O)(=O)c2sc(C)cc2Br)cnc1OC ZINC000629315240 566640906 /nfs/dbraw/zinc/64/09/06/566640906.db2.gz MRFQFMUTZPEWJP-UHFFFAOYSA-N 0 2 393.284 3.032 10 0 GGAELN Cc1nc(NS(=O)(=O)c2cnc(C)n2C)sc1Cc1cccc(C)c1 ZINC000629348334 566647709 /nfs/dbraw/zinc/64/77/09/566647709.db2.gz HSDMVULBGHDLCF-UHFFFAOYSA-N 0 2 376.507 3.193 10 0 GGAELN CSc1ccc(NS(=O)(=O)c2cc3c(cc2Cl)N(C(C)=O)CC3)nc1 ZINC000629349672 566647927 /nfs/dbraw/zinc/64/79/27/566647927.db2.gz UZCSAHRZEFFVRJ-UHFFFAOYSA-N 0 2 397.909 3.167 10 0 GGAELN Cn1c(=O)n2c(c1C(=O)Nc1c(O)c(Cl)cc(Cl)c1Cl)CCCC2 ZINC000450243376 566648765 /nfs/dbraw/zinc/64/87/65/566648765.db2.gz RPJDADJMOVGHEN-UHFFFAOYSA-N 0 2 390.654 3.441 10 0 GGAELN CSc1cccnc1NS(=O)(=O)c1cc2c(cc1Cl)N(C(C)=O)CC2 ZINC000629352256 566649993 /nfs/dbraw/zinc/64/99/93/566649993.db2.gz PVLYTVMKGSCQEZ-UHFFFAOYSA-N 0 2 397.909 3.167 10 0 GGAELN CO[C@@H](CS(=O)(=O)Nc1n[nH]c2c1cc(C)cc2Br)C(C)C ZINC000629353152 566650033 /nfs/dbraw/zinc/65/00/33/566650033.db2.gz LLUNKSSUSMNXAM-LBPRGKRZSA-N 0 2 390.303 3.047 10 0 GGAELN CC[C@@H](C)n1nc(NS(=O)(=O)c2cc3c(cc2Cl)OCCO3)cc1C ZINC000540496201 566654702 /nfs/dbraw/zinc/65/47/02/566654702.db2.gz JTLINRAOTZJREE-SNVBAGLBSA-N 0 2 385.873 3.388 10 0 GGAELN Cn1c2ccc(Cl)cc2nc1NS(=O)(=O)c1ccc2c(c1)CCCO2 ZINC000560840291 566663020 /nfs/dbraw/zinc/66/30/20/566663020.db2.gz BOGCSXXFPRTWRI-UHFFFAOYSA-N 0 2 377.853 3.353 10 0 GGAELN Cc1ccc(-c2nnc(NS(=O)(=O)c3cn4c(n3)CCC[C@H]4C)o2)s1 ZINC000514720348 566665897 /nfs/dbraw/zinc/66/58/97/566665897.db2.gz BIEYYMDGEYLAKD-SECBINFHSA-N 0 2 379.467 3.001 10 0 GGAELN CCOC(=O)c1csc(N[C@@H]2CCOc3c(Br)cccc32)n1 ZINC000450496571 566678236 /nfs/dbraw/zinc/67/82/36/566678236.db2.gz BAASATKOWITHAK-LLVKDONJSA-N 0 2 383.267 3.440 10 0 GGAELN O=S(=O)(Nc1nnc(-c2ccco2)s1)c1ccc(C(F)(F)F)nc1 ZINC000541074925 566694771 /nfs/dbraw/zinc/69/47/71/566694771.db2.gz WXALMMUMQTTXEA-UHFFFAOYSA-N 0 2 376.341 3.013 10 0 GGAELN CCC1(CC)CN(C(=O)c2cc(Br)c(F)cc2O)CC[S@]1=O ZINC000450679708 566695607 /nfs/dbraw/zinc/69/56/07/566695607.db2.gz KOLPORDJBQJZBS-JOCHJYFZSA-N 0 2 392.290 3.057 10 0 GGAELN CO[C@H](CS(=O)(=O)Nc1ccc(Cl)cc1OCC(F)(F)F)C1CC1 ZINC000580564131 566704391 /nfs/dbraw/zinc/70/43/91/566704391.db2.gz MCCNXCUVUHCNOZ-CYBMUJFWSA-N 0 2 387.807 3.448 10 0 GGAELN CC(C)c1nnc(NS(=O)(=O)c2cc(Br)cc3cccnc32)o1 ZINC000515327386 566705786 /nfs/dbraw/zinc/70/57/86/566705786.db2.gz OUIJSOBYEPFFKO-UHFFFAOYSA-N 0 2 397.254 3.305 10 0 GGAELN Cc1sc(Br)cc1S(=O)(=O)Nc1cc(C(F)(F)F)[nH]n1 ZINC000676870307 566712792 /nfs/dbraw/zinc/71/27/92/566712792.db2.gz VOCQAGUSHSRFPT-UHFFFAOYSA-N 0 2 390.206 3.362 10 0 GGAELN COc1cc(OC)c(S(=O)(=O)Nc2ccc(F)c(Cl)c2)c(OC)c1 ZINC000488267360 566717544 /nfs/dbraw/zinc/71/75/44/566717544.db2.gz RRULIFKJITWYOZ-UHFFFAOYSA-N 0 2 375.805 3.306 10 0 GGAELN Cn1ncc(Cl)c1S(=O)(=O)Nc1cccc(Cl)c1OCC(F)F ZINC000580736889 566718136 /nfs/dbraw/zinc/71/81/36/566718136.db2.gz ZNEKSKSNSKHDTO-UHFFFAOYSA-N 0 2 386.207 3.172 10 0 GGAELN O=C(N[C@@H]1CCO[C@@H](c2ccccn2)C1)c1cc(Br)c(F)cc1O ZINC000654107562 566718322 /nfs/dbraw/zinc/71/83/22/566718322.db2.gz FIJSQOMOVVARTI-QLJPJBMISA-N 0 2 395.228 3.339 10 0 GGAELN O=S(=O)(Nc1cc([C@H]2CCCO2)[nH]n1)c1ccc(F)c(C(F)(F)F)c1 ZINC000580749591 566720076 /nfs/dbraw/zinc/72/00/76/566720076.db2.gz DAQWGPAPROUFOA-GFCCVEGCSA-N 0 2 379.335 3.220 10 0 GGAELN CC(=O)Nc1cccnc1NS(=O)(=O)c1c(C)cc(Br)cc1C ZINC000488393210 566723676 /nfs/dbraw/zinc/72/36/76/566723676.db2.gz GLVMTVHQNSJUQY-UHFFFAOYSA-N 0 2 398.282 3.220 10 0 GGAELN Cc1ccsc1-c1nc(=NC(=O)N2C[C@]3(CCCO3)[C@@H]2C2CC2)s[nH]1 ZINC000580816748 566726520 /nfs/dbraw/zinc/72/65/20/566726520.db2.gz LJAQUWGXSSUWAI-SUMWQHHRSA-N 0 2 376.507 3.172 10 0 GGAELN CCOC(=O)c1cc(CC)sc1NS(=O)(=O)c1ccc(F)c(OC)c1 ZINC000468774186 566728258 /nfs/dbraw/zinc/72/82/58/566728258.db2.gz BFCIEPRIERCVNA-UHFFFAOYSA-N 0 2 387.454 3.436 10 0 GGAELN COc1ccc(C[NH2+][C@H](C(=O)[O-])c2ccccc2OC)c(Br)c1O ZINC000426783420 566729494 /nfs/dbraw/zinc/72/94/94/566729494.db2.gz LBMBKTBTKUFAOZ-HNNXBMFYSA-N 0 2 396.237 3.087 10 0 GGAELN O=S(=O)(Nc1cc(-c2ccncc2)n[nH]1)c1ccc(F)c(Br)c1 ZINC000677234412 566732233 /nfs/dbraw/zinc/73/22/33/566732233.db2.gz WRPXFBFHNLSYIL-UHFFFAOYSA-N 0 2 397.229 3.174 10 0 GGAELN O=S(=O)(Nc1cc(-c2ccncc2)[nH]n1)c1ccc(F)c(Br)c1 ZINC000677234412 566732240 /nfs/dbraw/zinc/73/22/40/566732240.db2.gz WRPXFBFHNLSYIL-UHFFFAOYSA-N 0 2 397.229 3.174 10 0 GGAELN COc1cc(OC)c(S(=O)(=O)Nc2nc(C(C)(C)C)cs2)c(OC)c1 ZINC000488574582 566734526 /nfs/dbraw/zinc/73/45/26/566734526.db2.gz RJTFZSHHDKNJMB-UHFFFAOYSA-N 0 2 386.495 3.267 10 0 GGAELN O=C([O-])[C@H]([NH2+]Cc1csc(COc2ccc(Cl)cc2)n1)[C@@H]1CCCO1 ZINC000630470450 566735034 /nfs/dbraw/zinc/73/50/34/566735034.db2.gz VDLNHCJHHXSFRO-GOEBONIOSA-N 0 2 382.869 3.097 10 0 GGAELN C[C@H]([NH2+]Cc1cc(Br)cc2c1OCC2)c1nc(C(=O)[O-])cs1 ZINC000630464288 566735330 /nfs/dbraw/zinc/73/53/30/566735330.db2.gz JUWCCMNZCPWCSW-QMMMGPOBSA-N 0 2 383.267 3.390 10 0 GGAELN COCc1cnc(NS(=O)(=O)c2cc(OC)cc(C(F)(F)F)c2)s1 ZINC000451027493 566737425 /nfs/dbraw/zinc/73/74/25/566737425.db2.gz MWGIVPULOABVLR-UHFFFAOYSA-N 0 2 382.385 3.118 10 0 GGAELN COC(=O)C(C)(C)c1csc(NS(=O)(=O)c2c(F)cccc2Cl)n1 ZINC000451041764 566740327 /nfs/dbraw/zinc/74/03/27/566740327.db2.gz UJNMOSPGPPLMBA-UHFFFAOYSA-N 0 2 392.861 3.187 10 0 GGAELN CCCC(C)(C)CC(=O)Nc1ccc(S(=O)(=O)Nc2nncs2)cc1 ZINC000426983564 566740700 /nfs/dbraw/zinc/74/07/00/566740700.db2.gz OPYOEKIDNYENKT-UHFFFAOYSA-N 0 2 382.511 3.494 10 0 GGAELN O=C([O-])[C@@H]1CC[C@H](C(=O)NCc2ccc(Cl)s2)[N@@H+]1Cc1ccccc1 ZINC000630646776 566744437 /nfs/dbraw/zinc/74/44/37/566744437.db2.gz ZSSLSVLJLAEIMU-CABCVRRESA-N 0 2 378.881 3.136 10 0 GGAELN O=C([O-])[C@@H]1CC[C@H](C(=O)NCc2ccc(Cl)s2)[N@H+]1Cc1ccccc1 ZINC000630646776 566744444 /nfs/dbraw/zinc/74/44/44/566744444.db2.gz ZSSLSVLJLAEIMU-CABCVRRESA-N 0 2 378.881 3.136 10 0 GGAELN O=S(=O)(Nc1nc(CC(F)(F)F)cs1)c1cccnc1C(F)(F)F ZINC000451061168 566745438 /nfs/dbraw/zinc/74/54/38/566745438.db2.gz XNTTWZOKSDODEF-UHFFFAOYSA-N 0 2 391.318 3.463 10 0 GGAELN Cn1ncc(NS(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)c1C(F)F ZINC000677551557 566751909 /nfs/dbraw/zinc/75/19/09/566751909.db2.gz BDQZVVBEWZOQHY-UHFFFAOYSA-N 0 2 387.742 3.413 10 0 GGAELN C[C@@H]1Cc2cc(S(=O)(=O)Nc3cnn(C)c3C(F)F)cc(Cl)c2O1 ZINC000677551565 566752529 /nfs/dbraw/zinc/75/25/29/566752529.db2.gz BPWYKOHTFIVABH-SSDOTTSWSA-N 0 2 377.800 3.135 10 0 GGAELN C[NH+](C)c1ccc(NS(=O)(=O)C[C@@H]2CCCCC2(F)F)c(C(=O)[O-])c1 ZINC000654768096 566752942 /nfs/dbraw/zinc/75/29/42/566752942.db2.gz JCVGETJWZHFTGO-NSHDSACASA-N 0 2 376.425 3.018 10 0 GGAELN Cn1ncc(NS(=O)(=O)c2cc(Br)ccc2F)c1C(F)F ZINC000677552088 566753476 /nfs/dbraw/zinc/75/34/76/566753476.db2.gz OMXPTFMBLWGOEA-UHFFFAOYSA-N 0 2 384.177 3.060 10 0 GGAELN CCOC(=O)Cc1cnc(NS(=O)(=O)c2cc(C)c(F)cc2Cl)s1 ZINC000451108531 566759577 /nfs/dbraw/zinc/75/95/77/566759577.db2.gz WMXPADIXFJPJTL-UHFFFAOYSA-N 0 2 392.861 3.150 10 0 GGAELN CC(C)CCc1ccc(NS(=O)(=O)c2cnn(CC(F)(F)F)c2)nc1 ZINC000451107413 566760037 /nfs/dbraw/zinc/76/00/37/566760037.db2.gz RAKHSZBCPXJFPV-UHFFFAOYSA-N 0 2 376.404 3.230 10 0 GGAELN Cc1nc2ccc(S(=O)(=O)Nc3cnn(C)c3C(F)(F)F)cc2s1 ZINC000427304529 566765947 /nfs/dbraw/zinc/76/59/47/566765947.db2.gz LBXIYJLLKNEBFL-UHFFFAOYSA-N 0 2 376.385 3.158 10 0 GGAELN CO[C@@H]1CC[C@@H](NC(=O)N=c2ccc(-c3ccc(Br)s3)n[nH]2)C1 ZINC000581347960 566770491 /nfs/dbraw/zinc/77/04/91/566770491.db2.gz STZZQYFSTBSSRT-NXEZZACHSA-N 0 2 397.298 3.079 10 0 GGAELN CO[C@H]1CC[C@H](NC(=O)N=c2ccc(-c3ccc(Br)s3)n[nH]2)C1 ZINC000581347961 566770588 /nfs/dbraw/zinc/77/05/88/566770588.db2.gz STZZQYFSTBSSRT-UWVGGRQHSA-N 0 2 397.298 3.079 10 0 GGAELN CC(C)Oc1ccc(=NCc2nc(-c3cccc(Br)c3)c[nH]2)[nH]n1 ZINC000562245525 566774129 /nfs/dbraw/zinc/77/41/29/566774129.db2.gz MOUHDGUETOZRET-UHFFFAOYSA-N 0 2 388.269 3.450 10 0 GGAELN COc1cc(F)c(S(=O)(=O)Nc2ccc(C(C)=O)c(Cl)c2)cc1OC ZINC000542093906 566775211 /nfs/dbraw/zinc/77/52/11/566775211.db2.gz MOCWJQWPDHYDLY-UHFFFAOYSA-N 0 2 387.816 3.500 10 0 GGAELN O=c1[nH]nc(C2CCN(c3ncc(Br)cc3C(F)(F)F)CC2)o1 ZINC000631265182 566795467 /nfs/dbraw/zinc/79/54/67/566795467.db2.gz VZAXPLYDYYOYDM-UHFFFAOYSA-N 0 2 393.163 3.336 10 0 GGAELN Cc1cc(Br)cc(C)c1CNC(=O)N=c1ncn(C(C)(C)C)[nH]1 ZINC000542435556 566800500 /nfs/dbraw/zinc/80/05/00/566800500.db2.gz URISBFFPOZFUJK-UHFFFAOYSA-N 0 2 380.290 3.156 10 0 GGAELN CO[C@@H](CS(=O)(=O)Nc1ncc(Cc2ccc(C)c(F)c2)s1)C1CC1 ZINC000517030857 566801436 /nfs/dbraw/zinc/80/14/36/566801436.db2.gz YVFHBCRCNAVKQP-INIZCTEOSA-N 0 2 384.498 3.348 10 0 GGAELN Cc1ccsc1-c1nc(=NC(=O)N2CCOC[C@H]2CC2CCC2)s[nH]1 ZINC000562606175 566805662 /nfs/dbraw/zinc/80/56/62/566805662.db2.gz RCLCASBTNQNJRX-CYBMUJFWSA-N 0 2 378.523 3.420 10 0 GGAELN COC(=O)c1ccc(S(=O)(=O)Nc2cccc(Cl)c2O)c(Cl)c1 ZINC000610124061 566807322 /nfs/dbraw/zinc/80/73/22/566807322.db2.gz UXTMONQHZZFIJP-UHFFFAOYSA-N 0 2 376.217 3.286 10 0 GGAELN COc1cc(C(F)(F)F)cc(S(=O)(=O)Nc2nnc(C3CC3)s2)c1 ZINC000562707238 566815416 /nfs/dbraw/zinc/81/54/16/566815416.db2.gz IYLVVGKQXXKWRR-UHFFFAOYSA-N 0 2 379.385 3.244 10 0 GGAELN CC(C)(C)c1cc(Br)cc(NS(=O)(=O)C[C@@H]2CCCO2)c1O ZINC000655589469 566818020 /nfs/dbraw/zinc/81/80/20/566818020.db2.gz UMGQVMWADCLECX-NSHDSACASA-N 0 2 392.315 3.373 10 0 GGAELN COc1cc(NS(=O)(=O)c2cnn(CC(F)F)c2)c(C2CC2)cc1Cl ZINC000655602954 566819750 /nfs/dbraw/zinc/81/97/50/566819750.db2.gz PMSIZLODXWEPKS-UHFFFAOYSA-N 0 2 391.827 3.488 10 0 GGAELN O=S(=O)(NCc1ncc(-c2ccccc2)o1)c1onc(C2CC2)c1Cl ZINC000631742020 566821941 /nfs/dbraw/zinc/82/19/41/566821941.db2.gz YYSXXAOCCMZKKC-UHFFFAOYSA-N 0 2 379.825 3.339 10 0 GGAELN CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)Nc2cccc(N(C)C)c2C)s1 ZINC000678922519 566825489 /nfs/dbraw/zinc/82/54/89/566825489.db2.gz QHPMJGFMYLYOMA-LBPRGKRZSA-N 0 2 381.523 3.120 10 0 GGAELN O=C(CSc1ccc2c(c1)OCCO2)N=c1nc(-c2ccsc2)[nH]s1 ZINC000517553072 566830788 /nfs/dbraw/zinc/83/07/88/566830788.db2.gz OPOHOJMQAZMGML-UHFFFAOYSA-N 0 2 391.499 3.191 10 0 GGAELN CO[C@@H](CS(=O)(=O)Nc1cccc2c(Br)ccnc12)C1CC1 ZINC000582122712 566833172 /nfs/dbraw/zinc/83/31/72/566833172.db2.gz WVKBFYARGATEIP-AWEZNQCLSA-N 0 2 385.283 3.164 10 0 GGAELN Cc1[nH]ncc1CCCNS(=O)(=O)c1cccc(Br)c1Cl ZINC000451550856 566837377 /nfs/dbraw/zinc/83/73/77/566837377.db2.gz SOORBCPXHZMLAI-UHFFFAOYSA-N 0 2 392.706 3.045 10 0 GGAELN C[C@H](O)C[C@@H](CNS(=O)(=O)c1onc(C2CC2)c1Cl)c1ccccc1 ZINC000632099987 566849705 /nfs/dbraw/zinc/84/97/05/566849705.db2.gz SGOUCXSIFWDSLZ-FZMZJTMJSA-N 0 2 384.885 3.038 10 0 GGAELN C[C@@H](NC(=O)CC1CSC1)c1ccccc1NS(=O)(=O)c1cccs1 ZINC000632104017 566849947 /nfs/dbraw/zinc/84/99/47/566849947.db2.gz AQLWHZSRFKQARB-GFCCVEGCSA-N 0 2 396.559 3.479 10 0 GGAELN COC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1cc(F)c(SC)c(F)c1 ZINC000543164512 566858331 /nfs/dbraw/zinc/85/83/31/566858331.db2.gz QZSQYERSUPDPIN-UHFFFAOYSA-N 0 2 391.417 3.484 10 0 GGAELN O=S(=O)(N[C@@H](c1ccccc1)[C@H]1CCOC1)c1onc(C2CC2)c1Cl ZINC000632177193 566858687 /nfs/dbraw/zinc/85/86/87/566858687.db2.gz NSKMGZWMXURUGS-ZFWWWQNUSA-N 0 2 382.869 3.262 10 0 GGAELN COC(=O)[C@@H](NS(=O)(=O)c1cc(C)c(F)cc1Cl)c1ccccc1F ZINC000610760092 566861533 /nfs/dbraw/zinc/86/15/33/566861533.db2.gz DLQCMKKDJIPMEH-HNNXBMFYSA-N 0 2 389.807 3.119 10 0 GGAELN Cc1c(C[S@](C)=O)cccc1NS(=O)(=O)c1cccnc1C(F)(F)F ZINC000518247226 566873312 /nfs/dbraw/zinc/87/33/12/566873312.db2.gz PVRAFAOQTKMTCG-DEOSSOPVSA-N 0 2 392.424 3.088 10 0 GGAELN CC(C)(C)n1cnc(=NC(=O)NC(C)(C)Cc2ccc(Br)cc2)[nH]1 ZINC000543369030 566873313 /nfs/dbraw/zinc/87/33/13/566873313.db2.gz YIKPKNJAKIAFKB-UHFFFAOYSA-N 0 2 394.317 3.360 10 0 GGAELN COC(=O)c1ccc(S(=O)(=O)Nc2cc(F)ccc2OC(F)F)cc1 ZINC000470450077 566873895 /nfs/dbraw/zinc/87/38/95/566873895.db2.gz SOQUZXPQMUGOIL-UHFFFAOYSA-N 0 2 375.324 3.015 10 0 GGAELN O=S(=O)(Cc1ncsc1Br)N[C@H](c1ccccc1)C(F)F ZINC000632364514 566879524 /nfs/dbraw/zinc/87/95/24/566879524.db2.gz VVILHOQRLNJJCA-SNVBAGLBSA-N 0 2 397.266 3.331 10 0 GGAELN CO[C@H](CCNC(=O)N=c1nc(-c2sccc2C)[nH]s1)C(F)(F)F ZINC000470528226 566880194 /nfs/dbraw/zinc/88/01/94/566880194.db2.gz JNWIHFBBLDVYNW-MRVPVSSYSA-N 0 2 380.417 3.086 10 0 GGAELN CCc1nnc(NS(=O)(=O)Cc2cccc(Br)c2C)s1 ZINC000656182743 566880798 /nfs/dbraw/zinc/88/07/98/566880798.db2.gz ZJBASHLWEMKVFZ-UHFFFAOYSA-N 0 2 376.301 3.113 10 0 GGAELN CC(C)Oc1cncc(NS(=O)(=O)Cc2ccccc2C(F)(F)F)n1 ZINC000656187245 566883409 /nfs/dbraw/zinc/88/34/09/566883409.db2.gz QNSBTKDHWRYCSO-UHFFFAOYSA-N 0 2 375.372 3.225 10 0 GGAELN COc1cccc2nc(NS(=O)(=O)c3c(C)nn(C(C)C)c3C)sc21 ZINC000656187229 566883557 /nfs/dbraw/zinc/88/35/57/566883557.db2.gz PSEXEEZACHGBTN-UHFFFAOYSA-N 0 2 380.495 3.500 10 0 GGAELN CCN(CC)Cc1csc(NS(=O)(=O)c2ccc(Cl)c(OC)c2)n1 ZINC000656185181 566883660 /nfs/dbraw/zinc/88/36/60/566883660.db2.gz OSCIVJXGOLRWBG-UHFFFAOYSA-N 0 2 389.930 3.448 10 0 GGAELN O=C(NCC1(O)Cc2ccccc2C1)c1cc(Cl)cc(Br)c1O ZINC000563503181 566889368 /nfs/dbraw/zinc/88/93/68/566889368.db2.gz GYNQFHGVOOUCQP-UHFFFAOYSA-N 0 2 396.668 3.068 10 0 GGAELN C[C@H]1CCCc2nc(S(=O)(=O)Nc3nnc(-c4ccsc4)s3)cn21 ZINC000563517478 566890831 /nfs/dbraw/zinc/89/08/31/566890831.db2.gz UTGKMRFNTYFETD-VIFPVBQESA-N 0 2 381.508 3.161 10 0 GGAELN CCS[C@H]1CCC[C@@H]1NC(=O)N=c1nc(-c2cccc(OC)c2)[nH]s1 ZINC000543621289 566894676 /nfs/dbraw/zinc/89/46/76/566894676.db2.gz LIHHGQXHKZNVHB-KBPBESRZSA-N 0 2 378.523 3.431 10 0 GGAELN COC(=O)Cc1ccc(NS(=O)(=O)c2sccc2Br)cc1 ZINC000518842465 566906221 /nfs/dbraw/zinc/90/62/21/566906221.db2.gz HRFZGEITWZXHRC-UHFFFAOYSA-N 0 2 390.280 3.027 10 0 GGAELN O=C(c1oc2ccccc2c1Br)N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000632808657 566915931 /nfs/dbraw/zinc/91/59/31/566915931.db2.gz VOWGPDWYPQPWNF-UHFFFAOYSA-N 0 2 391.225 3.039 10 0 GGAELN Cc1cc(Br)cnc1NS(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000543857826 566917572 /nfs/dbraw/zinc/91/75/72/566917572.db2.gz BPFDIAJLSVFONK-UHFFFAOYSA-N 0 2 396.188 3.367 10 0 GGAELN Cc1cc(Br)cn2cc(CNC(=O)c3c(O)cc(F)cc3F)nc12 ZINC000680604755 566921445 /nfs/dbraw/zinc/92/14/45/566921445.db2.gz AGZFNVSTWNJPSV-UHFFFAOYSA-N 0 2 396.191 3.319 10 0 GGAELN O=S(=O)(Nc1ccn(C2CCOCC2)n1)c1ccc(C(F)(F)F)cc1 ZINC000656636476 566929868 /nfs/dbraw/zinc/92/98/68/566929868.db2.gz IADJWRQQEHYOAR-UHFFFAOYSA-N 0 2 375.372 3.054 10 0 GGAELN CN1CCc2cc(NS(=O)(=O)c3ccc(C(C)(C)C)s3)ccc2C1=O ZINC000656635342 566930034 /nfs/dbraw/zinc/93/00/34/566930034.db2.gz URCNGYHNTITOJC-UHFFFAOYSA-N 0 2 378.519 3.475 10 0 GGAELN O=S(=O)(Nc1ccn(C2CCOCC2)n1)c1cccc(C(F)(F)F)c1 ZINC000656636485 566930184 /nfs/dbraw/zinc/93/01/84/566930184.db2.gz INLMKOSIBQUJNC-UHFFFAOYSA-N 0 2 375.372 3.054 10 0 GGAELN O=S(=O)(Nc1ccn(C2CCOCC2)n1)c1cc(Cl)cc(Cl)c1 ZINC000656636663 566930757 /nfs/dbraw/zinc/93/07/57/566930757.db2.gz RKVVVKCIWXGFEP-UHFFFAOYSA-N 0 2 376.265 3.342 10 0 GGAELN CO[C@H](CS(=O)(=O)N[C@H](c1cc(F)ccc1F)C(F)F)C1CCCC1 ZINC000656732959 566940449 /nfs/dbraw/zinc/94/04/49/566940449.db2.gz CMGLOLACGYLWMQ-HUUCEWRRSA-N 0 2 383.407 3.396 10 0 GGAELN CC(C)Cc1nnc(NS(=O)(=O)c2cc(Cl)cc(Br)c2)o1 ZINC000656733549 566941114 /nfs/dbraw/zinc/94/11/14/566941114.db2.gz KYIOMJNSJSGVDO-UHFFFAOYSA-N 0 2 394.678 3.485 10 0 GGAELN CC(C)CCc1nnc(NS(=O)(=O)c2cnccc2C(F)(F)F)s1 ZINC000656736993 566942407 /nfs/dbraw/zinc/94/24/07/566942407.db2.gz XESUWELGFATIMV-UHFFFAOYSA-N 0 2 380.417 3.341 10 0 GGAELN CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)Nc2cncc3c2CCCC3)s1 ZINC000656736870 566942795 /nfs/dbraw/zinc/94/27/95/566942795.db2.gz RTMXREDJUQSWDS-NSHDSACASA-N 0 2 379.507 3.020 10 0 GGAELN CC(=O)Nc1cc(S(=O)(=O)Nc2nnc(CCC(C)C)s2)ccc1F ZINC000656736689 566942979 /nfs/dbraw/zinc/94/29/79/566942979.db2.gz NVCCZJQHHVQAKY-UHFFFAOYSA-N 0 2 386.474 3.025 10 0 GGAELN CN(C)c1cccc(S(=O)(=O)Nc2ccnn2-c2cccc(Cl)c2)c1 ZINC000493107172 566943275 /nfs/dbraw/zinc/94/32/75/566943275.db2.gz QZDDHMSEGGCCIU-UHFFFAOYSA-N 0 2 376.869 3.393 10 0 GGAELN Cc1cnn(C)c1NS(=O)(=O)c1ccc(Br)c(C(F)(F)F)c1 ZINC000656739822 566944264 /nfs/dbraw/zinc/94/42/64/566944264.db2.gz ZPZXDXYEZKZUTP-UHFFFAOYSA-N 0 2 398.204 3.311 10 0 GGAELN CCCOc1ccc(Br)cc1S(=O)(=O)Nc1c(C)cnn1C ZINC000656739971 566944455 /nfs/dbraw/zinc/94/44/55/566944455.db2.gz DAXPIYBSCIZUIW-UHFFFAOYSA-N 0 2 388.287 3.081 10 0 GGAELN O=C(c1cc(Br)c(F)cc1O)N1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000452173738 566946226 /nfs/dbraw/zinc/94/62/26/566946226.db2.gz ZSWBVBHBXJMANH-GJZGRUSLSA-N 0 2 384.245 3.468 10 0 GGAELN O=C(CCCN=c1[nH]nc(C2CCOCC2)s1)Nc1ccc(Cl)cc1 ZINC000583393510 566948042 /nfs/dbraw/zinc/94/80/42/566948042.db2.gz HPOIZIFOLIUJJB-UHFFFAOYSA-N 0 2 380.901 3.338 10 0 GGAELN CC[C@@H](Cc1ccccc1Br)NC(=O)N=c1ncn(C(C)(C)C)[nH]1 ZINC000544317705 566952865 /nfs/dbraw/zinc/95/28/65/566952865.db2.gz ABCWJRKEULTZFM-ZDUSSCGKSA-N 0 2 394.317 3.360 10 0 GGAELN CC(C)(C)n1cnc(=NC(=O)NCCCOc2ccc(Cl)cc2Cl)[nH]1 ZINC000544314784 566953012 /nfs/dbraw/zinc/95/30/12/566953012.db2.gz QMGLDHMNCKSBQA-UHFFFAOYSA-N 0 2 386.283 3.352 10 0 GGAELN CC[C@H](c1nnc(NS(=O)(=O)c2cn(CC)cn2)s1)c1ccccc1 ZINC000471506109 566956709 /nfs/dbraw/zinc/95/67/09/566956709.db2.gz DQSIPXRHNGYTLW-ZDUSSCGKSA-N 0 2 377.495 3.097 10 0 GGAELN COC(=O)c1ccc(S(=O)(=O)Nc2nnc(-c3ccsc3)s2)c(C)c1 ZINC000471514581 566957533 /nfs/dbraw/zinc/95/75/33/566957533.db2.gz FITHUHNCHXXNRI-UHFFFAOYSA-N 0 2 395.487 3.162 10 0 GGAELN CC(C)Cc1nnc(NS(=O)(=O)c2cccc(Br)c2Cl)o1 ZINC000519676814 566958529 /nfs/dbraw/zinc/95/85/29/566958529.db2.gz PDULSPGRAYXYRD-UHFFFAOYSA-N 0 2 394.678 3.485 10 0 GGAELN CCc1ccc(S(=O)(=O)Nc2ccc(Cl)c(S(C)(=O)=O)c2)s1 ZINC000471564427 566960870 /nfs/dbraw/zinc/96/08/70/566960870.db2.gz FHPDLORYVNRAPD-UHFFFAOYSA-N 0 2 379.912 3.168 10 0 GGAELN CNC(=O)c1cc(Cl)c(C)c(S(=O)(=O)Nc2cccc(C3CC3)n2)c1 ZINC000583740175 566978758 /nfs/dbraw/zinc/97/87/58/566978758.db2.gz FJBYCCJMQSVGMD-UHFFFAOYSA-N 0 2 379.869 3.081 10 0 GGAELN CCn1nccc1S(=O)(=O)Nc1nc2c(cccc2C(F)(F)F)s1 ZINC000471946014 566988215 /nfs/dbraw/zinc/98/82/15/566988215.db2.gz ILCVSUQLRDTIRJ-UHFFFAOYSA-N 0 2 376.385 3.332 10 0 GGAELN O=C(COc1cccc(Br)c1)N=c1nc(-c2ccsc2)[nH]s1 ZINC000520223700 566989624 /nfs/dbraw/zinc/98/96/24/566989624.db2.gz OAUYQTDMMUMJCK-UHFFFAOYSA-N 0 2 396.291 3.469 10 0 GGAELN COC(=O)c1ccc(S(=O)(=O)Nc2cc(F)cc(Cl)c2O)c(Cl)c1 ZINC000471984284 566991712 /nfs/dbraw/zinc/99/17/12/566991712.db2.gz NJTUIMRXVBKYKR-UHFFFAOYSA-N 0 2 394.207 3.426 10 0 GGAELN CCOc1cc(C(=O)N=c2ccn(C3CCSCC3)[nH]2)cc(Cl)c1O ZINC000633858257 567000642 /nfs/dbraw/zinc/00/06/42/567000642.db2.gz NFWHDDONVGFEJO-UHFFFAOYSA-N 0 2 381.885 3.383 10 0 GGAELN COC(=O)[C@@H](NS(=O)(=O)c1cc(C)c(F)cc1Cl)c1cccs1 ZINC000472124624 567003439 /nfs/dbraw/zinc/00/34/39/567003439.db2.gz RMHLABDKCHDDDI-ZDUSSCGKSA-N 0 2 377.846 3.042 10 0 GGAELN COc1ccc(OCC(=O)N=c2nc(-c3sccc3C)[nH]s2)cc1C ZINC000472289881 567015510 /nfs/dbraw/zinc/01/55/10/567015510.db2.gz APAKSZGNMWIMKT-UHFFFAOYSA-N 0 2 375.475 3.331 10 0 GGAELN CCc1cccc(CC)c1S(=O)(=O)Nc1nnc(-c2c[nH]nc2C)s1 ZINC000682001588 567023455 /nfs/dbraw/zinc/02/34/55/567023455.db2.gz OBQKKGVNPMFGLO-UHFFFAOYSA-N 0 2 377.495 3.162 10 0 GGAELN Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C)[C@H](C(=O)[O-])C2)c(Br)c1 ZINC000564966601 567026506 /nfs/dbraw/zinc/02/65/06/567026506.db2.gz XOMCDVKUNFKLAD-FRRDWIJNSA-N 0 2 383.286 3.127 10 0 GGAELN Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](C)[C@H](C(=O)[O-])C2)c(Br)c1 ZINC000564966601 567026512 /nfs/dbraw/zinc/02/65/12/567026512.db2.gz XOMCDVKUNFKLAD-FRRDWIJNSA-N 0 2 383.286 3.127 10 0 GGAELN CC[C@@](C)(NS(=O)(=O)c1c(F)cc(NC(C)=O)c(Cl)c1F)C1CC1 ZINC000657178967 567033589 /nfs/dbraw/zinc/03/35/89/567033589.db2.gz PSGYQZZFRLVFQC-OAHLLOKOSA-N 0 2 380.844 3.434 10 0 GGAELN O=S(=O)(Nc1ccccc1SCC(F)(F)F)c1cnc2n1CCC2 ZINC000682150168 567034574 /nfs/dbraw/zinc/03/45/74/567034574.db2.gz AQUUTMBADKWPSU-UHFFFAOYSA-N 0 2 377.413 3.285 10 0 GGAELN CO[C@@H](CS(=O)(=O)Nc1nc(C)c(Cc2ccc(F)cc2)s1)C1CC1 ZINC000521044039 567038035 /nfs/dbraw/zinc/03/80/35/567038035.db2.gz OSTOSEBOCCZVHW-HNNXBMFYSA-N 0 2 384.498 3.348 10 0 GGAELN CCc1c(NS(=O)(=O)c2cnccc2C(F)(F)F)cnn1CC(C)C ZINC000682367621 567039535 /nfs/dbraw/zinc/03/95/35/567039535.db2.gz RPDIUYNTCNLDIR-UHFFFAOYSA-N 0 2 376.404 3.316 10 0 GGAELN CCC[C@@H]1C(=O)N(c2ccc(S(=O)(=O)Nc3nccs3)cc2)N=C1C ZINC000634616977 567040565 /nfs/dbraw/zinc/04/05/65/567040565.db2.gz CEEMYQPIBVTVJR-AWEZNQCLSA-N 0 2 378.479 3.083 10 0 GGAELN CCCc1c(C)[nH]n(-c2ccc(S(=O)(=O)Nc3nccs3)cc2)c1=O ZINC000634616977 567040574 /nfs/dbraw/zinc/04/05/74/567040574.db2.gz CEEMYQPIBVTVJR-AWEZNQCLSA-N 0 2 378.479 3.083 10 0 GGAELN CCC[C@H]1C(=O)N(c2ccc(S(=O)(=O)Nc3nccs3)cc2)N=C1C ZINC000634616978 567040751 /nfs/dbraw/zinc/04/07/51/567040751.db2.gz CEEMYQPIBVTVJR-CQSZACIVSA-N 0 2 378.479 3.083 10 0 GGAELN CCCc1c(C)[nH]n(-c2ccc(S(=O)(=O)Nc3nccs3)cc2)c1=O ZINC000634616978 567040757 /nfs/dbraw/zinc/04/07/57/567040757.db2.gz CEEMYQPIBVTVJR-CQSZACIVSA-N 0 2 378.479 3.083 10 0 GGAELN Cn1nc(-c2ccsc2)cc1NS(=O)(=O)c1cnn(C2CCCC2)c1 ZINC000634657570 567044934 /nfs/dbraw/zinc/04/49/34/567044934.db2.gz QXMAQHJUZAEHAW-UHFFFAOYSA-N 0 2 377.495 3.261 10 0 GGAELN COc1cccc(S(=O)(=O)Nc2nnc(C(F)(F)C(F)(F)F)s2)c1 ZINC000634659176 567045876 /nfs/dbraw/zinc/04/58/76/567045876.db2.gz AVEHCVDGTFCNQJ-UHFFFAOYSA-N 0 2 389.327 3.002 10 0 GGAELN Cc1cc(S(=O)(=O)Nc2nnc(C(F)(F)C(F)(F)F)s2)c(C)o1 ZINC000634659459 567046179 /nfs/dbraw/zinc/04/61/79/567046179.db2.gz UIXAXZWRCSWBMB-UHFFFAOYSA-N 0 2 377.316 3.203 10 0 GGAELN Cc1c(F)cccc1S(=O)(=O)Nc1nnc(C(F)(F)C(F)(F)F)s1 ZINC000634659209 567046391 /nfs/dbraw/zinc/04/63/91/567046391.db2.gz CKVVKENOAKHTAT-UHFFFAOYSA-N 0 2 391.318 3.441 10 0 GGAELN C[C@@H]1C[C@H]1c1nnc(NS(=O)(=O)c2cc(Cl)cc(Br)c2)o1 ZINC000634662458 567048339 /nfs/dbraw/zinc/04/83/39/567048339.db2.gz NGNSXIXCTKVGOH-LHLIQPBNSA-N 0 2 392.662 3.410 10 0 GGAELN Cc1ccc2sc(NS(=O)(=O)c3c(C(F)(F)F)cnn3C)nc2c1C ZINC000634663221 567050149 /nfs/dbraw/zinc/05/01/49/567050149.db2.gz ZGYFQZHZJGSNLO-UHFFFAOYSA-N 0 2 390.412 3.466 10 0 GGAELN Cc1cc(S(=O)(=O)Nc2nnc([C@H]3CCCO3)s2)c(Cl)cc1F ZINC000634665080 567052153 /nfs/dbraw/zinc/05/21/53/567052153.db2.gz VKZSIXRFFWSTRO-SNVBAGLBSA-N 0 2 377.850 3.291 10 0 GGAELN CCc1cc(S(=O)(=O)Nc2nnc([C@H]3CCCO3)s2)c(C)cc1OC ZINC000634664868 567052483 /nfs/dbraw/zinc/05/24/83/567052483.db2.gz OYGKVPLWWUYUMI-GFCCVEGCSA-N 0 2 383.495 3.070 10 0 GGAELN CNC(=O)c1cc(Cl)c(C)c(S(=O)(=O)Nc2ncsc2C(C)C)c1 ZINC000565291897 567055750 /nfs/dbraw/zinc/05/57/50/567055750.db2.gz QJABZVWGWYAKPP-UHFFFAOYSA-N 0 2 387.914 3.389 10 0 GGAELN CO[C@@H]1CCC[C@@H]([C@H](CO)[NH2+]Cc2c[nH+]c3c(C)cc(Br)cn23)C1 ZINC000657577078 567073103 /nfs/dbraw/zinc/07/31/03/567073103.db2.gz OKXCFHTUWLRGGA-XYPHTWIQSA-N 0 2 396.329 3.061 10 0 GGAELN COc1cc(S(=O)(=O)Nc2cnc(C(F)(F)F)cc2OC)ccc1F ZINC000682872790 567078149 /nfs/dbraw/zinc/07/81/49/567078149.db2.gz WXDLCXRTEHWKNH-UHFFFAOYSA-N 0 2 380.319 3.058 10 0 GGAELN COC(=O)Cc1ccc(NS(=O)(=O)c2c(Cl)ccc(F)c2F)cc1 ZINC000585732812 567084419 /nfs/dbraw/zinc/08/44/19/567084419.db2.gz XAHUUTHYTGBETQ-UHFFFAOYSA-N 0 2 375.780 3.135 10 0 GGAELN O=S(=O)(Nc1ncc(C(F)(F)F)s1)c1cnn(Cc2ccccc2)c1 ZINC000473757657 567100905 /nfs/dbraw/zinc/10/09/05/567100905.db2.gz VCHMYTQYTTVLND-UHFFFAOYSA-N 0 2 388.396 3.208 10 0 GGAELN CC(=O)Nc1cc(S(=O)(=O)Nc2ncc(C(F)(F)F)s2)ccc1C ZINC000473759753 567101073 /nfs/dbraw/zinc/10/10/73/567101073.db2.gz CHUMAHFBBKSSOA-UHFFFAOYSA-N 0 2 379.385 3.230 10 0 GGAELN CCO[C@H]1C[C@@H](NC(=O)N=c2nc(-c3sccc3C)[nH]s2)C12CCC2 ZINC000473822913 567104548 /nfs/dbraw/zinc/10/45/48/567104548.db2.gz PSTYPGHPQLNURD-NEPJUHHUSA-N 0 2 378.523 3.466 10 0 GGAELN CC(C)(C)Oc1ccccc1NS(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000522360534 567114216 /nfs/dbraw/zinc/11/42/16/567114216.db2.gz DCHYKNYSKVPHGP-UHFFFAOYSA-N 0 2 383.491 3.068 10 0 GGAELN COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@H]1CCCC1(F)F ZINC000588144646 567117484 /nfs/dbraw/zinc/11/74/84/567117484.db2.gz QDGWFFFMAPXOGO-JTQLQIEISA-N 0 2 388.219 3.246 10 0 GGAELN CC(C)(C)[N@@H+]1CCc2nc([N-]S(=O)(=O)CCc3ccccc3)sc2C1 ZINC000566095530 567125820 /nfs/dbraw/zinc/12/58/20/567125820.db2.gz UGKJLWFIEHNNOS-UHFFFAOYSA-N 0 2 379.551 3.284 10 0 GGAELN CC(C)(C)[N@H+]1CCc2nc([N-]S(=O)(=O)CCc3ccccc3)sc2C1 ZINC000566095530 567125829 /nfs/dbraw/zinc/12/58/29/567125829.db2.gz UGKJLWFIEHNNOS-UHFFFAOYSA-N 0 2 379.551 3.284 10 0 GGAELN COc1cc(C)cc(NS(=O)(=O)c2ccc([C@H](C)NC(C)=O)s2)c1C ZINC000683731305 567148757 /nfs/dbraw/zinc/14/87/57/567148757.db2.gz GDBCIKZGXJGEIL-LBPRGKRZSA-N 0 2 382.507 3.371 10 0 GGAELN Cc1ccsc1-c1nc(=NC(=O)N[C@@H]2[C@H]3CCCO[C@H]3C2(C)C)s[nH]1 ZINC000546742855 567152607 /nfs/dbraw/zinc/15/26/07/567152607.db2.gz FNWZHIVSGCLRHT-RAIGVLPGSA-N 0 2 378.523 3.322 10 0 GGAELN Cc1ccsc1-c1nc(=NC(=O)N[C@@H](C)c2nnc(C(C)C)[nH]2)s[nH]1 ZINC000546745118 567153135 /nfs/dbraw/zinc/15/31/35/567153135.db2.gz LNACKWOIVFTGGM-VIFPVBQESA-N 0 2 377.499 3.121 10 0 GGAELN CC(C)Oc1cc(NS(=O)(=O)c2c(F)cccc2Cl)ccc1C(N)=O ZINC000432460962 567161717 /nfs/dbraw/zinc/16/17/17/567161717.db2.gz OIBZBBRMENCZJR-UHFFFAOYSA-N 0 2 386.832 3.166 10 0 GGAELN CCn1nccc1NS(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000589265422 567172106 /nfs/dbraw/zinc/17/21/06/567172106.db2.gz JGSPSXCOQHHIPT-UHFFFAOYSA-N 0 2 398.204 3.485 10 0 GGAELN Cc1c(Br)ccc(C(=O)Nc2cccc(-c3nc(=O)o[nH]3)c2)c1F ZINC000684047025 567173735 /nfs/dbraw/zinc/17/37/35/567173735.db2.gz HDWHOVPYAKQWEV-UHFFFAOYSA-N 0 2 392.184 3.492 10 0 GGAELN O=S(=O)(Nc1ncc(-c2ccccn2)s1)c1cccnc1C(F)(F)F ZINC000566702230 567181533 /nfs/dbraw/zinc/18/15/33/567181533.db2.gz ZSJAWBFPOXYUBN-UHFFFAOYSA-N 0 2 386.380 3.420 10 0 GGAELN CC(C)(C)c1nc(=NC(=O)NC(C)(C)c2cc(C(F)(F)F)on2)s[nH]1 ZINC000432784962 567190995 /nfs/dbraw/zinc/19/09/95/567190995.db2.gz JOCIUJGMNDXLNP-UHFFFAOYSA-N 0 2 377.392 3.321 10 0 GGAELN Cc1sc(Br)cc1S(=O)(=O)Nc1cc([C@H]2CCCO2)[nH]n1 ZINC000684608773 567220614 /nfs/dbraw/zinc/22/06/14/567220614.db2.gz KJBJOAVHJYASMZ-SECBINFHSA-N 0 2 392.300 3.194 10 0 GGAELN O=C([O-])c1cccc(OCC[N@@H+]2CCOc3cc(Br)ccc3C2)c1 ZINC000659803700 567226108 /nfs/dbraw/zinc/22/61/08/567226108.db2.gz NBNRTEOIPHKLFL-UHFFFAOYSA-N 0 2 392.249 3.421 10 0 GGAELN O=C([O-])c1cccc(OCC[N@H+]2CCOc3cc(Br)ccc3C2)c1 ZINC000659803700 567226116 /nfs/dbraw/zinc/22/61/16/567226116.db2.gz NBNRTEOIPHKLFL-UHFFFAOYSA-N 0 2 392.249 3.421 10 0 GGAELN CC(C)(NC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1)C(F)(F)F ZINC000616204144 567233913 /nfs/dbraw/zinc/23/39/13/567233913.db2.gz POCGPBUACMOPDM-UHFFFAOYSA-N 0 2 393.412 3.015 10 0 GGAELN Cc1c(NS(=O)(=O)c2cc3c(cc2Cl)OCCO3)cnn1CC(C)C ZINC000499295531 567236118 /nfs/dbraw/zinc/23/61/18/567236118.db2.gz IJXFHVDWBCRRHR-UHFFFAOYSA-N 0 2 385.873 3.073 10 0 GGAELN CC(C)(C)n1cnc(=NC(=O)N2CC[C@H](c3cccc(Br)c3)C2)[nH]1 ZINC000455126331 567236287 /nfs/dbraw/zinc/23/62/87/567236287.db2.gz DGZACILWHCITKC-ZDUSSCGKSA-N 0 2 392.301 3.239 10 0 GGAELN CC[C@@H](COCC(F)(F)F)NC(=O)N=c1nc(-c2sccc2C)[nH]s1 ZINC000455143705 567238054 /nfs/dbraw/zinc/23/80/54/567238054.db2.gz DZVOXNGFFUWBAG-VIFPVBQESA-N 0 2 394.444 3.476 10 0 GGAELN CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@@H](C(C)C)C2CC2)c(F)c1Cl ZINC000660045375 567252397 /nfs/dbraw/zinc/25/23/97/567252397.db2.gz XEMYVOCSANHCSJ-AWEZNQCLSA-N 0 2 380.844 3.290 10 0 GGAELN CCc1ccc(S(=O)(=O)Nc2ccc(OCC(=O)OC)c(Cl)c2)s1 ZINC000433613565 567261022 /nfs/dbraw/zinc/26/10/22/567261022.db2.gz XGHKDPODJRAICZ-UHFFFAOYSA-N 0 2 389.882 3.317 10 0 GGAELN COC(=O)c1cc(NS(=O)(=O)c2sccc2C)ccc1Br ZINC000548029551 567274663 /nfs/dbraw/zinc/27/46/63/567274663.db2.gz WOOKFECGUUIKQR-UHFFFAOYSA-N 0 2 390.280 3.406 10 0 GGAELN Cc1n[nH]cc1S(=O)(=O)Nc1ccc(C(F)(F)F)c(Br)c1 ZINC000526044001 567285070 /nfs/dbraw/zinc/28/50/70/567285070.db2.gz HMPMBNZYILZGTA-UHFFFAOYSA-N 0 2 384.177 3.300 10 0 GGAELN COc1cnccc1[C@@H](C)NC(=O)N=c1nc(-c2sccc2C)[nH]s1 ZINC000526096983 567290848 /nfs/dbraw/zinc/29/08/48/567290848.db2.gz PJOJWTFAZMAYES-SNVBAGLBSA-N 0 2 375.479 3.283 10 0 GGAELN O=C(CCOCC1CC1)Nc1nc(-c2ccc(Br)cc2F)n[nH]1 ZINC000434070738 567292776 /nfs/dbraw/zinc/29/27/76/567292776.db2.gz GZYPRLBSIVFFPV-UHFFFAOYSA-N 0 2 383.221 3.129 10 0 GGAELN O=S(=O)(Nc1ncc(Cc2cccc(Cl)c2)s1)c1cnc2n1CCC2 ZINC000526115120 567293935 /nfs/dbraw/zinc/29/39/35/567293935.db2.gz PSEMHJQBFQUCRG-UHFFFAOYSA-N 0 2 394.909 3.331 10 0 GGAELN COc1ccc(NS(=O)(=O)c2cccc(Br)c2Cl)nc1 ZINC000685912397 567310733 /nfs/dbraw/zinc/31/07/33/567310733.db2.gz HEYULCJWKYTMTJ-UHFFFAOYSA-N 0 2 377.647 3.307 10 0 GGAELN COc1cccc(-c2nc(=NC(=O)COc3cccc(Cl)c3)s[nH]2)c1 ZINC000476284867 567312414 /nfs/dbraw/zinc/31/24/14/567312414.db2.gz JGCALHAKMFSMEA-UHFFFAOYSA-N 0 2 375.837 3.307 10 0 GGAELN Cc1ccc2cccnc2c1S(=O)(=O)Nc1ccc(C(N)=O)c(Cl)c1 ZINC000476406723 567321129 /nfs/dbraw/zinc/32/11/29/567321129.db2.gz NGVMBSMKYWZXQT-UHFFFAOYSA-N 0 2 375.837 3.096 10 0 GGAELN CCC(C)(C)[C@H](C)NC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000617569815 567323784 /nfs/dbraw/zinc/32/37/84/567323784.db2.gz FEPJNNSWHKCGCN-LBPRGKRZSA-N 0 2 381.523 3.498 10 0 GGAELN COC(=O)c1cc(Cl)c(C)c(S(=O)(=O)Nc2[nH]nc(C(C)C)c2C)c1 ZINC000592385222 567334997 /nfs/dbraw/zinc/33/49/97/567334997.db2.gz SHLGMSJQMXXRHX-UHFFFAOYSA-N 0 2 385.873 3.391 10 0 GGAELN Cc1cc(=NC(=O)N2CCc3ccc(F)c(Br)c3C2)[nH]nc1C ZINC000527600676 567348170 /nfs/dbraw/zinc/34/81/70/567348170.db2.gz DIBSXHLWQRFSAN-UHFFFAOYSA-N 0 2 379.233 3.007 10 0 GGAELN CC(C)c1ncc2c(n1)CCN(C(=O)c1cc(Br)c(F)cc1O)C2 ZINC000527627587 567351983 /nfs/dbraw/zinc/35/19/83/567351983.db2.gz ZMKWYBYJPBGKKW-UHFFFAOYSA-N 0 2 394.244 3.406 10 0 GGAELN Cc1ccsc1-c1nc(=NC(=O)[C@H](C)NC(=O)C2CCCCC2)s[nH]1 ZINC000548865601 567356841 /nfs/dbraw/zinc/35/68/41/567356841.db2.gz YXXMONZFRIAUHD-NSHDSACASA-N 0 2 378.523 3.020 10 0 GGAELN CCn1cnc(S(=O)(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)c1 ZINC000476943280 567359885 /nfs/dbraw/zinc/35/98/85/567359885.db2.gz ZIJUBQMCWHCOHT-UHFFFAOYSA-N 0 2 382.898 3.405 10 0 GGAELN CO[C@H]1C[C@@H](N(C)C(=O)N=c2ccc(-c3ccc(Br)s3)n[nH]2)C1 ZINC000569136220 567382175 /nfs/dbraw/zinc/38/21/75/567382175.db2.gz MMNBVFPCBQYXDZ-AOOOYVTPSA-N 0 2 397.298 3.031 10 0 GGAELN O=S(=O)(Nc1cc(C(F)(F)F)[nH]n1)c1cccc(OC(F)(F)F)c1 ZINC000435718971 567384768 /nfs/dbraw/zinc/38/47/68/567384768.db2.gz HMEBUZRRJRHZAJ-UHFFFAOYSA-N 0 2 375.250 3.128 10 0 GGAELN CC1(C2(NC(=O)c3ccc(S(=O)(=O)Nc4nccs4)cc3)CC2)CC1 ZINC000456643792 567398619 /nfs/dbraw/zinc/39/86/19/567398619.db2.gz JIWZTVHZNARJBX-UHFFFAOYSA-N 0 2 377.491 3.006 10 0 GGAELN CCn1nccc1S(=O)(=O)Nc1nc(C)c(Cc2cccc(C)c2)s1 ZINC000569407428 567402607 /nfs/dbraw/zinc/40/26/07/567402607.db2.gz WBHHLWANVSZMCD-UHFFFAOYSA-N 0 2 376.507 3.368 10 0 GGAELN CC(=O)Nc1cc(F)c(S(=O)(=O)NC[C@@H]2CC[C@H]3C[C@H]3C2)c(F)c1Cl ZINC000528447833 567423707 /nfs/dbraw/zinc/42/37/07/567423707.db2.gz DNESBEJTTWQXNU-OUAUKWLOSA-N 0 2 392.855 3.291 10 0 GGAELN C[C@H](NC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1)C1CCCC1 ZINC000456890746 567424376 /nfs/dbraw/zinc/42/43/76/567424376.db2.gz AICVXTJUFOFQMY-LBPRGKRZSA-N 0 2 379.507 3.252 10 0 GGAELN O=C(c1cc(Cl)cc(Br)c1O)N1CCc2cc[nH]c(=O)c2C1 ZINC000436818261 567454717 /nfs/dbraw/zinc/45/47/17/567454717.db2.gz ACXLJUBLYVLMAB-UHFFFAOYSA-N 0 2 383.629 3.107 10 0 GGAELN Cc1ccsc1-c1nc(=NC(=O)NC[C@H](C)C(=O)OC(C)(C)C)s[nH]1 ZINC000594087941 567459031 /nfs/dbraw/zinc/45/90/31/567459031.db2.gz JLVRQIMISJDUTN-JTQLQIEISA-N 0 2 382.511 3.096 10 0 GGAELN CCOC(=O)c1cc2cc(S(=O)(=O)Nc3cc(CC)on3)ccc2s1 ZINC000619507115 567460969 /nfs/dbraw/zinc/46/09/69/567460969.db2.gz DWMBLOAQNCMNLM-UHFFFAOYSA-N 0 2 380.447 3.429 10 0 GGAELN O=C(N[C@@H](CO)c1ccc(Br)cc1)c1cc(F)c(O)c(Cl)c1 ZINC000436860268 567461647 /nfs/dbraw/zinc/46/16/47/567461647.db2.gz NKTSLFCISCGNNF-ZDUSSCGKSA-N 0 2 388.620 3.411 10 0 GGAELN Cc1nc(NC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2O)cs1 ZINC000436896321 567464059 /nfs/dbraw/zinc/46/40/59/567464059.db2.gz SARYCQGVYQKAMK-UHFFFAOYSA-N 0 2 395.487 3.272 10 0 GGAELN COc1ccc(S(=O)(=O)Nc2cnc(CC3CC3)nc2)c(Br)c1 ZINC000551037486 567473702 /nfs/dbraw/zinc/47/37/02/567473702.db2.gz QJYREIFDUUKTHZ-UHFFFAOYSA-N 0 2 398.282 3.001 10 0 GGAELN COc1cccc(-c2nsc(NS(=O)(=O)c3cc(Cl)ccc3F)n2)c1 ZINC000551019605 567473792 /nfs/dbraw/zinc/47/37/92/567473792.db2.gz OQYJTBSXWHGJOD-UHFFFAOYSA-N 0 2 399.856 3.229 10 0 GGAELN CC(C)Oc1ccc(NS(=O)(=O)c2c(F)cccc2Cl)cc1C(N)=O ZINC000478708832 567477169 /nfs/dbraw/zinc/47/71/69/567477169.db2.gz GUUNMIDGIJKOBF-UHFFFAOYSA-N 0 2 386.832 3.166 10 0 GGAELN O=C(N=c1ccc(C2CC2)n[nH]1)NCc1ccc(Br)c(F)c1F ZINC000529021233 567477878 /nfs/dbraw/zinc/47/78/78/567477878.db2.gz NTPPCANQVQMMII-UHFFFAOYSA-N 0 2 383.196 3.138 10 0 GGAELN COC(=O)c1cccc(Cl)c1S(=O)(=O)Nc1ccc2c(c1)CCCO2 ZINC000551107508 567478317 /nfs/dbraw/zinc/47/83/17/567478317.db2.gz TYMWLVCBKXBLIJ-UHFFFAOYSA-N 0 2 381.837 3.252 10 0 GGAELN C[C@@H](CC(F)(F)F)C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000457621000 567478911 /nfs/dbraw/zinc/47/89/11/567478911.db2.gz SDCCKJHPNRBGKJ-VIFPVBQESA-N 0 2 393.412 3.471 10 0 GGAELN O=C(N=c1nc(-c2ccsc2)[nH]s1)N1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000570407218 567481429 /nfs/dbraw/zinc/48/14/29/567481429.db2.gz IJVBSJXLNIRLJS-BFHYXJOUSA-N 0 2 378.523 3.236 10 0 GGAELN O=C(N=c1nc(-c2ccsc2)[nH]s1)N1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000570407219 567482346 /nfs/dbraw/zinc/48/23/46/567482346.db2.gz IJVBSJXLNIRLJS-MCIONIFRSA-N 0 2 378.523 3.236 10 0 GGAELN CC(C)[C@@H](NC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1)C1CC1 ZINC000620044023 567491545 /nfs/dbraw/zinc/49/15/45/567491545.db2.gz ZEYSXFHAQVNWHG-OAHLLOKOSA-N 0 2 379.507 3.108 10 0 GGAELN CC(C)[C@H](NC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1)C1CC1 ZINC000620044022 567491591 /nfs/dbraw/zinc/49/15/91/567491591.db2.gz ZEYSXFHAQVNWHG-HNNXBMFYSA-N 0 2 379.507 3.108 10 0 GGAELN COC(=O)c1ccc(C)c(S(=O)(=O)Nc2cc(Cl)c(Cl)cn2)c1 ZINC000437337331 567493940 /nfs/dbraw/zinc/49/39/40/567493940.db2.gz NMAZVCRNKLWTEV-UHFFFAOYSA-N 0 2 375.233 3.284 10 0 GGAELN CCOC(=O)c1sc(NS(=O)(=O)c2ccc3ncsc3c2)nc1C ZINC000479070838 567500560 /nfs/dbraw/zinc/50/05/60/567500560.db2.gz QUJIFQQYFRXATN-UHFFFAOYSA-N 0 2 383.476 3.039 10 0 GGAELN O=S(=O)(Nc1cc(F)ccc1SCC(F)F)c1cnc2n1CCC2 ZINC000437680129 567505002 /nfs/dbraw/zinc/50/50/02/567505002.db2.gz RRMWELKDCLHOPI-UHFFFAOYSA-N 0 2 377.413 3.126 10 0 GGAELN COC(=O)c1ccc(C)c(S(=O)(=O)Nc2nnc(CCC(C)C)s2)c1 ZINC000594727112 567505018 /nfs/dbraw/zinc/50/50/18/567505018.db2.gz XPKIBTGZGHRWTM-UHFFFAOYSA-N 0 2 383.495 3.023 10 0 GGAELN O=S(=O)(Nc1ccc2[nH]nnc2c1)c1cccc(Br)c1Cl ZINC000551470394 567508504 /nfs/dbraw/zinc/50/85/04/567508504.db2.gz QGXSPFQUXOGUAQ-UHFFFAOYSA-N 0 2 387.646 3.175 10 0 GGAELN O=S(=O)(Nc1ccc2n[nH]nc2c1)c1cccc(Br)c1Cl ZINC000551470394 567508511 /nfs/dbraw/zinc/50/85/11/567508511.db2.gz QGXSPFQUXOGUAQ-UHFFFAOYSA-N 0 2 387.646 3.175 10 0 GGAELN O=S(=O)(Nc1ccc2nn[nH]c2c1)c1cccc(Br)c1Cl ZINC000551470394 567508517 /nfs/dbraw/zinc/50/85/17/567508517.db2.gz QGXSPFQUXOGUAQ-UHFFFAOYSA-N 0 2 387.646 3.175 10 0 GGAELN Cc1c(C(F)(F)F)nn(C)c1NS(=O)(=O)c1ccc2ncsc2c1 ZINC000479155789 567509761 /nfs/dbraw/zinc/50/97/61/567509761.db2.gz DWBVYBKTEPBPCZ-UHFFFAOYSA-N 0 2 376.385 3.158 10 0 GGAELN O=S(=O)(Nc1nnc(CC(F)(F)F)s1)c1ccc2ncsc2c1 ZINC000479156354 567510054 /nfs/dbraw/zinc/51/00/54/567510054.db2.gz XCIZAUHVVBTHJF-UHFFFAOYSA-N 0 2 380.398 3.053 10 0 GGAELN O=C(N=c1ccc(-c2ccc(Br)s2)n[nH]1)N1CC(C2CC2)C1 ZINC000643484818 567511556 /nfs/dbraw/zinc/51/15/56/567511556.db2.gz AISBFYOJKZHTLD-UHFFFAOYSA-N 0 2 379.283 3.263 10 0 GGAELN CC(=O)Nc1cc(F)c(S(=O)(=O)Nc2cn(C)nc2C(C)C)cc1Cl ZINC000479277642 567520044 /nfs/dbraw/zinc/52/00/44/567520044.db2.gz ITFFJINHLJOJLV-UHFFFAOYSA-N 0 2 388.852 3.095 10 0 GGAELN Cc1cccc(C(=O)N=c2nc(C3(C)CC3)[nH]s2)c1I ZINC000529702384 567541635 /nfs/dbraw/zinc/54/16/35/567541635.db2.gz DBFZVYUXRJKWFQ-UHFFFAOYSA-N 0 2 399.257 3.177 10 0 GGAELN OC[C@@H](CNc1nc(C(F)(F)F)ns1)Cc1ccc(C(F)(F)F)cc1 ZINC000571189703 567543726 /nfs/dbraw/zinc/54/37/26/567543726.db2.gz UUXFJGYTSCIASE-SECBINFHSA-N 0 2 385.333 3.261 10 0 GGAELN CC1(c2nc(=NC(=O)C3(c4cccc(Br)c4)CC3)s[nH]2)CC1 ZINC000529704787 567543745 /nfs/dbraw/zinc/54/37/45/567543745.db2.gz UZRPAVNACIAWGC-UHFFFAOYSA-N 0 2 378.295 3.444 10 0 GGAELN CCCCOc1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)nc2)cn1 ZINC000479546079 567543775 /nfs/dbraw/zinc/54/37/75/567543775.db2.gz VCFGGDPAHFRRKC-UHFFFAOYSA-N 0 2 375.372 3.475 10 0 GGAELN COc1ccc(Br)cc1S(=O)(=O)Nc1cnn(CC(C)C)c1 ZINC000438770582 567543760 /nfs/dbraw/zinc/54/37/60/567543760.db2.gz KPCNNMXKXFQQJS-UHFFFAOYSA-N 0 2 388.287 3.111 10 0 GGAELN Cc1cc(S(=O)(=O)Nc2cn(C)nc2C2CC2)c(F)cc1Br ZINC000571264562 567548865 /nfs/dbraw/zinc/54/88/65/567548865.db2.gz MXAOGPNGUJYVJR-UHFFFAOYSA-N 0 2 388.262 3.308 10 0 GGAELN CCc1ncc(S(=O)(=O)[N-]c2nc3c(s2)C[N@@H+](C(C)(C)C)CC3)s1 ZINC000571431728 567562264 /nfs/dbraw/zinc/56/22/64/567562264.db2.gz ORDFPBUIWUQJAF-UHFFFAOYSA-N 0 2 386.568 3.119 10 0 GGAELN CCc1ncc(S(=O)(=O)[N-]c2nc3c(s2)C[N@H+](C(C)(C)C)CC3)s1 ZINC000571431728 567562267 /nfs/dbraw/zinc/56/22/67/567562267.db2.gz ORDFPBUIWUQJAF-UHFFFAOYSA-N 0 2 386.568 3.119 10 0 GGAELN COc1cc(F)c(F)cc1NS(=O)(=O)C[C@@H](OC)c1ccc(F)cc1 ZINC000530137001 567573336 /nfs/dbraw/zinc/57/33/36/567573336.db2.gz AXKTZMORANHLMQ-MRXNPFEDSA-N 0 2 375.368 3.242 10 0 GGAELN CC(=O)N1CCc2cc(S(=O)(=O)Nc3nc(C4CC4)cs3)c(Cl)cc21 ZINC000530152826 567575901 /nfs/dbraw/zinc/57/59/01/567575901.db2.gz KWEDJALADGJHHY-UHFFFAOYSA-N 0 2 397.909 3.384 10 0 GGAELN O=C(Cc1cccc(O)c1)Nc1nc(-c2ccc(Br)cc2F)n[nH]1 ZINC000439248469 567576097 /nfs/dbraw/zinc/57/60/97/567576097.db2.gz QQIZLBYGQYAEBE-UHFFFAOYSA-N 0 2 391.200 3.260 10 0 GGAELN CCn1nc(C)cc1NS(=O)(=O)c1cc(Br)c(C)cc1OC ZINC000530158352 567578229 /nfs/dbraw/zinc/57/82/29/567578229.db2.gz XFJBKUBLTGFJJG-UHFFFAOYSA-N 0 2 388.287 3.092 10 0 GGAELN CCOc1ccc(S(=O)(=O)Nc2cc(C)nn2CC)cc1Br ZINC000530157736 567578244 /nfs/dbraw/zinc/57/82/44/567578244.db2.gz OAIWWZVHMROFHI-UHFFFAOYSA-N 0 2 388.287 3.173 10 0 GGAELN CCn1nc(C)cc1NS(=O)(=O)c1c(Cl)cccc1Br ZINC000530158700 567578440 /nfs/dbraw/zinc/57/84/40/567578440.db2.gz YQYFZUVKIBBYJK-UHFFFAOYSA-N 0 2 378.679 3.428 10 0 GGAELN CCn1nc(C)cc1NS(=O)(=O)c1ccc(Br)cc1Cl ZINC000530157780 567578653 /nfs/dbraw/zinc/57/86/53/567578653.db2.gz PATHJJGOIGKNFC-UHFFFAOYSA-N 0 2 378.679 3.428 10 0 GGAELN CCc1ccncc1NS(=O)(=O)c1cc2c(cc1Cl)N(C(C)=O)CC2 ZINC000530156728 567578802 /nfs/dbraw/zinc/57/88/02/567578802.db2.gz LDVXHLQSKXMHCI-UHFFFAOYSA-N 0 2 379.869 3.007 10 0 GGAELN O=C(N[C@H]1CC12CC2)c1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000644792831 567579000 /nfs/dbraw/zinc/57/90/00/567579000.db2.gz PLBSTXZREBMYEB-LBPRGKRZSA-N 0 2 382.894 3.485 10 0 GGAELN COc1ccc(C[N@@H+]2CCc3occc3[C@H]2C(=O)[O-])c(Br)c1OC ZINC000530166816 567579742 /nfs/dbraw/zinc/57/97/42/567579742.db2.gz QVIGKTGINUTVDB-HNNXBMFYSA-N 0 2 396.237 3.243 10 0 GGAELN COc1ccc(C[N@H+]2CCc3occc3[C@H]2C(=O)[O-])c(Br)c1OC ZINC000530166816 567579746 /nfs/dbraw/zinc/57/97/46/567579746.db2.gz QVIGKTGINUTVDB-HNNXBMFYSA-N 0 2 396.237 3.243 10 0 GGAELN O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000621394412 567582683 /nfs/dbraw/zinc/58/26/83/567582683.db2.gz DAQSWUHRGHMEKY-DFBGVHRSSA-N 0 2 377.491 3.319 10 0 GGAELN Cc1ccsc1-c1nc(=NC(=O)N2CCC[C@@H]2[C@H]2CCC[C@H]2O)s[nH]1 ZINC000571754738 567586214 /nfs/dbraw/zinc/58/62/14/567586214.db2.gz VCRXBHRRXRRUMF-JHJVBQTASA-N 0 2 378.523 3.154 10 0 GGAELN Cc1ccsc1-c1nc(=NC(=O)N2CCC[C@@H]2[C@@H]2CCC[C@H]2O)s[nH]1 ZINC000571754744 567586504 /nfs/dbraw/zinc/58/65/04/567586504.db2.gz VCRXBHRRXRRUMF-YNEHKIRRSA-N 0 2 378.523 3.154 10 0 GGAELN O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)[C@@H]1CCCC12CC2 ZINC000530261288 567587705 /nfs/dbraw/zinc/58/77/05/567587705.db2.gz JSYDMJXIGXMPBR-AWEZNQCLSA-N 0 2 377.491 3.463 10 0 GGAELN Cc1nn(C)c(C)c1NS(=O)(=O)c1cc(Br)c(F)cc1C ZINC000480223508 567590540 /nfs/dbraw/zinc/59/05/40/567590540.db2.gz XRDXSHKVVDJTRB-UHFFFAOYSA-N 0 2 376.251 3.048 10 0 GGAELN Clc1ccc(N2CC[C@@H](CN=c3[nH]nc(C4CCOCC4)s3)C2)cc1 ZINC000645034225 567600665 /nfs/dbraw/zinc/60/06/65/567600665.db2.gz ZGZXHRFTFCPMOK-ZDUSSCGKSA-N 0 2 378.929 3.446 10 0 GGAELN Cc1cc(NS(=O)(=O)c2cc(C)c(Cl)s2)n(C2CCOCC2)n1 ZINC000530440474 567602263 /nfs/dbraw/zinc/60/22/63/567602263.db2.gz SWOSCAXRMUSMLG-UHFFFAOYSA-N 0 2 375.903 3.367 10 0 GGAELN CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)OC)c(Cl)c2)nc1C ZINC000596050590 567605369 /nfs/dbraw/zinc/60/53/69/567605369.db2.gz IJTUGPNJIQPMPB-UHFFFAOYSA-N 0 2 384.841 3.030 10 0 GGAELN COc1ccc2nc(NS(=O)(=O)c3ccc4c(c3)N(C)CC4)sc2c1 ZINC000439870655 567606568 /nfs/dbraw/zinc/60/65/68/567606568.db2.gz HHUFQXYRWUQFGL-UHFFFAOYSA-N 0 2 375.475 3.098 10 0 GGAELN C[C@H](OCc1nc(-c2cc(F)c(O)c(Br)c2)no1)c1nccn1C ZINC000621808857 567613283 /nfs/dbraw/zinc/61/32/83/567613283.db2.gz ZHWSWGGCHBIPBT-QMMMGPOBSA-N 0 2 397.204 3.355 10 0 GGAELN CO[C@@H]1CC[C@H](C(=O)Nc2nc(-c3ccc(Br)cc3F)n[nH]2)C1 ZINC000621862350 567616281 /nfs/dbraw/zinc/61/62/81/567616281.db2.gz GLUZYHASIJYVRY-WCBMZHEXSA-N 0 2 383.221 3.127 10 0 GGAELN CO[C@@H](C(=O)Nc1nc(-c2ccc(Br)cc2F)n[nH]1)C1CCC1 ZINC000621862663 567616783 /nfs/dbraw/zinc/61/67/83/567616783.db2.gz SVPJFQAGCCWMPA-GFCCVEGCSA-N 0 2 383.221 3.127 10 0 GGAELN Cc1cc(NS(=O)(=O)c2c(Cl)ccc(F)c2F)ccc1OCCO ZINC000572228496 567624143 /nfs/dbraw/zinc/62/41/43/567624143.db2.gz AFQUKZGMMMAOQQ-UHFFFAOYSA-N 0 2 377.796 3.099 10 0 GGAELN O=C(CC(F)(F)F)N1CCC(Nc2nc(C3CCCCC3)ns2)CC1 ZINC000572270914 567626772 /nfs/dbraw/zinc/62/67/72/567626772.db2.gz DCWDZXHNAZDUQX-UHFFFAOYSA-N 0 2 376.448 3.363 10 0 GGAELN O=C(Cc1ccc(NS(=O)(=O)c2cccs2)cc1)NC1(C(F)F)CC1 ZINC000506589895 567632350 /nfs/dbraw/zinc/63/23/50/567632350.db2.gz HHEKSDQHXFHBAG-UHFFFAOYSA-N 0 2 386.445 3.005 10 0 GGAELN C[C@H]1CCCc2nc(S(=O)(=O)Nc3nnc(-c4ccc(Cl)s4)o3)cn21 ZINC000622043032 567633535 /nfs/dbraw/zinc/63/35/35/567633535.db2.gz PLLKPZFCOZOZOQ-QMMMGPOBSA-N 0 2 399.885 3.346 10 0 GGAELN CCCc1cc(NS(=O)(=O)c2c(Cl)cc(Cl)cc2C(=O)OC)[nH]n1 ZINC000506821561 567644663 /nfs/dbraw/zinc/64/46/63/567644663.db2.gz MVMJSDIJWXUZNP-UHFFFAOYSA-N 0 2 392.264 3.256 10 0 GGAELN COCCc1cc(NS(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)n(C)n1 ZINC000506848882 567646152 /nfs/dbraw/zinc/64/61/52/567646152.db2.gz OCBYNEXYPBNUSK-UHFFFAOYSA-N 0 2 397.806 3.082 10 0 GGAELN COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1cccnc1C ZINC000506833197 567646360 /nfs/dbraw/zinc/64/63/60/567646360.db2.gz DQBRZVQMKBJTQB-UHFFFAOYSA-N 0 2 375.233 3.284 10 0 GGAELN CCOC(=O)c1sc(NS(=O)(=O)c2ccc3c(c2)N(C)CC3)cc1C ZINC000531237665 567648030 /nfs/dbraw/zinc/64/80/30/567648030.db2.gz PFYSJGMMPQNXCF-UHFFFAOYSA-N 0 2 380.491 3.026 10 0 GGAELN O=S(=O)(CCC[C@H]1CCOC1)N[C@@H](CCc1ccccc1)C(F)(F)F ZINC000645642689 567650959 /nfs/dbraw/zinc/65/09/59/567650959.db2.gz KNCIJIMUSDILFD-HOTGVXAUSA-N 0 2 379.444 3.286 10 0 GGAELN COc1ccc([C@H](NS(=O)(=O)CCC[C@H]2CCOC2)C(F)(F)F)cc1 ZINC000645646652 567651619 /nfs/dbraw/zinc/65/16/19/567651619.db2.gz LWKZGNBYAKQPCT-WFASDCNBSA-N 0 2 381.416 3.035 10 0 GGAELN COC(=O)c1ccc(C(F)(F)F)cc1NS(=O)(=O)c1cncc(Cl)c1 ZINC000506995432 567652771 /nfs/dbraw/zinc/65/27/71/567652771.db2.gz SMYUMTQARRCORZ-UHFFFAOYSA-N 0 2 394.758 3.341 10 0 GGAELN CO[C@H](C(=O)N=c1ccc(-c2ccc(Br)s2)n[nH]1)C1CCC1 ZINC000622858072 567661022 /nfs/dbraw/zinc/66/10/22/567661022.db2.gz AEQDMEXHIFTHMO-AWEZNQCLSA-N 0 2 382.283 3.143 10 0 GGAELN COC(=O)c1ccc(S(=O)(=O)Nc2cccnc2OC(C)C)cc1Cl ZINC000441317365 567661485 /nfs/dbraw/zinc/66/14/85/567661485.db2.gz XBQLEZYTXGXXIR-UHFFFAOYSA-N 0 2 384.841 3.110 10 0 GGAELN CO[C@@H]1CC[C@@H](C(=O)N=c2ccc(-c3ccc(Br)s3)n[nH]2)C1 ZINC000622858352 567661790 /nfs/dbraw/zinc/66/17/90/567661790.db2.gz KVHZCMGVAPKMGR-NXEZZACHSA-N 0 2 382.283 3.143 10 0 GGAELN Cc1ccsc1-c1nc(=NC(=O)C2(C(F)(F)F)CCOCC2)s[nH]1 ZINC000622846839 567661803 /nfs/dbraw/zinc/66/18/03/567661803.db2.gz ZMXCDSAGLXIRBL-UHFFFAOYSA-N 0 2 377.413 3.295 10 0 GGAELN CC1(C)CC(NC(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)C1 ZINC000666261621 567662069 /nfs/dbraw/zinc/66/20/69/567662069.db2.gz RNQBSKQJTWGBKW-UHFFFAOYSA-N 0 2 380.495 3.254 10 0 GGAELN O=C(N=c1nc(-c2ccsc2)[nH]s1)c1cnnn1-c1ccccc1Cl ZINC000596898385 567662475 /nfs/dbraw/zinc/66/24/75/567662475.db2.gz RSUPLPPXPBZXDM-UHFFFAOYSA-N 0 2 388.865 3.175 10 0 GGAELN O=C(COc1ccc(Br)cc1)N=c1nc(-c2ccsc2)[nH]s1 ZINC000596904458 567663642 /nfs/dbraw/zinc/66/36/42/567663642.db2.gz DPSXLCOIXCBTLP-UHFFFAOYSA-N 0 2 396.291 3.469 10 0 GGAELN CC(=O)Nc1cc(F)c(S(=O)(=O)NCCC2(F)CCC2)c(F)c1Cl ZINC000553576560 567668417 /nfs/dbraw/zinc/66/84/17/567668417.db2.gz DVFYDSMRDTYMGM-UHFFFAOYSA-N 0 2 384.807 3.137 10 0 GGAELN CC(C)CCn1cc(C(=O)N=c2ccc(-c3ccc(Cl)s3)n[nH]2)nn1 ZINC000622929346 567668891 /nfs/dbraw/zinc/66/88/91/567668891.db2.gz NLGWXLISMROEKW-UHFFFAOYSA-N 0 2 376.873 3.170 10 0 GGAELN O=C(N=c1ccc(-c2ccc(Cl)s2)n[nH]1)[C@@H]1CCN(CC(F)(F)F)C1 ZINC000622929444 567669221 /nfs/dbraw/zinc/66/92/21/567669221.db2.gz QKVANYQGWZUBKH-SECBINFHSA-N 0 2 390.818 3.103 10 0 GGAELN CCO[C@@H]1C[C@@H](NC(=O)N=c2ccc(-c3ccc(Cl)s3)n[nH]2)[C@@H]1SC ZINC000597021851 567674596 /nfs/dbraw/zinc/67/45/96/567674596.db2.gz TUKPDNFBFOJAPB-HFAKWTLXSA-N 0 2 398.941 3.311 10 0 GGAELN CC1(C)CCN(C(=O)N=c2ccc(-c3ccc(Cl)s3)n[nH]2)CC[S@@]1=O ZINC000597022567 567674710 /nfs/dbraw/zinc/67/47/10/567674710.db2.gz WJAAMBQJNGSNEE-VWLOTQADSA-N 0 2 398.941 3.045 10 0 GGAELN C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1sccc1Br ZINC000531705948 567674932 /nfs/dbraw/zinc/67/49/32/567674932.db2.gz DZBFKBPPKHUTOO-GXTWGEPZSA-N 0 2 388.375 3.104 10 0 GGAELN CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@@H]2CC[C@H]3C[C@H]3C2)c(F)c1Cl ZINC000645873984 567676734 /nfs/dbraw/zinc/67/67/34/567676734.db2.gz NHNAMDDYUCUUDG-LPEHRKFASA-N 0 2 378.828 3.044 10 0 GGAELN COc1ccc(Br)cc1CC(=O)N=c1nc(C(C)(C)C)[nH]s1 ZINC000460169604 567676971 /nfs/dbraw/zinc/67/69/71/567676971.db2.gz XXAISTVLQABGHK-UHFFFAOYSA-N 0 2 384.299 3.210 10 0 GGAELN Cc1cc(C[C@@H](C)NC(=O)N=c2nc(-c3cccc(Cl)c3)[nH]s2)[nH]n1 ZINC000481476974 567680345 /nfs/dbraw/zinc/68/03/45/567680345.db2.gz JDMFHIUYFOTUPH-SECBINFHSA-N 0 2 376.873 3.065 10 0 GGAELN Cc1cc(C[C@@H](C)NC(=O)N=c2nc(-c3cccc(Cl)c3)[nH]s2)n[nH]1 ZINC000481476974 567680350 /nfs/dbraw/zinc/68/03/50/567680350.db2.gz JDMFHIUYFOTUPH-SECBINFHSA-N 0 2 376.873 3.065 10 0 GGAELN Cc1nsc(NC2CCN(C(=O)Nc3ccc(Br)cc3)CC2)n1 ZINC000623074344 567682887 /nfs/dbraw/zinc/68/28/87/567682887.db2.gz GYJRXZHGNCADHD-UHFFFAOYSA-N 0 2 396.314 3.139 10 0 GGAELN CCc1ccc(S(=O)(=O)Nc2cc(F)c(F)cc2N2CCOCC2)s1 ZINC000507633868 567691647 /nfs/dbraw/zinc/69/16/47/567691647.db2.gz FYYUJRIGGYUBBP-UHFFFAOYSA-N 0 2 388.461 3.226 10 0 GGAELN O=S(=O)([N-]c1c[nH+]c2c(Br)cccn12)c1c(F)cccc1F ZINC000460651864 567696984 /nfs/dbraw/zinc/69/69/84/567696984.db2.gz USCPVYKOKUUYNH-UHFFFAOYSA-N 0 2 388.193 3.176 10 0 GGAELN O=S(=O)([N-]c1c[nH+]c2c(Br)cccn12)c1ccc(F)cc1F ZINC000460647732 567697028 /nfs/dbraw/zinc/69/70/28/567697028.db2.gz IGLQESBEZUMYEB-UHFFFAOYSA-N 0 2 388.193 3.176 10 0 GGAELN O=S(=O)(Nc1cnc2c(Br)cccn12)c1ccc(F)cc1F ZINC000460647732 567697036 /nfs/dbraw/zinc/69/70/36/567697036.db2.gz IGLQESBEZUMYEB-UHFFFAOYSA-N 0 2 388.193 3.176 10 0 GGAELN O=S(=O)(Nc1ncc(C(F)(F)F)s1)c1ccc(Br)o1 ZINC000442601631 567697424 /nfs/dbraw/zinc/69/74/24/567697424.db2.gz UAXAYZOHSCAAKM-UHFFFAOYSA-N 0 2 377.163 3.318 10 0 GGAELN CCOc1cccc(S(=O)(=O)Nc2cnc3c(Br)cccn23)c1 ZINC000460651711 567697562 /nfs/dbraw/zinc/69/75/62/567697562.db2.gz VQWRRDJMGZBJTB-UHFFFAOYSA-N 0 2 396.266 3.296 10 0 GGAELN COc1cc(F)c(F)cc1NS(=O)(=O)c1cc2c(cc1Cl)OCCO2 ZINC000573376926 567708299 /nfs/dbraw/zinc/70/82/99/567708299.db2.gz QBOGMAKCYAANIU-UHFFFAOYSA-N 0 2 391.779 3.199 10 0 GGAELN COC(=O)c1ccc(S(=O)(=O)Nc2csc3ccccc23)c(OC)c1 ZINC000442820037 567709315 /nfs/dbraw/zinc/70/93/15/567709315.db2.gz ARBLDJADVNWBTP-UHFFFAOYSA-N 0 2 377.443 3.497 10 0 GGAELN Cc1c(C[S@](C)=O)cccc1NS(=O)(=O)c1cnccc1C(F)(F)F ZINC000442831875 567711504 /nfs/dbraw/zinc/71/15/04/567711504.db2.gz XJTODFMTXNNUKT-DEOSSOPVSA-N 0 2 392.424 3.088 10 0 GGAELN O=S(=O)(Nc1ccc2c(c1)OC(F)(F)O2)c1cnccc1C(F)(F)F ZINC000442828394 567711582 /nfs/dbraw/zinc/71/15/82/567711582.db2.gz RTAHLSNRKRIAMO-UHFFFAOYSA-N 0 2 382.266 3.223 10 0 GGAELN Cc1ccsc1-c1nc(=NC(=O)N2CC3(C[C@H]2C)CCOCC3)s[nH]1 ZINC000646363666 567712370 /nfs/dbraw/zinc/71/23/70/567712370.db2.gz VGGZMLZLFKQVJS-GFCCVEGCSA-N 0 2 378.523 3.420 10 0 GGAELN CN(C)c1ncc(NS(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)cn1 ZINC000507880894 567713129 /nfs/dbraw/zinc/71/31/29/567713129.db2.gz YPFOJQQFKCHUNX-UHFFFAOYSA-N 0 2 380.779 3.016 10 0 GGAELN COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1cc(O)cc(F)c1 ZINC000507932171 567717652 /nfs/dbraw/zinc/71/76/52/567717652.db2.gz BQVIINMMTQVDMM-UHFFFAOYSA-N 0 2 394.207 3.426 10 0 GGAELN O=C(N=c1ccc(-c2ccc(Br)s2)n[nH]1)N1CC[C@H]1C1CC1 ZINC000573538871 567720252 /nfs/dbraw/zinc/72/02/52/567720252.db2.gz GMLJEBHQPMHXPZ-NSHDSACASA-N 0 2 379.283 3.406 10 0 GGAELN Cc1n[nH]cc1-c1nnc(NS(=O)(=O)c2ccc(C(F)(F)F)s2)s1 ZINC000461109916 567721375 /nfs/dbraw/zinc/72/13/75/567721375.db2.gz PRMXWKIRDDDZON-UHFFFAOYSA-N 0 2 395.413 3.118 10 0 GGAELN CCOC1CC2(C1)CCN(C(=O)N=c1nc(-c3sccc3C)[nH]s1)C2 ZINC000554328942 567723336 /nfs/dbraw/zinc/72/33/36/567723336.db2.gz LRJGUILXCWODFA-UHFFFAOYSA-N 0 2 378.523 3.420 10 0 GGAELN Cc1cc(Cl)cnc1NS(=O)(=O)c1cc2c(cc1Cl)OCCO2 ZINC000461211603 567725191 /nfs/dbraw/zinc/72/51/91/567725191.db2.gz HZYIWRGAHIXEKM-UHFFFAOYSA-N 0 2 375.233 3.269 10 0 GGAELN COC(=O)c1ncc(NS(=O)(=O)c2c(F)cccc2Cl)cc1Cl ZINC000508075084 567726494 /nfs/dbraw/zinc/72/64/94/567726494.db2.gz VWUMENNXFJKKTL-UHFFFAOYSA-N 0 2 379.196 3.115 10 0 GGAELN COC(=O)c1ccc(S(=O)(=O)Nc2cc(F)c(F)cc2OC)c(Cl)c1 ZINC000573650501 567727522 /nfs/dbraw/zinc/72/75/22/567727522.db2.gz GAOQCQDJGWQJOH-UHFFFAOYSA-N 0 2 391.779 3.214 10 0 GGAELN O=C1CCN1c1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)s2)cc1 ZINC000461332859 567730187 /nfs/dbraw/zinc/73/01/87/567730187.db2.gz PZZKOCOTGRHMHF-UHFFFAOYSA-N 0 2 376.381 3.304 10 0 GGAELN Cc1cc2c(cc1S(=O)(=O)Nc1csc(-c3ccccn3)n1)OCO2 ZINC000508108561 567730801 /nfs/dbraw/zinc/73/08/01/567730801.db2.gz DQUWTEOOZQPRTH-UHFFFAOYSA-N 0 2 375.431 3.043 10 0 GGAELN COc1ccc(OC)c(S(=O)(=O)Nc2ncc(-c3cccnc3)s2)c1 ZINC000508133223 567733421 /nfs/dbraw/zinc/73/34/21/567733421.db2.gz PSIYCGGUGIIYOT-UHFFFAOYSA-N 0 2 377.447 3.023 10 0 GGAELN O=S(=O)(Nc1cc([C@H]2CCCO2)[nH]n1)c1ccc(F)cc1C(F)(F)F ZINC000573748914 567733705 /nfs/dbraw/zinc/73/37/05/567733705.db2.gz JJIZJHSJISWBLT-LLVKDONJSA-N 0 2 379.335 3.220 10 0 GGAELN CCCCCc1nnc(NS(=O)(=O)c2cnccc2C(F)(F)F)s1 ZINC000443128909 567734165 /nfs/dbraw/zinc/73/41/65/567734165.db2.gz DUHNHVVZGAOCMO-UHFFFAOYSA-N 0 2 380.417 3.485 10 0 GGAELN O=S(=O)(Nc1nnc(-c2ccc(F)cc2)o1)c1ccc2ncsc2c1 ZINC000508196022 567737025 /nfs/dbraw/zinc/73/70/25/567737025.db2.gz PWOYNLQFEOATED-UHFFFAOYSA-N 0 2 376.394 3.286 10 0 GGAELN Cc1ccsc1-c1nc(=NC(=O)NC[C@@H]2CCOC3(CCC3)C2)s[nH]1 ZINC000573918883 567745356 /nfs/dbraw/zinc/74/53/56/567745356.db2.gz MKLZRNAVAZCHCN-GFCCVEGCSA-N 0 2 378.523 3.468 10 0 GGAELN CCn1nccc1S(=O)(=O)Nc1ccc(OCC(F)(F)F)c(Cl)c1 ZINC000443419633 567756479 /nfs/dbraw/zinc/75/64/79/567756479.db2.gz WQCJQWBOFRMYJY-UHFFFAOYSA-N 0 2 383.779 3.298 10 0 GGAELN CO[C@H](CS(=O)(=O)Nc1ccc(Cl)cc1OC(F)F)C1CCOCC1 ZINC000647130177 567762887 /nfs/dbraw/zinc/76/28/87/567762887.db2.gz BVCDQXRATVYPMO-CQSZACIVSA-N 0 2 399.843 3.125 10 0 GGAELN COc1cc(Cl)c(Cl)cc1NS(=O)(=O)C[C@@H](OC)C1CCOCC1 ZINC000647131355 567763143 /nfs/dbraw/zinc/76/31/43/567763143.db2.gz PJLKGCORFBPRSM-OAHLLOKOSA-N 0 2 398.308 3.185 10 0 GGAELN C[C@@H]1CC[N@H+](Cc2ncc(Br)cc2Br)C[C@H]1C(=O)[O-] ZINC000647461757 567787261 /nfs/dbraw/zinc/78/72/61/567787261.db2.gz XKKJVKHUAHEZIG-PSASIEDQSA-N 0 2 392.091 3.149 10 0 GGAELN C[C@@H]1CC[N@@H+](Cc2ncc(Br)cc2Br)C[C@H]1C(=O)[O-] ZINC000647461757 567787266 /nfs/dbraw/zinc/78/72/66/567787266.db2.gz XKKJVKHUAHEZIG-PSASIEDQSA-N 0 2 392.091 3.149 10 0 GGAELN Cc1nn(C)c(NS(=O)(=O)c2cc(Br)cc3cccnc32)c1C ZINC000574313746 567771264 /nfs/dbraw/zinc/77/12/64/567771264.db2.gz VEFIVKWZLRUJGC-UHFFFAOYSA-N 0 2 395.282 3.148 10 0 GGAELN CCNC(=O)N1CCc2ccc(NS(=O)(=O)c3ccc(CC)s3)cc21 ZINC000462107206 567773573 /nfs/dbraw/zinc/77/35/73/567773573.db2.gz YHZICXOYRSCIOT-UHFFFAOYSA-N 0 2 379.507 3.203 10 0 GGAELN CCOc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)[nH]n2)cc1OCC ZINC000533549301 567774596 /nfs/dbraw/zinc/77/45/96/567774596.db2.gz LIQFJWXRGUSZEE-UHFFFAOYSA-N 0 2 379.360 3.027 10 0 GGAELN Cc1c(S(=O)(=O)Nc2ccccc2C(F)(F)F)coc1C(=O)N(C)C ZINC000647267238 567775477 /nfs/dbraw/zinc/77/54/77/567775477.db2.gz PSKUEZMHSUIZEW-UHFFFAOYSA-N 0 2 376.356 3.109 10 0 GGAELN CO[C@H](CS(=O)(=O)Nc1nc2c(s1)c(C)ccc2C)C1CCOCC1 ZINC000647265341 567775834 /nfs/dbraw/zinc/77/58/34/567775834.db2.gz YPIBWCFTUZOIFX-CQSZACIVSA-N 0 2 384.523 3.096 10 0 GGAELN COc1ncc(S(=O)(=O)Nc2nnc(CC3CCCCC3)o2)cc1Cl ZINC000647274719 567776614 /nfs/dbraw/zinc/77/66/14/567776614.db2.gz ISEOTFXCRXYUAN-UHFFFAOYSA-N 0 2 386.861 3.050 10 0 GGAELN COc1cc(Br)cc(S(=O)(=O)Nc2[nH]nc(C(C)C)c2C)c1 ZINC000647278715 567777374 /nfs/dbraw/zinc/77/73/74/567777374.db2.gz ABIIVRWGJSYEDJ-UHFFFAOYSA-N 0 2 388.287 3.413 10 0 GGAELN COc1ccc(Br)c(S(=O)(=O)Nc2[nH]nc(C(C)C)c2C)c1 ZINC000647278919 567777423 /nfs/dbraw/zinc/77/74/23/567777423.db2.gz VOUWDOLXWQCXGL-UHFFFAOYSA-N 0 2 388.287 3.413 10 0 GGAELN O=C([O-])C1(CNc2cc[nH+]c3cc(F)c(Br)cc23)CCOCC1 ZINC000647458034 567787013 /nfs/dbraw/zinc/78/70/13/567787013.db2.gz NUNHKOQDPNYPDW-UHFFFAOYSA-N 0 2 383.217 3.430 10 0 GGAELN Cc1cc(-c2nnc(NS(=O)(=O)c3ccc4ncsc4c3)o2)c(C)o1 ZINC000444059442 567787796 /nfs/dbraw/zinc/78/77/96/567787796.db2.gz UDHNBRZNVLNJDB-UHFFFAOYSA-N 0 2 376.419 3.357 10 0 GGAELN COc1cc(S(=O)(=O)Nc2ncc(C3CCOCC3)s2)ccc1Cl ZINC000574858679 567801355 /nfs/dbraw/zinc/80/13/55/567801355.db2.gz XRSWZUSZKYBLTF-UHFFFAOYSA-N 0 2 388.898 3.500 10 0 GGAELN C[C@@H]1CN(Cc2cc(Br)c(O)c(Br)c2)C[C@@H](C)C1O ZINC000668554303 567813662 /nfs/dbraw/zinc/81/36/62/567813662.db2.gz NGXIXICJRKMOKR-RKDXNWHRSA-N 0 2 393.119 3.366 10 0 GGAELN Cc1cnc2c(cccc2S(=O)(=O)Nc2ccccc2-c2nncn2C)c1 ZINC000047992056 570216755 /nfs/dbraw/zinc/21/67/55/570216755.db2.gz AXCNEFXTNMXOCQ-UHFFFAOYSA-N 0 2 379.445 3.140 10 0 GGAELN CCCCn1c(=O)c(C2=NN[C@H](c3ccccc3OCC)C2)c(O)[nH]c1=S ZINC000015834804 570272059 /nfs/dbraw/zinc/27/20/59/570272059.db2.gz LSLAGISZJOZDFY-ZDUSSCGKSA-N 0 2 388.493 3.249 10 0 GGAELN CCCCn1c(O)c(C2=NN[C@H](c3ccccc3OCC)C2)c(=O)[nH]c1=S ZINC000015834804 570272063 /nfs/dbraw/zinc/27/20/63/570272063.db2.gz LSLAGISZJOZDFY-ZDUSSCGKSA-N 0 2 388.493 3.249 10 0 GGAELN Cc1cc(NC(=O)c2c(C)[nH]n(-c3ccccc3)c2=O)n(Cc2ccccc2)n1 ZINC000114629118 570273808 /nfs/dbraw/zinc/27/38/08/570273808.db2.gz NOWUETBXOYADHK-HXUWFJFHSA-N 0 2 387.443 3.217 10 0 GGAELN CC(C)COc1ccc(-c2nnc(CCC(=O)N3CCC(C)CC3)c(=O)[nH]2)cc1 ZINC000034763934 570333030 /nfs/dbraw/zinc/33/30/30/570333030.db2.gz YUINOWUWLFJIOJ-UHFFFAOYSA-N 0 2 398.507 3.470 10 0 GGAELN CCOc1cccc(-c2nnc(CCC(=O)NCc3cccc(F)c3)c(=O)[nH]2)c1 ZINC000034764811 570333114 /nfs/dbraw/zinc/33/31/14/570333114.db2.gz HGXGFGPTIJASOA-UHFFFAOYSA-N 0 2 396.422 3.031 10 0 GGAELN CCCOc1cccc(-c2nnc(CCC(=O)NCc3ccccc3)c(=O)[nH]2)c1 ZINC000034765227 570333576 /nfs/dbraw/zinc/33/35/76/570333576.db2.gz IPSWSXKCAMWQAE-UHFFFAOYSA-N 0 2 392.459 3.282 10 0 GGAELN CCOc1ccc(Oc2ccc(NC(=O)CCn3[nH]c(=O)ccc3=O)cc2)cc1 ZINC000023123998 570344857 /nfs/dbraw/zinc/34/48/57/570344857.db2.gz CUTJCUAVSFBDGG-UHFFFAOYSA-N 0 2 395.415 3.169 10 0 GGAELN O=S(=O)(Nc1nc2ccccc2nc1N1CCCC1)c1ccc(F)c(F)c1 ZINC000006581581 570483602 /nfs/dbraw/zinc/48/36/02/570483602.db2.gz BZUVTTCFQOCQHR-UHFFFAOYSA-N 0 2 390.415 3.309 10 0 GGAELN O=C(NN1C(=O)NC2(CCCCC2)C1=O)c1cccnc1Sc1ccccc1 ZINC000006647559 570515488 /nfs/dbraw/zinc/51/54/88/570515488.db2.gz QUXBBRPHJWDHEY-UHFFFAOYSA-N 0 2 396.472 3.132 10 0 GGAELN CCCNC(=O)C1(c2ccc(NS(=O)(=O)c3ccccc3F)cc2)CC1 ZINC000033274879 570523677 /nfs/dbraw/zinc/52/36/77/570523677.db2.gz ZCBRRARFFAYCLD-UHFFFAOYSA-N 0 2 376.453 3.184 10 0 GGAELN COc1ccc(OC)c(NS(=O)(=O)c2c(C)nn(-c3ccccc3)c2C)c1 ZINC000005332465 570555744 /nfs/dbraw/zinc/55/57/44/570555744.db2.gz ZVRKHLNKRMLCRE-UHFFFAOYSA-N 0 2 387.461 3.307 10 0 GGAELN COc1cc(NS(=O)(=O)c2ccc(-c3ccno3)cc2OC)cc(OC)c1 ZINC000064979523 570624155 /nfs/dbraw/zinc/62/41/55/570624155.db2.gz GNOFWOZNZLSOGB-UHFFFAOYSA-N 0 2 390.417 3.168 10 0 GGAELN COc1ccc(NS(=O)(=O)c2c(C)nc3sc(C(C)C)nn32)cc1OC ZINC000065183827 570722486 /nfs/dbraw/zinc/72/24/86/570722486.db2.gz NFIKGCUKPHJUHG-UHFFFAOYSA-N 0 2 396.494 3.041 10 0 GGAELN CCc1ccc(NS(=O)(=O)c2cc3c(s2)CCN(C(=O)C2CC2)C3)cc1 ZINC000065196216 570728144 /nfs/dbraw/zinc/72/81/44/570728144.db2.gz AYHODLTZALGSNN-UHFFFAOYSA-N 0 2 390.530 3.406 10 0 GGAELN CCC(=O)N1CCc2sc(S(=O)(=O)Nc3ccc(OC)cc3C)cc2C1 ZINC000065196194 570728339 /nfs/dbraw/zinc/72/83/39/570728339.db2.gz MEESMQRQXFADJW-UHFFFAOYSA-N 0 2 394.518 3.161 10 0 GGAELN Cc1ccc(NS(=O)(=O)c2cc3c(s2)CCN(C(=O)C2CC2)C3)cc1F ZINC000065196234 570728349 /nfs/dbraw/zinc/72/83/49/570728349.db2.gz VGNYPLPOBDJVCU-UHFFFAOYSA-N 0 2 394.493 3.291 10 0 GGAELN Cc1cc(F)ccc1NS(=O)(=O)c1cc2c(s1)CCN(C(=O)C1CC1)C2 ZINC000065196239 570728449 /nfs/dbraw/zinc/72/84/49/570728449.db2.gz NRTRASASFSSEKJ-UHFFFAOYSA-N 0 2 394.493 3.291 10 0 GGAELN O=S(=O)(Nc1cccn2nc(C3CC3)nc12)c1cccc(C(F)(F)F)c1 ZINC000065284012 570780673 /nfs/dbraw/zinc/78/06/73/570780673.db2.gz FVWCBGGFABLGKE-UHFFFAOYSA-N 0 2 382.367 3.426 10 0 GGAELN COc1ccc(NC(=O)CCc2nnc(-c3cccc(C)c3)[nH]c2=O)cc1OC ZINC000034768722 570797311 /nfs/dbraw/zinc/79/73/11/570797311.db2.gz HNVSPNGLAIXNCA-UHFFFAOYSA-N 0 2 394.431 3.141 10 0 GGAELN COCCn1c(=O)c2ccc(C(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)cc2[nH]c1=S ZINC000004657993 570809299 /nfs/dbraw/zinc/80/92/99/570809299.db2.gz IXEZOTMWUCMYNV-WOSRLPQWSA-N 0 2 389.521 3.260 10 0 GGAELN CCCCn1c(=O)c(C2=NN[C@H](c3ccc(OCC)cc3)C2)c(O)[nH]c1=S ZINC000101763468 570833521 /nfs/dbraw/zinc/83/35/21/570833521.db2.gz VZAUKJJCDQHQJW-AWEZNQCLSA-N 0 2 388.493 3.249 10 0 GGAELN CCCCn1c(O)c(C2=NN[C@H](c3ccc(OCC)cc3)C2)c(=O)[nH]c1=S ZINC000101763468 570833523 /nfs/dbraw/zinc/83/35/23/570833523.db2.gz VZAUKJJCDQHQJW-AWEZNQCLSA-N 0 2 388.493 3.249 10 0 GGAELN Cc1cccc(N(Cc2nn3c(nc(C)cc3=O)[nH]2)C(=O)c2ccccc2F)c1 ZINC000101802249 570835335 /nfs/dbraw/zinc/83/53/35/570835335.db2.gz QJJLRSKPTFIPKD-UHFFFAOYSA-N 0 2 391.406 3.021 10 0 GGAELN CCn1c(C)cc(C(=O)CSc2nc(=O)cc(O)n2C2CCCC2)c1C ZINC000102689820 570857245 /nfs/dbraw/zinc/85/72/45/570857245.db2.gz DXYMBYZBYGWKSK-UHFFFAOYSA-N 0 2 375.494 3.477 10 0 GGAELN O=C([O-])C[C@H](Cc1c[nH+]c[nH]1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000675079821 570912179 /nfs/dbraw/zinc/91/21/79/570912179.db2.gz YAYSNUSQWOLPMU-AWEZNQCLSA-N 0 2 391.427 3.334 10 0 GGAELN O=C([O-])C[C@H](Cc1c[nH]c[nH+]1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000675079821 570912180 /nfs/dbraw/zinc/91/21/80/570912180.db2.gz YAYSNUSQWOLPMU-AWEZNQCLSA-N 0 2 391.427 3.334 10 0 GGAELN CCCn1cnc(S(=O)(=O)[N-]c2ccc(-c3cn4c([nH+]3)CCCC4)cc2)c1 ZINC000089960737 570921691 /nfs/dbraw/zinc/92/16/91/570921691.db2.gz SRLHLTXWRNASDI-UHFFFAOYSA-N 0 2 385.493 3.294 10 0 GGAELN Cc1ccc(C)c(S(=O)(=O)Nc2ccc3nnc(-c4ccccc4)n3n2)c1 ZINC000033277239 570952175 /nfs/dbraw/zinc/95/21/75/570952175.db2.gz BMGCLXCSZCIGTO-UHFFFAOYSA-N 0 2 379.445 3.209 10 0 GGAELN O=C([O-])Cn1cc[nH+]c1CNC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000725240557 570974535 /nfs/dbraw/zinc/97/45/35/570974535.db2.gz NPBDJDPGHIDOIK-UHFFFAOYSA-N 0 2 377.400 3.006 10 0 GGAELN COCCNC(=O)CCCCn1c(=O)c2sc3ccccc3c2[nH]c1=S ZINC000004793217 570992893 /nfs/dbraw/zinc/99/28/93/570992893.db2.gz NIKHQHZNFLBOHH-UHFFFAOYSA-N 0 2 391.518 3.207 10 0 GGAELN COc1ccc(NC(=O)CC2SC(N3CCC(C)CC3)=NC2=O)cc1Cl ZINC000055117561 1406889678 /nfs/dbraw/zinc/88/96/78/1406889678.db2.gz HFLGXTTWZRELQG-OAHLLOKOSA-N 0 2 395.912 3.407 10 0 GGAELN O=C(CCCn1c(=O)c2sccc2[nH]c1=S)N1CCc2ccccc2C1 ZINC000002925434 1398322205 /nfs/dbraw/zinc/32/22/05/1398322205.db2.gz NSVIYALECJPXPX-UHFFFAOYSA-N 0 2 385.514 3.486 10 0 GGAELN CCCCCNC(=O)c1ccc2c(c1)[nH]c(=S)n(CCCOCC)c2=O ZINC000002972154 1398323090 /nfs/dbraw/zinc/32/30/90/1398323090.db2.gz AVQIKIYVBZPFSU-UHFFFAOYSA-N 0 2 377.510 3.032 10 0 GGAELN COCCn1c(=O)c2ccc(C(=O)NC3CCCCCC3)cc2[nH]c1=S ZINC000003043551 1398325426 /nfs/dbraw/zinc/32/54/26/1398325426.db2.gz YVKQPLFKMRLEDI-UHFFFAOYSA-N 0 2 375.494 3.158 10 0 GGAELN Cc1cccc(NC(=O)c2ccc3c(c2)[nH]c(=S)n(C[C@@H]2CCCO2)c3=O)c1 ZINC000003631909 1398375324 /nfs/dbraw/zinc/37/53/24/1398375324.db2.gz SWZLYTSXSANWAW-INIZCTEOSA-N 0 2 395.484 3.425 10 0 GGAELN Cc1cccc(NC(=O)c2ccc3c(c2)[nH]c(=S)n(C[C@H]2CCCO2)c3=O)c1 ZINC000003631907 1398375350 /nfs/dbraw/zinc/37/53/50/1398375350.db2.gz SWZLYTSXSANWAW-MRXNPFEDSA-N 0 2 395.484 3.425 10 0 GGAELN CCOc1ccccc1NS(=O)(=O)c1c(C)[nH]c(C)c1C(=O)N1CCCC1 ZINC000009684259 1398863353 /nfs/dbraw/zinc/86/33/53/1398863353.db2.gz LLIQRRLDCLYCND-UHFFFAOYSA-N 0 2 391.493 3.067 10 0 GGAELN C/C=C\c1cc(C(=O)N(C)Cc2nc(=O)c3sccc3[nH]2)cc(OC)c1OC ZINC000096940591 1410338278 /nfs/dbraw/zinc/33/82/78/1410338278.db2.gz YQDRPBFLZTWGKG-WAYWQWQTSA-N 0 2 399.472 3.307 10 0 GGAELN COc1ccc(NS(=O)(=O)c2cnccc2Cl)cc1Br ZINC000115934847 1412816693 /nfs/dbraw/zinc/81/66/93/1412816693.db2.gz HNWHMNMSRQPQRE-UHFFFAOYSA-N 0 2 377.647 3.307 10 0 GGAELN CC[C@@H](C)[C@@H](NC(=O)c1cccc(Nc2nn[nH]n2)c1)c1nc2ccccc2[nH]1 ZINC001136294628 1428696478 /nfs/dbraw/zinc/69/64/78/1428696478.db2.gz HLBKYDQLVNTXMZ-SJKOYZFVSA-N 0 2 390.451 3.337 10 0 GGAELN COC(=O)c1sccc1S(=O)(=O)Nc1ncc(-c2ccccc2)s1 ZINC000119647244 1413515123 /nfs/dbraw/zinc/51/51/23/1413515123.db2.gz MBDPLMHSMAESJA-UHFFFAOYSA-N 0 2 380.472 3.459 10 0 GGAELN Cc1nnc(NS(=O)(=O)c2c(Cl)cc(Br)cc2Cl)o1 ZINC000127822537 1415857544 /nfs/dbraw/zinc/85/75/44/1415857544.db2.gz WVBRLMGIPFWFLZ-UHFFFAOYSA-N 0 2 387.042 3.248 10 0 GGAELN O=C(c1cccc(Nc2nn[nH]n2)c1)N1CCC(c2cccc(F)c2F)CC1 ZINC000907453901 1429197054 /nfs/dbraw/zinc/19/70/54/1429197054.db2.gz CLCCMVLWNSJCDJ-UHFFFAOYSA-N 0 2 384.390 3.241 10 0 GGAELN COc1ccc([C@@H]2CCCCCN2C(=O)c2c[nH]c3c(cnn3C)c2=O)cc1 ZINC000179400107 1429359948 /nfs/dbraw/zinc/35/99/48/1429359948.db2.gz KKLICTFCRUQBMN-SFHVURJKSA-N 0 2 380.448 3.440 10 0 GGAELN O=S(=O)(Nc1nc2c(s1)CCC2)c1ccc(Br)cc1F ZINC000162018293 1424809068 /nfs/dbraw/zinc/80/90/68/1424809068.db2.gz LNSKGZNCYBTDDG-UHFFFAOYSA-N 0 2 377.260 3.334 10 0 GGAELN O=C(c1cccc(Nc2nn[nH]n2)c1)N1CC[C@H](CSc2ccccc2)C1 ZINC000900876452 1425830956 /nfs/dbraw/zinc/83/09/56/1425830956.db2.gz SJSGXXWTFDEYHJ-AWEZNQCLSA-N 0 2 380.477 3.198 10 0 GGAELN CN(C(=O)c1cccc(Nc2nn[nH]n2)c1)[C@@H](CCc1ccccc1)C(F)F ZINC000913346715 1426110167 /nfs/dbraw/zinc/11/01/67/1426110167.db2.gz PZRMBZXTPGYNNG-INIZCTEOSA-N 0 2 386.406 3.282 10 0 GGAELN Cc1ccc(NC(=O)c2cccc(Nc3nn[nH]n3)c2)c(OC[C@@H]2CCCO2)c1 ZINC001136393748 1426381192 /nfs/dbraw/zinc/38/11/92/1426381192.db2.gz YAXQWPHUEPVFEN-INIZCTEOSA-N 0 2 394.435 3.062 10 0 GGAELN CC[C@@H](CNC(=O)c1cccc(Nc2nn[nH]n2)c1)Oc1cccc(Cl)c1 ZINC001137269839 1427288710 /nfs/dbraw/zinc/28/87/10/1427288710.db2.gz CFZBNLWQWUMOOH-HNNXBMFYSA-N 0 2 386.843 3.184 10 0 GGAELN CCN(C(=O)c1cccc(Nc2nn[nH]n2)c1)[C@H](C)Cc1ccc(OC)cc1 ZINC000900635707 1427409811 /nfs/dbraw/zinc/40/98/11/1427409811.db2.gz HFOLXRJHMQCXBK-CQSZACIVSA-N 0 2 380.452 3.045 10 0 GGAELN Cc1nn(C)c(C)c1S(=O)(=O)Nc1cc(C2CCC2)nn1-c1ccccc1 ZINC000186470257 1431428580 /nfs/dbraw/zinc/42/85/80/1431428580.db2.gz YUOHGMZVQYSFEB-UHFFFAOYSA-N 0 2 385.493 3.291 10 0 GGAELN CN(C[C@@H]1COc2ccccc2O1)C(=O)C1=NN(c2ccc(Cl)cc2)CC1=O ZINC000193685380 1433040459 /nfs/dbraw/zinc/04/04/59/1433040459.db2.gz BFXMDTNELAZWJE-OAHLLOKOSA-N 0 2 399.834 3.143 10 0 GGAELN Cc1ccc(S(=O)(=O)Nc2ccccc2N2C[C@H](C)O[C@@H](C)C2)c(Cl)n1 ZINC000193814262 1433065290 /nfs/dbraw/zinc/06/52/90/1433065290.db2.gz GSCRNRIWGFRUEZ-KBPBESRZSA-N 0 2 395.912 3.458 10 0 GGAELN C[C@@H](NC(=O)C1=NN(c2ccc(Cl)cc2)CC1=O)c1ccc2c(c1)CC(=O)N2 ZINC000193838958 1433070184 /nfs/dbraw/zinc/07/01/84/1433070184.db2.gz HCKWMZLHLRJMND-LLVKDONJSA-N 0 2 396.834 3.217 10 0 GGAELN C[C@@H](C[C@H](O)c1ccco1)NC(=O)C1=NN(c2ccc(Cl)cc2)CC1=O ZINC000194318434 1433160479 /nfs/dbraw/zinc/16/04/79/1433160479.db2.gz IFEIMGBDJWQFJV-FZMZJTMJSA-N 0 2 375.812 3.066 10 0 GGAELN C[C@H](C[C@H](O)c1ccco1)NC(=O)C1=NN(c2ccc(Cl)cc2)CC1=O ZINC000194318449 1433160486 /nfs/dbraw/zinc/16/04/86/1433160486.db2.gz IFEIMGBDJWQFJV-RISCZKNCSA-N 0 2 375.812 3.066 10 0 GGAELN C[C@@H](C[C@@H](O)c1ccco1)NC(=O)C1=NN(c2ccc(Cl)cc2)CC1=O ZINC000194318462 1433160527 /nfs/dbraw/zinc/16/05/27/1433160527.db2.gz IFEIMGBDJWQFJV-SMDDNHRTSA-N 0 2 375.812 3.066 10 0 GGAELN CC(C)C[C@@]1(CO)CCCN1C(=O)C1=NN(c2ccc(Cl)cc2)CC1=O ZINC000194590206 1433202486 /nfs/dbraw/zinc/20/24/86/1433202486.db2.gz BCEPHQHXOAVRNZ-LJQANCHMSA-N 0 2 377.872 3.245 10 0 GGAELN CC(C)c1ccc(O[C@H](C)CNC(=O)c2cccc(Nc3nn[nH]n3)c2)cc1 ZINC001140307753 1441479836 /nfs/dbraw/zinc/47/98/36/1441479836.db2.gz DDNXFZFOWBSTOD-CQSZACIVSA-N 0 2 380.452 3.264 10 0 GGAELN O=C(c1cccc(Nc2nn[nH]n2)c1)N1CCC(c2ccc(F)c(F)c2)CC1 ZINC000900578662 1443208340 /nfs/dbraw/zinc/20/83/40/1443208340.db2.gz GBSGJCCTIDKIMT-UHFFFAOYSA-N 0 2 384.390 3.241 10 0 GGAELN C[N@@H+]1CC[C@H](NC(=O)[C@H](C(=O)[O-])C2CCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000663044530 939850847 /nfs/dbraw/zinc/85/08/47/939850847.db2.gz AQDOJYKCWFWCTN-GVDBMIGSSA-N 0 2 382.863 3.232 10 0 GGAELN C[N@H+]1CC[C@H](NC(=O)[C@H](C(=O)[O-])C2CCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000663044530 939850849 /nfs/dbraw/zinc/85/08/49/939850849.db2.gz AQDOJYKCWFWCTN-GVDBMIGSSA-N 0 2 382.863 3.232 10 0 GGAELN C[N@@H+]1CC[C@H](NC(=O)[C@H](C(=O)[O-])C2CCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000663044529 939851044 /nfs/dbraw/zinc/85/10/44/939851044.db2.gz AQDOJYKCWFWCTN-BBWFWOEESA-N 0 2 382.863 3.232 10 0 GGAELN C[N@H+]1CC[C@H](NC(=O)[C@H](C(=O)[O-])C2CCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000663044529 939851045 /nfs/dbraw/zinc/85/10/45/939851045.db2.gz AQDOJYKCWFWCTN-BBWFWOEESA-N 0 2 382.863 3.232 10 0 GGAELN Cc1c(S(=O)(=O)Nc2ccc(N(C)C)nc2)cnn1-c1ccccc1Cl ZINC000225435307 222677442 /nfs/dbraw/zinc/67/74/42/222677442.db2.gz KTMHAWFTJAJLDV-UHFFFAOYSA-N 0 2 391.884 3.096 10 0 GGAELN CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)N3CCCC3)s2)cc1 ZINC000009748476 221091613 /nfs/dbraw/zinc/09/16/13/221091613.db2.gz SGGUXQKVVLDSAR-UHFFFAOYSA-N 0 2 380.491 3.184 10 0 GGAELN CCCn1nnnc1CSc1nnc(Cc2ccc(C(C)(C)C)cc2)c(=O)[nH]1 ZINC000012976497 221251319 /nfs/dbraw/zinc/25/13/19/221251319.db2.gz PHUNCAFPPJJODS-UHFFFAOYSA-N 0 2 399.524 3.154 10 0 GGAELN Cc1ccc([C@@H](C(=O)[O-])[NH+]2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 ZINC000012979555 221252162 /nfs/dbraw/zinc/25/21/62/221252162.db2.gz GJGCGOAUYTZPGQ-KRWDZBQOSA-N 0 2 379.382 3.357 10 0 GGAELN Cc1ccc(CNC(=O)Nc2ccc3nc(NS(C)(=O)=O)sc3c2)cc1 ZINC000013348807 221265822 /nfs/dbraw/zinc/26/58/22/221265822.db2.gz FTJHAOSQJRTRTB-UHFFFAOYSA-N 0 2 390.490 3.298 10 0 GGAELN CCc1ccccc1NC(=O)Nc1ccc2nc(NS(C)(=O)=O)sc2c1 ZINC000013348736 221265976 /nfs/dbraw/zinc/26/59/76/221265976.db2.gz GBGIADDVJBBPPP-UHFFFAOYSA-N 0 2 390.490 3.296 10 0 GGAELN COc1ccccc1NC(=O)Nc1ccc2sc(NS(C)(=O)=O)nc2c1 ZINC000013347394 221266120 /nfs/dbraw/zinc/26/61/20/221266120.db2.gz MQSBVUOWBXJSTD-UHFFFAOYSA-N 0 2 392.462 3.320 10 0 GGAELN CCCn1nc(-n2cnnc2)c(NS(=O)(=O)c2ccc(C(C)C)cc2)c1C ZINC000013365590 221266821 /nfs/dbraw/zinc/26/68/21/221266821.db2.gz JWWOLEGGOPANPQ-UHFFFAOYSA-N 0 2 388.497 3.106 10 0 GGAELN CC1CCC2(CC1)NC(=O)N(NC(=O)c1ccc(-c3ccc(F)cc3)o1)C2=O ZINC000014129333 221299431 /nfs/dbraw/zinc/29/94/31/221299431.db2.gz DTHHCXIQEVWKDP-UHFFFAOYSA-N 0 2 385.395 3.231 10 0 GGAELN COC(=O)c1c(=O)c2ccccc2[nH]c1SCC(=O)Nc1cccc(F)c1 ZINC000015731480 221342091 /nfs/dbraw/zinc/34/20/91/221342091.db2.gz IPVUVHDZOLQWRL-UHFFFAOYSA-N 0 2 386.404 3.185 10 0 GGAELN COC(=O)c1c(SCC(=O)Nc2ccc(OC)cc2)[nH]c2ccccc2c1=O ZINC000015731484 221342400 /nfs/dbraw/zinc/34/24/00/221342400.db2.gz IRCHSEMSBASEPK-UHFFFAOYSA-N 0 2 398.440 3.054 10 0 GGAELN Cc1ccc(C(=O)Nc2ccc3nc(NS(C)(=O)=O)sc3c2)cc1F ZINC000015862009 221349987 /nfs/dbraw/zinc/34/99/87/221349987.db2.gz OMLWECUDHHUAPA-UHFFFAOYSA-N 0 2 379.438 3.368 10 0 GGAELN CCC(=O)Nc1cc2sc(NS(=O)(=O)c3ccccc3)nc2c(OC)c1 ZINC000015862143 221350130 /nfs/dbraw/zinc/35/01/30/221350130.db2.gz SDMOOUXQGWIRFR-UHFFFAOYSA-N 0 2 391.474 3.454 10 0 GGAELN CCOC(=O)c1cccc(NS(=O)(=O)c2cc(-c3ccno3)oc2C)c1 ZINC000032971274 221759143 /nfs/dbraw/zinc/75/91/43/221759143.db2.gz HVXIWPBWLNTUGT-UHFFFAOYSA-N 0 2 376.390 3.221 10 0 GGAELN CC[C@@H](C)Oc1cccc(-c2nnc(CCC(=O)NC3CCCC3)c(=O)[nH]2)c1 ZINC000034765200 221804365 /nfs/dbraw/zinc/80/43/65/221804365.db2.gz YQOACSKAPXJNOT-CQSZACIVSA-N 0 2 384.480 3.413 10 0 GGAELN O=C(CCc1nnc(Cc2cccc(C(F)(F)F)c2)[nH]c1=O)N1CCCCC1 ZINC000034768426 221804696 /nfs/dbraw/zinc/80/46/96/221804696.db2.gz WJPHGWSWQGOXMY-UHFFFAOYSA-N 0 2 394.397 3.132 10 0 GGAELN COC(=O)c1cccc(NS(=O)(=O)c2c(C(C)C)nc3sc(C)cn32)c1 ZINC000065183542 222107567 /nfs/dbraw/zinc/10/75/67/222107567.db2.gz CIURSVBRSQOQHD-UHFFFAOYSA-N 0 2 393.490 3.415 10 0 GGAELN CCc1nn2c(nc(C)c2S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)s1 ZINC000065183773 222107575 /nfs/dbraw/zinc/10/75/75/222107575.db2.gz VJUUGRNJLSTLRO-UHFFFAOYSA-N 0 2 390.412 3.481 10 0 GGAELN Cc1nn2c(nc(C)c2S(=O)(=O)Nc2cccc(OC(F)(F)F)c2)s1 ZINC000065183648 222107817 /nfs/dbraw/zinc/10/78/17/222107817.db2.gz TWBWJSMVFXKWHQ-UHFFFAOYSA-N 0 2 392.384 3.107 10 0 GGAELN CCC(=O)N1CCc2sc(S(=O)(=O)Nc3ccccc3CC)cc2C1 ZINC000065196156 222109521 /nfs/dbraw/zinc/10/95/21/222109521.db2.gz QWODZBBUICLBNN-UHFFFAOYSA-N 0 2 378.519 3.406 10 0 GGAELN Cc1ccc(NS(=O)(=O)c2cc3c(s2)CCN(C(=O)C2CC2)C3)cc1C ZINC000065196228 222109672 /nfs/dbraw/zinc/10/96/72/222109672.db2.gz QYYUITUIVOYHBX-UHFFFAOYSA-N 0 2 390.530 3.460 10 0 GGAELN CCC(=O)N1CCc2sc(S(=O)(=O)Nc3cc(F)ccc3C)cc2C1 ZINC000065196188 222109988 /nfs/dbraw/zinc/10/99/88/222109988.db2.gz BYFOWUBVJJKJQD-UHFFFAOYSA-N 0 2 382.482 3.291 10 0 GGAELN CCC(=O)N1CCc2sc(S(=O)(=O)Nc3ccc(C)c(F)c3)cc2C1 ZINC000065196177 222110054 /nfs/dbraw/zinc/11/00/54/222110054.db2.gz DURSDAGJVRZVGJ-UHFFFAOYSA-N 0 2 382.482 3.291 10 0 GGAELN CCC(=O)N1CCc2sc(S(=O)(=O)Nc3cc(C)ccc3OC)cc2C1 ZINC000065196184 222110304 /nfs/dbraw/zinc/11/03/04/222110304.db2.gz MIJZXPBWMFAYTN-UHFFFAOYSA-N 0 2 394.518 3.161 10 0 GGAELN CCC(=O)N1CCc2sc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2C1 ZINC000065196149 222110413 /nfs/dbraw/zinc/11/04/13/222110413.db2.gz UPGLJPPZNUCUHU-UHFFFAOYSA-N 0 2 384.910 3.497 10 0 GGAELN Cc1ccc(C)c(NS(=O)(=O)c2ccc(CC(=O)N3CCCC3)s2)c1 ZINC000064919610 222088289 /nfs/dbraw/zinc/08/82/89/222088289.db2.gz PEXGDJAYBRZTGZ-UHFFFAOYSA-N 0 2 378.519 3.331 10 0 GGAELN CCc1cccc(NS(=O)(=O)c2ccc(CC(=O)N3CCCC3)s2)c1 ZINC000064919652 222088450 /nfs/dbraw/zinc/08/84/50/222088450.db2.gz VJFFHFBBKSYUPC-UHFFFAOYSA-N 0 2 378.519 3.276 10 0 GGAELN Cc1nn(-c2ccc(C)cc2)c(C)c1S(=O)(=O)Nc1ccc2c(c1)OCCO2 ZINC000064947033 222089023 /nfs/dbraw/zinc/08/90/23/222089023.db2.gz KJANVAFCNQGFHZ-UHFFFAOYSA-N 0 2 399.472 3.370 10 0 GGAELN COC(=O)c1ccc(NS(=O)(=O)c2c(C)nn(-c3ccc(C)cc3)c2C)cc1 ZINC000064947356 222089923 /nfs/dbraw/zinc/08/99/23/222089923.db2.gz PNNKDVWFEPSNRS-UHFFFAOYSA-N 0 2 399.472 3.385 10 0 GGAELN Cc1sc(Br)cc1S(=O)(=O)Nc1noc(-c2ccoc2)n1 ZINC000096004199 222369238 /nfs/dbraw/zinc/36/92/38/222369238.db2.gz TZRTVMRDNPVNRA-UHFFFAOYSA-N 0 2 390.240 3.263 10 0 GGAELN CCOc1ccccc1NS(=O)(=O)c1c(C)[nH]c(C)c1-c1nnc(C)o1 ZINC000096379569 222416334 /nfs/dbraw/zinc/41/63/34/222416334.db2.gz MEKASWAIBUVFDT-UHFFFAOYSA-N 0 2 376.438 3.189 10 0 GGAELN Oc1c(Br)cc(CN2CCO[C@@H](CCF)C2)cc1Br ZINC000628458965 566556762 /nfs/dbraw/zinc/55/67/62/566556762.db2.gz IMZRKNKCHWGQLA-JTQLQIEISA-N 0 2 397.082 3.478 10 0 GGAELN COc1ccc(Br)cc1S(=O)(=O)Nc1ccc(SC)cn1 ZINC000116603830 564213144 /nfs/dbraw/zinc/21/31/44/564213144.db2.gz QJVGQWBNCMUOKV-UHFFFAOYSA-N 0 2 389.296 3.375 10 0 GGAELN Cc1csc2nc(C)c(S(=O)(=O)Nc3cc(Cl)ccc3C)c(=O)n12 ZINC000006823683 564228246 /nfs/dbraw/zinc/22/82/46/564228246.db2.gz CKEGWRKVDKLXJK-UHFFFAOYSA-N 0 2 383.882 3.135 10 0 GGAELN Cc1csc2nc(C)c(S(=O)(=O)Nc3cccc(Cl)c3C)c(=O)n12 ZINC000006823654 564228315 /nfs/dbraw/zinc/22/83/15/564228315.db2.gz PPMZJPAAFJCGFE-UHFFFAOYSA-N 0 2 383.882 3.135 10 0 GGAELN CS(=O)(=O)c1ccccc1S(=O)(=O)Nc1ncc(-c2ccccc2)s1 ZINC000119646635 564280769 /nfs/dbraw/zinc/28/07/69/564280769.db2.gz DGGABBLCXWLVET-UHFFFAOYSA-N 0 2 394.499 3.014 10 0 GGAELN Cc1c(Cl)cccc1S(=O)(=O)Nc1ccn(CCc2ccncc2)n1 ZINC000119940717 564295862 /nfs/dbraw/zinc/29/58/62/564295862.db2.gz QBHOELRIQYRZAZ-UHFFFAOYSA-N 0 2 376.869 3.283 10 0 GGAELN CCc1cc(NC(=O)c2cc(Br)c(O)c(Br)c2)n[nH]1 ZINC000120023774 564300968 /nfs/dbraw/zinc/30/09/68/564300968.db2.gz JYPKKBQCBPSAEK-UHFFFAOYSA-N 0 2 389.047 3.455 10 0 GGAELN C[C@@H]1CC[C@H](C)CN1C(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000120099658 564304509 /nfs/dbraw/zinc/30/45/09/564304509.db2.gz DTNCYIDZEUTAGY-QWHCGFSZSA-N 0 2 379.507 3.205 10 0 GGAELN Cc1ccc(NS(=O)(=O)c2ccc(-c3ccc(=O)[nH]n3)s2)cc1Cl ZINC000020574728 564306829 /nfs/dbraw/zinc/30/68/29/564306829.db2.gz DKMUGVHQWLLHKU-UHFFFAOYSA-N 0 2 381.866 3.261 10 0 GGAELN Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)s1 ZINC000020574727 564306939 /nfs/dbraw/zinc/30/69/39/564306939.db2.gz PFRHPBGEJGQBFH-UHFFFAOYSA-N 0 2 381.866 3.261 10 0 GGAELN CCNC(=O)Nc1ccc2sc(NS(=O)(=O)c3ccccc3)nc2c1 ZINC000021364330 564309748 /nfs/dbraw/zinc/30/97/48/564309748.db2.gz JLULKLXXJPPXGG-UHFFFAOYSA-N 0 2 376.463 3.239 10 0 GGAELN CCc1ccc2nc(NS(=O)(=O)c3ccccc3S(C)(=O)=O)sc2c1 ZINC000120835304 564340119 /nfs/dbraw/zinc/34/01/19/564340119.db2.gz VZHRWADNIDGHCH-UHFFFAOYSA-N 0 2 396.515 3.063 10 0 GGAELN CCS(=O)(=O)c1ccc(S(=O)(=O)Nc2nc3c(cccc3C)s2)cc1 ZINC000121002661 564347972 /nfs/dbraw/zinc/34/79/72/564347972.db2.gz POZXTPTWWDLMIH-UHFFFAOYSA-N 0 2 396.515 3.199 10 0 GGAELN Cc1cnc2c(cccc2S(=O)(=O)Nc2ccc(C(N)=O)c(Cl)c2)c1 ZINC000031720915 564391992 /nfs/dbraw/zinc/39/19/92/564391992.db2.gz CIUFGAPYCAVSLB-UHFFFAOYSA-N 0 2 375.837 3.096 10 0 GGAELN CCCNC(=O)CSc1nnc(-c2cc(Cl)sc2Cl)c(=O)[nH]1 ZINC000032778459 564405572 /nfs/dbraw/zinc/40/55/72/564405572.db2.gz QXXMAMKXIIDAKM-UHFFFAOYSA-N 0 2 379.294 3.231 10 0 GGAELN COc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCCCC3)cs2)cc1 ZINC000045961593 564492347 /nfs/dbraw/zinc/49/23/47/564492347.db2.gz VUWBCQUXPZIIGD-UHFFFAOYSA-N 0 2 380.491 3.184 10 0 GGAELN O=C1CCCN1Cc1ccc(NS(=O)(=O)c2c(F)cccc2Cl)cc1 ZINC000125571958 564518343 /nfs/dbraw/zinc/51/83/43/564518343.db2.gz JVHFFGMEYWYJSL-UHFFFAOYSA-N 0 2 382.844 3.402 10 0 GGAELN COCCOc1ccc(NS(=O)(=O)c2c(F)cccc2Cl)cc1F ZINC000125694264 564523857 /nfs/dbraw/zinc/52/38/57/564523857.db2.gz BRBNYRKILNRZRH-UHFFFAOYSA-N 0 2 377.796 3.444 10 0 GGAELN NC(=O)CCSc1ccccc1NS(=O)(=O)c1c(F)cccc1Cl ZINC000125977489 564532765 /nfs/dbraw/zinc/53/27/65/564532765.db2.gz SOHVVCZCLHHUPV-UHFFFAOYSA-N 0 2 388.873 3.247 10 0 GGAELN COC(=O)c1cccc(NS(=O)(=O)c2sccc2Br)c1C ZINC000048440960 564538919 /nfs/dbraw/zinc/53/89/19/564538919.db2.gz IDWYXMIMBBRFKB-UHFFFAOYSA-N 0 2 390.280 3.406 10 0 GGAELN CC(C)(C)Cc1cc(NS(=O)(=O)c2cc3c(cc2Cl)OCCO3)[nH]n1 ZINC000126756264 564561206 /nfs/dbraw/zinc/56/12/06/564561206.db2.gz HKOMDOURILUJAJ-UHFFFAOYSA-N 0 2 385.873 3.224 10 0 GGAELN COc1ccc(Br)cc1S(=O)(=O)Nc1cc(C2CC2)nc(C)n1 ZINC000127486726 564585628 /nfs/dbraw/zinc/58/56/28/564585628.db2.gz LJEPFNREIAPCLA-UHFFFAOYSA-N 0 2 398.282 3.234 10 0 GGAELN Cn1cc(NS(=O)(=O)c2ccc(Br)cc2C(F)(F)F)cn1 ZINC000055588778 564625076 /nfs/dbraw/zinc/62/50/76/564625076.db2.gz GYBFLSBXDJOAIO-UHFFFAOYSA-N 0 2 384.177 3.002 10 0 GGAELN CCc1ccc(S(=O)(=O)Nc2ccc(N3C(=O)CCCC3=O)cc2)s1 ZINC000055589467 564625180 /nfs/dbraw/zinc/62/51/80/564625180.db2.gz VUKFOMNNDOLYLE-UHFFFAOYSA-N 0 2 378.475 3.155 10 0 GGAELN COCc1csc(NS(=O)(=O)c2ccc(Br)cc2C)n1 ZINC000128896262 564633049 /nfs/dbraw/zinc/63/30/49/564633049.db2.gz DWDMYMNXQWTTKK-UHFFFAOYSA-N 0 2 377.285 3.161 10 0 GGAELN COC(=O)c1ccc(S(=O)(=O)Nc2ncc(Br)cc2C)c(C)c1 ZINC000129588091 564653482 /nfs/dbraw/zinc/65/34/82/564653482.db2.gz RSEDUYIKLYNCGO-UHFFFAOYSA-N 0 2 399.266 3.048 10 0 GGAELN COCCc1cc(NS(=O)(=O)c2csc3ccc(Cl)cc23)n(C)n1 ZINC000129641196 564655253 /nfs/dbraw/zinc/65/52/53/564655253.db2.gz ZHFJJHISXKKADO-UHFFFAOYSA-N 0 2 385.898 3.278 10 0 GGAELN Cc1ccsc1-c1nc(=NC(=O)Nc2ccn(CC(F)(F)F)n2)s[nH]1 ZINC000487246538 564681072 /nfs/dbraw/zinc/68/10/72/564681072.db2.gz YIJVQYMXGDLJLU-UHFFFAOYSA-N 0 2 388.400 3.400 10 0 GGAELN COC(=O)c1ccc(S(=O)(=O)Nc2cc(F)c(F)c(F)c2)c(Cl)c1 ZINC000130455669 564682229 /nfs/dbraw/zinc/68/22/29/564682229.db2.gz OCSGJBKHHSSNDW-UHFFFAOYSA-N 0 2 379.743 3.345 10 0 GGAELN Cc1ncc(Cl)c(C(=O)Nc2nc(-c3ccccc3Br)n[nH]2)n1 ZINC000525648207 564704800 /nfs/dbraw/zinc/70/48/00/564704800.db2.gz WQBKZWXTNDRMLN-UHFFFAOYSA-N 0 2 393.632 3.238 10 0 GGAELN CC(C)Oc1ccc(NS(=O)(=O)c2cnn([C@H]3CCOC3)c2)cc1Cl ZINC000131887290 564727452 /nfs/dbraw/zinc/72/74/52/564727452.db2.gz PZNLSIUHAWQJDW-ZDUSSCGKSA-N 0 2 385.873 3.086 10 0 GGAELN CSc1ccc(Cl)cc1NS(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000064374886 564728506 /nfs/dbraw/zinc/72/85/06/564728506.db2.gz KERGBZNQDMUHKM-UHFFFAOYSA-N 0 2 391.923 3.266 10 0 GGAELN CCc1ccc(S(=O)(=O)Nc2cccc(C(=O)N3CCSCC3)c2)s1 ZINC000064478531 564730575 /nfs/dbraw/zinc/73/05/75/564730575.db2.gz VVRFFUGOMZVZJG-UHFFFAOYSA-N 0 2 396.559 3.300 10 0 GGAELN COc1ccc(F)cc1NS(=O)(=O)c1cc(Br)ccc1OC ZINC000132683192 564749776 /nfs/dbraw/zinc/74/97/76/564749776.db2.gz MUFGQUMZHHDMIV-UHFFFAOYSA-N 0 2 390.230 3.406 10 0 GGAELN Cc1cc(Br)ccc1NC(=O)CNC(=O)c1c(O)cc(F)cc1F ZINC000066041728 564753743 /nfs/dbraw/zinc/75/37/43/564753743.db2.gz DDJHDVDZELYBHI-UHFFFAOYSA-N 0 2 399.191 3.110 10 0 GGAELN Cc1cc(NS(=O)(=O)c2ccc(Br)cc2C(F)(F)F)n(C)n1 ZINC000066247862 564758855 /nfs/dbraw/zinc/75/88/55/564758855.db2.gz BPOGNTAOEKVJAK-UHFFFAOYSA-N 0 2 398.204 3.311 10 0 GGAELN Cc1nc(CN2CCCN(C(=O)c3cc(F)cc(Cl)c3O)CC2)cs1 ZINC000133261307 564768484 /nfs/dbraw/zinc/76/84/84/564768484.db2.gz WAFRGGWCORPGCL-UHFFFAOYSA-N 0 2 383.876 3.298 10 0 GGAELN O=S(=O)(Nc1cccc(-c2nc[nH]n2)c1)c1ccc(Br)cc1F ZINC000133394818 564772311 /nfs/dbraw/zinc/77/23/11/564772311.db2.gz RTGOPQUOZTYYES-UHFFFAOYSA-N 0 2 397.229 3.174 10 0 GGAELN Cc1nn(C)c(Cl)c1S(=O)(=O)Nc1ccccc1NCC(F)(F)F ZINC000067659752 564796829 /nfs/dbraw/zinc/79/68/29/564796829.db2.gz JKLSGVFURHGGLU-UHFFFAOYSA-N 0 2 382.795 3.157 10 0 GGAELN COc1ccc(-c2nnc(NS(=O)(=O)c3ccc(F)cc3C)s2)cc1 ZINC000135980532 564844186 /nfs/dbraw/zinc/84/41/86/564844186.db2.gz CJQTZVITPNRPMK-UHFFFAOYSA-N 0 2 379.438 3.462 10 0 GGAELN CS(=O)(=O)c1ccccc1S(=O)(=O)Nc1ccc(F)cc1C(F)(F)F ZINC000150824479 564892310 /nfs/dbraw/zinc/89/23/10/564892310.db2.gz DFPWQHASCXJSAG-UHFFFAOYSA-N 0 2 397.371 3.049 10 0 GGAELN CC(C)CC(=O)NCCc1ccc(S(=O)(=O)Nc2ccc(F)cc2)s1 ZINC000093906446 564892654 /nfs/dbraw/zinc/89/26/54/564892654.db2.gz TTYPJQXQHYFPJV-UHFFFAOYSA-N 0 2 384.498 3.393 10 0 GGAELN CCc1ccc(S(=O)(=O)Nc2ccc(-c3nc(C)cc(=O)[nH]3)cc2)s1 ZINC000102841741 564938265 /nfs/dbraw/zinc/93/82/65/564938265.db2.gz YQVIEDUMBPRFPS-UHFFFAOYSA-N 0 2 375.475 3.170 10 0 GGAELN COc1cccc(-c2nsc(NS(=O)(=O)c3ccc(F)cc3C)n2)c1 ZINC000152500436 564961474 /nfs/dbraw/zinc/96/14/74/564961474.db2.gz XGRALKJOVAASNN-UHFFFAOYSA-N 0 2 379.438 3.462 10 0 GGAELN CCNC(=O)COc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2O)cc1 ZINC000106457282 564983393 /nfs/dbraw/zinc/98/33/93/564983393.db2.gz HUXAIEWTYPVOHE-UHFFFAOYSA-N 0 2 383.231 3.466 10 0 GGAELN O=S(=O)(Nc1c[nH]nc1-c1ccccn1)c1ccc(F)cc1Br ZINC000153318750 564991197 /nfs/dbraw/zinc/99/11/97/564991197.db2.gz CGTKKXRKTUKYKW-UHFFFAOYSA-N 0 2 397.229 3.174 10 0 GGAELN Cc1nc(CN2CCN(C(=O)c3ccc(Cl)c(Cl)c3O)CC2)oc1C ZINC000106917230 564991495 /nfs/dbraw/zinc/99/14/95/564991495.db2.gz IXFHUWXIBAJIER-UHFFFAOYSA-N 0 2 384.263 3.262 10 0 GGAELN O=C(c1ccccc1)N1CCN(C(=O)c2ccc(Cl)c(Cl)c2O)CC1 ZINC000106901179 564991750 /nfs/dbraw/zinc/99/17/50/564991750.db2.gz ZANHBUHPBRGTPP-UHFFFAOYSA-N 0 2 379.243 3.297 10 0 GGAELN COC(=O)c1ccc(S(=O)(=O)N[C@H](c2ccc(Cl)cc2)C(F)(F)F)o1 ZINC000153479325 564997439 /nfs/dbraw/zinc/99/74/39/564997439.db2.gz HJAXDSIEXZLWHD-GFCCVEGCSA-N 0 2 397.758 3.302 10 0 GGAELN CCc1ccc(S(=O)(=O)Nc2ccc(OCc3noc(C)n3)cc2)s1 ZINC000108251176 565008614 /nfs/dbraw/zinc/00/86/14/565008614.db2.gz QHSXYKCIVIRSTC-UHFFFAOYSA-N 0 2 379.463 3.382 10 0 GGAELN Cc1nn(C)c(Cl)c1S(=O)(=O)Nc1ccc(N(C)C)cc1C(F)(F)F ZINC000109425266 565025301 /nfs/dbraw/zinc/02/53/01/565025301.db2.gz YHJWBHFTGOFFPR-UHFFFAOYSA-N 0 2 396.822 3.268 10 0 GGAELN Cc1nn(C)c(Cl)c1S(=O)(=O)Nc1cc(F)c(N2CCCC2)c(F)c1 ZINC000109425616 565025425 /nfs/dbraw/zinc/02/54/25/565025425.db2.gz WGNLRVYMEANCDP-UHFFFAOYSA-N 0 2 390.843 3.061 10 0 GGAELN CCc1ccc(S(=O)(=O)Nc2ccc(OCc3nc(C)no3)cc2)s1 ZINC000114313558 565073722 /nfs/dbraw/zinc/07/37/22/565073722.db2.gz YTDWKQHNWKFNLL-UHFFFAOYSA-N 0 2 379.463 3.382 10 0 GGAELN COCCc1cc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)n(C)n1 ZINC000156098619 565074996 /nfs/dbraw/zinc/07/49/96/565074996.db2.gz GUNPJNVILDHVSC-UHFFFAOYSA-N 0 2 397.806 3.082 10 0 GGAELN Cc1cnn(-c2ccncc2NS(=O)(=O)c2cc(C)c(F)cc2Cl)c1 ZINC000156302850 565079418 /nfs/dbraw/zinc/07/94/18/565079418.db2.gz YQZNVNAEIVFZIL-UHFFFAOYSA-N 0 2 380.832 3.477 10 0 GGAELN CCOc1cc(C(=O)N(C)C)ccc1NS(=O)(=O)c1ccc(CC)s1 ZINC000267478839 565119570 /nfs/dbraw/zinc/11/95/70/565119570.db2.gz SRMXBGCLPLYRBS-UHFFFAOYSA-N 0 2 382.507 3.212 10 0 GGAELN O=C(N[C@@H]1CCN(c2cccc(Cl)c2)C1=O)c1cc(F)c(O)c(Cl)c1 ZINC000184480463 565137106 /nfs/dbraw/zinc/13/71/06/565137106.db2.gz SCEHGTCNSGSAEF-CQSZACIVSA-N 0 2 383.206 3.373 10 0 GGAELN O=C(N[C@H]1CCCc2[nH]c(=O)ccc21)c1cc(Br)c(F)cc1O ZINC000294307081 565207906 /nfs/dbraw/zinc/20/79/06/565207906.db2.gz FZYUMOSSULVYPR-ZDUSSCGKSA-N 0 2 381.201 3.202 10 0 GGAELN Cc1n[nH]cc1-c1nnc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)s1 ZINC000372491284 565242034 /nfs/dbraw/zinc/24/20/34/565242034.db2.gz BASGSBICUHMNGI-UHFFFAOYSA-N 0 2 389.384 3.056 10 0 GGAELN COc1cc(C(F)(F)F)cc(S(=O)(=O)Nc2cn(C)nc2C(C)C)c1 ZINC000295211884 565251968 /nfs/dbraw/zinc/25/19/68/565251968.db2.gz PIUXOJTZNGMIIP-UHFFFAOYSA-N 0 2 377.388 3.372 10 0 GGAELN COc1cccc(-c2nsc(NS(=O)(=O)c3c(C)cccc3F)n2)c1 ZINC000186471959 565262063 /nfs/dbraw/zinc/26/20/63/565262063.db2.gz HCXFYILNGPNTQW-UHFFFAOYSA-N 0 2 379.438 3.462 10 0 GGAELN O=C(N[C@H]1CCO[C@@]2(CCSC2)C1)c1cc(Br)c(F)cc1O ZINC000295592589 565275532 /nfs/dbraw/zinc/27/55/32/565275532.db2.gz XPHAFOIXXOSJBX-VFZGTOFNSA-N 0 2 390.274 3.078 10 0 GGAELN O=C(N[C@@H]1CCO[C@]2(CCSC2)C1)c1cc(Br)c(F)cc1O ZINC000295592566 565276308 /nfs/dbraw/zinc/27/63/08/565276308.db2.gz XPHAFOIXXOSJBX-RFAUZJTJSA-N 0 2 390.274 3.078 10 0 GGAELN COc1ccc(Br)cc1S(=O)(=O)Nc1c(C)[nH]nc1C(F)F ZINC000272436169 565287573 /nfs/dbraw/zinc/28/75/73/565287573.db2.gz RPSZVLXPGMSCLQ-UHFFFAOYSA-N 0 2 396.213 3.228 10 0 GGAELN O=C1CCCc2cc(S(=O)(=O)Nc3ncc(C(F)(F)F)s3)ccc21 ZINC000295971723 565296244 /nfs/dbraw/zinc/29/62/44/565296244.db2.gz NMRGRVFLZYGGMG-UHFFFAOYSA-N 0 2 376.381 3.482 10 0 GGAELN O=C(c1cc(Br)c(F)cc1O)N1CC[C@@](CO)(c2ccccc2)C1 ZINC000296062088 565299548 /nfs/dbraw/zinc/29/95/48/565299548.db2.gz OFKYBNCSEPNUHB-GOSISDBHSA-N 0 2 394.240 3.070 10 0 GGAELN COC(=O)c1cc(NC(=O)c2cc(F)c(O)c(F)c2)ccc1Br ZINC000186986047 565300303 /nfs/dbraw/zinc/30/03/03/565300303.db2.gz JTYLVXWMKRHWBG-UHFFFAOYSA-N 0 2 386.148 3.472 10 0 GGAELN Cc1cc(Br)cc(S(=O)(=O)Nc2cc(-c3ccncc3)n[nH]2)c1 ZINC000187008914 565301587 /nfs/dbraw/zinc/30/15/87/565301587.db2.gz AFQSALZMBXREFX-UHFFFAOYSA-N 0 2 393.266 3.343 10 0 GGAELN Cc1cc(Br)cc(S(=O)(=O)Nc2cc(-c3ccncc3)[nH]n2)c1 ZINC000187008914 565301590 /nfs/dbraw/zinc/30/15/90/565301590.db2.gz AFQSALZMBXREFX-UHFFFAOYSA-N 0 2 393.266 3.343 10 0 GGAELN CCc1ncsc1NS(=O)(=O)c1cc(Br)ccc1OC ZINC000162029755 565302882 /nfs/dbraw/zinc/30/28/82/565302882.db2.gz VCDXHLXMZSECAR-UHFFFAOYSA-N 0 2 377.285 3.277 10 0 GGAELN Cc1nn(C)c(Cl)c1S(=O)(=O)Nc1cccc(NCC(F)(F)F)c1 ZINC000296533682 565321332 /nfs/dbraw/zinc/32/13/32/565321332.db2.gz DJZUAWJFPJCGNJ-UHFFFAOYSA-N 0 2 382.795 3.157 10 0 GGAELN O=S(=O)(Nc1ncc(C2CCOCC2)s1)c1c(Cl)nc2ccccn21 ZINC000296688174 565329841 /nfs/dbraw/zinc/32/98/41/565329841.db2.gz JIVPXEFUJJSYBE-UHFFFAOYSA-N 0 2 398.897 3.139 10 0 GGAELN Cc1cc(S(=O)(=O)Nc2cc(-c3ccncc3)n[nH]2)ccc1Br ZINC000163196007 565338598 /nfs/dbraw/zinc/33/85/98/565338598.db2.gz MKSSEXZHQRCIIK-UHFFFAOYSA-N 0 2 393.266 3.343 10 0 GGAELN Cc1cc(S(=O)(=O)Nc2cc(-c3ccncc3)[nH]n2)ccc1Br ZINC000163196007 565338604 /nfs/dbraw/zinc/33/86/04/565338604.db2.gz MKSSEXZHQRCIIK-UHFFFAOYSA-N 0 2 393.266 3.343 10 0 GGAELN Cc1ccc(S(=O)(=O)Nc2cc(-c3ccncc3)[nH]n2)c(Br)c1 ZINC000163197766 565339109 /nfs/dbraw/zinc/33/91/09/565339109.db2.gz UOQPQPWARWWINT-UHFFFAOYSA-N 0 2 393.266 3.343 10 0 GGAELN Cc1ccc2c(=O)c(C(=O)N(C)Cc3cc(Br)cn3C)c[nH]c2n1 ZINC000163494457 565347300 /nfs/dbraw/zinc/34/73/00/565347300.db2.gz CPXYPOACTJXFBH-UHFFFAOYSA-N 0 2 389.253 3.017 10 0 GGAELN COC(=O)c1ccc(S(=O)(=O)Nc2cnn([C@H](C)C3CC3)c2)cc1Cl ZINC000187726102 565350879 /nfs/dbraw/zinc/35/08/79/565350879.db2.gz QUFSOLKAKSUEQT-SNVBAGLBSA-N 0 2 383.857 3.095 10 0 GGAELN CCc1noc(C)c1NS(=O)(=O)c1ccc(OC)c(Br)c1 ZINC000164844625 565364049 /nfs/dbraw/zinc/36/40/49/565364049.db2.gz AQRSJAKWRJNYMA-UHFFFAOYSA-N 0 2 375.244 3.117 10 0 GGAELN COc1cc(OC)c(S(=O)(=O)Nc2cc(Cl)ccc2OC)c(OC)c1 ZINC000275017870 565389877 /nfs/dbraw/zinc/38/98/77/565389877.db2.gz OWSWGOVOLQRZHT-UHFFFAOYSA-N 0 2 387.841 3.175 10 0 GGAELN O=C(COc1ccc(Cl)c(Cl)c1)Nc1ccc(-c2nc(=O)o[nH]2)cc1 ZINC000170747837 565391229 /nfs/dbraw/zinc/39/12/29/565391229.db2.gz ILCWFZRDWQTLJX-UHFFFAOYSA-N 0 2 380.187 3.354 10 0 GGAELN CC1(C)CCCN1C(=O)Cc1ccc(NS(=O)(=O)c2cccs2)cc1 ZINC000170867771 565397172 /nfs/dbraw/zinc/39/71/72/565397172.db2.gz IWECAGBMOCDVSL-UHFFFAOYSA-N 0 2 378.519 3.492 10 0 GGAELN COC(=O)c1scc(C)c1NS(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000188511073 565405288 /nfs/dbraw/zinc/40/52/88/565405288.db2.gz YGSVTQSZBOMFAL-UHFFFAOYSA-N 0 2 380.369 3.058 10 0 GGAELN O=S(=O)(Nc1nc2c(s1)CCCC2)c1cc2c(cc1Cl)OCCO2 ZINC000171147600 565413216 /nfs/dbraw/zinc/41/32/16/565413216.db2.gz SDSAJUYWGGFBFW-UHFFFAOYSA-N 0 2 386.882 3.247 10 0 GGAELN COC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1nc2c(s1)CCCCC2 ZINC000171152250 565414606 /nfs/dbraw/zinc/41/46/06/565414606.db2.gz KNLAKUZHXLDEMG-UHFFFAOYSA-N 0 2 384.479 3.209 10 0 GGAELN O=C(NCCCc1nnc2n1CCCCC2)c1ccc(Cl)c(Cl)c1O ZINC000171617271 565440873 /nfs/dbraw/zinc/44/08/73/565440873.db2.gz DRFGRHJIMAPPHN-UHFFFAOYSA-N 0 2 383.279 3.380 10 0 GGAELN COC(=O)C[C@@](C)(NC(=O)c1ccc(Cl)c(Cl)c1O)c1ccncc1 ZINC000189127606 565444670 /nfs/dbraw/zinc/44/46/70/565444670.db2.gz CGJCMFXUMFAINY-QGZVFWFLSA-N 0 2 383.231 3.302 10 0 GGAELN COC(=O)C[C@](C)(NC(=O)c1ccc(Cl)c(Cl)c1O)c1ccncc1 ZINC000189127625 565445015 /nfs/dbraw/zinc/44/50/15/565445015.db2.gz CGJCMFXUMFAINY-KRWDZBQOSA-N 0 2 383.231 3.302 10 0 GGAELN O=C1CCCc2cc(S(=O)(=O)Nc3ncc(C(F)(F)F)s3)ccc2N1 ZINC000276671267 565456930 /nfs/dbraw/zinc/45/69/30/565456930.db2.gz SYLHJTGBINGLHY-UHFFFAOYSA-N 0 2 391.396 3.238 10 0 GGAELN CCn1nc(C)c(NS(=O)(=O)c2cc(Br)ccc2OC)c1C ZINC000172903909 565512420 /nfs/dbraw/zinc/51/24/20/565512420.db2.gz JAEOZZPWQJSOPX-UHFFFAOYSA-N 0 2 388.287 3.092 10 0 GGAELN CCc1ccc(S(=O)(=O)Nc2nnc([C@H]3Cc4ccccc4O3)o2)s1 ZINC000278388241 565555283 /nfs/dbraw/zinc/55/52/83/565555283.db2.gz MNVLXIIYUIXTJU-CYBMUJFWSA-N 0 2 377.447 3.171 10 0 GGAELN CCc1nnc(NS(=O)(=O)c2c(Cl)cccc2Br)s1 ZINC000394038031 565570073 /nfs/dbraw/zinc/57/00/73/565570073.db2.gz QQTJCLWIVDVZTP-UHFFFAOYSA-N 0 2 382.692 3.317 10 0 GGAELN Cc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000173576763 565568574 /nfs/dbraw/zinc/56/85/74/565568574.db2.gz JDTSMDKUTGCRBX-UHFFFAOYSA-N 0 2 393.408 3.218 10 0 GGAELN O=C(c1cc(F)c(O)c(Cl)c1)N1CCC(Oc2cncc(Cl)n2)CC1 ZINC000278694444 565573142 /nfs/dbraw/zinc/57/31/42/565573142.db2.gz PXNAUMHWLNNQHJ-UHFFFAOYSA-N 0 2 386.210 3.312 10 0 GGAELN CSCc1cc(C(=O)N(C)Cc2nc(=O)c3sccc3[nH]2)ccc1F ZINC000174040952 565609085 /nfs/dbraw/zinc/60/90/85/565609085.db2.gz NGARXARRWNPZNX-UHFFFAOYSA-N 0 2 377.466 3.259 10 0 GGAELN C[C@@H]1CCC[N@H+](Cc2nc(-c3cccc(Br)c3)no2)[C@H]1C(=O)[O-] ZINC000324393318 565617640 /nfs/dbraw/zinc/61/76/40/565617640.db2.gz MXHBSNGBTKEQPZ-QMTHXVAHSA-N 0 2 380.242 3.184 10 0 GGAELN C[C@@H]1CCC[N@@H+](Cc2nc(-c3cccc(Br)c3)no2)[C@H]1C(=O)[O-] ZINC000324393318 565617643 /nfs/dbraw/zinc/61/76/43/565617643.db2.gz MXHBSNGBTKEQPZ-QMTHXVAHSA-N 0 2 380.242 3.184 10 0 GGAELN C[C@@H]1CCC[N@H+](Cc2nc(-c3cccc(Br)c3)no2)[C@@H]1C(=O)[O-] ZINC000324393319 565618112 /nfs/dbraw/zinc/61/81/12/565618112.db2.gz MXHBSNGBTKEQPZ-YGRLFVJLSA-N 0 2 380.242 3.184 10 0 GGAELN C[C@@H]1CCC[N@@H+](Cc2nc(-c3cccc(Br)c3)no2)[C@@H]1C(=O)[O-] ZINC000324393319 565618117 /nfs/dbraw/zinc/61/81/17/565618117.db2.gz MXHBSNGBTKEQPZ-YGRLFVJLSA-N 0 2 380.242 3.184 10 0 GGAELN CC(C)COCCC(=O)Nc1nc(-c2ccc(Br)cc2F)n[nH]1 ZINC000409542197 565623209 /nfs/dbraw/zinc/62/32/09/565623209.db2.gz FAAWWLNNRGNIBA-UHFFFAOYSA-N 0 2 385.237 3.375 10 0 GGAELN CCOC(=O)COc1cccc(NS(=O)(=O)c2cc(C)c(Cl)s2)c1 ZINC000326355679 565623402 /nfs/dbraw/zinc/62/34/02/565623402.db2.gz GAPOSZHTGJEIPJ-UHFFFAOYSA-N 0 2 389.882 3.453 10 0 GGAELN CCn1cc(S(=O)(=O)Nc2nc(C)c(Cc3cccc(C)c3)s2)cn1 ZINC000409542479 565623854 /nfs/dbraw/zinc/62/38/54/565623854.db2.gz HBFFTVFYSVEFGK-UHFFFAOYSA-N 0 2 376.507 3.368 10 0 GGAELN CNC(=O)c1ccc(S(=O)(=O)Nc2nc3c(cccc3Cl)s2)cc1 ZINC000191848280 565636624 /nfs/dbraw/zinc/63/66/24/565636624.db2.gz HMXNMZLAUCRGSQ-UHFFFAOYSA-N 0 2 381.866 3.110 10 0 GGAELN COc1cccc(Cc2nnc(NS(=O)(=O)c3cc(C)c(C)s3)o2)c1 ZINC000280206931 565658667 /nfs/dbraw/zinc/65/86/67/565658667.db2.gz FJQPAITXNLELQY-UHFFFAOYSA-N 0 2 379.463 3.148 10 0 GGAELN CCc1ccc(S(=O)(=O)Nc2nnc(Cc3cccc(OC)c3)o2)s1 ZINC000280224674 565660216 /nfs/dbraw/zinc/66/02/16/565660216.db2.gz GTWAJPUNCBMFLA-UHFFFAOYSA-N 0 2 379.463 3.094 10 0 GGAELN CCOc1cc(C(=O)N(C)C)ccc1NS(=O)(=O)c1cc(C)sc1C ZINC000174998055 565672327 /nfs/dbraw/zinc/67/23/27/565672327.db2.gz JIUIPHIPXDDZOP-UHFFFAOYSA-N 0 2 382.507 3.266 10 0 GGAELN O=C1CCN1c1ccc(NS(=O)(=O)c2sccc2Br)cc1 ZINC000410418563 565684436 /nfs/dbraw/zinc/68/44/36/565684436.db2.gz NGKHHAZNWGDKGK-UHFFFAOYSA-N 0 2 387.280 3.048 10 0 GGAELN Cc1ccsc1-c1nc(=NC(=O)N2CC[C@]3(O)CCCC[C@H]3C2)s[nH]1 ZINC000329967774 565687084 /nfs/dbraw/zinc/68/70/84/565687084.db2.gz SSWCLRXRNVTHJT-YVEFUNNKSA-N 0 2 378.523 3.156 10 0 GGAELN CS(=O)(=O)Cc1ccccc1CNC(=O)c1ccc(Cl)c(Cl)c1O ZINC000175436541 565699523 /nfs/dbraw/zinc/69/95/23/565699523.db2.gz HFYLQBHGZWTFGG-UHFFFAOYSA-N 0 2 388.272 3.174 10 0 GGAELN O=C1N=NC(Sc2ccc3nnc(-c4cc(Cl)cc(Cl)c4)n3n2)N1 ZINC000192752054 565708770 /nfs/dbraw/zinc/70/87/70/565708770.db2.gz WIPANBDGLFARCC-UHFFFAOYSA-N 0 2 380.220 3.073 10 0 GGAELN O=c1[nH]nc(Sc2ccc3nnc(-c4cc(Cl)cc(Cl)c4)n3n2)[nH]1 ZINC000192752054 565708772 /nfs/dbraw/zinc/70/87/72/565708772.db2.gz WIPANBDGLFARCC-UHFFFAOYSA-N 0 2 380.220 3.073 10 0 GGAELN CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N=c1nc(-c2sccc2C)[nH]s1 ZINC000411145517 565714564 /nfs/dbraw/zinc/71/45/64/565714564.db2.gz CIQVDEYJGSFWAO-NEPJUHHUSA-N 0 2 378.523 3.020 10 0 GGAELN CC(C)c1nn(C)cc1NS(=O)(=O)c1cc(Br)c(F)cc1F ZINC000281179457 565716945 /nfs/dbraw/zinc/71/69/45/565716945.db2.gz QNYSMYRJEISVAA-UHFFFAOYSA-N 0 2 394.241 3.385 10 0 GGAELN CCC1(CNC(=O)C(=O)N=c2nc(-c3sccc3C)[nH]s2)CCCC1 ZINC000411307683 565723671 /nfs/dbraw/zinc/72/36/71/565723671.db2.gz NPELOLHJQLHQNO-UHFFFAOYSA-N 0 2 378.523 3.022 10 0 GGAELN Cc1ccsc1-c1nc(=NC(=O)C(=O)NCC(C)(C)C(C)(C)C)s[nH]1 ZINC000411561110 565735351 /nfs/dbraw/zinc/73/53/51/565735351.db2.gz ZDINBAWRIIRTHN-UHFFFAOYSA-N 0 2 380.539 3.124 10 0 GGAELN Cn1cc([C@H]2CCN(C(=O)c3cc(Cl)cc(Br)c3O)C2)cn1 ZINC000176298001 565763319 /nfs/dbraw/zinc/76/33/19/565763319.db2.gz GUBNNMCBOKLVJS-VIFPVBQESA-N 0 2 384.661 3.171 10 0 GGAELN Cc1nn(C)c(C)c1NS(=O)(=O)c1cc(Cl)ccc1Br ZINC000282081689 565763787 /nfs/dbraw/zinc/76/37/87/565763787.db2.gz WMFSCWBYMXGEML-UHFFFAOYSA-N 0 2 378.679 3.254 10 0 GGAELN O=S(=O)(N[C@@H]1CCCc2cn[nH]c21)c1c(Cl)cccc1Br ZINC000282274401 565772710 /nfs/dbraw/zinc/77/27/10/565772710.db2.gz ILRLQYFGXQDLSZ-LLVKDONJSA-N 0 2 390.690 3.182 10 0 GGAELN O=S(=O)(N[C@H]1CCCc2cn[nH]c21)c1c(Cl)cccc1Br ZINC000282274403 565773121 /nfs/dbraw/zinc/77/31/21/565773121.db2.gz ILRLQYFGXQDLSZ-NSHDSACASA-N 0 2 390.690 3.182 10 0 GGAELN Cc1nc(C)c(S(=O)(=O)Nc2ccc(-c3n[nH]c(C4CC4)n3)cc2)s1 ZINC000176475985 565775577 /nfs/dbraw/zinc/77/55/77/565775577.db2.gz FHCMRBHCEKICAQ-UHFFFAOYSA-N 0 2 375.479 3.223 10 0 GGAELN Cc1nc(C)c(S(=O)(=O)Nc2cccc(-c3n[nH]c(C4CC4)n3)c2)s1 ZINC000176476185 565776214 /nfs/dbraw/zinc/77/62/14/565776214.db2.gz WNTNGBCKHRYIST-UHFFFAOYSA-N 0 2 375.479 3.223 10 0 GGAELN Cc1cccc2c1OCC[C@H]2NS(=O)(=O)c1c(F)c(F)cc(F)c1F ZINC000193858066 565779597 /nfs/dbraw/zinc/77/95/97/565779597.db2.gz QMRIIMGMVLUPDZ-GFCCVEGCSA-N 0 2 375.343 3.354 10 0 GGAELN CCCNS(=O)(=O)c1ccc(NC(=O)c2cc(F)c(O)c(Cl)c2)cc1 ZINC000194386868 565811718 /nfs/dbraw/zinc/81/17/18/565811718.db2.gz OXQROSHSLJIPPC-UHFFFAOYSA-N 0 2 386.832 3.125 10 0 GGAELN Cc1c(NS(=O)(=O)c2ccc(Br)cc2C(F)(F)F)cnn1C ZINC000176975884 565819462 /nfs/dbraw/zinc/81/94/62/565819462.db2.gz JWQYJNYOYPYOHS-UHFFFAOYSA-N 0 2 398.204 3.311 10 0 GGAELN C[C@H](Sc1n[nH]c(=O)[nH]1)c1nc(=O)c2c(-c3cccs3)csc2[nH]1 ZINC000194621968 565827023 /nfs/dbraw/zinc/82/70/23/565827023.db2.gz KFABECINHCKFQV-LURJTMIESA-N 0 2 377.476 3.390 10 0 GGAELN O=C(c1cc(F)c(O)c(Cl)c1)N1CCOC[C@@H]1C[C@H](O)c1cccs1 ZINC000194822687 565840531 /nfs/dbraw/zinc/84/05/31/565840531.db2.gz JJCJUCXHATVDMH-FZMZJTMJSA-N 0 2 385.844 3.211 10 0 GGAELN Cc1cc(S(=O)(=O)Nc2nnc([C@@H]3Cc4ccccc4O3)o2)c(C)s1 ZINC000194824228 565840836 /nfs/dbraw/zinc/84/08/36/565840836.db2.gz JDLQRRKDQGAQTD-ZDUSSCGKSA-N 0 2 377.447 3.225 10 0 GGAELN Cc1ccc(Br)cc1S(=O)(=O)Nc1ccc(OC(C)C)nn1 ZINC000194983662 565851661 /nfs/dbraw/zinc/85/16/61/565851661.db2.gz TXIYOOHKCUZTSS-UHFFFAOYSA-N 0 2 386.271 3.136 10 0 GGAELN Cc1ccc(C(F)(F)F)cc1S(=O)(=O)Nc1ccc(OC(C)C)nn1 ZINC000194982510 565851778 /nfs/dbraw/zinc/85/17/78/565851778.db2.gz HGTRXLGDANNLRT-UHFFFAOYSA-N 0 2 375.372 3.392 10 0 GGAELN Cc1ccc(S(=O)(=O)Nc2ccc(OC(C)C)nn2)c(Br)c1 ZINC000194983724 565852218 /nfs/dbraw/zinc/85/22/18/565852218.db2.gz CCGYAWHSHKCQFT-UHFFFAOYSA-N 0 2 386.271 3.136 10 0 GGAELN CC(C)(C)c1csc(CS(=O)(=O)c2n[nH]c(-c3ccccc3F)n2)n1 ZINC000195130841 565861296 /nfs/dbraw/zinc/86/12/96/565861296.db2.gz QNRQLNYPHRRJSW-UHFFFAOYSA-N 0 2 380.470 3.339 10 0 GGAELN Cc1cc(S(=O)(=O)Nc2cnn(Cc3ccncc3)c2)c(Cl)cc1F ZINC000177850309 565876846 /nfs/dbraw/zinc/87/68/46/565876846.db2.gz TZFNAPUJDGBXJX-UHFFFAOYSA-N 0 2 380.832 3.228 10 0 GGAELN O=c1[nH]nc([C@H]2CCCN(c3nc(C(F)(F)F)c(Br)s3)C2)[nH]1 ZINC000333599044 565889426 /nfs/dbraw/zinc/88/94/26/565889426.db2.gz WGBMYPILALFGON-YFKPBYRVSA-N 0 2 398.208 3.132 10 0 GGAELN CC(C)Oc1ccc(NS(=O)(=O)c2ccc(CC(N)=O)s2)cc1Cl ZINC000414370583 565917106 /nfs/dbraw/zinc/91/71/06/565917106.db2.gz KTZNHXQSWZXPKF-UHFFFAOYSA-N 0 2 388.898 3.017 10 0 GGAELN COc1cc(OC)c(S(=O)(=O)Nc2cccc3c2OCCC3)cc1Cl ZINC000414370809 565917544 /nfs/dbraw/zinc/91/75/44/565917544.db2.gz HMAMZUFLUUXEEH-UHFFFAOYSA-N 0 2 383.853 3.483 10 0 GGAELN COCCOc1ccc(F)cc1NS(=O)(=O)c1ccc(Cl)c(OC)c1 ZINC000414378727 565918882 /nfs/dbraw/zinc/91/88/82/565918882.db2.gz HNZYKWZCTMNWQK-UHFFFAOYSA-N 0 2 389.832 3.314 10 0 GGAELN CCOc1ccncc1S(=O)(=O)Nc1cc2sc(C)nc2cc1OC ZINC000414385951 565920311 /nfs/dbraw/zinc/92/03/11/565920311.db2.gz WVFCBJIVFQNGBL-UHFFFAOYSA-N 0 2 379.463 3.208 10 0 GGAELN COc1cc(S(=O)(=O)Nc2cnn(C3CCOCC3)c2C)ccc1Cl ZINC000414384910 565921240 /nfs/dbraw/zinc/92/12/40/565921240.db2.gz QVXOGOKOESKDQN-UHFFFAOYSA-N 0 2 385.873 3.006 10 0 GGAELN COc1cc(OC)c(S(=O)(=O)Nc2ccnn2[C@@H](C)C2CC2)cc1Cl ZINC000414387787 565921287 /nfs/dbraw/zinc/92/12/87/565921287.db2.gz ZTSOUONOUVIGTH-JTQLQIEISA-N 0 2 385.873 3.326 10 0 GGAELN O=S(=O)(Nc1ccc(F)cc1N1CCOCC1)c1c(F)cccc1Cl ZINC000414399755 565922760 /nfs/dbraw/zinc/92/27/60/565922760.db2.gz VYBYNXPCDHPIIH-UHFFFAOYSA-N 0 2 388.823 3.256 10 0 GGAELN Cc1cc(Br)c(F)cc1NS(=O)(=O)c1c(Cl)cnn1C ZINC000228037567 565925146 /nfs/dbraw/zinc/92/51/46/565925146.db2.gz NJOBXBFRKYKWJN-UHFFFAOYSA-N 0 2 382.642 3.084 10 0 GGAELN CCCc1cnc(NS(=O)(=O)c2cc(C(=O)NC)cc(Cl)c2C)s1 ZINC000414436370 565932502 /nfs/dbraw/zinc/93/25/02/565932502.db2.gz AHXLZCUXKVUYJW-UHFFFAOYSA-N 0 2 387.914 3.218 10 0 GGAELN CNC(=O)c1cc(Cl)c(C)c(S(=O)(=O)Nc2ncc(C(C)C)s2)c1 ZINC000414446228 565933369 /nfs/dbraw/zinc/93/33/69/565933369.db2.gz XSSRTQUVTRZKOT-UHFFFAOYSA-N 0 2 387.914 3.389 10 0 GGAELN CCc1nc(NS(=O)(=O)c2cnn(CC(F)F)c2)sc1C(C)(C)C ZINC000414468537 565938604 /nfs/dbraw/zinc/93/86/04/565938604.db2.gz GNHPAVWKDISVJY-UHFFFAOYSA-N 0 2 378.470 3.265 10 0 GGAELN COC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1ccc(Cl)c(Cl)c1O ZINC000179463944 565981813 /nfs/dbraw/zinc/98/18/13/565981813.db2.gz FKYLELGSBMPAQU-CQSZACIVSA-N 0 2 380.227 3.439 10 0 GGAELN CC(C)N(C)C(=O)[C@H]1CSCN1C(=O)c1ccc(Cl)c(Cl)c1O ZINC000179496292 565984305 /nfs/dbraw/zinc/98/43/05/565984305.db2.gz MEFOQGBYVXBAON-LLVKDONJSA-N 0 2 377.293 3.081 10 0 GGAELN CC(C)[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)c1ccc(Cl)c(Cl)c1O ZINC000179570752 565989668 /nfs/dbraw/zinc/98/96/68/565989668.db2.gz HHRWQTUSNZQXIN-CABZTGNLSA-N 0 2 391.320 3.375 10 0 GGAELN Cc1scc(C(=O)Nc2nnc(NS(=O)(=O)c3ccccc3)s2)c1C ZINC000179811233 566009938 /nfs/dbraw/zinc/00/99/38/566009938.db2.gz AZRJQHGCCLPBSY-UHFFFAOYSA-N 0 2 394.503 3.270 10 0 GGAELN C[C@H]1CN(Cc2ccc(Br)c3cccnc23)C[C@H]1[NH+]1CCOCC1 ZINC000245963197 566012343 /nfs/dbraw/zinc/01/23/43/566012343.db2.gz MXHBDSCRJJZMSQ-KBXCAEBGSA-N 0 2 390.325 3.150 10 0 GGAELN Cc1n[nH]cc1-c1nnc(NS(=O)(=O)c2c(Cl)cccc2Cl)s1 ZINC000364175248 566037295 /nfs/dbraw/zinc/03/72/95/566037295.db2.gz MFVPCSZLYBLJAZ-UHFFFAOYSA-N 0 2 390.277 3.344 10 0 GGAELN CCOC(=O)c1oc(NS(=O)(=O)c2cc(C)c(F)cc2Cl)nc1C ZINC000180207508 566043755 /nfs/dbraw/zinc/04/37/55/566043755.db2.gz OZIZCPXKWKQTNJ-UHFFFAOYSA-N 0 2 376.793 3.061 10 0 GGAELN COC(=O)c1nc(NS(=O)(=O)c2ccc3ncsc3c2)sc1C(C)C ZINC000288530060 566077850 /nfs/dbraw/zinc/07/78/50/566077850.db2.gz HCWSVKPSHOCHKS-UHFFFAOYSA-N 0 2 397.503 3.464 10 0 GGAELN COC(=O)c1cc(NS(=O)(=O)c2ccccc2F)ccc1Br ZINC000180658746 566080523 /nfs/dbraw/zinc/08/05/23/566080523.db2.gz DPPLYANFBIZFEP-UHFFFAOYSA-N 0 2 388.214 3.176 10 0 GGAELN CCCc1cc(NS(=O)(=O)c2cc(F)c(Br)cc2F)[nH]n1 ZINC000180818820 566091336 /nfs/dbraw/zinc/09/13/36/566091336.db2.gz OBDXSEJYXKSNNA-UHFFFAOYSA-N 0 2 380.214 3.204 10 0 GGAELN O=C(Nc1cncc(Br)c1)C1=NN(c2ccc(F)cc2)CC1=O ZINC000181264517 566128236 /nfs/dbraw/zinc/12/82/36/566128236.db2.gz FFKMENKUFBJDOY-UHFFFAOYSA-N 0 2 377.173 3.127 10 0 GGAELN O=S(=O)(Nc1ccc(Br)cn1)c1ccc(C(F)(F)F)nc1 ZINC000181311978 566131718 /nfs/dbraw/zinc/13/17/18/566131718.db2.gz VTVNXPSACMQHSB-UHFFFAOYSA-N 0 2 382.161 3.059 10 0 GGAELN CO[C@@H](c1noc(C(C)(C)NC(=O)C(F)(F)F)n1)c1cccc(Cl)c1 ZINC000290028824 566153365 /nfs/dbraw/zinc/15/33/65/566153365.db2.gz HZJFPVHDDRJMKG-SNVBAGLBSA-N 0 2 377.750 3.372 10 0 GGAELN CC(C)(C)NC(=O)N1CCC(NC(=O)c2ccc(Cl)c(Cl)c2O)CC1 ZINC000182091431 566181503 /nfs/dbraw/zinc/18/15/03/566181503.db2.gz ZCERQXLDKHTHME-UHFFFAOYSA-N 0 2 388.295 3.401 10 0 GGAELN O=C(N=c1nc(-c2cccc(Cl)c2)[nH]s1)N1CC[C@@]2(C1)CCCOC2 ZINC000367483775 566204041 /nfs/dbraw/zinc/20/40/41/566204041.db2.gz OFIXDKISUJHFKP-QGZVFWFLSA-N 0 2 378.885 3.315 10 0 GGAELN O=C(c1ccc(Cl)c(Cl)c1O)N1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000264462642 566216346 /nfs/dbraw/zinc/21/63/46/566216346.db2.gz VNNDAPOQBHMBQL-JTQLQIEISA-N 0 2 381.263 3.257 10 0 GGAELN CN(C)C(=O)c1ccc(NS(=O)(=O)c2csc3ccc(Cl)cc32)nc1 ZINC000481837366 566255773 /nfs/dbraw/zinc/25/57/73/566255773.db2.gz FRCMPGRXRPOLRX-UHFFFAOYSA-N 0 2 395.893 3.452 10 0 GGAELN COc1cccc(Cc2nnc(NS(=O)(=O)c3cc(C)c(Cl)s3)o2)c1 ZINC000481863151 566256825 /nfs/dbraw/zinc/25/68/25/566256825.db2.gz FIWGCRISDQOLRG-UHFFFAOYSA-N 0 2 399.881 3.493 10 0 GGAELN O=S(=O)(Nc1nnc(-c2cccs2)o1)c1cnccc1C(F)(F)F ZINC000481858906 566257307 /nfs/dbraw/zinc/25/73/07/566257307.db2.gz VTCMXAJQXPIWCD-UHFFFAOYSA-N 0 2 376.341 3.013 10 0 GGAELN COC(=O)c1ccc(S(=O)(=O)Nc2nnc(-c3cccs3)o2)cc1Cl ZINC000481845831 566258106 /nfs/dbraw/zinc/25/81/06/566258106.db2.gz IHPGJWBFZOXIGB-UHFFFAOYSA-N 0 2 399.837 3.039 10 0 GGAELN CCOc1c(Br)cc(Cl)cc1NS(=O)(=O)C[C@@H](C)OC ZINC000509098199 566263016 /nfs/dbraw/zinc/26/30/16/566263016.db2.gz JUXPZIGQJXYONR-MRVPVSSYSA-N 0 2 386.695 3.278 10 0 GGAELN CC(C)(C)n1cnc(NS(=O)(=O)c2c(Cl)cccc2Br)n1 ZINC000509221192 566279581 /nfs/dbraw/zinc/27/95/81/566279581.db2.gz XBWILLRRBJJYDZ-UHFFFAOYSA-N 0 2 393.694 3.250 10 0 GGAELN Cc1cc(C(F)(F)F)ccc1S(=O)(=O)Nc1ccc(OC(C)C)nn1 ZINC000509238098 566282288 /nfs/dbraw/zinc/28/22/88/566282288.db2.gz VQRRUPLALBUCMF-UHFFFAOYSA-N 0 2 375.372 3.392 10 0 GGAELN Cc1c(S(=O)(=O)Nc2ccc(Br)cn2)c2ccccc2n1C ZINC000556303775 566283397 /nfs/dbraw/zinc/28/33/97/566283397.db2.gz JWKGNNYWVOJTOK-UHFFFAOYSA-N 0 2 380.267 3.445 10 0 GGAELN COc1ccc(Cn2cc(NS(=O)(=O)c3cc(C)sc3C)cn2)cc1 ZINC000556351626 566289074 /nfs/dbraw/zinc/28/90/74/566289074.db2.gz DKKSKTACIAPQKH-UHFFFAOYSA-N 0 2 377.491 3.419 10 0 GGAELN CCOc1ccc(CNS(=O)(=O)c2c(F)c(F)cc(F)c2F)cc1F ZINC000509350908 566293041 /nfs/dbraw/zinc/29/30/41/566293041.db2.gz MYGDRVUZOHQUON-UHFFFAOYSA-N 0 2 381.322 3.259 10 0 GGAELN Cc1ccsc1-c1nc(=NC(=O)N2CCC[C@H]([C@@H]3CCOC3)C2)s[nH]1 ZINC000575849661 566293036 /nfs/dbraw/zinc/29/30/36/566293036.db2.gz OKRCDWOTKPRJRX-QWHCGFSZSA-N 0 2 378.523 3.277 10 0 GGAELN COC(=O)c1sccc1S(=O)(=O)Nc1ccc(C(F)(F)F)nc1C ZINC000509390482 566298103 /nfs/dbraw/zinc/29/81/03/566298103.db2.gz WYBSJAAAUVBRSS-UHFFFAOYSA-N 0 2 380.369 3.058 10 0 GGAELN O=S(=O)(Nc1nnc(C2CCOCC2)s1)c1c(F)cccc1Cl ZINC000575955260 566301111 /nfs/dbraw/zinc/30/11/11/566301111.db2.gz XMTYZHUMRYACQG-UHFFFAOYSA-N 0 2 377.850 3.025 10 0 GGAELN C[C@@H]1CCCc2nc(S(=O)(=O)Nc3ncc(-c4ccccn4)s3)cn21 ZINC000575971648 566302799 /nfs/dbraw/zinc/30/27/99/566302799.db2.gz LTUNDOAZFPVVTH-LLVKDONJSA-N 0 2 375.479 3.100 10 0 GGAELN CC1(C)C[C@H](S(=O)(=O)NCC(F)(F)c2ccc(Br)cc2)CO1 ZINC000625297806 566302862 /nfs/dbraw/zinc/30/28/62/566302862.db2.gz ASCYJKPRQWWZOZ-LBPRGKRZSA-N 0 2 398.269 3.028 10 0 GGAELN CC1(C)C[C@@H](S(=O)(=O)NCC(F)(F)c2ccc(Br)cc2)CO1 ZINC000625297803 566303295 /nfs/dbraw/zinc/30/32/95/566303295.db2.gz ASCYJKPRQWWZOZ-GFCCVEGCSA-N 0 2 398.269 3.028 10 0 GGAELN CCOc1cc(F)ccc1NS(=O)(=O)c1ccc(C(=O)OC)cc1Cl ZINC000509580700 566317929 /nfs/dbraw/zinc/31/79/29/566317929.db2.gz ZLVDCCLUWDIOIX-UHFFFAOYSA-N 0 2 387.816 3.465 10 0 GGAELN O=C([O-])[C@]1(C(F)(F)F)CC[N@H+](Cc2nc3cc(Br)ccc3[nH]2)C1 ZINC000576167083 566321378 /nfs/dbraw/zinc/32/13/78/566321378.db2.gz OZNRKKULSCUUEZ-ZDUSSCGKSA-N 0 2 392.175 3.164 10 0 GGAELN O=C([O-])[C@]1(C(F)(F)F)CC[N@@H+](Cc2nc3cc(Br)ccc3[nH]2)C1 ZINC000576167083 566321382 /nfs/dbraw/zinc/32/13/82/566321382.db2.gz OZNRKKULSCUUEZ-ZDUSSCGKSA-N 0 2 392.175 3.164 10 0 GGAELN O=C([O-])[C@]1(C(F)(F)F)CC[N@H+](Cc2nc3ccc(Br)cc3[nH]2)C1 ZINC000576167083 566321388 /nfs/dbraw/zinc/32/13/88/566321388.db2.gz OZNRKKULSCUUEZ-ZDUSSCGKSA-N 0 2 392.175 3.164 10 0 GGAELN O=C([O-])[C@]1(C(F)(F)F)CC[N@@H+](Cc2nc3ccc(Br)cc3[nH]2)C1 ZINC000576167083 566321392 /nfs/dbraw/zinc/32/13/92/566321392.db2.gz OZNRKKULSCUUEZ-ZDUSSCGKSA-N 0 2 392.175 3.164 10 0 GGAELN CO[C@H](C)c1nsc(NCCC(=O)Nc2cc(Br)ccc2C)n1 ZINC000509669229 566326470 /nfs/dbraw/zinc/32/64/70/566326470.db2.gz TZJLCTXNLYCTEB-SNVBAGLBSA-N 0 2 399.314 3.179 10 0 GGAELN COc1ccc(Cl)cc1C[NH+]1CCN(c2nc(C(=O)[O-])c(C)s2)CC1 ZINC000576230620 566326999 /nfs/dbraw/zinc/32/69/99/566326999.db2.gz IQLWNXZDFBXZIK-UHFFFAOYSA-N 0 2 381.885 3.134 10 0 GGAELN O=C(CCCc1cccc(Br)c1)N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000648888393 566327881 /nfs/dbraw/zinc/32/78/81/566327881.db2.gz SHWGCQOASTYIBO-UHFFFAOYSA-N 0 2 393.285 3.002 10 0 GGAELN COc1ccc(NS(=O)(=O)c2c(Cl)cccc2Br)nc1 ZINC000669840590 566330620 /nfs/dbraw/zinc/33/06/20/566330620.db2.gz ROZPOFQCGXUOKG-UHFFFAOYSA-N 0 2 377.647 3.307 10 0 GGAELN CC1(C)SC[C@@H]1NC(=O)Cc1ccc(NS(=O)(=O)c2cccs2)cc1 ZINC000576415079 566343765 /nfs/dbraw/zinc/34/37/65/566343765.db2.gz VOPHSODVTLAXIK-AWEZNQCLSA-N 0 2 396.559 3.102 10 0 GGAELN CC(=O)Nc1cc(F)c(S(=O)(=O)NC[C@@H]2CCCC23CC3)c(F)c1Cl ZINC000625670972 566348841 /nfs/dbraw/zinc/34/88/41/566348841.db2.gz SSWUSPUNOHAHFU-JTQLQIEISA-N 0 2 392.855 3.435 10 0 GGAELN COC(=O)c1csc(S(=O)(=O)Nc2cccc(C3CCOCC3)c2)c1 ZINC000600662779 566355371 /nfs/dbraw/zinc/35/53/71/566355371.db2.gz SSVMQMBHCHOUEE-UHFFFAOYSA-N 0 2 381.475 3.230 10 0 GGAELN COC(=O)c1scc(C)c1NS(=O)(=O)C[C@@H](OC)c1ccc(F)cc1 ZINC000600655568 566356054 /nfs/dbraw/zinc/35/60/54/566356054.db2.gz RLENHLQHYNVSLE-CYBMUJFWSA-N 0 2 387.454 3.112 10 0 GGAELN COC(=O)c1sccc1S(=O)(=O)Nc1cccc(C2CCOCC2)c1 ZINC000600662898 566356165 /nfs/dbraw/zinc/35/61/65/566356165.db2.gz XCCVQHVVQVJGMT-UHFFFAOYSA-N 0 2 381.475 3.230 10 0 GGAELN COC(=O)c1sc(NS(=O)(=O)c2ccc(C)c(F)c2F)nc1C1CC1 ZINC000600668023 566357455 /nfs/dbraw/zinc/35/74/55/566357455.db2.gz KXMBKVVVMZUKOP-UHFFFAOYSA-N 0 2 388.417 3.195 10 0 GGAELN COc1c(Br)cc(Cl)cc1NS(=O)(=O)C[C@@H](OC)C1CC1 ZINC000576582802 566361619 /nfs/dbraw/zinc/36/16/19/566361619.db2.gz GWAPUGZZOPFFFO-GFCCVEGCSA-N 0 2 398.706 3.278 10 0 GGAELN O=C(c1cc(Br)c(F)cc1O)N1CC[C@@H](Cc2ccncc2)C1 ZINC000649368769 566363022 /nfs/dbraw/zinc/36/30/22/566363022.db2.gz VYHIJDSFVVARPX-LBPRGKRZSA-N 0 2 379.229 3.394 10 0 GGAELN O=C(N=c1nc(-c2cccc(Cl)c2)[nH]s1)N1CCO[C@@H](C2CCC2)C1 ZINC000557120911 566363745 /nfs/dbraw/zinc/36/37/45/566363745.db2.gz FXRHSXKOPGCSNZ-CQSZACIVSA-N 0 2 378.885 3.313 10 0 GGAELN C[C@@H](CC(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1)C(F)(F)F ZINC000625983782 566372919 /nfs/dbraw/zinc/37/29/19/566372919.db2.gz AJRUQVOIXMVVDG-VIFPVBQESA-N 0 2 393.412 3.471 10 0 GGAELN CC(C)Oc1ccc(NS(=O)(=O)c2cc3c(c(Cl)c2)O[C@H](C)C3)nn1 ZINC000446950642 566373081 /nfs/dbraw/zinc/37/30/81/566373081.db2.gz AQYFYWSSVSMNIN-SNVBAGLBSA-N 0 2 383.857 3.041 10 0 GGAELN CCc1ccc2nc(NS(=O)(=O)c3ccc(C)c(C(N)=O)c3)sc2c1 ZINC000536457853 566373884 /nfs/dbraw/zinc/37/38/84/566373884.db2.gz CCDNPCVVZQMMRY-UHFFFAOYSA-N 0 2 375.475 3.067 10 0 GGAELN CC(C)Oc1ccc(NS(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)nn1 ZINC000446964529 566375131 /nfs/dbraw/zinc/37/51/31/566375131.db2.gz DVWYUXFTRCQZDU-UHFFFAOYSA-N 0 2 393.799 3.319 10 0 GGAELN COc1cc(C(F)(F)F)cc(S(=O)(=O)Nc2cnn(C)c2C(F)F)c1 ZINC000649619862 566378654 /nfs/dbraw/zinc/37/86/54/566378654.db2.gz UYWONQKSJVKFGL-UHFFFAOYSA-N 0 2 385.314 3.186 10 0 GGAELN CO[C@H](CS(=O)(=O)Nc1cc(Cl)ccc1OCC(F)(F)F)C1CC1 ZINC000576822577 566380860 /nfs/dbraw/zinc/38/08/60/566380860.db2.gz KVLPALKMDOHLIT-CYBMUJFWSA-N 0 2 387.807 3.448 10 0 GGAELN C[C@@H](CN=c1[nH]nc(C2CCOCC2)s1)Oc1ccccc1Br ZINC000576998561 566396507 /nfs/dbraw/zinc/39/65/07/566396507.db2.gz JXEYQJDKSUIZKA-NSHDSACASA-N 0 2 398.326 3.496 10 0 GGAELN Cc1ccc(S(=O)(=O)Nc2c[nH]nc2-c2ccccn2)cc1Br ZINC000536766515 566399323 /nfs/dbraw/zinc/39/93/23/566399323.db2.gz HYVFNQVSLNOSLN-UHFFFAOYSA-N 0 2 393.266 3.343 10 0 GGAELN Cn1c(=O)ccc2ccc(NS(=O)(=O)c3ccc(Br)s3)cc21 ZINC000447266821 566399430 /nfs/dbraw/zinc/39/94/30/566399430.db2.gz YNBUTBAVDHLGAN-UHFFFAOYSA-N 0 2 399.291 3.163 10 0 GGAELN Cc1[nH+]ccc(NC([O-])=C(C[C@H]2CCCO2)C(F)(F)F)c1Br ZINC000649949056 566407904 /nfs/dbraw/zinc/40/79/04/566407904.db2.gz NGOGUNXFVHWTCJ-ZJUUUORDSA-N 0 2 381.192 3.261 10 0 GGAELN O=C(N=c1nc(-c2cccc(Cl)c2)[nH]s1)[C@@H]1CCCN1CC(F)(F)F ZINC000463679646 566426100 /nfs/dbraw/zinc/42/61/00/566426100.db2.gz USMFOGCSTAUGRM-NSHDSACASA-N 0 2 390.818 3.246 10 0 GGAELN CC(C)n1cc(C(C)(C)NC(=O)c2cc(Br)c(F)cc2O)nn1 ZINC000422070216 566432198 /nfs/dbraw/zinc/43/21/98/566432198.db2.gz ITMHHOPDUIKXLF-UHFFFAOYSA-N 0 2 385.237 3.131 10 0 GGAELN COc1ccc(NS(=O)(=O)c2cc(Cl)c(Br)cc2F)nc1 ZINC000671668014 566435837 /nfs/dbraw/zinc/43/58/37/566435837.db2.gz WXHUZFIDWDRHJC-UHFFFAOYSA-N 0 2 395.637 3.446 10 0 GGAELN C[C@@H]1CO[C@@H](C(F)(F)F)CN1C(=O)c1cc(Br)c(F)cc1O ZINC000650221074 566439784 /nfs/dbraw/zinc/43/97/84/566439784.db2.gz FAMBIXXYOZRIPK-KSBSHMNSSA-N 0 2 386.139 3.086 10 0 GGAELN Cc1cc(NS(=O)(=O)C[C@H]2CCCO2)nn1-c1ccc(Cl)c(Cl)c1 ZINC000537393440 566443001 /nfs/dbraw/zinc/44/30/01/566443001.db2.gz CMZPSMBBQZBPEF-GFCCVEGCSA-N 0 2 390.292 3.408 10 0 GGAELN CC(C)(C)OC(=O)[C@H]1CCCN1C(=O)N=c1nc(-c2ccsc2)[nH]s1 ZINC000447998256 566451483 /nfs/dbraw/zinc/45/14/83/566451483.db2.gz HBVDNTGXCRVXKE-LLVKDONJSA-N 0 2 380.495 3.027 10 0 GGAELN COCc1cc(CNC(=O)N=c2nc(-c3ccsc3)[nH]s2)ccc1F ZINC000447996231 566451541 /nfs/dbraw/zinc/45/15/41/566451541.db2.gz ABUBSWOCUGGING-UHFFFAOYSA-N 0 2 378.454 3.296 10 0 GGAELN O=C(N=c1nc(-c2ccsc2)[nH]s1)NCCc1nc2c(s1)CCCC2 ZINC000447998470 566452331 /nfs/dbraw/zinc/45/23/31/566452331.db2.gz HNDHLAHVPGCALL-UHFFFAOYSA-N 0 2 391.547 3.388 10 0 GGAELN C[C@@H](COc1cccc(F)c1)NC(=O)N=c1nc(-c2ccsc2)[nH]s1 ZINC000448000662 566453590 /nfs/dbraw/zinc/45/35/90/566453590.db2.gz QIVMBOLBXUGOPU-JTQLQIEISA-N 0 2 378.454 3.417 10 0 GGAELN O=C(N=c1nc(-c2ccsc2)[nH]s1)N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000448009460 566453887 /nfs/dbraw/zinc/45/38/87/566453887.db2.gz JSDWAFMMQQNVGB-UPJWGTAASA-N 0 2 376.507 3.158 10 0 GGAELN C[C@H](NC(=O)N=c1nc(-c2ccsc2)[nH]s1)c1ccc([S@@](C)=O)cc1 ZINC000448002790 566454123 /nfs/dbraw/zinc/45/41/23/566454123.db2.gz XECRYEPAPHWPQX-UXMMLNGASA-N 0 2 392.531 3.309 10 0 GGAELN O=C(N=c1nc(-c2ccsc2)[nH]s1)NCc1cn2cc(Cl)ccc2n1 ZINC000448007991 566454240 /nfs/dbraw/zinc/45/42/40/566454240.db2.gz CKYYNKSEDPARCC-UHFFFAOYSA-N 0 2 390.881 3.311 10 0 GGAELN COCC[C@H](Cc1ccco1)NC(=O)N=c1nc(-c2ccsc2)[nH]s1 ZINC000448000598 566454265 /nfs/dbraw/zinc/45/42/65/566454265.db2.gz NWECCOOJGPTARL-GFCCVEGCSA-N 0 2 378.479 3.051 10 0 GGAELN C[C@@H](CNC(=O)N=c1nc(-c2ccsc2)[nH]s1)Oc1cccc(F)c1 ZINC000448012304 566454573 /nfs/dbraw/zinc/45/45/73/566454573.db2.gz SPTDBBGFHSCYPC-JTQLQIEISA-N 0 2 378.454 3.417 10 0 GGAELN COC(=O)c1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2O)cc1 ZINC000511333581 566455723 /nfs/dbraw/zinc/45/57/23/566455723.db2.gz LSDRGQPTPNPEDL-UHFFFAOYSA-N 0 2 376.217 3.286 10 0 GGAELN CC(C)n1cnc(NS(=O)(=O)c2cc(Cl)ccc2Br)n1 ZINC000650487732 566460278 /nfs/dbraw/zinc/46/02/78/566460278.db2.gz PPWBPOBNJXJCHG-UHFFFAOYSA-N 0 2 379.667 3.076 10 0 GGAELN CC(C)c1ccc(S(=O)(=O)Nc2nc3c(s2)C(=O)NC(C)(C)C3)cc1 ZINC000650493982 566460384 /nfs/dbraw/zinc/46/03/84/566460384.db2.gz PUQQUXWYNXJKDT-UHFFFAOYSA-N 0 2 379.507 3.132 10 0 GGAELN CC(C)(C)n1cnc(=NC(=O)N(Cc2cccc(Br)c2)C2CC2)[nH]1 ZINC000558270406 566460477 /nfs/dbraw/zinc/46/04/77/566460477.db2.gz LCQWFBSIOMCAMY-UHFFFAOYSA-N 0 2 392.301 3.414 10 0 GGAELN CC(C)n1cnc(NS(=O)(=O)c2c(Cl)cc(F)cc2Br)n1 ZINC000650487636 566461324 /nfs/dbraw/zinc/46/13/24/566461324.db2.gz NZQCZGRTYTYLMQ-UHFFFAOYSA-N 0 2 397.657 3.215 10 0 GGAELN Cc1cccc(-c2nnnn2[C@@H]2C[C@H]2C)c1NS(=O)(=O)c1cccs1 ZINC000448539685 566476103 /nfs/dbraw/zinc/47/61/03/566476103.db2.gz WAOMWWCORYPVNB-DGCLKSJQSA-N 0 2 375.479 3.092 10 0 GGAELN COc1ccc(Br)c(C[NH+]2CCN(c3cc[nH+]cc3OC)CC2)c1 ZINC000558481146 566478154 /nfs/dbraw/zinc/47/81/54/566478154.db2.gz BCMHDMFLIXPUCB-UHFFFAOYSA-N 0 2 392.297 3.184 10 0 GGAELN CC[C@@H](C)Oc1cccc(NS(=O)(=O)c2ccccc2S(C)(=O)=O)c1 ZINC000511733439 566485341 /nfs/dbraw/zinc/48/53/41/566485341.db2.gz FXRYZEWYAVSZGF-CYBMUJFWSA-N 0 2 383.491 3.068 10 0 GGAELN O=S(=O)(N[C@@H]1CCCC1(F)F)c1cc(F)c(Br)cc1F ZINC000672431247 566490539 /nfs/dbraw/zinc/49/05/39/566490539.db2.gz SPTBYTHPWKMIMI-SNVBAGLBSA-N 0 2 376.169 3.193 10 0 GGAELN COC(=O)c1c(F)ccc(NS(=O)(=O)c2c(F)cc(F)cc2F)c1C ZINC000558593006 566490665 /nfs/dbraw/zinc/49/06/65/566490665.db2.gz OVJUEYRHMYKGSG-UHFFFAOYSA-N 0 2 377.315 3.139 10 0 GGAELN Cn1ncc(Cl)c1S(=O)(=O)Nc1cc(F)c(OC(C)(C)C)c(F)c1 ZINC000485393440 566493314 /nfs/dbraw/zinc/49/33/14/566493314.db2.gz ABAVBBRZQYHSFS-UHFFFAOYSA-N 0 2 379.816 3.330 10 0 GGAELN CCOc1ccc(NS(=O)(=O)c2c(Cl)cnn2C)cc1Br ZINC000485386183 566493572 /nfs/dbraw/zinc/49/35/72/566493572.db2.gz CPEZRMQVQQYVQW-UHFFFAOYSA-N 0 2 394.678 3.036 10 0 GGAELN CCOc1ccc(Br)cc1NS(=O)(=O)c1c(Cl)cnn1C ZINC000485394971 566493720 /nfs/dbraw/zinc/49/37/20/566493720.db2.gz ZGXWNGXVGQMJKR-UHFFFAOYSA-N 0 2 394.678 3.036 10 0 GGAELN Cc1c(NS(=O)(=O)c2c(Cl)cnn2C)cccc1OCC(F)(F)F ZINC000485391178 566494047 /nfs/dbraw/zinc/49/40/47/566494047.db2.gz PPSFDNLWJUUUIG-UHFFFAOYSA-N 0 2 383.779 3.124 10 0 GGAELN Cn1ncc(Cl)c1S(=O)(=O)Nc1cccc(NC(=O)c2cccs2)c1 ZINC000485409158 566494893 /nfs/dbraw/zinc/49/48/93/566494893.db2.gz RMZKICWTRVIVMW-UHFFFAOYSA-N 0 2 396.881 3.188 10 0 GGAELN Cc1cc(NS(=O)(=O)c2c(Cl)cnn2C)ccc1Oc1cccnc1 ZINC000485413863 566496991 /nfs/dbraw/zinc/49/69/91/566496991.db2.gz YTBKIYKJBZPQPT-UHFFFAOYSA-N 0 2 378.841 3.370 10 0 GGAELN CCc1nnc(NS(=O)(=O)c2cc(Br)cc3cccnc32)s1 ZINC000578162238 566497397 /nfs/dbraw/zinc/49/73/97/566497397.db2.gz ZKXPFTRZSXHSPT-UHFFFAOYSA-N 0 2 399.295 3.212 10 0 GGAELN COCn1nc(C)c(S(=O)(=O)Nc2ccccc2CC(F)(F)F)c1C ZINC000424065528 566507521 /nfs/dbraw/zinc/50/75/21/566507521.db2.gz QETPXKYKDRKEAQ-UHFFFAOYSA-N 0 2 377.388 3.009 10 0 GGAELN COCc1cc(Cl)ccc1NS(=O)(=O)c1cnn(CC(F)(F)F)c1 ZINC000424084416 566509057 /nfs/dbraw/zinc/50/90/57/566509057.db2.gz OHIFNSFIAQGDFE-UHFFFAOYSA-N 0 2 383.779 3.046 10 0 GGAELN O=S(=O)(Nc1nnc(C2CCCCC2)o1)c1cnccc1C(F)(F)F ZINC000578306312 566509886 /nfs/dbraw/zinc/50/98/86/566509886.db2.gz NZUTYTRDLWMYBG-UHFFFAOYSA-N 0 2 376.360 3.332 10 0 GGAELN O=C(N=c1nc(-c2ccsc2)[nH]s1)N1CC2(CCOCC2)[C@H]1C1CC1 ZINC000578315040 566511209 /nfs/dbraw/zinc/51/12/09/566511209.db2.gz VSYTYGUBKAYNSJ-CYBMUJFWSA-N 0 2 376.507 3.111 10 0 GGAELN O=S(=O)(Nc1nc2cc(F)ccc2[nH]1)c1ccc(OC(F)F)c(F)c1 ZINC000578425911 566520844 /nfs/dbraw/zinc/52/08/44/566520844.db2.gz USLSPBPKPNJRQE-UHFFFAOYSA-N 0 2 375.303 3.243 10 0 GGAELN CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1nc2c(s1)C[N@@H+](C(C)(C)C)CC2 ZINC000424219213 566522198 /nfs/dbraw/zinc/52/21/98/566522198.db2.gz CMBGRBIUOVMTPU-ZDUSSCGKSA-N 0 2 389.587 3.103 10 0 GGAELN CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1nc2c(s1)C[N@H+](C(C)(C)C)CC2 ZINC000424219213 566522203 /nfs/dbraw/zinc/52/22/03/566522203.db2.gz CMBGRBIUOVMTPU-ZDUSSCGKSA-N 0 2 389.587 3.103 10 0 GGAELN O=S(=O)(N[C@@H](c1nccs1)C(F)(F)F)c1cc(F)c(F)cc1F ZINC000559140947 566528574 /nfs/dbraw/zinc/52/85/74/566528574.db2.gz SDBMVSXIJZNBOT-VIFPVBQESA-N 0 2 376.303 3.142 10 0 GGAELN COc1cccc(-c2nsc(NS(=O)(=O)c3cc(C)ccc3C)n2)c1 ZINC000512371365 566528917 /nfs/dbraw/zinc/52/89/17/566528917.db2.gz HHWPYGKFZNZPPK-UHFFFAOYSA-N 0 2 375.475 3.053 10 0 GGAELN O=C(NCc1[nH+]ccn1CCCc1ccccc1)c1s[n-]c(=O)c1Cl ZINC000559262338 566537042 /nfs/dbraw/zinc/53/70/42/566537042.db2.gz ZVUAYTLLVKODFH-UHFFFAOYSA-N 0 2 376.869 3.261 10 0 GGAELN CCOc1cc(NS(=O)(=O)c2cccnc2C(F)(F)F)ccc1OC ZINC000673463522 566537935 /nfs/dbraw/zinc/53/79/35/566537935.db2.gz GGCWUKOBIULEGT-UHFFFAOYSA-N 0 2 376.356 3.309 10 0 GGAELN O=S(=O)(N[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F)c1cscn1 ZINC000578744816 566550017 /nfs/dbraw/zinc/55/00/17/566550017.db2.gz YIDAGMWKSXDWLD-SNVBAGLBSA-N 0 2 388.339 3.326 10 0 GGAELN CC(C)(C)[N@@H+]1CCc2nc([N-]S(=O)(=O)c3cccc(F)c3F)sc2C1 ZINC000578757866 566551436 /nfs/dbraw/zinc/55/14/36/566551436.db2.gz YWAIIXQPDTWWBH-UHFFFAOYSA-N 0 2 387.477 3.379 10 0 GGAELN CC(C)(C)[N@H+]1CCc2nc([N-]S(=O)(=O)c3cccc(F)c3F)sc2C1 ZINC000578757866 566551439 /nfs/dbraw/zinc/55/14/39/566551439.db2.gz YWAIIXQPDTWWBH-UHFFFAOYSA-N 0 2 387.477 3.379 10 0 GGAELN CN(C(=O)N=c1ccc(-c2ccc(Br)s2)n[nH]1)C1CCOCC1 ZINC000559495100 566552335 /nfs/dbraw/zinc/55/23/35/566552335.db2.gz OWNUOVJMNXSNFS-UHFFFAOYSA-N 0 2 397.298 3.032 10 0 GGAELN COc1cccc(-c2nsc(NS(=O)(=O)c3cc(C)c(C)s3)n2)c1 ZINC000539111107 566560248 /nfs/dbraw/zinc/56/02/48/566560248.db2.gz ZKJCECLCTMWOHT-UHFFFAOYSA-N 0 2 381.504 3.115 10 0 GGAELN CCn1cnc(S(=O)(=O)Nc2ncc(Cc3cc(F)cc(F)c3)s2)c1 ZINC000673897394 566565593 /nfs/dbraw/zinc/56/55/93/566565593.db2.gz CPBWFYWDPLMLFH-UHFFFAOYSA-N 0 2 384.433 3.029 10 0 GGAELN Cc1cc(Br)cc(C)c1S(=O)(=O)Nc1cnc2ccccc2n1 ZINC000466367764 566568802 /nfs/dbraw/zinc/56/88/02/566568802.db2.gz ZEUHSOHZBXTECX-UHFFFAOYSA-N 0 2 392.278 3.232 10 0 GGAELN CN(C)c1ncccc1NS(=O)(=O)c1cccc(Br)c1Cl ZINC000559843517 566573018 /nfs/dbraw/zinc/57/30/18/566573018.db2.gz CTUNLZMTVSHSBD-UHFFFAOYSA-N 0 2 390.690 3.364 10 0 GGAELN Cc1cc(S(=O)(=O)Nc2cnc(CC3CC3)nc2)sc1Br ZINC000559976540 566582364 /nfs/dbraw/zinc/58/23/64/566582364.db2.gz BSOUQBRBELTIGV-UHFFFAOYSA-N 0 2 388.312 3.362 10 0 GGAELN O=C(Nc1cc(Cl)c(O)c(Cl)c1)c1ccc(CN2CCOCC2)cn1 ZINC000539477003 566583203 /nfs/dbraw/zinc/58/32/03/566583203.db2.gz RVGJKKYYQJKIJY-UHFFFAOYSA-N 0 2 382.247 3.179 10 0 GGAELN NC(=O)c1ccc(NS(=O)(=O)c2c(Cl)ccc(F)c2F)cc1Cl ZINC000560007161 566585258 /nfs/dbraw/zinc/58/52/58/566585258.db2.gz GTAWHHQLESPOGI-UHFFFAOYSA-N 0 2 381.187 3.171 10 0 GGAELN CCc1nn(C)cc1NS(=O)(=O)c1cccc(Br)c1Cl ZINC000560012690 566585693 /nfs/dbraw/zinc/58/56/93/566585693.db2.gz KUMWBEJXUPNGTQ-UHFFFAOYSA-N 0 2 378.679 3.199 10 0 GGAELN CCC(F)(F)CNC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1O ZINC000628846707 566592881 /nfs/dbraw/zinc/59/28/81/566592881.db2.gz XPGDRCFNLMIUHG-UHFFFAOYSA-N 0 2 390.433 3.030 10 0 GGAELN COC(=O)c1c(F)ccc(NS(=O)(=O)c2cc(F)c(F)cc2F)c1C ZINC000579297783 566596163 /nfs/dbraw/zinc/59/61/63/566596163.db2.gz PKULRRSFBFOTCQ-UHFFFAOYSA-N 0 2 377.315 3.139 10 0 GGAELN Cn1nc(C2CCOCC2)cc1NC(=O)c1cc(Br)c(F)cc1O ZINC000628933025 566596970 /nfs/dbraw/zinc/59/69/70/566596970.db2.gz MDBFUBLCBIBDPM-UHFFFAOYSA-N 0 2 398.232 3.174 10 0 GGAELN COCCc1ccc(S(=O)(=O)Nc2cc(-c3ccsc3)nn2C)cc1 ZINC000486551639 566597493 /nfs/dbraw/zinc/59/74/93/566597493.db2.gz UFZAYUBOCYUQLW-UHFFFAOYSA-N 0 2 377.491 3.138 10 0 GGAELN COCn1nc(C)c(S(=O)(=O)Nc2ccc(Cl)c3cccnc23)c1C ZINC000579462166 566610709 /nfs/dbraw/zinc/61/07/09/566610709.db2.gz MLCSEJDTWBVPIJ-UHFFFAOYSA-N 0 2 380.857 3.106 10 0 GGAELN COc1cc(N(C)C(=O)c2cccc(Br)c2O)cc(OC)c1OC ZINC000539885121 566611960 /nfs/dbraw/zinc/61/19/60/566611960.db2.gz DYJICRNBDPFTHA-UHFFFAOYSA-N 0 2 396.237 3.457 10 0 GGAELN O=C(c1csc(-c2ccc(Cl)s2)n1)N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000539931095 566615652 /nfs/dbraw/zinc/61/56/52/566615652.db2.gz JAVVDKWRUNFOKQ-UHFFFAOYSA-N 0 2 395.897 3.369 10 0 GGAELN CCn1c2ccc(S(=O)(=O)Nc3cc(Cl)c(Cl)cn3)cc2oc1=O ZINC000467019174 566616703 /nfs/dbraw/zinc/61/67/03/566616703.db2.gz VEXAIPTWCLZYLW-UHFFFAOYSA-N 0 2 388.232 3.117 10 0 GGAELN CN1C(=O)C[C@@H](C(=O)Nc2cc(Cl)cc(Cl)c2O)[C@@H]1c1cccnc1 ZINC000579535222 566617383 /nfs/dbraw/zinc/61/73/83/566617383.db2.gz DRDUNPDIWNEWKU-ABAIWWIYSA-N 0 2 380.231 3.252 10 0 GGAELN CCc1oc(C(=O)OC)cc1S(=O)(=O)Nc1cc(Cl)c(Cl)cn1 ZINC000486771597 566620504 /nfs/dbraw/zinc/62/05/04/566620504.db2.gz LQTNEFAOWMNLTN-UHFFFAOYSA-N 0 2 379.221 3.131 10 0 GGAELN O=S(=O)(Nc1ccc(Cl)cc1O)c1cc2c(cc1Cl)OCCO2 ZINC000513817629 566627119 /nfs/dbraw/zinc/62/71/19/566627119.db2.gz LPSDLBLZWTTZFE-UHFFFAOYSA-N 0 2 376.217 3.271 10 0 GGAELN CC(C)Oc1cc(NS(=O)(=O)c2cc(Cl)ccc2F)ccc1C(N)=O ZINC000579693480 566631008 /nfs/dbraw/zinc/63/10/08/566631008.db2.gz NGCSAHVCSZUXQR-UHFFFAOYSA-N 0 2 386.832 3.166 10 0 GGAELN Cc1ccc(-c2nnc(NS(=O)(=O)c3cccnc3C(F)(F)F)o2)s1 ZINC000675265525 566634086 /nfs/dbraw/zinc/63/40/86/566634086.db2.gz TXMJCDMJOYFZAX-UHFFFAOYSA-N 0 2 390.368 3.321 10 0 GGAELN COCc1ccccc1CS(=O)(=O)Nc1nsc(-c2ccccc2)n1 ZINC000675254409 566634321 /nfs/dbraw/zinc/63/43/21/566634321.db2.gz DJPGWHNUPLSQEX-UHFFFAOYSA-N 0 2 375.475 3.293 10 0 GGAELN CCO[C@@H](CS(=O)(=O)Nc1cc(F)ccc1OCC(F)(F)F)C1CC1 ZINC000629286528 566635126 /nfs/dbraw/zinc/63/51/26/566635126.db2.gz UABZAUSLWRNGAN-AWEZNQCLSA-N 0 2 385.379 3.324 10 0 GGAELN COc1c(Cl)cccc1NS(=O)(=O)C[C@H](Cc1ccc(F)cc1)OC ZINC000629287782 566635309 /nfs/dbraw/zinc/63/53/09/566635309.db2.gz XCCAGRMEZHGQMH-AWEZNQCLSA-N 0 2 387.860 3.487 10 0 GGAELN CCOc1ccc(S(=O)(=O)Nc2ccc(OC)cn2)cc1Br ZINC000675283621 566636225 /nfs/dbraw/zinc/63/62/25/566636225.db2.gz QAWFNGNUOPBXHZ-UHFFFAOYSA-N 0 2 387.255 3.052 10 0 GGAELN Cc1ccc(NS(=O)(=O)c2cc(C)cnc2N)c(OCC(F)(F)F)c1 ZINC000540212916 566636410 /nfs/dbraw/zinc/63/64/10/566636410.db2.gz VMBXQRMEXBTPTJ-UHFFFAOYSA-N 0 2 375.372 3.023 10 0 GGAELN O=C(Cc1ccc(NS(=O)(=O)c2cccs2)cc1)N1CCC12CCC2 ZINC000467307394 566640487 /nfs/dbraw/zinc/64/04/87/566640487.db2.gz UWGXKSHUMRPRME-UHFFFAOYSA-N 0 2 376.503 3.246 10 0 GGAELN COc1cc(NS(=O)(=O)c2cc(C)c(Br)s2)cnc1OC ZINC000629315347 566640751 /nfs/dbraw/zinc/64/07/51/566640751.db2.gz RZVNSQVREDXFTI-UHFFFAOYSA-N 0 2 393.284 3.032 10 0 GGAELN COCn1nc(C)c(S(=O)(=O)Nc2ccc(C(F)(F)F)c(F)c2)c1C ZINC000629305973 566640782 /nfs/dbraw/zinc/64/07/82/566640782.db2.gz SERPIWAVIPJNOA-UHFFFAOYSA-N 0 2 381.351 3.063 10 0 GGAELN CCn1nccc1S(=O)(=O)Nc1ccc(SC)c(Br)c1 ZINC000629313381 566640973 /nfs/dbraw/zinc/64/09/73/566640973.db2.gz JVQUICZADCVMGX-UHFFFAOYSA-N 0 2 376.301 3.188 10 0 GGAELN COCc1ccc(NS(=O)(=O)c2cccnc2C(F)(F)F)cc1OC ZINC000629330029 566644171 /nfs/dbraw/zinc/64/41/71/566644171.db2.gz YEBOHHATDMPIBZ-UHFFFAOYSA-N 0 2 376.356 3.056 10 0 GGAELN CSc1ccc(NS(=O)(=O)c2cc3c(cc2Cl)N(C(C)=O)CC3)cn1 ZINC000629347803 566648164 /nfs/dbraw/zinc/64/81/64/566648164.db2.gz JIBRFRWBMAMKNI-UHFFFAOYSA-N 0 2 397.909 3.167 10 0 GGAELN C[C@@H]1CN(C(=O)c2cc(Br)c(F)cc2O)CCN1CC(F)(F)F ZINC000450298563 566654373 /nfs/dbraw/zinc/65/43/73/566654373.db2.gz BESXRHWPPMGNPY-MRVPVSSYSA-N 0 2 399.182 3.002 10 0 GGAELN O=S(=O)(Nc1nsc(-c2ccccc2)n1)c1cccnc1C(F)(F)F ZINC000514628683 566656710 /nfs/dbraw/zinc/65/67/10/566656710.db2.gz SCWZULBXDIWNEC-UHFFFAOYSA-N 0 2 386.380 3.420 10 0 GGAELN COCCc1cc(NS(=O)(=O)c2c(C)c(Cl)cc(C)c2Cl)n(C)n1 ZINC000676028089 566673029 /nfs/dbraw/zinc/67/30/29/566673029.db2.gz CWWKKPPTSAQFHY-UHFFFAOYSA-N 0 2 392.308 3.333 10 0 GGAELN Cc1cc(Br)cc(C[NH2+]Cc2nocc2C(=O)[O-])c1OC(F)F ZINC000653507570 566673811 /nfs/dbraw/zinc/67/38/11/566673811.db2.gz LEYAIALEOCLPGI-UHFFFAOYSA-N 0 2 391.168 3.335 10 0 GGAELN O=S(=O)(Nc1nnc(SCc2ccc(F)cc2)s1)c1cccnc1 ZINC000676236870 566681886 /nfs/dbraw/zinc/68/18/86/566681886.db2.gz VXKJPRLICDRIRI-UHFFFAOYSA-N 0 2 382.467 3.165 10 0 GGAELN CN=c1[nH]nc(CC(=O)N2CCC(c3cccc(Cl)c3Cl)CC2)s1 ZINC000515197637 566697449 /nfs/dbraw/zinc/69/74/49/566697449.db2.gz ZWMRIVZHRQLNPQ-UHFFFAOYSA-N 0 2 385.320 3.257 10 0 GGAELN COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)Nc1cc(O)cc(F)c1 ZINC000468370740 566698758 /nfs/dbraw/zinc/69/87/58/566698758.db2.gz GZYKBPUBVPWJJY-SNVBAGLBSA-N 0 2 389.832 3.399 10 0 GGAELN COCCCOc1ccc(C(=O)N=c2nc(-c3ccsc3)[nH]s2)cc1 ZINC000426275377 566702331 /nfs/dbraw/zinc/70/23/31/566702331.db2.gz FSPYCKWKOKQONE-UHFFFAOYSA-N 0 2 375.475 3.356 10 0 GGAELN CO[C@@H](CS(=O)(=O)Nc1ccc(Cl)cc1OCC(F)(F)F)C1CC1 ZINC000580564134 566703955 /nfs/dbraw/zinc/70/39/55/566703955.db2.gz MCCNXCUVUHCNOZ-ZDUSSCGKSA-N 0 2 387.807 3.448 10 0 GGAELN Cc1cc(Br)cc(Cl)c1C(=O)N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000515386386 566709820 /nfs/dbraw/zinc/70/98/20/566709820.db2.gz OFSNRHBUFDPMPA-UHFFFAOYSA-N 0 2 399.676 3.254 10 0 GGAELN COc1ccc(NS(=O)(=O)c2cc(Br)ccc2Cl)nc1 ZINC000608258603 566711026 /nfs/dbraw/zinc/71/10/26/566711026.db2.gz UEPQFVOCSWXVCA-UHFFFAOYSA-N 0 2 377.647 3.307 10 0 GGAELN O=S(=O)(Nc1cc(C(F)(F)F)[nH]n1)c1ccc(OC(F)F)c(Cl)c1 ZINC000676870098 566712902 /nfs/dbraw/zinc/71/29/02/566712902.db2.gz HYWGJYKUCVQOHA-UHFFFAOYSA-N 0 2 391.705 3.484 10 0 GGAELN Cc1cc(Br)c(S(=O)(=O)Nc2cnoc2)c(Br)c1 ZINC000608341654 566713231 /nfs/dbraw/zinc/71/32/31/566713231.db2.gz PSOICKPGXIILIF-UHFFFAOYSA-N 0 2 396.060 3.309 10 0 GGAELN COc1cc(OC)c(S(=O)(=O)Nc2cc(Cl)cc(C)c2O)c(OC)c1 ZINC000488238145 566715411 /nfs/dbraw/zinc/71/54/11/566715411.db2.gz WHMPOAMLVKZBKM-UHFFFAOYSA-N 0 2 387.841 3.181 10 0 GGAELN Cc1ccsc1-c1nc(=NC(=O)N2C[C@@]3(CCCO3)[C@H]2C2CC2)s[nH]1 ZINC000580816746 566725891 /nfs/dbraw/zinc/72/58/91/566725891.db2.gz LJAQUWGXSSUWAI-DYVFJYSZSA-N 0 2 376.507 3.172 10 0 GGAELN Cc1cc(NS(=O)(=O)c2c(Cl)ccc(F)c2F)n(C2CCOCC2)n1 ZINC000450984467 566729040 /nfs/dbraw/zinc/72/90/40/566729040.db2.gz WLOHIWCAEWJNGI-UHFFFAOYSA-N 0 2 391.827 3.275 10 0 GGAELN Cc1c(Br)cccc1S(=O)(=O)Nc1cc(-c2ccncc2)n[nH]1 ZINC000677232715 566730480 /nfs/dbraw/zinc/73/04/80/566730480.db2.gz DFIJNSJHLSRFLJ-UHFFFAOYSA-N 0 2 393.266 3.343 10 0 GGAELN Cc1c(Br)cccc1S(=O)(=O)Nc1cc(-c2ccncc2)[nH]n1 ZINC000677232715 566730486 /nfs/dbraw/zinc/73/04/86/566730486.db2.gz DFIJNSJHLSRFLJ-UHFFFAOYSA-N 0 2 393.266 3.343 10 0 GGAELN O=C([O-])[C@@H]([NH2+]Cc1csc(-c2cccc(Br)c2)n1)[C@H]1CCCO1 ZINC000630470489 566736616 /nfs/dbraw/zinc/73/66/16/566736616.db2.gz VTBLZKGCBAGEDN-KGLIPLIRSA-N 0 2 397.294 3.294 10 0 GGAELN COc1cc(Br)c(F)cc1S(=O)(=O)NC(C)(C)C(F)(F)F ZINC000451028646 566739038 /nfs/dbraw/zinc/73/90/38/566739038.db2.gz DLWXMLIRWBGQFV-UHFFFAOYSA-N 0 2 394.184 3.216 10 0 GGAELN COCc1ccccc1CS(=O)(=O)Nc1nc(CC(F)(F)F)cs1 ZINC000451054284 566744102 /nfs/dbraw/zinc/74/41/02/566744102.db2.gz IIJZRYJBOUUXMA-UHFFFAOYSA-N 0 2 380.413 3.336 10 0 GGAELN Cc1c(NS(=O)(=O)c2cc(C)c(F)cc2Cl)cnn1C1CCOCC1 ZINC000451068090 566747421 /nfs/dbraw/zinc/74/74/21/566747421.db2.gz HQDCIJJEPYUPRY-UHFFFAOYSA-N 0 2 387.864 3.445 10 0 GGAELN CCCc1cc(NS(=O)(=O)c2cc(Cl)ccc2O[C@H](C)COC)[nH]n1 ZINC000468978613 566750623 /nfs/dbraw/zinc/75/06/23/566750623.db2.gz OPPBCEHVLSNTSU-LLVKDONJSA-N 0 2 387.889 3.230 10 0 GGAELN Cc1cc(S(=O)(=O)Nc2cnn(C)c2C(F)F)ccc1Br ZINC000677551820 566751596 /nfs/dbraw/zinc/75/15/96/566751596.db2.gz IHRHHCOHUVEGAM-UHFFFAOYSA-N 0 2 380.214 3.229 10 0 GGAELN COc1ccc(Br)cc1S(=O)(=O)Nc1ccc2c(n1)CCC2 ZINC000451092270 566753493 /nfs/dbraw/zinc/75/34/93/566753493.db2.gz CASPTCMHRMKWNL-UHFFFAOYSA-N 0 2 383.267 3.142 10 0 GGAELN Cn1ncc(NS(=O)(=O)c2cc(F)ccc2Br)c1C(F)F ZINC000677552025 566753566 /nfs/dbraw/zinc/75/35/66/566753566.db2.gz MELXLUMMEBHZRL-UHFFFAOYSA-N 0 2 384.177 3.060 10 0 GGAELN CCSCc1ccc(NS(=O)(=O)c2ccccc2S(C)(=O)=O)cc1 ZINC000451105997 566759855 /nfs/dbraw/zinc/75/98/55/566759855.db2.gz KPNMJBPASDYZPS-UHFFFAOYSA-N 0 2 385.532 3.144 10 0 GGAELN CCOC(=O)c1c(C)c(C)sc1NS(=O)(=O)c1ccc(F)c(OC)c1 ZINC000469109944 566761502 /nfs/dbraw/zinc/76/15/02/566761502.db2.gz XUZFNHVECVMNQW-UHFFFAOYSA-N 0 2 387.454 3.490 10 0 GGAELN Cn1cc([C@H]2N(C(=O)c3cc(Br)c(F)cc3O)CC2(C)C)cn1 ZINC000581256645 566762119 /nfs/dbraw/zinc/76/21/19/566762119.db2.gz ZQTWSYXLCJLPRG-CQSZACIVSA-N 0 2 382.233 3.251 10 0 GGAELN COC(=O)Cc1ccc(S(=O)(=O)Nc2nc3c(cccc3C)s2)cc1 ZINC000609603621 566775899 /nfs/dbraw/zinc/77/58/99/566775899.db2.gz LIOOINADVXUHSQ-UHFFFAOYSA-N 0 2 376.459 3.121 10 0 GGAELN COC(=O)c1ccc(Cl)cc1NS(=O)(=O)c1c(C)nn(C(C)C)c1C ZINC000609657796 566778431 /nfs/dbraw/zinc/77/84/31/566778431.db2.gz CQDAOEQRMIGDFV-UHFFFAOYSA-N 0 2 385.873 3.322 10 0 GGAELN C[C@H]1Cc2cc(S(=O)(=O)Nc3cc([C@@H]4CCCO4)[nH]n3)cc(Cl)c2O1 ZINC000562315483 566779564 /nfs/dbraw/zinc/77/95/64/566779564.db2.gz CADJZFUNIKKNDO-XPTSAGLGSA-N 0 2 383.857 3.039 10 0 GGAELN C[C@@H]1Cc2cc(S(=O)(=O)Nc3cc([C@@H]4CCCO4)[nH]n3)cc(Cl)c2O1 ZINC000562315482 566779975 /nfs/dbraw/zinc/77/99/75/566779975.db2.gz CADJZFUNIKKNDO-OTYXRUKQSA-N 0 2 383.857 3.039 10 0 GGAELN COc1ccc(NS(=O)(=O)c2c(Cl)cc(F)cc2Br)nc1 ZINC000678107477 566780924 /nfs/dbraw/zinc/78/09/24/566780924.db2.gz JXBUWSXUWCJVID-UHFFFAOYSA-N 0 2 395.637 3.446 10 0 GGAELN COC(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2cccnc21 ZINC000609691749 566781121 /nfs/dbraw/zinc/78/11/21/566781121.db2.gz WVYHQYZHEWELRL-UHFFFAOYSA-N 0 2 376.821 3.476 10 0 GGAELN Cc1cc(Br)cc(C)c1S(=O)(=O)Nc1ncn(C(C)(C)C)n1 ZINC000542216176 566782445 /nfs/dbraw/zinc/78/24/45/566782445.db2.gz ATYJVYBEYHTWEE-UHFFFAOYSA-N 0 2 387.303 3.213 10 0 GGAELN CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@H]2CC3CCC2CC3)c(F)c1Cl ZINC000562344956 566782886 /nfs/dbraw/zinc/78/28/86/566782886.db2.gz HGIKUQREDKYBAK-CBINBANVSA-N 0 2 392.855 3.434 10 0 GGAELN CC(=O)Nc1ccc(S(=O)(=O)Nc2nc3cc(C)ccc3[nH]2)cc1Cl ZINC000427634606 566785511 /nfs/dbraw/zinc/78/55/11/566785511.db2.gz VHVGHKQXCFTOLW-UHFFFAOYSA-N 0 2 378.841 3.284 10 0 GGAELN COc1ccc(S(=O)(=O)Nc2nc3cc(C)ccc3[nH]2)cc1Br ZINC000427649480 566786099 /nfs/dbraw/zinc/78/60/99/566786099.db2.gz YJLLNFFDHRNQSQ-UHFFFAOYSA-N 0 2 396.266 3.443 10 0 GGAELN COc1ccc(S(=O)(=O)Nc2nc3ccc(C)cc3[nH]2)cc1Br ZINC000427649480 566786106 /nfs/dbraw/zinc/78/61/06/566786106.db2.gz YJLLNFFDHRNQSQ-UHFFFAOYSA-N 0 2 396.266 3.443 10 0 GGAELN Cn1nc([C@H]2CCCOC2)cc1NC(=O)c1cc(Br)c(F)cc1O ZINC000451319091 566794556 /nfs/dbraw/zinc/79/45/56/566794556.db2.gz MOGVGRCBHXMFHZ-VIFPVBQESA-N 0 2 398.232 3.174 10 0 GGAELN O=c1[nH]nc([C@H]2CCCN(c3ncc(Br)cc3C(F)(F)F)C2)[nH]1 ZINC000631265651 566795237 /nfs/dbraw/zinc/79/52/37/566795237.db2.gz KNMNLVNDPFLMKO-ZETCQYMHSA-N 0 2 392.179 3.071 10 0 GGAELN Cc1nc2ccc(S(=O)(=O)Nc3nnc(-c4ccoc4C)o3)cc2s1 ZINC000427779067 566797735 /nfs/dbraw/zinc/79/77/35/566797735.db2.gz NQGRUMSPUPOKJC-UHFFFAOYSA-N 0 2 376.419 3.357 10 0 GGAELN CN(Cc1cc(Br)ccc1F)C(=O)N=c1ncn(C(C)(C)C)[nH]1 ZINC000542436348 566800537 /nfs/dbraw/zinc/80/05/37/566800537.db2.gz JVOUQESAUZLFHL-UHFFFAOYSA-N 0 2 384.253 3.021 10 0 GGAELN C[C@@H](CCc1ccc(Br)cc1)NC(=O)N=c1ncn(C(C)(C)C)[nH]1 ZINC000542437533 566800676 /nfs/dbraw/zinc/80/06/76/566800676.db2.gz AUEKERBIXURUDB-LBPRGKRZSA-N 0 2 394.317 3.360 10 0 GGAELN O=C(CCNC(=O)[C@H]1CCc2cc(Br)ccc21)Nc1ccccn1 ZINC000581886319 566811958 /nfs/dbraw/zinc/81/19/58/566811958.db2.gz ZEWMQYQHGYGBBL-HNNXBMFYSA-N 0 2 388.265 3.019 10 0 GGAELN C[C@@H](CCNC(=O)Nc1c(-c2cccs2)nc2ccccn21)[S@](C)=O ZINC000581877146 566812167 /nfs/dbraw/zinc/81/21/67/566812167.db2.gz ORAWOKKHKFKFBO-VDBVYFBLSA-N 0 2 376.507 3.341 10 0 GGAELN O=C(Cc1ccc(NS(=O)(=O)c2cccs2)cc1)N1CC[C@@H]1C1CC1 ZINC000562757662 566819984 /nfs/dbraw/zinc/81/99/84/566819984.db2.gz JSQOFRONOAGWOT-MRXNPFEDSA-N 0 2 376.503 3.102 10 0 GGAELN CCOC(=O)CC[C@H](C)NC(=O)N=c1nc(-c2cccc(Cl)c2)[nH]s1 ZINC000542726677 566820362 /nfs/dbraw/zinc/82/03/62/566820362.db2.gz DBVDHPVRDJPGGD-JTQLQIEISA-N 0 2 382.873 3.134 10 0 GGAELN C[C@H]1CCCc2nc(S(=O)(=O)Nc3nsc(-c4ccccc4)n3)cn21 ZINC000562780489 566822446 /nfs/dbraw/zinc/82/24/46/566822446.db2.gz URNXXLGJKXGDJH-NSHDSACASA-N 0 2 375.479 3.100 10 0 GGAELN CO[C@H]1C[C@@H](N(C)C(=O)N=c2nc(-c3sccc3C)[nH]s2)C12CCC2 ZINC000517515146 566829415 /nfs/dbraw/zinc/82/94/15/566829415.db2.gz WYTWRJVCGXUMLL-NEPJUHHUSA-N 0 2 378.523 3.418 10 0 GGAELN Cc1cc(S(=O)(=O)N[C@@H](C[C@@H]2CCCO2)C(F)(F)F)sc1Cl ZINC000655661638 566829808 /nfs/dbraw/zinc/82/98/08/566829808.db2.gz HAUVRFJBBQVLCS-IUCAKERBSA-N 0 2 377.837 3.488 10 0 GGAELN O=S(=O)(N[C@@H](C[C@H]1CCCO1)C(F)(F)F)c1cc(Cl)ccc1F ZINC000655661572 566829999 /nfs/dbraw/zinc/82/99/99/566829999.db2.gz GJTOSHOFLWUCHI-SKDRFNHKSA-N 0 2 375.771 3.257 10 0 GGAELN O=S(=O)(N[C@H](C[C@H]1CCCO1)C(F)(F)F)c1cc(Cl)ccc1F ZINC000655661569 566830253 /nfs/dbraw/zinc/83/02/53/566830253.db2.gz GJTOSHOFLWUCHI-BXKDBHETSA-N 0 2 375.771 3.257 10 0 GGAELN O=S(=O)(N[C@@H](C[C@@H]1CCCO1)C(F)(F)F)c1cc(F)ccc1Cl ZINC000655661620 566830567 /nfs/dbraw/zinc/83/05/67/566830567.db2.gz GUYPUSBYIWKNQS-CABZTGNLSA-N 0 2 375.771 3.257 10 0 GGAELN O=S(=O)(N[C@@H](C[C@H]1CCCO1)C(F)(F)F)c1cccc(Cl)c1F ZINC000655661825 566830750 /nfs/dbraw/zinc/83/07/50/566830750.db2.gz IXVPUDHKVQKEAB-KCJUWKMLSA-N 0 2 375.771 3.257 10 0 GGAELN O=S(=O)(N[C@H](C[C@@H]1CCCO1)C(F)(F)F)c1cc(F)ccc1Cl ZINC000655661621 566830763 /nfs/dbraw/zinc/83/07/63/566830763.db2.gz GUYPUSBYIWKNQS-JOYOIKCWSA-N 0 2 375.771 3.257 10 0 GGAELN O=S(=O)(N[C@@H](C[C@@H]1CCCO1)C(F)(F)F)c1ccc(Cl)cc1F ZINC000655663626 566832490 /nfs/dbraw/zinc/83/24/90/566832490.db2.gz ILFDVOXWZGUQCV-CABZTGNLSA-N 0 2 375.771 3.257 10 0 GGAELN O=C(c1c[nH]cc1-c1ccc(Cl)s1)N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000582124397 566833378 /nfs/dbraw/zinc/83/33/78/566833378.db2.gz BVKVQNLLRAQVPD-UHFFFAOYSA-N 0 2 377.857 3.240 10 0 GGAELN COC(=O)c1ccc(NS(=O)(=O)c2ccc(-c3csc(C)n3)s2)cn1 ZINC000542941397 566842043 /nfs/dbraw/zinc/84/20/43/566842043.db2.gz HXWZDOYQNDHPHO-UHFFFAOYSA-N 0 2 395.487 3.162 10 0 GGAELN C[C@@H]1CCN(C(=O)c2cccc(NS(=O)(=O)c3cccs3)c2)C[C@@H]1F ZINC000679246592 566844346 /nfs/dbraw/zinc/84/43/46/566844346.db2.gz BVTCIHJHWWWMIQ-DOMZBBRYSA-N 0 2 382.482 3.369 10 0 GGAELN COC(=O)c1ccc(F)cc1S(=O)(=O)Nc1ccc(C(C)=O)c(Cl)c1 ZINC000543022520 566845445 /nfs/dbraw/zinc/84/54/45/566845445.db2.gz KWHPQFRKCYBZQR-UHFFFAOYSA-N 0 2 385.800 3.269 10 0 GGAELN C[C@H](O)C[C@H](CNS(=O)(=O)c1onc(C2CC2)c1Cl)c1ccccc1 ZINC000632099989 566849737 /nfs/dbraw/zinc/84/97/37/566849737.db2.gz SGOUCXSIFWDSLZ-SMDDNHRTSA-N 0 2 384.885 3.038 10 0 GGAELN Cn1nccc1[C@@H]1CCCCN1C(=O)c1cc(Br)c(F)cc1O ZINC000451629974 566853847 /nfs/dbraw/zinc/85/38/47/566853847.db2.gz FBCGDORGTVDOKM-AWEZNQCLSA-N 0 2 382.233 3.395 10 0 GGAELN COC(=O)c1ccc(OC)cc1NS(=O)(=O)c1cc(C)c(F)cc1Cl ZINC000610753659 566859810 /nfs/dbraw/zinc/85/98/10/566859810.db2.gz FLGRWNKWDNVPGZ-UHFFFAOYSA-N 0 2 387.816 3.384 10 0 GGAELN COC(=O)[C@H](NS(=O)(=O)c1cc(C)c(F)cc1Cl)c1ccccc1F ZINC000610760093 566860694 /nfs/dbraw/zinc/86/06/94/566860694.db2.gz DLQCMKKDJIPMEH-OAHLLOKOSA-N 0 2 389.807 3.119 10 0 GGAELN O=S(=O)(N[C@@H]1CCO[C@@H](c2ccccc2)C1)c1onc(C2CC2)c1Cl ZINC000632218177 566863472 /nfs/dbraw/zinc/86/34/72/566863472.db2.gz NHZPKCDQCJQAEQ-ZIAGYGMSSA-N 0 2 382.869 3.404 10 0 GGAELN Cc1nc(-c2ccc(CNC(=O)N=c3ncn(C(C)(C)C)[nH]3)s2)cs1 ZINC000543366054 566874292 /nfs/dbraw/zinc/87/42/92/566874292.db2.gz ODLFCPXHPLHVBN-UHFFFAOYSA-N 0 2 376.511 3.270 10 0 GGAELN CCN(CC)Cc1csc(NS(=O)(=O)c2ccc3ncsc3c2)n1 ZINC000656184944 566881022 /nfs/dbraw/zinc/88/10/22/566881022.db2.gz BZJPIBXQUWHKAG-UHFFFAOYSA-N 0 2 382.536 3.395 10 0 GGAELN COCc1cnc(NS(=O)(=O)Cc2cccc(Br)c2C)s1 ZINC000656182806 566881112 /nfs/dbraw/zinc/88/11/12/566881112.db2.gz QZDRCMZKPBXFSR-UHFFFAOYSA-N 0 2 391.312 3.302 10 0 GGAELN CC(C)Oc1cncc(NS(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)n1 ZINC000656186600 566883357 /nfs/dbraw/zinc/88/33/57/566883357.db2.gz JJJOYENXGFIDTA-UHFFFAOYSA-N 0 2 379.335 3.223 10 0 GGAELN Cc1nc(S(=O)(=O)NC2(C)CCC(F)(F)CC2)sc1Br ZINC000680094509 566891810 /nfs/dbraw/zinc/89/18/10/566891810.db2.gz JGRDZVUUNLUWQP-UHFFFAOYSA-N 0 2 389.287 3.460 10 0 GGAELN CC(C)(C)C(F)(F)CNS(=O)(=O)Cc1ncsc1Br ZINC000632573004 566894588 /nfs/dbraw/zinc/89/45/88/566894588.db2.gz NPNDJFLDWIUHKC-UHFFFAOYSA-N 0 2 377.276 3.006 10 0 GGAELN O=C(CNS(=O)(=O)c1onc(C2CC2)c1Cl)c1cc(Cl)ccc1F ZINC000632605603 566896435 /nfs/dbraw/zinc/89/64/35/566896435.db2.gz OJUANKWARPQCNI-UHFFFAOYSA-N 0 2 393.223 3.159 10 0 GGAELN O=C(N=c1ncn(C2CCCCC2)[nH]1)NCc1ccc(Br)c(F)c1 ZINC000543648202 566896513 /nfs/dbraw/zinc/89/65/13/566896513.db2.gz IOHDRTQMRINDRL-UHFFFAOYSA-N 0 2 396.264 3.429 10 0 GGAELN CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@@]23C[C@@H]2CCCC3)c(F)c1Cl ZINC000632656168 566903889 /nfs/dbraw/zinc/90/38/89/566903889.db2.gz QOGFOMFFRWVOCC-VFZGTOFNSA-N 0 2 378.828 3.188 10 0 GGAELN Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)N2CC[C@@H]2C2CC2)cc1 ZINC000563681101 566907049 /nfs/dbraw/zinc/90/70/49/566907049.db2.gz FESLXCVHDLXAMB-OAHLLOKOSA-N 0 2 376.503 3.482 10 0 GGAELN Cc1ccc(S(=O)(=O)Nc2cc(I)ccc2O)s1 ZINC000611291242 566907136 /nfs/dbraw/zinc/90/71/36/566907136.db2.gz JGBCATHKHHJOKF-UHFFFAOYSA-N 0 2 395.243 3.168 10 0 GGAELN O=S(=O)(NCc1nc(-c2ccccn2)cs1)c1onc(C2CC2)c1Cl ZINC000632729040 566908417 /nfs/dbraw/zinc/90/84/17/566908417.db2.gz NBQAXBVVSGOPHA-UHFFFAOYSA-N 0 2 396.881 3.202 10 0 GGAELN CC(C)(C)[N@@H+]1CCc2nc([N-]S(=O)(=O)c3ccc(F)cc3F)sc2C1 ZINC000518961544 566911842 /nfs/dbraw/zinc/91/18/42/566911842.db2.gz LLDKVUZTECTEAT-UHFFFAOYSA-N 0 2 387.477 3.379 10 0 GGAELN CC(C)(C)[N@H+]1CCc2nc([N-]S(=O)(=O)c3ccc(F)cc3F)sc2C1 ZINC000518961544 566911843 /nfs/dbraw/zinc/91/18/43/566911843.db2.gz LLDKVUZTECTEAT-UHFFFAOYSA-N 0 2 387.477 3.379 10 0 GGAELN Cc1nc(-c2ccc(C(=O)N3CCC(c4n[nH]c(=O)[nH]4)CC3)s2)cs1 ZINC000632808322 566915777 /nfs/dbraw/zinc/91/57/77/566915777.db2.gz ONJGGRQMUOIDER-UHFFFAOYSA-N 0 2 375.479 3.024 10 0 GGAELN CC1(C)CC[C@H](C(=O)Nc2nc(-c3ccc(Br)cc3F)n[nH]2)O1 ZINC000429362744 566927749 /nfs/dbraw/zinc/92/77/49/566927749.db2.gz NVRCSCKBUXZHMN-LLVKDONJSA-N 0 2 383.221 3.269 10 0 GGAELN COc1cc(C)c(C)cc1NS(=O)(=O)c1ccc([C@@H](C)NC(C)=O)s1 ZINC000656633617 566928108 /nfs/dbraw/zinc/92/81/08/566928108.db2.gz DWKPKNTUZBJCLN-GFCCVEGCSA-N 0 2 382.507 3.371 10 0 GGAELN COc1cc(C)c(C)cc1NS(=O)(=O)c1ccc([C@H](C)NC(C)=O)s1 ZINC000656633618 566928353 /nfs/dbraw/zinc/92/83/53/566928353.db2.gz DWKPKNTUZBJCLN-LBPRGKRZSA-N 0 2 382.507 3.371 10 0 GGAELN CSc1cc(Cl)ccc1NS(=O)(=O)c1coc(C(=O)N(C)C)c1C ZINC000656632900 566928850 /nfs/dbraw/zinc/92/88/50/566928850.db2.gz MHYIUHBZCGUKDE-UHFFFAOYSA-N 0 2 388.898 3.466 10 0 GGAELN CCc1nn(C)c(CC)c1S(=O)(=O)Nc1cnc(C(F)(F)F)c(C)c1 ZINC000656638354 566930305 /nfs/dbraw/zinc/93/03/05/566930305.db2.gz YZVLDLJDPYKZKR-UHFFFAOYSA-N 0 2 376.404 3.068 10 0 GGAELN COC(=O)c1sc(NS(=O)(=O)c2ccc(C(F)(F)F)nc2)cc1C ZINC000611732589 566935919 /nfs/dbraw/zinc/93/59/19/566935919.db2.gz GVGZDBGIZXGXDN-UHFFFAOYSA-N 0 2 380.369 3.058 10 0 GGAELN CCc1cc(NS(=O)(=O)c2cc(Cl)cc(Br)c2)n(C)n1 ZINC000656727844 566938588 /nfs/dbraw/zinc/93/85/88/566938588.db2.gz QGCBRVRMDKASDK-UHFFFAOYSA-N 0 2 378.679 3.199 10 0 GGAELN COCc1csc(NS(=O)(=O)Cc2cc(F)ccc2Br)n1 ZINC000656726569 566939118 /nfs/dbraw/zinc/93/91/18/566939118.db2.gz FAXXIBZZNBPGNC-UHFFFAOYSA-N 0 2 395.275 3.133 10 0 GGAELN COc1cc(Cl)c(S(=O)(=O)Nc2cncc3c2CCCC3)cc1OC ZINC000656736696 566942782 /nfs/dbraw/zinc/94/27/82/566942782.db2.gz OBSXPKRSSSAXQL-UHFFFAOYSA-N 0 2 382.869 3.432 10 0 GGAELN COc1cc(C)c(S(=O)(=O)Nc2nnc(CCC(C)C)s2)cc1OC ZINC000656736645 566943026 /nfs/dbraw/zinc/94/30/26/566943026.db2.gz LJPJIIINKBMOJW-UHFFFAOYSA-N 0 2 385.511 3.253 10 0 GGAELN CC(=O)Nc1ccc(S(=O)(=O)Nc2nnc(CCC(C)C)s2)c(F)c1 ZINC000656736614 566943095 /nfs/dbraw/zinc/94/30/95/566943095.db2.gz JXAYFMXLIGEXGL-UHFFFAOYSA-N 0 2 386.474 3.025 10 0 GGAELN CN(C)c1cccc(S(=O)(=O)Nc2ccnn2-c2ccc(Cl)cc2)c1 ZINC000493059971 566943686 /nfs/dbraw/zinc/94/36/86/566943686.db2.gz VEOWYUPTHVUKKK-UHFFFAOYSA-N 0 2 376.869 3.393 10 0 GGAELN Cc1cnn(C)c1NS(=O)(=O)c1cc(Br)cc(C(F)(F)F)c1 ZINC000656738968 566944108 /nfs/dbraw/zinc/94/41/08/566944108.db2.gz NSJGALOMHNXWDS-UHFFFAOYSA-N 0 2 398.204 3.311 10 0 GGAELN Cc1ccnc(NS(=O)(=O)c2cc3c(cc2Cl)OCCO3)c1C1CC1 ZINC000656739043 566944388 /nfs/dbraw/zinc/94/43/88/566944388.db2.gz RNHCKBHWEDVSSD-UHFFFAOYSA-N 0 2 380.853 3.493 10 0 GGAELN Cc1cnn(C)c1NS(=O)(=O)c1cc(C(F)(F)F)ccc1Br ZINC000656740025 566944643 /nfs/dbraw/zinc/94/46/43/566944643.db2.gz IPEVQPNCAXDOJQ-UHFFFAOYSA-N 0 2 398.204 3.311 10 0 GGAELN O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)[C@@H]1CCC[C@H]2C[C@H]21 ZINC000611928964 566944794 /nfs/dbraw/zinc/94/47/94/566944794.db2.gz VLUAGEDEKHJTMS-NILFDRSVSA-N 0 2 377.491 3.319 10 0 GGAELN CO[C@H](CS(=O)(=O)Nc1cc(Cl)ccc1C(F)(F)F)[C@@H]1CCOC1 ZINC000656740431 566944793 /nfs/dbraw/zinc/94/47/93/566944793.db2.gz ZWFPDOXRBNAWEL-NOZJJQNGSA-N 0 2 387.807 3.152 10 0 GGAELN CO[C@@H](CS(=O)(=O)Nc1cc(Cl)ccc1C(F)(F)F)[C@@H]1CCOC1 ZINC000656740432 566945161 /nfs/dbraw/zinc/94/51/61/566945161.db2.gz ZWFPDOXRBNAWEL-RNCFNFMXSA-N 0 2 387.807 3.152 10 0 GGAELN O=S(=O)(Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1)c1cscn1 ZINC000583381415 566945806 /nfs/dbraw/zinc/94/58/06/566945806.db2.gz KASOJGLBBUIHAF-UHFFFAOYSA-N 0 2 382.536 3.263 10 0 GGAELN CCn1ncc(C)c1NS(=O)(=O)c1cc(Cl)cc(Br)c1 ZINC000656741333 566947281 /nfs/dbraw/zinc/94/72/81/566947281.db2.gz LQRPEEHUQPWYAX-UHFFFAOYSA-N 0 2 378.679 3.428 10 0 GGAELN COC(=O)c1ccc(S(=O)(=O)Nc2cccnc2C(F)(F)F)cc1Cl ZINC000583404325 566948057 /nfs/dbraw/zinc/94/80/57/566948057.db2.gz OOEJPYYXECMGGA-UHFFFAOYSA-N 0 2 394.758 3.341 10 0 GGAELN O=C(NCc1n[nH]c(-c2ccc(Br)cc2)n1)c1ccc(O)c(F)c1 ZINC000681038762 566948711 /nfs/dbraw/zinc/94/87/11/566948711.db2.gz WZBNRAGDEICKFJ-UHFFFAOYSA-N 0 2 391.200 3.009 10 0 GGAELN O=C(NCc1nc(-c2ccc(Br)cc2)n[nH]1)c1ccc(O)c(F)c1 ZINC000681038762 566948716 /nfs/dbraw/zinc/94/87/16/566948716.db2.gz WZBNRAGDEICKFJ-UHFFFAOYSA-N 0 2 391.200 3.009 10 0 GGAELN CCn1c(CNC(=O)c2cccc3[nH]nnc32)nc2cc(Br)ccc21 ZINC000564141471 566950055 /nfs/dbraw/zinc/95/00/55/566950055.db2.gz DRBICTGBZOBVSI-UHFFFAOYSA-N 0 2 399.252 3.020 10 0 GGAELN CC[C@@H](NC(=O)N=c1ncn(C(C)(C)C)[nH]1)c1nc(C(F)(F)F)cs1 ZINC000544318369 566953094 /nfs/dbraw/zinc/95/30/94/566953094.db2.gz WVZWFGJWTMGUPS-MRVPVSSYSA-N 0 2 376.408 3.203 10 0 GGAELN Cc1cc(-c2nc(-c3c[nH]c4c(C)cc(Br)cc4c3=O)no2)cnn1 ZINC000564269026 566960466 /nfs/dbraw/zinc/96/04/66/566960466.db2.gz PUSFZUVHBMRGSO-UHFFFAOYSA-N 0 2 398.220 3.414 10 0 GGAELN Cn1ncc(NS(=O)(=O)c2ccc(Br)cc2F)c1C(F)F ZINC000681365287 566970161 /nfs/dbraw/zinc/97/01/61/566970161.db2.gz DPWJBCJMGTXLOR-UHFFFAOYSA-N 0 2 384.177 3.060 10 0 GGAELN Cc1cccc(S(=O)(=O)Nc2cc([C@@H]3CCCO3)[nH]n2)c1Br ZINC000583728012 566978846 /nfs/dbraw/zinc/97/88/46/566978846.db2.gz KDWRSTYCOMRAJV-NSHDSACASA-N 0 2 386.271 3.133 10 0 GGAELN Cc1nc([C@@](C)(NC(=O)c2cc(Br)c(F)cc2O)C2CC2)no1 ZINC000452440341 566981382 /nfs/dbraw/zinc/98/13/82/566981382.db2.gz JAGQQYDSUNOFSU-HNNXBMFYSA-N 0 2 384.205 3.040 10 0 GGAELN CCn1nccc1S(=O)(=O)Nc1ncc(Cc2ccc(F)c(F)c2)s1 ZINC000471900683 566982836 /nfs/dbraw/zinc/98/28/36/566982836.db2.gz GLKDZDBJVBIOAX-UHFFFAOYSA-N 0 2 384.433 3.029 10 0 GGAELN O=C([O-])[C@@H]1CN(c2cc[nH+]c(C3CC3)n2)C[C@H]1c1ccc(Br)cc1 ZINC000583815783 566985570 /nfs/dbraw/zinc/98/55/70/566985570.db2.gz ZZSAJQYVFACRKS-LSDHHAIUSA-N 0 2 388.265 3.421 10 0 GGAELN Cc1ccsc1-c1nsc(NS(=O)(=O)c2cccc3cccnc32)n1 ZINC000471922502 566986607 /nfs/dbraw/zinc/98/66/07/566986607.db2.gz YYTOEVDGPIWJJK-UHFFFAOYSA-N 0 2 388.499 3.346 10 0 GGAELN COC(=O)CCCCC(=O)Nc1nc(-c2ccc(Br)cc2F)n[nH]1 ZINC000583859615 566990862 /nfs/dbraw/zinc/99/08/62/566990862.db2.gz RPOGKYHVZJMVIU-UHFFFAOYSA-N 0 2 399.220 3.045 10 0 GGAELN O=C(Nc1cc(I)ccc1O)c1cc(F)c(O)c(F)c1 ZINC000613022897 567011376 /nfs/dbraw/zinc/01/13/76/567011376.db2.gz OYUMDYVVVPHXSJ-UHFFFAOYSA-N 0 2 391.111 3.233 10 0 GGAELN CC(=O)N[C@H](CC(=O)N=c1nc(-c2sccc2C)[nH]s1)c1cccs1 ZINC000472255495 567012462 /nfs/dbraw/zinc/01/24/62/567012462.db2.gz FBDXAWIARGZMDZ-LLVKDONJSA-N 0 2 392.531 3.264 10 0 GGAELN Cc1cc(Br)cc(S(=O)(=O)Nc2cnn(C)c2C(F)F)c1 ZINC000681964796 567018373 /nfs/dbraw/zinc/01/83/73/567018373.db2.gz TYGWDDSLRSZXDX-UHFFFAOYSA-N 0 2 380.214 3.229 10 0 GGAELN COC(C)(C)c1nc(=NC(=O)c2scc(Br)c2C)s[nH]1 ZINC000634150561 567019966 /nfs/dbraw/zinc/01/99/66/567019966.db2.gz WTQFUHORMJMSQF-UHFFFAOYSA-N 0 2 376.301 3.226 10 0 GGAELN COC(C)(C)c1nc(=NC(=O)c2c[nH]c3cccc(Br)c32)s[nH]1 ZINC000634152017 567021601 /nfs/dbraw/zinc/02/16/01/567021601.db2.gz RPYFZPCUKMAMGY-UHFFFAOYSA-N 0 2 395.282 3.338 10 0 GGAELN O=S(=O)(Nc1noc(C2CC2)n1)c1cc(Br)cc2cccnc21 ZINC000521015543 567036773 /nfs/dbraw/zinc/03/67/73/567036773.db2.gz NYKRFSHPGWPCER-UHFFFAOYSA-N 0 2 395.238 3.059 10 0 GGAELN Cc1cc2sc(NS(=O)(=O)c3c(C(F)(F)F)cnn3C)nc2c(C)c1 ZINC000634655563 567043606 /nfs/dbraw/zinc/04/36/06/567043606.db2.gz WUWIOWAZYJHCRK-UHFFFAOYSA-N 0 2 390.412 3.466 10 0 GGAELN O=S(=O)(Nc1noc(C2CC2)n1)c1ccc(C(F)(F)C(F)(F)F)cc1 ZINC000634656723 567044464 /nfs/dbraw/zinc/04/44/64/567044464.db2.gz CQYJVPKTUIUUOV-UHFFFAOYSA-N 0 2 383.298 3.402 10 0 GGAELN COc1ccccc1S(=O)(=O)Nc1nnc(C(F)(F)C(F)(F)F)s1 ZINC000634659168 567046353 /nfs/dbraw/zinc/04/63/53/567046353.db2.gz AALDCQHPYLAWNG-UHFFFAOYSA-N 0 2 389.327 3.002 10 0 GGAELN Cn1ncc(C(F)(F)F)c1S(=O)(=O)Nc1nc2c(s1)CC(C)(C)CC2 ZINC000634658483 567046613 /nfs/dbraw/zinc/04/66/13/567046613.db2.gz KULNYBRNNGLZQY-UHFFFAOYSA-N 0 2 394.444 3.211 10 0 GGAELN Cc1cc(F)cc(S(=O)(=O)Nc2nnc(C(F)(F)C(F)(F)F)s2)c1 ZINC000634659525 567046839 /nfs/dbraw/zinc/04/68/39/567046839.db2.gz YXCTXSPZWVQRBB-UHFFFAOYSA-N 0 2 391.318 3.441 10 0 GGAELN O=S(=O)(Nc1ncc(-c2cccnc2)s1)c1cnn(C2CCCC2)c1 ZINC000634658077 567046872 /nfs/dbraw/zinc/04/68/72/567046872.db2.gz PGVOGXCKADBADW-UHFFFAOYSA-N 0 2 375.479 3.318 10 0 GGAELN C[C@@H]1C[C@H]1c1nnc(NS(=O)(=O)c2cccc(Br)c2Cl)o1 ZINC000634661882 567047516 /nfs/dbraw/zinc/04/75/16/567047516.db2.gz CUPDVNSTXYBWGC-RNFRBKRXSA-N 0 2 392.662 3.410 10 0 GGAELN C[C@H]1C[C@H]1c1nnc(NS(=O)(=O)c2cc(Cl)cc(Br)c2)o1 ZINC000634662459 567047998 /nfs/dbraw/zinc/04/79/98/567047998.db2.gz NGNSXIXCTKVGOH-QUBYGPBYSA-N 0 2 392.662 3.410 10 0 GGAELN COc1ccc(S(=O)(=O)Nc2nnc(C(F)(F)C(F)(F)F)s2)cc1 ZINC000634659547 567048215 /nfs/dbraw/zinc/04/82/15/567048215.db2.gz ZXZXBFLDFKVRMT-UHFFFAOYSA-N 0 2 389.327 3.002 10 0 GGAELN CC(=O)Nc1ccc(S(=O)(=O)Nc2ccnn2CC2CCC2)cc1Cl ZINC000634664158 567050586 /nfs/dbraw/zinc/05/05/86/567050586.db2.gz QLCOLNTZUCMBBG-UHFFFAOYSA-N 0 2 382.873 3.096 10 0 GGAELN Cc1nc2ccc(S(=O)(=O)Nc3nnc([C@H]4CCCO4)s3)cc2s1 ZINC000634664853 567051766 /nfs/dbraw/zinc/05/17/66/567051766.db2.gz ORPRIJVEKUSIFM-LLVKDONJSA-N 0 2 382.492 3.109 10 0 GGAELN CCc1cc(S(=O)(=O)Nc2nnc([C@@H]3CCCO3)s2)c(C)cc1OC ZINC000634664869 567051878 /nfs/dbraw/zinc/05/18/78/567051878.db2.gz OYGKVPLWWUYUMI-LBPRGKRZSA-N 0 2 383.495 3.070 10 0 GGAELN Cc1nc2ccc(S(=O)(=O)Nc3nnc([C@@H]4CCCO4)s3)cc2s1 ZINC000634664854 567052430 /nfs/dbraw/zinc/05/24/30/567052430.db2.gz ORPRIJVEKUSIFM-NSHDSACASA-N 0 2 382.492 3.109 10 0 GGAELN COc1ccc2nc(NS(=O)(=O)c3cn4c(n3)CCC[C@H]4C)sc2c1 ZINC000521361234 567056447 /nfs/dbraw/zinc/05/64/47/567056447.db2.gz YECOIMDXUFSCKJ-SNVBAGLBSA-N 0 2 378.479 3.200 10 0 GGAELN Cc1nc(NC(=O)Cc2ccc(NS(=O)(=O)c3cccs3)cc2)cs1 ZINC000495461957 567060510 /nfs/dbraw/zinc/06/05/10/567060510.db2.gz BZXPTKUMTFGHSO-UHFFFAOYSA-N 0 2 393.515 3.495 10 0 GGAELN CO[C@@H]1CCC[C@@H]([C@@H](CO)[NH2+]Cc2c[nH+]c3c(C)cc(Br)cn23)C1 ZINC000657577076 567072972 /nfs/dbraw/zinc/07/29/72/567072972.db2.gz OKXCFHTUWLRGGA-KBRIMQKVSA-N 0 2 396.329 3.061 10 0 GGAELN C[C@@H]1CCCc2nc(S(=O)(=O)Nc3ncc(-c4cccnc4)s3)cn21 ZINC000565587702 567080645 /nfs/dbraw/zinc/08/06/45/567080645.db2.gz NINLCLDINLVCTB-LLVKDONJSA-N 0 2 375.479 3.100 10 0 GGAELN COC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)c(F)c2Cl)cn1 ZINC000473487117 567085159 /nfs/dbraw/zinc/08/51/59/567085159.db2.gz GIFQKYHFLYAKBD-UHFFFAOYSA-N 0 2 379.196 3.115 10 0 GGAELN COC(=O)c1cc(Cl)cc(NS(=O)(=O)c2cc(C)sc2C)c1O ZINC000586750734 567092527 /nfs/dbraw/zinc/09/25/27/567092527.db2.gz ONSYGDHOEBCGKR-UHFFFAOYSA-N 0 2 375.855 3.311 10 0 GGAELN O=S(=O)(Nc1ncc(C(F)(F)F)s1)c1cccnc1C(F)(F)F ZINC000522030472 567095416 /nfs/dbraw/zinc/09/54/16/567095416.db2.gz KCSDOAMINCEKJU-UHFFFAOYSA-N 0 2 377.291 3.377 10 0 GGAELN CCC(=O)Nc1ccc(S(=O)(=O)Nc2ncc(C(F)(F)F)s2)cc1 ZINC000473756429 567101038 /nfs/dbraw/zinc/10/10/38/567101038.db2.gz AYUMAVXOUQSVOU-UHFFFAOYSA-N 0 2 379.385 3.311 10 0 GGAELN CCOC(=O)c1ccc(S(=O)(=O)Nc2ncc(C(F)(F)F)s2)cc1 ZINC000473757823 567101610 /nfs/dbraw/zinc/10/16/10/567101610.db2.gz WADFXFDBOJHUKT-UHFFFAOYSA-N 0 2 380.369 3.139 10 0 GGAELN COC(=O)c1ccc(C)c(S(=O)(=O)Nc2ncc(C(F)(F)F)s2)c1 ZINC000473757443 567102049 /nfs/dbraw/zinc/10/20/49/567102049.db2.gz GEVKLMLRSIEZTH-UHFFFAOYSA-N 0 2 380.369 3.058 10 0 GGAELN O=C(c1c(O)cc(F)cc1F)N(CCO)Cc1cc(Br)cs1 ZINC000683182860 567102846 /nfs/dbraw/zinc/10/28/46/567102846.db2.gz NKQRLSNTDAWNDG-UHFFFAOYSA-N 0 2 392.221 3.129 10 0 GGAELN Cc1ccsc1-c1nc(=NC(=O)NCCOc2ccc(Cl)cn2)s[nH]1 ZINC000473823404 567104227 /nfs/dbraw/zinc/10/42/27/567104227.db2.gz LOBDKBIPXIAUNG-UHFFFAOYSA-N 0 2 395.897 3.246 10 0 GGAELN Cc1ccsc1-c1nc(=NC(=O)NCC2([C@H](C)CCO)CCC2)s[nH]1 ZINC000473838316 567106939 /nfs/dbraw/zinc/10/69/39/567106939.db2.gz WQMACKIECISSDD-GFCCVEGCSA-N 0 2 380.539 3.307 10 0 GGAELN O=C(N=c1ncn(Cc2ccccc2)[nH]1)NCc1ccc(Cl)cc1Cl ZINC000588253370 567123753 /nfs/dbraw/zinc/12/37/53/567123753.db2.gz SHDJFCSVHUJQKA-UHFFFAOYSA-N 0 2 376.247 3.377 10 0 GGAELN O=S(=O)(Nc1cnn(-c2ncccn2)c1)c1csc2ccc(Cl)cc21 ZINC000432185011 567138078 /nfs/dbraw/zinc/13/80/78/567138078.db2.gz FZMPZWUYLCOIIQ-UHFFFAOYSA-N 0 2 391.865 3.331 10 0 GGAELN CO[C@H](C)c1cccc(NS(=O)(=O)c2ccc([C@H](C)NC(C)=O)s2)c1 ZINC000588833053 567139597 /nfs/dbraw/zinc/13/95/97/567139597.db2.gz FPMLPAIITHUNGI-NWDGAFQWSA-N 0 2 382.507 3.453 10 0 GGAELN CC(C)CCn1nccc1NS(=O)(=O)c1cc2c(cc1Cl)OCCO2 ZINC000683713542 567147596 /nfs/dbraw/zinc/14/75/96/567147596.db2.gz JHGGNMGRKOZLOQ-UHFFFAOYSA-N 0 2 385.873 3.155 10 0 GGAELN CO[C@H](CS(=O)(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCCO1)C1CC1 ZINC000566561593 567167780 /nfs/dbraw/zinc/16/77/80/567167780.db2.gz KDFDROXEFXFERB-WMLDXEAASA-N 0 2 389.901 3.065 10 0 GGAELN COCc1csc(NS(=O)(=O)c2ccc(NC(=O)C(C)(C)C)cc2)n1 ZINC000523773841 567171321 /nfs/dbraw/zinc/17/13/21/567171321.db2.gz JNMSNVOPJJGXAD-UHFFFAOYSA-N 0 2 383.495 3.075 10 0 GGAELN Cc1cc(F)ccc1S(=O)(=O)Nc1nc2cc3c(cc2s1)OCCO3 ZINC000589267140 567172137 /nfs/dbraw/zinc/17/21/37/567172137.db2.gz XPJLRXJNHJKRHU-UHFFFAOYSA-N 0 2 380.422 3.316 10 0 GGAELN Cc1nc(S(=O)(=O)Nc2ccc(OCc3ccccn3)c(Cl)c2)c[nH]1 ZINC000589436219 567178016 /nfs/dbraw/zinc/17/80/16/567178016.db2.gz HKXQJFWQLRUHTI-UHFFFAOYSA-N 0 2 378.841 3.146 10 0 GGAELN Cc1noc([C@@H]2CCCCN2C(=O)N=c2nc(-c3ccsc3)[nH]s2)n1 ZINC000566697092 567181862 /nfs/dbraw/zinc/18/18/62/567181862.db2.gz KOKLOVJTRXIEFE-NSHDSACASA-N 0 2 376.467 3.139 10 0 GGAELN Cc1ccc(Br)c(S(=O)(=O)Nc2cc([C@@H]3CCCO3)[nH]n2)c1 ZINC000566772599 567187950 /nfs/dbraw/zinc/18/79/50/567187950.db2.gz UXKPLYGUDSKIMR-LBPRGKRZSA-N 0 2 386.271 3.133 10 0 GGAELN CC1(C)CC[C@@H](C(=O)N=c2ccc(-c3ccc(Br)s3)n[nH]2)O1 ZINC000566772760 567188222 /nfs/dbraw/zinc/18/82/22/567188222.db2.gz DYFWYENPFWSGHW-JTQLQIEISA-N 0 2 382.283 3.286 10 0 GGAELN COc1cc(C)c(S(=O)(=O)Nc2cc(-c3ccncc3)n[nH]2)cc1Cl ZINC000432951579 567207803 /nfs/dbraw/zinc/20/78/03/567207803.db2.gz VNVVWMMDTPWXMV-UHFFFAOYSA-N 0 2 378.841 3.243 10 0 GGAELN COc1cc(C)c(S(=O)(=O)Nc2cc(-c3ccncc3)[nH]n2)cc1Cl ZINC000432951579 567207812 /nfs/dbraw/zinc/20/78/12/567207812.db2.gz VNVVWMMDTPWXMV-UHFFFAOYSA-N 0 2 378.841 3.243 10 0 GGAELN C[C@@H](NC(=O)N=c1ccc(-c2ccccc2)n[nH]1)c1ncc(Br)cn1 ZINC000433038096 567217688 /nfs/dbraw/zinc/21/76/88/567217688.db2.gz HYODTUGOHHNRPU-LLVKDONJSA-N 0 2 399.252 3.001 10 0 GGAELN C[NH+](C)c1ccc(NS(=O)(=O)c2cccc(Br)c2)c(C(=O)[O-])c1 ZINC000547547893 567219063 /nfs/dbraw/zinc/21/90/63/567219063.db2.gz WWXQEOLMFKLWBQ-UHFFFAOYSA-N 0 2 399.266 3.014 10 0 GGAELN O=S(=O)(Nc1cc([C@H]2CCCO2)[nH]n1)c1ccc(CC(F)(F)F)cc1 ZINC000684608912 567221149 /nfs/dbraw/zinc/22/11/49/567221149.db2.gz SWKXUOXLWYFIBN-CYBMUJFWSA-N 0 2 375.372 3.167 10 0 GGAELN CCSCc1cccc(NS(=O)(=O)c2ccccc2S(C)(=O)=O)c1 ZINC000525013027 567225883 /nfs/dbraw/zinc/22/58/83/567225883.db2.gz MYJVIUSCAFUXLL-UHFFFAOYSA-N 0 2 385.532 3.144 10 0 GGAELN NC(=O)c1cccc(S(=O)(=O)Nc2ccc(-c3ccc(Cl)s3)cn2)c1 ZINC000433143676 567228037 /nfs/dbraw/zinc/22/80/37/567228037.db2.gz ZYBPEQROALSTSK-UHFFFAOYSA-N 0 2 393.877 3.363 10 0 GGAELN Cc1cc(NS(=O)(=O)c2cc3c(cc2Cl)OCCO3)cc2[nH]ncc21 ZINC000499266117 567233440 /nfs/dbraw/zinc/23/34/40/567233440.db2.gz MPBCLOWSYVUCPC-UHFFFAOYSA-N 0 2 379.825 3.097 10 0 GGAELN COC(=O)c1ccc(S(=O)(=O)Nc2cnn(CC(C)C)c2C(C)C)s1 ZINC000499295456 567236569 /nfs/dbraw/zinc/23/65/69/567236569.db2.gz HSNXIIFIOVOBNR-UHFFFAOYSA-N 0 2 385.511 3.311 10 0 GGAELN COC(=O)c1ccc(S(=O)(=O)Nc2cc3n[nH]cc3c(C)c2)c(Cl)c1 ZINC000499296620 567236707 /nfs/dbraw/zinc/23/67/07/567236707.db2.gz RGAQTRANEJRXRT-UHFFFAOYSA-N 0 2 379.825 3.112 10 0 GGAELN CC[C@@H](COCC(F)(F)F)NC(=O)N=c1nc(-c2ccsc2)[nH]s1 ZINC000455136607 567236638 /nfs/dbraw/zinc/23/66/38/567236638.db2.gz ICWGZIJSIACOEM-VIFPVBQESA-N 0 2 380.417 3.168 10 0 GGAELN CCc1noc(C)c1CNC(=O)N=c1nc(-c2cccc(Cl)c2)[nH]s1 ZINC000455136578 567237268 /nfs/dbraw/zinc/23/72/68/567237268.db2.gz HZDVUQINQOHYFY-UHFFFAOYSA-N 0 2 377.857 3.461 10 0 GGAELN CC[C@H](COCC(F)(F)F)NC(=O)N=c1nc(-c2sccc2C)[nH]s1 ZINC000455143703 567238336 /nfs/dbraw/zinc/23/83/36/567238336.db2.gz DZVOXNGFFUWBAG-SECBINFHSA-N 0 2 394.444 3.476 10 0 GGAELN COc1ccc(Cl)c(S(=O)(=O)Nc2cc(C)nn2C2CCOCC2)c1 ZINC000433374510 567245831 /nfs/dbraw/zinc/24/58/31/567245831.db2.gz MPRKVSVEQJLCDI-UHFFFAOYSA-N 0 2 385.873 3.006 10 0 GGAELN COc1ccc(S(=O)(=O)Nc2cc(C)nn2C2CCOCC2)cc1Cl ZINC000433398678 567247766 /nfs/dbraw/zinc/24/77/66/567247766.db2.gz GUMGKWPJUUEMBE-UHFFFAOYSA-N 0 2 385.873 3.006 10 0 GGAELN Cc1cc(NS(=O)(=O)c2cc(C)c(F)cc2Cl)n(C2CCOCC2)n1 ZINC000433397646 567247829 /nfs/dbraw/zinc/24/78/29/567247829.db2.gz JAOIROJBFQPXOW-UHFFFAOYSA-N 0 2 387.864 3.445 10 0 GGAELN O=C(N[C@@H]1CCN(c2ccc(Br)cc2)C1)c1c(O)cc(F)cc1F ZINC000590815643 567249341 /nfs/dbraw/zinc/24/93/41/567249341.db2.gz BRSLQSYJKSXSPM-GFCCVEGCSA-N 0 2 397.219 3.442 10 0 GGAELN O=C(N[C@@H]1CCO[C@H](c2ccncc2)C1)c1cc(Br)c(F)cc1O ZINC000567563483 567256493 /nfs/dbraw/zinc/25/64/93/567256493.db2.gz IWJOBRGMDLWXNT-BZNIZROVSA-N 0 2 395.228 3.339 10 0 GGAELN CCC1CCC(N(CCO)C(=O)N=c2nc(-c3ccsc3)[nH]s2)CC1 ZINC000567569271 567258402 /nfs/dbraw/zinc/25/84/02/567258402.db2.gz UCVPNUZQBXCLLP-UHFFFAOYSA-N 0 2 380.539 3.484 10 0 GGAELN Cc1nc(C)c(S(=O)(=O)[N-]c2nc3c(s2)C[N@@H+](C(C)(C)C)CC3)s1 ZINC000567661957 567265562 /nfs/dbraw/zinc/26/55/62/567265562.db2.gz YGONSLARQIINPV-UHFFFAOYSA-N 0 2 386.568 3.174 10 0 GGAELN Cc1nc(C)c(S(=O)(=O)[N-]c2nc3c(s2)C[N@H+](C(C)(C)C)CC3)s1 ZINC000567661957 567265567 /nfs/dbraw/zinc/26/55/67/567265567.db2.gz YGONSLARQIINPV-UHFFFAOYSA-N 0 2 386.568 3.174 10 0 GGAELN CC(=O)Nc1ccc(C(=O)N=c2nc(-c3sccc3C)[nH]s2)cc1F ZINC000433869790 567280497 /nfs/dbraw/zinc/28/04/97/567280497.db2.gz UBJHNQSSHPDOJU-UHFFFAOYSA-N 0 2 376.438 3.347 10 0 GGAELN CNC(=O)c1cc2cc(NS(=O)(=O)c3c(F)cccc3Cl)ccc2[nH]1 ZINC000475837003 567282221 /nfs/dbraw/zinc/28/22/21/567282221.db2.gz UVCBEEVGBOUISK-UHFFFAOYSA-N 0 2 381.816 3.121 10 0 GGAELN CCOc1cc(Br)c(F)cc1NS(=O)(=O)C[C@H](OC)C1CC1 ZINC000567870673 567286805 /nfs/dbraw/zinc/28/68/05/567286805.db2.gz IYSMESBPHAJTJD-AWEZNQCLSA-N 0 2 396.278 3.154 10 0 GGAELN O=S(=O)(Nc1cnc(CC2CC2)nc1)c1ccc(F)c(C(F)(F)F)c1 ZINC000568027849 567298121 /nfs/dbraw/zinc/29/81/21/567298121.db2.gz DMHAZZQVACFYRK-UHFFFAOYSA-N 0 2 375.347 3.388 10 0 GGAELN Cc1ccsc1-c1nc(=NC(=O)NCCOCC(F)(F)C(F)F)s[nH]1 ZINC000434222243 567300627 /nfs/dbraw/zinc/30/06/27/567300627.db2.gz GYMCQAWRQFNOSA-UHFFFAOYSA-N 0 2 398.407 3.035 10 0 GGAELN COCc1cc(Cl)cc(S(=O)(=O)Nc2ccc(C(F)(F)F)nn2)c1 ZINC000685912862 567310825 /nfs/dbraw/zinc/31/08/25/567310825.db2.gz DKXXZTCTQHVSBE-UHFFFAOYSA-N 0 2 381.763 3.096 10 0 GGAELN COc1cc(OC)c(S(=O)(=O)Nc2nc(C(C)C)c(C)s2)c(OC)c1 ZINC000568259353 567315239 /nfs/dbraw/zinc/31/52/39/567315239.db2.gz DNNRRTNQUKGTQX-UHFFFAOYSA-N 0 2 386.495 3.402 10 0 GGAELN CCO[C@@H]1C[C@@H](NC(=O)N=c2nc(-c3sccc3C)[nH]s2)[C@@H]1SC ZINC000592248985 567324855 /nfs/dbraw/zinc/32/48/55/567324855.db2.gz GFXOOLNBUGYOSZ-FOGDFJRCSA-N 0 2 384.552 3.027 10 0 GGAELN COc1cncc(S(=O)(=O)Nc2ncc(Cc3ccc(F)cc3)s2)c1 ZINC000500482821 567325712 /nfs/dbraw/zinc/32/57/12/567325712.db2.gz LYILDYNHKFDCEA-UHFFFAOYSA-N 0 2 379.438 3.077 10 0 GGAELN COCCCCS(=O)(=O)N[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F ZINC000476518112 567331298 /nfs/dbraw/zinc/33/12/98/567331298.db2.gz RIRCOWQNSADDEU-LBPRGKRZSA-N 0 2 391.358 3.237 10 0 GGAELN COCCCCS(=O)(=O)N[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F ZINC000476518098 567331353 /nfs/dbraw/zinc/33/13/53/567331353.db2.gz RIRCOWQNSADDEU-GFCCVEGCSA-N 0 2 391.358 3.237 10 0 GGAELN CCOC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2[nH]nc(C(C)C)c2C)c1 ZINC000592385090 567335351 /nfs/dbraw/zinc/33/53/51/567335351.db2.gz QICJHEOMLUNCOU-UHFFFAOYSA-N 0 2 385.873 3.472 10 0 GGAELN COC(=O)c1nc(NS(=O)(=O)CCCC2CCOCC2)sc1C(C)C ZINC000592384402 567335421 /nfs/dbraw/zinc/33/54/21/567335421.db2.gz ZTDXGNVQQSFBQD-UHFFFAOYSA-N 0 2 390.527 3.002 10 0 GGAELN CCc1ccc(S(=O)(=O)Nc2cc(C)nn2-c2cc(C)nc(C)n2)s1 ZINC000435199484 567346858 /nfs/dbraw/zinc/34/68/58/567346858.db2.gz YCFPSIJODPLUGO-UHFFFAOYSA-N 0 2 377.495 3.012 10 0 GGAELN O=C(NCC1CCCCC1)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000476722606 567347076 /nfs/dbraw/zinc/34/70/76/567347076.db2.gz JQOPAYWHNMHJLQ-UHFFFAOYSA-N 0 2 379.507 3.254 10 0 GGAELN COCc1ccccc1CS(=O)(=O)Nc1nnc(-c2ccccc2)s1 ZINC000568795118 567357694 /nfs/dbraw/zinc/35/76/94/567357694.db2.gz BXWKPLOSSBWCOT-UHFFFAOYSA-N 0 2 375.475 3.293 10 0 GGAELN C[C@@H]1Cc2cc(S(=O)(=O)Nc3nc4cc(Cl)ccc4n3C)ccc2O1 ZINC000592974857 567375973 /nfs/dbraw/zinc/37/59/73/567375973.db2.gz IVBGONWUJUEIQZ-SNVBAGLBSA-N 0 2 377.853 3.351 10 0 GGAELN COC(=O)Cc1csc(NS(=O)(=O)Cc2ccc(Cl)cc2Cl)n1 ZINC000618601417 567402542 /nfs/dbraw/zinc/40/25/42/567402542.db2.gz XPPZHQYJMHHQBP-UHFFFAOYSA-N 0 2 395.289 3.107 10 0 GGAELN CC(C)(CN=c1[nH]nc(Cc2ccc(Cl)cc2)s1)C(=O)N1CCCC1 ZINC000528217672 567402467 /nfs/dbraw/zinc/40/24/67/567402467.db2.gz INQFARYVBYXEIZ-UHFFFAOYSA-N 0 2 378.929 3.265 10 0 GGAELN O=C(c1[nH]c2ccc(Cl)cc2c1Cl)N1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000549768908 567409341 /nfs/dbraw/zinc/40/93/41/567409341.db2.gz MZCZNLQENLRCMQ-QMMMGPOBSA-N 0 2 380.235 3.318 10 0 GGAELN CCOc1c(Cl)cc(CNc2nnc(-c3c[nH]nc3C)s2)cc1OC ZINC000436159635 567409837 /nfs/dbraw/zinc/40/98/37/567409837.db2.gz WKELJBHTNHOEKL-UHFFFAOYSA-N 0 2 379.873 3.331 10 0 GGAELN C[C@@H](NC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1)C1CCCC1 ZINC000456772697 567416933 /nfs/dbraw/zinc/41/69/33/567416933.db2.gz AICVXTJUFOFQMY-GFCCVEGCSA-N 0 2 379.507 3.252 10 0 GGAELN CC(C)[C@H](C)CNC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1O ZINC000436534177 567432153 /nfs/dbraw/zinc/43/21/53/567432153.db2.gz ZXYZKJKOMLFCTQ-GFCCVEGCSA-N 0 2 382.507 3.276 10 0 GGAELN O=C(NC[C@@H](O)Cc1ccccc1)c1cc(Cl)cc(Br)c1O ZINC000436641133 567440599 /nfs/dbraw/zinc/44/05/99/567440599.db2.gz SZPJPFRQHRTKOM-LBPRGKRZSA-N 0 2 384.657 3.142 10 0 GGAELN CCS(=O)(=O)c1ccc([C@H](C)NC(=O)c2cc(F)c(O)c(Cl)c2)cc1 ZINC000436732069 567446887 /nfs/dbraw/zinc/44/68/87/567446887.db2.gz BWMVMZVMDIKMRZ-JTQLQIEISA-N 0 2 385.844 3.469 10 0 GGAELN O=C(COc1ccsc1)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000502989751 567463942 /nfs/dbraw/zinc/46/39/42/567463942.db2.gz IKPSQHOADLWTNW-UHFFFAOYSA-N 0 2 395.487 3.023 10 0 GGAELN Cc1nc(NC(=O)c2c(O)cc(F)cc2F)ccc1I ZINC000619619920 567469670 /nfs/dbraw/zinc/46/96/70/567469670.db2.gz MXGIMLLZIWRDQU-UHFFFAOYSA-N 0 2 390.127 3.231 10 0 GGAELN Cc1cc(S(=O)(=O)NC(=O)[C@@H]2[C@@H]3Cc4c(cccc4Cl)[C@@H]32)c(C)s1 ZINC000528939396 567470199 /nfs/dbraw/zinc/47/01/99/567470199.db2.gz NSHDYAMSFZKRGU-UHOFOFEASA-N 0 2 381.906 3.409 10 0 GGAELN Cc1cc(NC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2O)sn1 ZINC000436972718 567470615 /nfs/dbraw/zinc/47/06/15/567470615.db2.gz PLTBOKTZUDVYTJ-UHFFFAOYSA-N 0 2 395.487 3.272 10 0 GGAELN O=S(=O)(Nc1cnc(CC2CC2)nc1)c1ccc(F)cc1C(F)(F)F ZINC000551037777 567473721 /nfs/dbraw/zinc/47/37/21/567473721.db2.gz SQLVKHIHZLCYNU-UHFFFAOYSA-N 0 2 375.347 3.388 10 0 GGAELN CCOC(=O)CCN(C(=O)c1cc(Br)c(F)cc1O)C(C)C ZINC000594409142 567474147 /nfs/dbraw/zinc/47/41/47/567474147.db2.gz PHQUEODXWSJDAL-UHFFFAOYSA-N 0 2 376.222 3.098 10 0 GGAELN Cc1ccc(S(=O)(=O)Nc2cc([C@@H]3CCCO3)[nH]n2)c(Br)c1 ZINC000570338814 567476399 /nfs/dbraw/zinc/47/63/99/567476399.db2.gz UWYGJKKOXGKMBE-LBPRGKRZSA-N 0 2 386.271 3.133 10 0 GGAELN O=C(N=c1ccc(C2CC2)n[nH]1)NCc1cc(F)c(Br)cc1F ZINC000529018026 567477936 /nfs/dbraw/zinc/47/79/36/567477936.db2.gz CWAVJUAGUXUZMR-UHFFFAOYSA-N 0 2 383.196 3.138 10 0 GGAELN O=C(N=c1nc(-c2ccsc2)[nH]s1)N1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000570407222 567481870 /nfs/dbraw/zinc/48/18/70/567481870.db2.gz IJVBSJXLNIRLJS-MJBXVCDLSA-N 0 2 378.523 3.236 10 0 GGAELN Cc1sc(Br)cc1S(=O)(=O)Nc1cn(C)nc1C1CC1 ZINC000642892345 567488996 /nfs/dbraw/zinc/48/89/96/567488996.db2.gz PIXVNWJYQUQURN-UHFFFAOYSA-N 0 2 376.301 3.231 10 0 GGAELN Cc1cn(C)nc1NS(=O)(=O)c1cc(Br)cc(C(F)(F)F)c1 ZINC000663264019 567489258 /nfs/dbraw/zinc/48/92/58/567489258.db2.gz HEWBUDZSQRFKIJ-UHFFFAOYSA-N 0 2 398.204 3.311 10 0 GGAELN O=C(N=c1nc(-c2ccsc2)[nH]s1)N1CC[C@H](n2cc(Cl)cn2)C1 ZINC000570488552 567489423 /nfs/dbraw/zinc/48/94/23/567489423.db2.gz DMNHHKBIFKXPOS-NSHDSACASA-N 0 2 380.886 3.017 10 0 GGAELN CCOc1ccc(NS(=O)(=O)c2cc(Cl)c(OC)cc2OC)nc1C ZINC000663301391 567493041 /nfs/dbraw/zinc/49/30/41/567493041.db2.gz JGLULNIMDXFPRS-UHFFFAOYSA-N 0 2 386.857 3.260 10 0 GGAELN CCOc1ccc(NS(=O)(=O)c2ccccc2OC(F)(F)F)nc1C ZINC000663301646 567493518 /nfs/dbraw/zinc/49/35/18/567493518.db2.gz MWGNZUPHZFMVPA-UHFFFAOYSA-N 0 2 376.356 3.488 10 0 GGAELN CCS(=O)(=O)c1ccc(S(=O)(=O)Nc2ncc(C(C)(C)C)s2)cc1 ZINC000437334347 567493582 /nfs/dbraw/zinc/49/35/82/567493582.db2.gz RGAZEMWWWNDEPE-UHFFFAOYSA-N 0 2 388.536 3.035 10 0 GGAELN C[C@H]1C[N@H+](Cc2c(Br)cccc2C(=O)[O-])C[C@](C)(C(F)F)O1 ZINC000663318628 567496774 /nfs/dbraw/zinc/49/67/74/567496774.db2.gz WTLLIHYQEKSNIJ-BJOHPYRUSA-N 0 2 378.213 3.392 10 0 GGAELN C[C@H]1C[N@@H+](Cc2c(Br)cccc2C(=O)[O-])C[C@](C)(C(F)F)O1 ZINC000663318628 567496780 /nfs/dbraw/zinc/49/67/80/567496780.db2.gz WTLLIHYQEKSNIJ-BJOHPYRUSA-N 0 2 378.213 3.392 10 0 GGAELN CCc1ccc(C[N@@H+]2Cc3cccc(Br)c3C[C@@H]2C(=O)[O-])nc1 ZINC000570638919 567502603 /nfs/dbraw/zinc/50/26/03/567502603.db2.gz LRFHEFXPRXJOLQ-QGZVFWFLSA-N 0 2 375.266 3.418 10 0 GGAELN CCc1ccc(C[N@H+]2Cc3cccc(Br)c3C[C@@H]2C(=O)[O-])nc1 ZINC000570638919 567502607 /nfs/dbraw/zinc/50/26/07/567502607.db2.gz LRFHEFXPRXJOLQ-QGZVFWFLSA-N 0 2 375.266 3.418 10 0 GGAELN COC(=O)c1ccc(S(=O)(=O)Nc2nnc(CCC(C)C)s2)cc1C ZINC000594725714 567502946 /nfs/dbraw/zinc/50/29/46/567502946.db2.gz HBAQEGQWGLZSQB-UHFFFAOYSA-N 0 2 383.495 3.023 10 0 GGAELN CCOc1ccc(NS(=O)(=O)c2cnc3n2CCC3)c(C(F)(F)F)c1 ZINC000437674055 567504807 /nfs/dbraw/zinc/50/48/07/567504807.db2.gz ZKUXFQDFGANPLY-UHFFFAOYSA-N 0 2 375.372 3.048 10 0 GGAELN CCOc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1cnc2n1CCC2 ZINC000437669302 567505075 /nfs/dbraw/zinc/50/50/75/567505075.db2.gz UVXSDAJRMSAXJM-UHFFFAOYSA-N 0 2 375.372 3.048 10 0 GGAELN O=S(=O)(Nc1nc(-c2cccs2)ns1)c1ccc2ncsc2c1 ZINC000479132540 567505801 /nfs/dbraw/zinc/50/58/01/567505801.db2.gz NUZZXBJRHVDNLY-UHFFFAOYSA-N 0 2 380.501 3.099 10 0 GGAELN COC[C@@](C)(NS(=O)(=O)c1cc(C)c(Br)s1)C(F)(F)F ZINC000479127422 567506506 /nfs/dbraw/zinc/50/65/06/567506506.db2.gz HMROSIRLYNCBRG-SECBINFHSA-N 0 2 396.250 3.065 10 0 GGAELN COC[C@](C)(NS(=O)(=O)c1sc(C)cc1Br)C(F)(F)F ZINC000479143629 567509167 /nfs/dbraw/zinc/50/91/67/567509167.db2.gz VIMJMWOQWOXBJW-VIFPVBQESA-N 0 2 396.250 3.065 10 0 GGAELN O=S(=O)(Nc1nnc(CC2CCCC2)o1)c1cnccc1C(F)(F)F ZINC000570895763 567521496 /nfs/dbraw/zinc/52/14/96/567521496.db2.gz OEYQVZFZSRTQOQ-UHFFFAOYSA-N 0 2 376.360 3.017 10 0 GGAELN CC1(c2nc(=NC(=O)Cc3c(F)ccc(Br)c3F)s[nH]2)CC1 ZINC000529695662 567540440 /nfs/dbraw/zinc/54/04/40/567540440.db2.gz CBDOFIVVJNALPN-UHFFFAOYSA-N 0 2 388.237 3.233 10 0 GGAELN CC1(c2nc(=NC(=O)C3(c4ccccc4Br)CC3)s[nH]2)CC1 ZINC000529697148 567541012 /nfs/dbraw/zinc/54/10/12/567541012.db2.gz GZHPTPKSFJZFDM-UHFFFAOYSA-N 0 2 378.295 3.444 10 0 GGAELN Cn1cc([C@@H](NC(=O)N=c2nc(-c3ccsc3)[nH]s2)C(C)(C)C)cn1 ZINC000571152509 567541497 /nfs/dbraw/zinc/54/14/97/567541497.db2.gz YRPVBJPIIFHWHY-GFCCVEGCSA-N 0 2 376.511 3.331 10 0 GGAELN CC1(c2nc(=NC(=O)c3cc(N4CCCC4=O)ccc3Cl)s[nH]2)CC1 ZINC000529700005 567541573 /nfs/dbraw/zinc/54/15/73/567541573.db2.gz WLYDIHLVIXWJGS-UHFFFAOYSA-N 0 2 376.869 3.044 10 0 GGAELN CC1(c2nc(=NC(=O)[C@H]3CCc4cc(Br)ccc43)s[nH]2)CC1 ZINC000529701170 567541858 /nfs/dbraw/zinc/54/18/58/567541858.db2.gz NBCCCJSXMLSWII-LBPRGKRZSA-N 0 2 378.295 3.443 10 0 GGAELN O=C(c1cc(Br)c(F)cc1O)N1CCO[C@@H](CC(F)(F)F)C1 ZINC000620781253 567542521 /nfs/dbraw/zinc/54/25/21/567542521.db2.gz QQXYMNGPHYLUBZ-ZETCQYMHSA-N 0 2 386.139 3.087 10 0 GGAELN CC1(c2nc(=NC(=O)C3(c4cccc(Cl)c4)CCOCC3)s[nH]2)CC1 ZINC000529704161 567543082 /nfs/dbraw/zinc/54/30/82/567543082.db2.gz MSDJOJXTBPUEIV-UHFFFAOYSA-N 0 2 377.897 3.352 10 0 GGAELN OC[C@H](CNc1nc(C(F)(F)F)ns1)Cc1ccc(C(F)(F)F)cc1 ZINC000571189705 567543795 /nfs/dbraw/zinc/54/37/95/567543795.db2.gz UUXFJGYTSCIASE-VIFPVBQESA-N 0 2 385.333 3.261 10 0 GGAELN CC1(C)CC(CC(=O)Nc2ccc(S(=O)(=O)Nc3nncs3)cc2)C1 ZINC000551918663 567543774 /nfs/dbraw/zinc/54/37/74/567543774.db2.gz CDBPGDZPDJLZNQ-UHFFFAOYSA-N 0 2 380.495 3.104 10 0 GGAELN O=C(Nc1n[nH]c(-c2ccccc2Br)n1)c1c(O)cc(F)cc1F ZINC000620964971 567552787 /nfs/dbraw/zinc/55/27/87/567552787.db2.gz NFZYMHKLFHOTSK-UHFFFAOYSA-N 0 2 395.163 3.470 10 0 GGAELN Cc1n[nH]cc1-c1nnc(NS(=O)(=O)c2ccc(Cl)cc2Cl)s1 ZINC000571359760 567555781 /nfs/dbraw/zinc/55/57/81/567555781.db2.gz MLSVGQJQZWUTIJ-UHFFFAOYSA-N 0 2 390.277 3.344 10 0 GGAELN C[C@@H]1CN(C(=O)c2cc(Br)c(F)cc2O)C[C@@](C)(C(F)F)O1 ZINC000621120023 567560306 /nfs/dbraw/zinc/56/03/06/567560306.db2.gz RUJFTAZNFFYYLO-UOWDBTKRSA-N 0 2 382.176 3.179 10 0 GGAELN COC(=O)COc1cccc(NS(=O)(=O)c2ccc(C(C)(C)C)s2)c1 ZINC000439038303 567561456 /nfs/dbraw/zinc/56/14/56/567561456.db2.gz FCYWOPWZRNURSV-UHFFFAOYSA-N 0 2 383.491 3.398 10 0 GGAELN Cc1nc2ccc(S(=O)(=O)Nc3[nH]nc(C(F)(F)F)c3C)cc2s1 ZINC000644634796 567567541 /nfs/dbraw/zinc/56/75/41/567567541.db2.gz XOZGTOIJZKVISK-UHFFFAOYSA-N 0 2 376.385 3.456 10 0 GGAELN Cc1nc2ccc(S(=O)(=O)Nc3n[nH]c(C(F)(F)F)c3C)cc2s1 ZINC000644634796 567567547 /nfs/dbraw/zinc/56/75/47/567567547.db2.gz XOZGTOIJZKVISK-UHFFFAOYSA-N 0 2 376.385 3.456 10 0 GGAELN CO[C@@H](C)CS(=O)(=O)Nc1csc(-c2ccc(Br)cc2)n1 ZINC000530142740 567573413 /nfs/dbraw/zinc/57/34/13/567573413.db2.gz CFOBFLOSJPQEON-VIFPVBQESA-N 0 2 391.312 3.349 10 0 GGAELN CO[C@H](C)CS(=O)(=O)Nc1csc(-c2ccc(Br)cc2)n1 ZINC000530142739 567573605 /nfs/dbraw/zinc/57/36/05/567573605.db2.gz CFOBFLOSJPQEON-SECBINFHSA-N 0 2 391.312 3.349 10 0 GGAELN COc1cc(F)c(F)cc1NS(=O)(=O)C[C@H](OC)c1ccc(F)cc1 ZINC000530136999 567573657 /nfs/dbraw/zinc/57/36/57/567573657.db2.gz AXKTZMORANHLMQ-INIZCTEOSA-N 0 2 375.368 3.242 10 0 GGAELN COc1cccc(OC(F)(F)F)c1S(=O)(=O)Nc1cnoc1C1CC1 ZINC000530137528 567573696 /nfs/dbraw/zinc/57/36/96/567573696.db2.gz JFENUJKMWYKANB-UHFFFAOYSA-N 0 2 378.328 3.260 10 0 GGAELN Cn1nc(C(F)(F)F)cc1S(=O)(=O)Nc1ccc(C(C)(C)C)cc1O ZINC000530137451 567573831 /nfs/dbraw/zinc/57/38/31/567573831.db2.gz FFHNMZYUVOZBKJ-UHFFFAOYSA-N 0 2 377.388 3.243 10 0 GGAELN COc1c(C)cc(Cl)cc1NS(=O)(=O)c1cnn(C2CCOCC2)c1 ZINC000530146982 567575123 /nfs/dbraw/zinc/57/51/23/567575123.db2.gz ULWMFDXWDFEPKI-UHFFFAOYSA-N 0 2 385.873 3.006 10 0 GGAELN CCCc1cc(NS(=O)(=O)c2c(OC)cccc2OC(F)(F)F)[nH]n1 ZINC000530155048 567576334 /nfs/dbraw/zinc/57/63/34/567576334.db2.gz YQYVDCXBCYFANC-UHFFFAOYSA-N 0 2 379.360 3.070 10 0 GGAELN COc1cccc(OC(F)(F)F)c1S(=O)(=O)Nc1ccc(C)nc1C ZINC000530154983 567576454 /nfs/dbraw/zinc/57/64/54/567576454.db2.gz WGQNZDNMBCQLPA-UHFFFAOYSA-N 0 2 376.356 3.406 10 0 GGAELN CCCc1csc(NS(=O)(=O)c2cc3c(cc2Cl)N(C(C)=O)CC3)n1 ZINC000530154175 567576769 /nfs/dbraw/zinc/57/67/69/567576769.db2.gz PTVRTZXMWJGUQX-UHFFFAOYSA-N 0 2 399.925 3.459 10 0 GGAELN CCCOc1cncc(NS(=O)(=O)c2cc3c(cc2Cl)OCCO3)c1 ZINC000530158441 567577371 /nfs/dbraw/zinc/57/73/71/567577371.db2.gz ZOVYWGLPZBBCCI-UHFFFAOYSA-N 0 2 384.841 3.096 10 0 GGAELN O=S(=O)(Nc1nnc([C@@H]2CCCc3ccccc32)s1)c1cscn1 ZINC000571643110 567577429 /nfs/dbraw/zinc/57/74/29/567577429.db2.gz ZLSJZHWUCWDPJU-GFCCVEGCSA-N 0 2 378.504 3.264 10 0 GGAELN CCn1nc(C)cc1NS(=O)(=O)c1cc(Cl)ccc1Br ZINC000530157309 567578530 /nfs/dbraw/zinc/57/85/30/567578530.db2.gz CSQZUXHKWYUDBO-UHFFFAOYSA-N 0 2 378.679 3.428 10 0 GGAELN CCn1nc(C)cc1NS(=O)(=O)c1cc(C)c(Br)cc1F ZINC000530158466 567578746 /nfs/dbraw/zinc/57/87/46/567578746.db2.gz RGNICYQVZGHMAZ-UHFFFAOYSA-N 0 2 376.251 3.222 10 0 GGAELN C[C@@H]1CC(C(=O)[O-])C[C@@H](C)[NH+]1CCS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000530175431 567580694 /nfs/dbraw/zinc/58/06/94/567580694.db2.gz GYSIIBCAUOIPCX-GHMZBOCLSA-N 0 2 394.320 3.341 10 0 GGAELN O=C(N=c1ccc(-c2ccc(Br)s2)n[nH]1)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000571672764 567581273 /nfs/dbraw/zinc/58/12/73/567581273.db2.gz FFORFAQECKYBMO-ILWJIGKKSA-N 0 2 379.283 3.310 10 0 GGAELN CC[C@@H](C)n1ncc(NS(=O)(=O)c2ccc(C(=O)OC)c(Cl)c2)c1C ZINC000480198365 567587652 /nfs/dbraw/zinc/58/76/52/567587652.db2.gz PCGMRHCKIUAUOO-SNVBAGLBSA-N 0 2 385.873 3.403 10 0 GGAELN COc1ccc(NS(=O)(=O)c2cnc3ccsc3c2)c(OC)c1OC ZINC000439568232 567593279 /nfs/dbraw/zinc/59/32/79/567593279.db2.gz GQTKXHPJIYSUAD-UHFFFAOYSA-N 0 2 380.447 3.123 10 0 GGAELN O=C(N=c1nc(-c2cccc(Cl)c2)[nH]s1)N1CCO[C@@]2(CCSC2)C1 ZINC000571915018 567597860 /nfs/dbraw/zinc/59/78/60/567597860.db2.gz RLPHBTWUSGZYKT-INIZCTEOSA-N 0 2 396.925 3.020 10 0 GGAELN COC(=O)c1csc(S(=O)(=O)Nc2ccc(O[C@H]3CC3(F)F)cc2)c1 ZINC000596020197 567599417 /nfs/dbraw/zinc/59/94/17/567599417.db2.gz FCHJJLLPNPOPMJ-LBPRGKRZSA-N 0 2 389.401 3.122 10 0 GGAELN CC(C)(C)C(C)(C)NC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000552749361 567607230 /nfs/dbraw/zinc/60/72/30/567607230.db2.gz FJEXKFHAYPOAIT-UHFFFAOYSA-N 0 2 381.523 3.498 10 0 GGAELN O=C(Cc1ccc(NS(=O)(=O)c2cccs2)cc1)N1CCCCCO1 ZINC000530523129 567607801 /nfs/dbraw/zinc/60/78/01/567607801.db2.gz NHCPNBNKKINPON-UHFFFAOYSA-N 0 2 380.491 3.036 10 0 GGAELN Cn1cc(C(C)(C)c2nc(-c3cc(F)c(O)c(Br)c3)no2)cn1 ZINC000621808553 567611556 /nfs/dbraw/zinc/61/15/56/567611556.db2.gz NLDNTQURMHXWTL-UHFFFAOYSA-N 0 2 381.205 3.403 10 0 GGAELN Oc1c(F)cc(-c2noc(C3(CF)CCOCC3)n2)cc1Br ZINC000621808663 567612234 /nfs/dbraw/zinc/61/22/34/567612234.db2.gz RQBSUOGWYQMYES-UHFFFAOYSA-N 0 2 375.169 3.362 10 0 GGAELN CO[C@H]1CC[C@H](C(=O)Nc2nc(-c3ccc(Br)cc3F)n[nH]2)C1 ZINC000621862351 567616513 /nfs/dbraw/zinc/61/65/13/567616513.db2.gz GLUZYHASIJYVRY-WPRPVWTQSA-N 0 2 383.221 3.127 10 0 GGAELN O=C(N=c1nc(-c2ccsc2)[nH]s1)N[C@H]1CCOC2(CCSCC2)C1 ZINC000572232445 567624525 /nfs/dbraw/zinc/62/45/25/567624525.db2.gz YCEDAUGHZYLCHA-LBPRGKRZSA-N 0 2 396.563 3.255 10 0 GGAELN Cc1cc(Br)cc(C)c1N1CCC[C@@H](Sc2n[nH]c(=O)[nH]2)C1=O ZINC000506416868 567625256 /nfs/dbraw/zinc/62/52/56/567625256.db2.gz PBFCXBVLBRFUGS-LLVKDONJSA-N 0 2 397.298 3.177 10 0 GGAELN CCCNC(=O)c1ccc(Cl)cc1NS(=O)(=O)N(CCC)CCC ZINC000530868397 567628397 /nfs/dbraw/zinc/62/83/97/567628397.db2.gz ZDUUFNLFKCLVGE-UHFFFAOYSA-N 0 2 375.922 3.259 10 0 GGAELN C[C@H](CN(C)C(=O)N=c1nc(-c2ccsc2)[nH]s1)C(=O)OC(C)(C)C ZINC000459496797 567630541 /nfs/dbraw/zinc/63/05/41/567630541.db2.gz YZPFWIRIKFNQSQ-SNVBAGLBSA-N 0 2 382.511 3.130 10 0 GGAELN C[C@@H]1CCCc2nc(S(=O)(=O)Nc3nnc(-c4ccc(Cl)s4)o3)cn21 ZINC000622043031 567633594 /nfs/dbraw/zinc/63/35/94/567633594.db2.gz PLLKPZFCOZOZOQ-MRVPVSSYSA-N 0 2 399.885 3.346 10 0 GGAELN C[C@@]1(C(F)F)CN(C(=O)c2cc(Br)cc(Cl)c2O)CCO1 ZINC000622187448 567642932 /nfs/dbraw/zinc/64/29/32/567642932.db2.gz QVSIXZHUGYPVIB-ZDUSSCGKSA-N 0 2 384.604 3.304 10 0 GGAELN O=C(NCC1(O)CCC(F)(F)CC1)c1cc(Br)cc(Cl)c1O ZINC000622180353 567643112 /nfs/dbraw/zinc/64/31/12/567643112.db2.gz HKNHBUPTWNOYEB-UHFFFAOYSA-N 0 2 398.631 3.478 10 0 GGAELN CCOC(=O)Cc1cccc(S(=O)(=O)Nc2cc(Cl)c(Cl)cn2)c1 ZINC000506804544 567644381 /nfs/dbraw/zinc/64/43/81/567644381.db2.gz CDSOFDAPVLNGPM-UHFFFAOYSA-N 0 2 389.260 3.295 10 0 GGAELN O=S(=O)(Nc1nnc(-c2ccccc2)s1)c1cccnc1C(F)(F)F ZINC000572518443 567645217 /nfs/dbraw/zinc/64/52/17/567645217.db2.gz ANXOOKGDSNSLHV-UHFFFAOYSA-N 0 2 386.380 3.420 10 0 GGAELN COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1nc(C)cs1 ZINC000506847779 567646351 /nfs/dbraw/zinc/64/63/51/567646351.db2.gz AVUNDWTZQGJDJN-UHFFFAOYSA-N 0 2 381.262 3.346 10 0 GGAELN CCc1ccc(S(=O)(=O)Nc2ncn(Cc3ccc(Cl)cc3)n2)s1 ZINC000481027575 567653156 /nfs/dbraw/zinc/65/31/56/567653156.db2.gz RDFCCAOYYGVUCU-UHFFFAOYSA-N 0 2 382.898 3.405 10 0 GGAELN C[C@@H](CC(F)(F)F)C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000459814907 567659697 /nfs/dbraw/zinc/65/96/97/567659697.db2.gz NBZBZHLKHJHEQA-VIFPVBQESA-N 0 2 393.412 3.471 10 0 GGAELN CO[C@@H]1CC[C@H](C(=O)N=c2ccc(-c3ccc(Br)s3)n[nH]2)C1 ZINC000622858354 567661171 /nfs/dbraw/zinc/66/11/71/567661171.db2.gz KVHZCMGVAPKMGR-VHSXEESVSA-N 0 2 382.283 3.143 10 0 GGAELN CC1(C)OC[C@H]2C[C@]21C(=O)N=c1ccc(-c2ccc(Br)s2)n[nH]1 ZINC000622858569 567662310 /nfs/dbraw/zinc/66/23/10/567662310.db2.gz SRNBBCUCRZHTSB-JDNHERCYSA-N 0 2 394.294 3.143 10 0 GGAELN COC(=O)c1ccc(S(=O)(=O)Nc2nnc(-c3ccco3)s2)cc1Cl ZINC000441361455 567662686 /nfs/dbraw/zinc/66/26/86/567662686.db2.gz XNACAFBODUSTIL-UHFFFAOYSA-N 0 2 399.837 3.039 10 0 GGAELN O=S(=O)(N[C@@H](C1CCCC1)C(F)(F)F)c1cccnc1C(F)(F)F ZINC000553533959 567662941 /nfs/dbraw/zinc/66/29/41/567662941.db2.gz GAGCZRHRLHASSY-JTQLQIEISA-N 0 2 376.322 3.500 10 0 GGAELN CCCC(=O)N1CCC[C@H]1C(=O)N=c1ccc(-c2ccc(Cl)s2)n[nH]1 ZINC000622929616 567669051 /nfs/dbraw/zinc/66/90/51/567669051.db2.gz WQURMPDDCYGWAP-LBPRGKRZSA-N 0 2 378.885 3.010 10 0 GGAELN CCn1nc(C)c(CC(=O)N=c2ccc(-c3ccc(Cl)s3)n[nH]2)c1C ZINC000622929172 567669160 /nfs/dbraw/zinc/66/91/60/567669160.db2.gz GDWVFXJMHJMARA-UHFFFAOYSA-N 0 2 375.885 3.295 10 0 GGAELN O=C(N=c1ccc(-c2ccc(Cl)s2)n[nH]1)C1CCN(CC(F)F)CC1 ZINC000622929328 567669179 /nfs/dbraw/zinc/66/91/79/567669179.db2.gz MPIBVEABTIHGDP-UHFFFAOYSA-N 0 2 386.855 3.196 10 0 GGAELN CC(C)c1nnc(CCC(=O)N=c2ccc(-c3ccc(Cl)s3)n[nH]2)o1 ZINC000622929185 567669283 /nfs/dbraw/zinc/66/92/83/567669283.db2.gz GULQXUWVWUQXLI-UHFFFAOYSA-N 0 2 377.857 3.358 10 0 GGAELN CC(C)c1noc(CCC(=O)N=c2ccc(-c3ccc(Cl)s3)n[nH]2)n1 ZINC000622929315 567669318 /nfs/dbraw/zinc/66/93/18/567669318.db2.gz LTLGTSBJRTZVJY-UHFFFAOYSA-N 0 2 377.857 3.358 10 0 GGAELN CC[C@@H]1CN(C(=O)N=c2ccc(-c3ccc(Cl)s3)n[nH]2)C[C@@H](C)[S@@]1=O ZINC000597018151 567671976 /nfs/dbraw/zinc/67/19/76/567671976.db2.gz DGECFHGKEJXICH-PQIHIXOVSA-N 0 2 398.941 3.044 10 0 GGAELN Cc1cnc(N)c(S(=O)(=O)Nc2cccc(Cl)c2OCC(F)F)c1 ZINC000572875945 567673180 /nfs/dbraw/zinc/67/31/80/567673180.db2.gz IRNZUSSPNFMCEJ-UHFFFAOYSA-N 0 2 377.800 3.070 10 0 GGAELN CSC1(CNC(=O)N=c2ccc(-c3ccc(Cl)s3)n[nH]2)CCOCC1 ZINC000597020694 567673451 /nfs/dbraw/zinc/67/34/51/567673451.db2.gz KXRRPPRQJQXANZ-UHFFFAOYSA-N 0 2 398.941 3.314 10 0 GGAELN CN(CCOc1ccccc1F)C(=O)N=c1nc(-c2ccsc2)[nH]s1 ZINC000460132509 567675363 /nfs/dbraw/zinc/67/53/63/567675363.db2.gz JWCPMCKKFZFNPB-UHFFFAOYSA-N 0 2 378.454 3.370 10 0 GGAELN Cn1c(=O)[nH]c2ccc(NS(=O)(=O)c3cc(Cl)sc3Cl)cc21 ZINC000442248345 567687394 /nfs/dbraw/zinc/68/73/94/567687394.db2.gz HBWKPVQUVPKRGB-UHFFFAOYSA-N 0 2 378.262 3.448 10 0 GGAELN CNC(=O)Nc1cc(NS(=O)(=O)c2c(F)cccc2Cl)ccc1F ZINC000507600124 567688939 /nfs/dbraw/zinc/68/89/39/567688939.db2.gz CRGVNSNJOUOHNE-UHFFFAOYSA-N 0 2 375.784 3.170 10 0 GGAELN Cc1cc(C)nc(NS(=O)(=O)c2cccc(Br)c2Cl)n1 ZINC000573151288 567692479 /nfs/dbraw/zinc/69/24/79/567692479.db2.gz XEQXCWXISOXUNY-UHFFFAOYSA-N 0 2 376.663 3.310 10 0 GGAELN CCn1nccc1S(=O)(=O)Nc1cc(F)c(Br)c(Cl)c1 ZINC000507645186 567693291 /nfs/dbraw/zinc/69/32/91/567693291.db2.gz PWVRBCVAIKJVQQ-UHFFFAOYSA-N 0 2 382.642 3.259 10 0 GGAELN O=S(=O)(Nc1cnc2c(Br)cccn12)c1cc(F)cc(F)c1 ZINC000460646986 567695452 /nfs/dbraw/zinc/69/54/52/567695452.db2.gz FPSOMLXPGYNUGG-UHFFFAOYSA-N 0 2 388.193 3.176 10 0 GGAELN O=S(=O)([N-]c1c[nH+]c2c(Br)cccn12)c1cc(F)ccc1F ZINC000460645761 567695854 /nfs/dbraw/zinc/69/58/54/567695854.db2.gz BBGYCIALALAZPP-UHFFFAOYSA-N 0 2 388.193 3.176 10 0 GGAELN COc1ccc(S(=O)(=O)Nc2cnc3c(Br)cccn23)cc1C ZINC000460648691 567696752 /nfs/dbraw/zinc/69/67/52/567696752.db2.gz MGYZVUCMBAMAIO-UHFFFAOYSA-N 0 2 396.266 3.215 10 0 GGAELN Cc1cccc(F)c1S(=O)(=O)[N-]c1c[nH+]c2c(Br)cccn12 ZINC000460649269 567697167 /nfs/dbraw/zinc/69/71/67/567697167.db2.gz NTFANBGGBJAYJR-UHFFFAOYSA-N 0 2 384.230 3.345 10 0 GGAELN Cc1cccc(F)c1S(=O)(=O)Nc1cnc2c(Br)cccn12 ZINC000460649269 567697173 /nfs/dbraw/zinc/69/71/73/567697173.db2.gz NTFANBGGBJAYJR-UHFFFAOYSA-N 0 2 384.230 3.345 10 0 GGAELN CCc1ncc(S(=O)(=O)Nc2ccc(-c3n[nH]c(C4CC4)n3)cc2)s1 ZINC000460760815 567701077 /nfs/dbraw/zinc/70/10/77/567701077.db2.gz YPLKWCQQIQIIEJ-UHFFFAOYSA-N 0 2 375.479 3.169 10 0 GGAELN Cc1cc(Br)c(S(=O)(=O)Nc2cccc(-c3nc[nH]n3)c2)s1 ZINC000460823231 567703592 /nfs/dbraw/zinc/70/35/92/567703592.db2.gz KUIWXROGPRZBDD-UHFFFAOYSA-N 0 2 399.295 3.405 10 0 GGAELN O=C(c1cccc(NS(=O)(=O)c2cccs2)c1)N1CC[C@@H]1C(F)(F)F ZINC000646289321 567704592 /nfs/dbraw/zinc/70/45/92/567704592.db2.gz UKMVHDVBYZJWCJ-GFCCVEGCSA-N 0 2 390.408 3.326 10 0 GGAELN O=S(=O)(N[C@@H](C1CCCC1)C(F)(F)F)c1cnccc1C(F)(F)F ZINC000442749049 567705738 /nfs/dbraw/zinc/70/57/38/567705738.db2.gz NMLWVSNADXCDKM-NSHDSACASA-N 0 2 376.322 3.500 10 0 GGAELN COC(=O)c1scc(C)c1S(=O)(=O)Nc1ccc(C(C)=O)c(Cl)c1 ZINC000442820316 567709345 /nfs/dbraw/zinc/70/93/45/567709345.db2.gz BHCWYCKSOCSYGQ-UHFFFAOYSA-N 0 2 387.866 3.500 10 0 GGAELN CCCCOc1ccc(NS(=O)(=O)c2cnccc2C(F)(F)F)cn1 ZINC000442822130 567710838 /nfs/dbraw/zinc/71/08/38/567710838.db2.gz CZZGQNNCBWVWBT-UHFFFAOYSA-N 0 2 375.372 3.475 10 0 GGAELN COCc1csc(NS(=O)(=O)CCc2ccccc2Br)n1 ZINC000461106352 567719852 /nfs/dbraw/zinc/71/98/52/567719852.db2.gz HOTGWQKHIHPKHT-UHFFFAOYSA-N 0 2 391.312 3.036 10 0 GGAELN O=C(N=c1ccc(-c2ccc(Br)s2)n[nH]1)N1CC[C@@H]1C1CC1 ZINC000573538870 567720577 /nfs/dbraw/zinc/72/05/77/567720577.db2.gz GMLJEBHQPMHXPZ-LLVKDONJSA-N 0 2 379.283 3.406 10 0 GGAELN CCc1nc(C(=O)Nc2nc(-c3ccccc3Br)n[nH]2)c(C)o1 ZINC000554290348 567720719 /nfs/dbraw/zinc/72/07/19/567720719.db2.gz GGZMXIDJANVKIY-UHFFFAOYSA-N 0 2 376.214 3.345 10 0 GGAELN COC(=O)c1cc(S(=O)(=O)Nc2cc(Cl)ccc2C(F)(F)F)c[nH]1 ZINC000508066706 567725335 /nfs/dbraw/zinc/72/53/35/567725335.db2.gz DWEUKKYTRPBYRT-UHFFFAOYSA-N 0 2 382.747 3.274 10 0 GGAELN CNC(=O)c1ccc(S(=O)(=O)Nc2nc3c(s2)c(Cl)ccc3C)cc1 ZINC000508088449 567727452 /nfs/dbraw/zinc/72/74/52/567727452.db2.gz JSVVYCVSVBRNOE-UHFFFAOYSA-N 0 2 395.893 3.419 10 0 GGAELN Cc1cc(S(C)(=O)=O)ccc1NS(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000461339881 567729740 /nfs/dbraw/zinc/72/97/40/567729740.db2.gz PIVYACKSHDSQPT-UHFFFAOYSA-N 0 2 399.437 3.280 10 0 GGAELN COc1cc(OC)cc(S(=O)(=O)Nc2csc(-c3ccccn3)n2)c1 ZINC000508108784 567730737 /nfs/dbraw/zinc/73/07/37/567730737.db2.gz GLQVKDCWJHKQAK-UHFFFAOYSA-N 0 2 377.447 3.023 10 0 GGAELN COc1ccc(S(=O)(=O)Nc2csc(-c3ccccn3)n2)c(C)c1F ZINC000508129106 567733395 /nfs/dbraw/zinc/73/33/95/567733395.db2.gz RZDKUSDIJAYZQF-UHFFFAOYSA-N 0 2 379.438 3.462 10 0 GGAELN CC1(C)SC[C@@H]1NC(=O)c1cccc(NS(=O)(=O)c2cccs2)c1 ZINC000573819075 567737717 /nfs/dbraw/zinc/73/77/17/567737717.db2.gz PFCBCFUIQHFJPE-ZDUSSCGKSA-N 0 2 382.532 3.173 10 0 GGAELN Cc1nn(C(C)C)c(C)c1S(=O)(=O)Nc1ncc(-c2cccnc2)s1 ZINC000573824507 567739130 /nfs/dbraw/zinc/73/91/30/567739130.db2.gz XJWCTDJUYDRJMO-UHFFFAOYSA-N 0 2 377.495 3.400 10 0 GGAELN COc1ccc(NS(=O)(=O)c2cc(Br)cc3cccnc32)cn1 ZINC000554686340 567741953 /nfs/dbraw/zinc/74/19/53/567741953.db2.gz FAQSJQAEVCWWIN-UHFFFAOYSA-N 0 2 394.250 3.202 10 0 GGAELN COC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1cc(C)c(Cl)cc1OC ZINC000508323591 567743367 /nfs/dbraw/zinc/74/33/67/567743367.db2.gz GIPINNMCNMXNQS-UHFFFAOYSA-N 0 2 387.841 3.454 10 0 GGAELN COC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1ccccc1OC(F)F ZINC000508322576 567743568 /nfs/dbraw/zinc/74/35/68/567743568.db2.gz AHFHRUYBUJFYMU-UHFFFAOYSA-N 0 2 375.349 3.085 10 0 GGAELN COC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1ccc2nc(C)sc2c1 ZINC000508323657 567743724 /nfs/dbraw/zinc/74/37/24/567743724.db2.gz GZPVFIDOVCWMHX-UHFFFAOYSA-N 0 2 380.447 3.402 10 0 GGAELN O=C(Nc1cnoc1)c1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000624011134 567754642 /nfs/dbraw/zinc/75/46/42/567754642.db2.gz LHLVXKFMCMBCFH-UHFFFAOYSA-N 0 2 383.838 3.443 10 0 GGAELN Cc1ccc(S(=O)(=O)Nc2cc(-c3ccncc3)n[nH]2)cc1Br ZINC000533176928 567756443 /nfs/dbraw/zinc/75/64/43/567756443.db2.gz HWVWNQBDVIYVIL-UHFFFAOYSA-N 0 2 393.266 3.343 10 0 GGAELN Cc1ccc(S(=O)(=O)Nc2cc(-c3ccncc3)[nH]n2)cc1Br ZINC000533176928 567756446 /nfs/dbraw/zinc/75/64/46/567756446.db2.gz HWVWNQBDVIYVIL-UHFFFAOYSA-N 0 2 393.266 3.343 10 0 GGAELN Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000443452517 567758955 /nfs/dbraw/zinc/75/89/55/567758955.db2.gz JJINSTIUQKWQDD-UHFFFAOYSA-N 0 2 378.679 3.254 10 0 GGAELN COc1ccc(S(=O)(=O)Nc2cnc(C)nc2C2CC2)c(Br)c1 ZINC000533216336 567759636 /nfs/dbraw/zinc/75/96/36/567759636.db2.gz DGTBLGNCDIKQCN-UHFFFAOYSA-N 0 2 398.282 3.234 10 0 GGAELN CO[C@H](CS(=O)(=O)Nc1ccc(Cl)c2cccnc12)C1CCOCC1 ZINC000647123630 567761324 /nfs/dbraw/zinc/76/13/24/567761324.db2.gz LMROQPDBLAAEHR-MRXNPFEDSA-N 0 2 384.885 3.072 10 0 GGAELN Cc1c(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)coc1C(=O)N(C)C ZINC000647122756 567761507 /nfs/dbraw/zinc/76/15/07/567761507.db2.gz WGPLXJAZIBRPSK-UHFFFAOYSA-N 0 2 376.356 3.109 10 0 GGAELN CO[C@H](CS(=O)(=O)Nc1ccc(Br)c2cccnc12)C1CC1 ZINC000647132385 567763212 /nfs/dbraw/zinc/76/32/12/567763212.db2.gz RRCJINHMEWBINF-CQSZACIVSA-N 0 2 385.283 3.164 10 0 GGAELN CCOc1cc(Br)ccc1NS(=O)(=O)C[C@@H](OC)C1CC1 ZINC000647128790 567763223 /nfs/dbraw/zinc/76/32/23/567763223.db2.gz ORGWDLGVZFUJKX-CQSZACIVSA-N 0 2 378.288 3.015 10 0 GGAELN COc1ncc(S(=O)(=O)Nc2cccc3c2OCC[C@@H]3OC)cc1Cl ZINC000647131914 567763364 /nfs/dbraw/zinc/76/33/64/567763364.db2.gz SJIVULOXWIYHBT-AWEZNQCLSA-N 0 2 384.841 3.014 10 0 GGAELN CO[C@H](CS(=O)(=O)Nc1cc(Cl)ccc1OC(F)F)C1CCOCC1 ZINC000647134646 567764359 /nfs/dbraw/zinc/76/43/59/567764359.db2.gz ZUMPQXKLRVOYHW-CQSZACIVSA-N 0 2 399.843 3.125 10 0 GGAELN O=C(Nc1cccc([C@H]2CNC(=O)C2)c1)c1cccc(Br)c1O ZINC000533405759 567767813 /nfs/dbraw/zinc/76/78/13/567767813.db2.gz RGLYPKOENVWNIY-LLVKDONJSA-N 0 2 375.222 3.011 10 0 GGAELN O=S(=O)(Nc1cc(C(F)(F)F)[nH]n1)c1ccc(F)cc1Br ZINC000533549080 567774607 /nfs/dbraw/zinc/77/46/07/567774607.db2.gz OKUIVMFOZDAXMY-UHFFFAOYSA-N 0 2 388.140 3.131 10 0 GGAELN Cn1cc(Br)c2ccc(S(=O)(=O)Nc3cc(C4CC4)n[nH]3)cc21 ZINC000647268503 567775030 /nfs/dbraw/zinc/77/50/30/567775030.db2.gz DFIUYXLJEPSQRT-UHFFFAOYSA-N 0 2 395.282 3.342 10 0 GGAELN CO[C@H](CS(=O)(=O)Nc1ncc(Cc2cc(F)cc(F)c2)s1)C1CC1 ZINC000647265434 567775225 /nfs/dbraw/zinc/77/52/25/567775225.db2.gz DQZSELILVXUGKN-OAHLLOKOSA-N 0 2 388.461 3.179 10 0 GGAELN CSc1cc(Cl)c(C(F)(F)F)cc1NC(=O)NCc1n[nH]c(=O)[nH]1 ZINC000667825372 567775512 /nfs/dbraw/zinc/77/55/12/567775512.db2.gz WBTIAZQWUGRDLC-UHFFFAOYSA-N 0 2 381.767 3.226 10 0 GGAELN O=S(=O)(CCCC1CCOCC1)Nc1nnc(/C=C/c2ccco2)s1 ZINC000647270900 567776856 /nfs/dbraw/zinc/77/68/56/567776856.db2.gz SIVHCEOAVHSUKK-AATRIKPKSA-N 0 2 383.495 3.250 10 0 GGAELN CO[C@H](CS(=O)(=O)Nc1ncc(C2CCCCC2)s1)C1CCOCC1 ZINC000647271654 567776872 /nfs/dbraw/zinc/77/68/72/567776872.db2.gz AYZCTYMJAVBACF-OAHLLOKOSA-N 0 2 388.555 3.374 10 0 GGAELN CCc1nc(NS(=O)(=O)C[C@H](OC)C2CCOCC2)sc1C(C)(C)C ZINC000647277847 567777944 /nfs/dbraw/zinc/77/79/44/567777944.db2.gz ZBQATNXVSTVMNH-AWEZNQCLSA-N 0 2 390.571 3.186 10 0 GGAELN CC(C)c1noc(-c2ccc(NS(=O)(=O)c3c(Cl)cnn3C)cc2)n1 ZINC000574500157 567782139 /nfs/dbraw/zinc/78/21/39/567782139.db2.gz QDQODNYJSLEIBO-UHFFFAOYSA-N 0 2 381.845 3.048 10 0 GGAELN O=S(=O)(N[C@@H](c1nccs1)C(F)(F)F)c1ccc(Br)o1 ZINC000555413216 567782440 /nfs/dbraw/zinc/78/24/40/567782440.db2.gz JASASVBNTLPPFK-ZETCQYMHSA-N 0 2 391.190 3.081 10 0 GGAELN O=S(=O)(N[C@H](c1nccs1)C(F)(F)F)c1cc(F)c(F)c(F)c1 ZINC000555412553 567782507 /nfs/dbraw/zinc/78/25/07/567782507.db2.gz AXTJYGCEIJTCQJ-SECBINFHSA-N 0 2 376.303 3.142 10 0 GGAELN O=C(Cc1cscc1Br)Nc1ccc(-c2nc(=O)o[nH]2)cc1 ZINC000555708302 567795628 /nfs/dbraw/zinc/79/56/28/567795628.db2.gz LMOMSTIGUYJMMG-UHFFFAOYSA-N 0 2 380.223 3.035 10 0 GGAELN Oc1c(Br)cc(CN2CC([C@H]3CCOC3)C2)cc1Br ZINC000668092256 567795979 /nfs/dbraw/zinc/79/59/79/567795979.db2.gz ABQPWHRBBSFTFH-JTQLQIEISA-N 0 2 391.103 3.386 10 0 GGAELN Cc1ccc(NC(=O)c2cccc(Br)c2O)cc1S(C)(=O)=O ZINC000534075434 567798588 /nfs/dbraw/zinc/79/85/88/567798588.db2.gz NLWPUROSAVXUTB-UHFFFAOYSA-N 0 2 384.251 3.119 10 0 GGAELN CCc1ccc2nc(NS(=O)(=O)c3ccc4c(c3)OCCO4)sc2c1 ZINC000534207400 567803343 /nfs/dbraw/zinc/80/33/43/567803343.db2.gz RQLJIJRUMMRBOB-UHFFFAOYSA-N 0 2 376.459 3.431 10 0 GGAELN COCCC1CN(Cc2cc(Br)c(O)c(Br)c2)C1 ZINC000668471612 567810488 /nfs/dbraw/zinc/81/04/88/567810488.db2.gz DWTBJTRLATYMON-UHFFFAOYSA-N 0 2 379.092 3.386 10 0 GGAELN CCCCNC(=O)C1(c2ccc(NS(=O)(=O)c3c(C)noc3C)cc2)CC1 ZINC000021663705 570294232 /nfs/dbraw/zinc/29/42/32/570294232.db2.gz XDASXRLDRFWCDB-UHFFFAOYSA-N 0 2 391.493 3.040 10 0 GGAELN O=c1nc(CSc2nnc(-c3ccc4c(c3)OCO4)o2)[nH]c2ccsc21 ZINC000004829912 570296653 /nfs/dbraw/zinc/29/66/53/570296653.db2.gz ZUHYIULWBQWKBH-UHFFFAOYSA-N 0 2 386.414 3.056 10 0 GGAELN CC[C@@H](C)NC(=O)CCc1nnc(-c2cccc(OCC3CCC3)c2)[nH]c1=O ZINC000034765668 570333460 /nfs/dbraw/zinc/33/34/60/570333460.db2.gz HMSWSWBQDIWCPJ-CQSZACIVSA-N 0 2 384.480 3.270 10 0 GGAELN C[C@H](NC(=O)CCc1nnc(-c2ccc(F)c(F)c2)[nH]c1=O)c1ccccc1 ZINC000034768347 570333592 /nfs/dbraw/zinc/33/35/92/570333592.db2.gz FLQNRBQGQYCBSN-LBPRGKRZSA-N 0 2 384.386 3.332 10 0 GGAELN Cn1cc[nH+]c1[C@H](NC(=O)CSCc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000024769854 570392725 /nfs/dbraw/zinc/39/27/25/570392725.db2.gz DPGYWQNFOKOHOZ-LJQANCHMSA-N 0 2 395.484 3.257 10 0 GGAELN CCc1nn2c(nc(C)c(NC(=O)Nc3cccc(C(F)(F)F)c3)c2=O)[nH]1 ZINC000033048567 570400444 /nfs/dbraw/zinc/40/04/44/570400444.db2.gz MVWCWWZXAXCOGZ-UHFFFAOYSA-N 0 2 380.330 3.364 10 0 GGAELN CCOC(=O)[C@@]1(C(F)(F)F)Nc2ccccc2C(=O)N1C(=O)c1ccccc1 ZINC000005585744 570447869 /nfs/dbraw/zinc/44/78/69/570447869.db2.gz MSAOWOODVPJSGD-GOSISDBHSA-N 0 2 392.333 3.216 10 0 GGAELN CCOC(=O)c1sc([N-]c2nc(NC(C)C)[nH+]c(NC(C)C)n2)nc1C ZINC000006745304 570564290 /nfs/dbraw/zinc/56/42/90/570564290.db2.gz QSAWVGUTKFLSOT-UHFFFAOYSA-N 0 2 379.490 3.197 10 0 GGAELN CC(C)COc1ccc(-c2nnc(CCC(=O)N3CCCCC3)c(=O)[nH]2)cc1 ZINC000034763910 570797321 /nfs/dbraw/zinc/79/73/21/570797321.db2.gz ANXCTHZJBXBIPG-UHFFFAOYSA-N 0 2 384.480 3.224 10 0 GGAELN COc1ccc(-c2nnc(SCC(=O)N[C@@H]3CCCC[C@@H]3C)[nH]c2=O)cc1 ZINC000032778630 570811692 /nfs/dbraw/zinc/81/16/92/570811692.db2.gz UVOSGCORVLOCON-SWLSCSKDSA-N 0 2 388.493 3.040 10 0 GGAELN CCCCn1c(=O)c(C2=NN(C(C)=O)[C@H](c3ccccc3)C2)c(O)[nH]c1=S ZINC000101456677 570824071 /nfs/dbraw/zinc/82/40/71/570824071.db2.gz JOVDPYWAYPNOAM-HNNXBMFYSA-N 0 2 386.477 3.109 10 0 GGAELN CCCCn1c(O)c(C2=NN(C(C)=O)[C@H](c3ccccc3)C2)c(=O)[nH]c1=S ZINC000101456677 570824073 /nfs/dbraw/zinc/82/40/73/570824073.db2.gz JOVDPYWAYPNOAM-HNNXBMFYSA-N 0 2 386.477 3.109 10 0 GGAELN Cn1c(=O)[nH]c(O)c(C2=Nc3ccccc3S[C@@H](c3ccccc3)C2)c1=O ZINC000101767178 570831439 /nfs/dbraw/zinc/83/14/39/570831439.db2.gz XUEYDTLBRVJHMW-MRXNPFEDSA-N 0 2 379.441 3.137 10 0 GGAELN Cn1c(O)c(C2=Nc3ccccc3S[C@@H](c3ccccc3)C2)c(=O)[nH]c1=O ZINC000101767178 570831441 /nfs/dbraw/zinc/83/14/41/570831441.db2.gz XUEYDTLBRVJHMW-MRXNPFEDSA-N 0 2 379.441 3.137 10 0 GGAELN Cc1cccc(N(Cc2nn3c(nc(C)cc3=O)[nH]2)C(=O)c2ccc(F)cc2)c1 ZINC000101802226 570835309 /nfs/dbraw/zinc/83/53/09/570835309.db2.gz KYHUKTLKLXEKLC-UHFFFAOYSA-N 0 2 391.406 3.021 10 0 GGAELN Cc1cc(=O)n2nc(CN(C(=O)c3ccccc3C)c3ccc(F)cc3)[nH]c2n1 ZINC000101802050 570835366 /nfs/dbraw/zinc/83/53/66/570835366.db2.gz ZUECPYQSRLRFCX-UHFFFAOYSA-N 0 2 391.406 3.021 10 0 GGAELN Cc1nc(N2N=C(C)C(Cc3ccccc3)C2=O)sc1C(=O)N1CCCC1 ZINC000101832254 570836701 /nfs/dbraw/zinc/83/67/01/570836701.db2.gz UCJNKDAWVCJZJQ-UHFFFAOYSA-N 0 2 382.489 3.478 10 0 GGAELN Cc1nc(-n2[nH]c(C)c(Cc3ccccc3)c2=O)sc1C(=O)N1CCCC1 ZINC000101832254 570836702 /nfs/dbraw/zinc/83/67/02/570836702.db2.gz UCJNKDAWVCJZJQ-UHFFFAOYSA-N 0 2 382.489 3.478 10 0 GGAELN COc1cc(NS(=O)(=O)c2cc(-c3ccno3)cs2)cc(OC)c1OC ZINC000033169509 570838168 /nfs/dbraw/zinc/83/81/68/570838168.db2.gz OGRLHTYCMGSZQV-UHFFFAOYSA-N 0 2 396.446 3.230 10 0 GGAELN CCn1c(=O)c2ccc(C(=O)N[C@H](C)c3ccc(F)c(F)c3)cc2[nH]c1=S ZINC000102173347 570842494 /nfs/dbraw/zinc/84/24/94/570842494.db2.gz DPUHVPSUBYQJBU-SNVBAGLBSA-N 0 2 389.427 3.474 10 0 GGAELN O=C(Nn1cnc2scc(-c3cccs3)c2c1=O)c1n[nH]c2ccccc21 ZINC000012548117 570849709 /nfs/dbraw/zinc/84/97/09/570849709.db2.gz VGGKDZYKGMLSOT-UHFFFAOYSA-N 0 2 393.453 3.447 10 0 GGAELN COc1ccc(-c2csc(NC(=O)c3ccc4[nH]nnc4c3)n2)cc1OC ZINC000012560153 570861761 /nfs/dbraw/zinc/86/17/61/570861761.db2.gz DBUKMOHMGASHAN-UHFFFAOYSA-N 0 2 381.417 3.351 10 0 GGAELN CN(Cc1ccc(C(C)(C)C)cc1)C(=O)Cc1csc(NS(C)(=O)=O)n1 ZINC000032903387 570900010 /nfs/dbraw/zinc/90/00/10/570900010.db2.gz NKGINWNQLAXKLY-UHFFFAOYSA-N 0 2 395.550 3.013 10 0 GGAELN Cc1csc(NS(=O)(=O)c2ccc(CCNC(=O)CC(C)C)s2)n1 ZINC000093928054 643085145 /nfs/dbraw/zinc/08/51/45/643085145.db2.gz PKYFMVXRWNLDSU-UHFFFAOYSA-N 0 2 387.552 3.019 10 0 GGAELN COc1ccc(NC(=O)CC2SC(N3CCC[C@@H](C)C3)=NC2=O)cc1Cl ZINC000055117713 1406889463 /nfs/dbraw/zinc/88/94/63/1406889463.db2.gz HOGRPWGURUQKTI-ABAIWWIYSA-N 0 2 395.912 3.407 10 0 GGAELN COc1ccccc1CNC(=O)CCCn1c(=O)c2sccc2[nH]c1=S ZINC000002925429 1398322003 /nfs/dbraw/zinc/32/20/03/1398322003.db2.gz HBPWIBWGCDACSX-UHFFFAOYSA-N 0 2 389.502 3.226 10 0 GGAELN C[C@H]1CCCN(C(=O)c2ccc3c(c2)[nH]c(=S)n(C[C@@H]2CCCO2)c3=O)C1 ZINC000002970824 1398323199 /nfs/dbraw/zinc/32/31/99/1398323199.db2.gz KVPHJCCKNWYHFM-ZFWWWQNUSA-N 0 2 387.505 3.110 10 0 GGAELN CCOCCCn1c(=O)c2ccc(C(=O)N3CCCCC3)cc2[nH]c1=S ZINC000002972229 1398323308 /nfs/dbraw/zinc/32/33/08/1398323308.db2.gz UXXVUYLCTBKMKE-UHFFFAOYSA-N 0 2 375.494 3.112 10 0 GGAELN O=C(Nc1ccc(F)cc1)c1ccc2c(c1)[nH]c(=S)n(C[C@@H]1CCCO1)c2=O ZINC000003631923 1398374753 /nfs/dbraw/zinc/37/47/53/1398374753.db2.gz QEIQAJJVOOSPCV-HNNXBMFYSA-N 0 2 399.447 3.256 10 0 GGAELN O=C(NC1CCCCC1)c1ccc2c(c1)[nH]c(=S)n(C[C@@H]1CCCO1)c2=O ZINC000003630223 1398374860 /nfs/dbraw/zinc/37/48/60/1398374860.db2.gz BMZPIHBICAJBRI-HNNXBMFYSA-N 0 2 387.505 3.301 10 0 GGAELN O=C(NC[C@H]1CCCO1)c1ccc2c(c1)[nH]c(=S)n(C1CCCCC1)c2=O ZINC000003631067 1398375478 /nfs/dbraw/zinc/37/54/78/1398375478.db2.gz UAVXVXNATLSGOQ-OAHLLOKOSA-N 0 2 387.505 3.473 10 0 GGAELN CCOc1ccc(OCC)c(NS(=O)(=O)c2ccc(C(=O)OC)cc2)c1 ZINC000007325386 1398654304 /nfs/dbraw/zinc/65/43/04/1398654304.db2.gz IOAUWJKENWNVGB-UHFFFAOYSA-N 0 2 379.434 3.071 10 0 GGAELN CCOC(=O)c1ccc(S(=O)(=O)Nc2cc(Cl)ccc2C(=O)OC)cc1 ZINC000007379122 1398664982 /nfs/dbraw/zinc/66/49/82/1398664982.db2.gz VLNNRMXBCVSLAX-UHFFFAOYSA-N 0 2 397.836 3.104 10 0 GGAELN C[C@@H](O)c1ccccc1NS(=O)(=O)c1cc(Br)cnc1Cl ZINC000049546794 1405383584 /nfs/dbraw/zinc/38/35/84/1405383584.db2.gz NQUCWOANNSKCKR-MRVPVSSYSA-N 0 2 391.674 3.352 10 0 GGAELN COc1cc(OC)cc([C@H]2CCN(C(=O)C3=NN(c4ccccc4)CC3=O)C2)c1 ZINC000176383179 1428288318 /nfs/dbraw/zinc/28/83/18/1428288318.db2.gz OZNLZEQGUFVKBG-HNNXBMFYSA-N 0 2 393.443 3.225 10 0 GGAELN COc1ccc(C2(CNC(=O)c3c(O)cc(F)cc3F)CCOCC2)cc1 ZINC000066051762 1408779184 /nfs/dbraw/zinc/77/91/84/1408779184.db2.gz UOKCUFSKDTZYKV-UHFFFAOYSA-N 0 2 377.387 3.157 10 0 GGAELN O=S(=O)(Nc1ccc(CO)cc1)c1c(F)cc(F)cc1Br ZINC000070332105 1409745971 /nfs/dbraw/zinc/74/59/71/1409745971.db2.gz PYRHCHKWFNNNCW-UHFFFAOYSA-N 0 2 378.194 3.020 10 0 GGAELN COc1ccc(C)cc1NS(=O)(=O)c1c(C)[nH]c(C)c1-c1nc(C)no1 ZINC000096379767 1410329560 /nfs/dbraw/zinc/32/95/60/1410329560.db2.gz MXSAQUGNSLOGEW-UHFFFAOYSA-N 0 2 376.438 3.108 10 0 GGAELN COc1ccc(Cl)cc1NS(=O)(=O)c1c(C)[nH]c(-c2nnc(C)o2)c1C ZINC000096379412 1410329853 /nfs/dbraw/zinc/32/98/53/1410329853.db2.gz FMKQPFKDFSWINX-UHFFFAOYSA-N 0 2 396.856 3.453 10 0 GGAELN CCc1nnc(-c2[nH]c(C)c(S(=O)(=O)Nc3cc(C)ccc3OC)c2C)o1 ZINC000096379447 1410329984 /nfs/dbraw/zinc/32/99/84/1410329984.db2.gz WYMUPHZSZNEPBC-UHFFFAOYSA-N 0 2 390.465 3.362 10 0 GGAELN COc1ccc(NS(=O)(=O)c2cc(-c3cc(C)[nH]n3)oc2C)c(OC)c1 ZINC000096386728 1410330554 /nfs/dbraw/zinc/33/05/54/1410330554.db2.gz GUOKBHNSPZRLMC-UHFFFAOYSA-N 0 2 377.422 3.105 10 0 GGAELN Cc1cnc2c(cccc2S(=O)(=O)Nc2ccc(S(C)(=O)=O)cc2C)c1 ZINC000114313347 1412411477 /nfs/dbraw/zinc/41/14/77/1412411477.db2.gz UZKGNTCGRNLLJT-UHFFFAOYSA-N 0 2 390.486 3.056 10 0 GGAELN CCOc1ccc(NS(=O)(=O)c2cc(Br)ccc2OC)cn1 ZINC000123587844 1414784740 /nfs/dbraw/zinc/78/47/40/1414784740.db2.gz BCWYMIQMHHSTLT-UHFFFAOYSA-N 0 2 387.255 3.052 10 0 GGAELN O=S(=O)(NCCCC(F)(F)F)c1c(F)cc(F)cc1Br ZINC000131057210 1416502481 /nfs/dbraw/zinc/50/24/81/1416502481.db2.gz VWQIGLAFTJPQFQ-UHFFFAOYSA-N 0 2 382.148 3.348 10 0 GGAELN COc1cc(NC(=O)c2cccc(Nc3nn[nH]n3)c2)ccc1C(F)(F)F ZINC001141718758 1429180215 /nfs/dbraw/zinc/18/02/15/1429180215.db2.gz JDUQVTBTEHQWJL-UHFFFAOYSA-N 0 2 378.314 3.223 10 0 GGAELN COc1cc(NS(=O)(=O)c2cccnc2Cl)ccc1Br ZINC000147470598 1417748208 /nfs/dbraw/zinc/74/82/08/1417748208.db2.gz KPHZRMYXXRNOQB-UHFFFAOYSA-N 0 2 377.647 3.307 10 0 GGAELN COCCOc1ccc(F)cc1NS(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000154411972 1422885618 /nfs/dbraw/zinc/88/56/18/1422885618.db2.gz IDECQIYKFWHKTH-UHFFFAOYSA-N 0 2 395.239 3.354 10 0 GGAELN O=C(CN(Cc1ccccc1)Cc1ccccc1)Nc1n[nH]c(C(F)(F)F)n1 ZINC000155306168 1423309924 /nfs/dbraw/zinc/30/99/24/1423309924.db2.gz WHBUCFFMMONGLU-UHFFFAOYSA-N 0 2 389.381 3.464 10 0 GGAELN COc1ccc(NS(=O)(=O)c2ccc(Br)cc2F)cc1O ZINC000162005773 1424807834 /nfs/dbraw/zinc/80/78/34/1424807834.db2.gz QYHVEJGJMUVUSY-UHFFFAOYSA-N 0 2 376.203 3.103 10 0 GGAELN CCOc1ccc(NS(=O)(=O)c2ccc(Br)cc2F)cn1 ZINC000162065451 1424813148 /nfs/dbraw/zinc/81/31/48/1424813148.db2.gz WUDRSNGRDNWHCB-UHFFFAOYSA-N 0 2 375.219 3.183 10 0 GGAELN Cc1cc(Oc2ncccn2)ccc1NC(=O)c1cccc(Nc2nn[nH]n2)c1 ZINC001136439205 1424997322 /nfs/dbraw/zinc/99/73/22/1424997322.db2.gz QPHFVEDJHLUHRT-UHFFFAOYSA-N 0 2 388.391 3.086 10 0 GGAELN COc1cc(Br)cc(NS(=O)(=O)c2cnccc2Cl)c1 ZINC000169042640 1425242191 /nfs/dbraw/zinc/24/21/91/1425242191.db2.gz DYNQKQNPXZDYCO-UHFFFAOYSA-N 0 2 377.647 3.307 10 0 GGAELN COC(=O)c1c(F)cccc1NS(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000172561195 1426088183 /nfs/dbraw/zinc/08/81/83/1426088183.db2.gz KRDJMMRHNHELJM-UHFFFAOYSA-N 0 2 379.196 3.115 10 0 GGAELN CC(C)C[C@H](NC(=O)c1cccc(Nc2nn[nH]n2)c1)c1nc2ccccc2[nH]1 ZINC001136611018 1426588719 /nfs/dbraw/zinc/58/87/19/1426588719.db2.gz WJGUNRGVHKPUNU-KRWDZBQOSA-N 0 2 390.451 3.337 10 0 GGAELN Cc1ccc2c(=O)c(C(=O)N(C)Cc3nc(C(F)(F)F)cs3)c[nH]c2n1 ZINC000174101422 1427002835 /nfs/dbraw/zinc/00/28/35/1427002835.db2.gz MXLIEUORZXOJAO-UHFFFAOYSA-N 0 2 382.367 3.391 10 0 GGAELN CN(C)c1ccc(C2CCN(C(=O)c3cccc(Nc4nn[nH]n4)c3)CC2)cc1 ZINC000907504605 1427205604 /nfs/dbraw/zinc/20/56/04/1427205604.db2.gz QLIYTOHMKOMPMQ-UHFFFAOYSA-N 0 2 391.479 3.029 10 0 GGAELN CCc1nc2c(s1)[C@@H](N(C)C(=O)c1cccc(Nc3nn[nH]n3)c1)CCC2 ZINC000901089566 1427312128 /nfs/dbraw/zinc/31/21/28/1427312128.db2.gz KZLJXYJJERSJBZ-AWEZNQCLSA-N 0 2 383.481 3.112 10 0 GGAELN Cc1cnn([C@H]2CCCN(C(=O)C3=NN(c4ccc(F)cc4C)CC3=O)C2)c1 ZINC000176013255 1428027739 /nfs/dbraw/zinc/02/77/39/1428027739.db2.gz YGYZDRSYSDRFPB-INIZCTEOSA-N 0 2 383.427 3.008 10 0 GGAELN CC(C)c1nnc2ccc(NS(=O)(=O)c3cc(C#N)ccc3Cl)cn21 ZINC000187778019 1431811372 /nfs/dbraw/zinc/81/13/72/1431811372.db2.gz VTIRDXRTDJNOGS-UHFFFAOYSA-N 0 2 375.841 3.179 10 0 GGAELN C[C@H](NC(=O)C1=NN(c2ccc(Cl)cc2)CC1=O)c1ccc2c(c1)CC(=O)N2 ZINC000193838943 1433070216 /nfs/dbraw/zinc/07/02/16/1433070216.db2.gz HCKWMZLHLRJMND-NSHDSACASA-N 0 2 396.834 3.217 10 0 GGAELN C[C@H](C[C@@H](O)c1ccco1)NC(=O)C1=NN(c2ccc(Cl)cc2)CC1=O ZINC000194318477 1433160604 /nfs/dbraw/zinc/16/06/04/1433160604.db2.gz IFEIMGBDJWQFJV-BXUZGUMPSA-N 0 2 375.812 3.066 10 0 GGAELN CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)C2=NN(c3ccc(Cl)cc3)CC2=O)C1 ZINC000248672097 1433814637 /nfs/dbraw/zinc/81/46/37/1433814637.db2.gz FPWMCYAFNHTNKI-NGKZDAFWSA-N 0 2 395.912 3.041 10 0 GGAELN O=C(C1=NN(c2ccc(Cl)cc2)CC1=O)N1CCCCC[C@H]1c1ncon1 ZINC000279686504 1435529692 /nfs/dbraw/zinc/52/96/92/1435529692.db2.gz HZKJBWKSPWHUSA-AWEZNQCLSA-N 0 2 387.827 3.372 10 0 GGAELN C[C@H]1SCCN(C(=O)c2cccc(Nc3nn[nH]n3)c2)[C@H]1c1ccccc1 ZINC001146709021 1442405049 /nfs/dbraw/zinc/40/50/49/1442405049.db2.gz IQQLGSXNXWBMRY-CXAGYDPISA-N 0 2 380.477 3.262 10 0 GGAELN COCC[C@@H]1CCN(C(=O)c2cccc(Nc3nn[nH]n3)c2)c2ccccc21 ZINC001124126322 1442411144 /nfs/dbraw/zinc/41/11/44/1442411144.db2.gz KLDPCIYOVLJVJG-AWEZNQCLSA-N 0 2 378.436 3.114 10 0 GGAELN COc1ccccc1[C@H]1CCCN(C(=O)c2cccc(Nc3nn[nH]n3)c2)CC1 ZINC000913775248 1449158234 /nfs/dbraw/zinc/15/82/34/1449158234.db2.gz DEHAGRHOHQVHDV-HNNXBMFYSA-N 0 2 392.463 3.362 10 0 GGAELN COc1ccccc1[C@@H]1CCCN(C(=O)c2cccc(Nc3nn[nH]n3)c2)CC1 ZINC000913775249 1450245459 /nfs/dbraw/zinc/24/54/59/1450245459.db2.gz DEHAGRHOHQVHDV-OAHLLOKOSA-N 0 2 392.463 3.362 10 0 GGAELN