smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)(C)CC(=O)Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2Cc2ccccn2)cc1 ZINC000067896719 291216677 /nfs/dbraw/zinc/21/66/77/291216677.db2.gz IQDUKPVNBWZIIW-DENIHFKCSA-N 0 0 411.502 2.917 40 0 biogenic,in-vitro HFABRN CCCNC(=O)N1CCC(O)(c2csc(CN(C)Cc3cccnc3)n2)CC1 ZINC000225426314 291218805 /nfs/dbraw/zinc/21/88/05/291218805.db2.gz AVDVLBOUPAEHAL-UHFFFAOYSA-N 0 0 403.552 2.573 40 0 biogenic,in-vitro HFABRN CCN(CC)Cc1nc(C2(O)CCN(C(=O)COc3ccccc3)CC2)cs1 ZINC000225464478 291218945 /nfs/dbraw/zinc/21/89/45/291218945.db2.gz FKIZKBIFXKADRY-UHFFFAOYSA-N 0 0 403.548 2.874 40 0 biogenic,in-vitro HFABRN CC1=C[C@@H](CNC(=O)c2ccncc2)[C@H](C(C)C)C[C@H]1CC(=O)N1CCN(C)CC1 ZINC000030880790 291217773 /nfs/dbraw/zinc/21/77/73/291217773.db2.gz ZUJYHTFNWOXMIK-FKBYEOEOSA-N 0 0 412.578 2.830 40 0 biogenic,in-vitro HFABRN COc1ccc([C@@H]2OC[C@@]3(O)[C@@H](c4ccc(OC)c(OC)c4)OC[C@@H]23)cc1OC ZINC000004782961 291225577 /nfs/dbraw/zinc/22/55/77/291225577.db2.gz MEIWPHMJWJAVIY-RWXMBLCBSA-N 0 0 402.443 2.911 40 0 biogenic,in-vitro HFABRN COc1ccc([C@H]2OC[C@@H]3[C@@H](c4ccc(OC)c(OC)c4)OC[C@@]32O)cc1OC ZINC000001669371 291225613 /nfs/dbraw/zinc/22/56/13/291225613.db2.gz MEIWPHMJWJAVIY-FPHUIIFBSA-N 0 0 402.443 2.911 40 0 biogenic,in-vitro HFABRN O=C(N[C@H]1CCN2C(=O)c3cc(Br)ccc3NC(=O)[C@@H]2C1)C1CCCC1 ZINC000003841300 291228381 /nfs/dbraw/zinc/22/83/81/291228381.db2.gz ISDPIVXJMHBTDS-BBRMVZONSA-N 0 0 420.307 2.681 40 0 biogenic,in-vitro HFABRN O=C(N[C@H]1CO[C@H]2[C@@H]1OC[C@@H]2Nc1nccc(C2CCCC2)n1)C1CCCCC1 ZINC000005433971 291228416 /nfs/dbraw/zinc/22/84/16/291228416.db2.gz LLDVCTGTRWOVHQ-VNTMZGSJSA-N 0 0 400.523 2.777 40 0 biogenic,in-vitro HFABRN C/C=C/Cn1c(=O)c2c(nc3n2CCCN3c2cc(Cl)ccc2OC)n(C)c1=O ZINC000005251997 132304291 /nfs/dbraw/zinc/30/42/91/132304291.db2.gz DCIZLIFPXUNUAU-SNAWJCMRSA-N 0 0 415.881 2.677 40 0 HFABRN C[C@H]1CCCN(c2ccc(NC(=O)Cn3nc(-c4ccco4)cc(N)c3=O)cc2)C1 ZINC000012146699 132355263 /nfs/dbraw/zinc/35/52/63/132355263.db2.gz MFZCXZJHHUTUNT-HNNXBMFYSA-N 0 0 407.474 2.961 40 0 HFABRN CCS(=O)(=O)N1CCN(c2ncc(-c3ccncc3C)c(-c3ccco3)n2)CC1 ZINC000012222221 132357041 /nfs/dbraw/zinc/35/70/41/132357041.db2.gz PHKXDVMGHNJMGC-UHFFFAOYSA-N 0 0 413.503 2.579 40 0 HFABRN CC(C)CCNC(=O)[C@@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1 ZINC000013682194 132458839 /nfs/dbraw/zinc/45/88/39/132458839.db2.gz AWDSCGNYLFQFPI-FQEVSTJZSA-N 0 0 402.516 2.946 40 0 HFABRN CS(=O)(=O)N1CCCc2ccc(NC(=O)CC[C@H]3c4ccccc4NC3=O)cc21 ZINC000019664837 132468773 /nfs/dbraw/zinc/46/87/73/132468773.db2.gz MJUWWGFRZHHUBB-KRWDZBQOSA-N 0 0 413.499 2.853 40 0 HFABRN c1ccc(OCCOc2nc3cc4c(cc3nc2N2CCOCC2)OCCO4)cc1 ZINC000028616922 132493446 /nfs/dbraw/zinc/49/34/46/132493446.db2.gz VGOXGLNQJBATCO-UHFFFAOYSA-N 0 0 409.442 2.695 40 0 HFABRN CC(=O)c1cccc(N(CC(=O)N(C)Cc2ccc(Cl)cc2)S(C)(=O)=O)c1 ZINC000020488006 518424073 /nfs/dbraw/zinc/42/40/73/518424073.db2.gz DIACKCVFFXSHHJ-UHFFFAOYSA-N 0 0 408.907 2.967 40 0 HFABRN CC(C)(C)NC(=O)Cn1c2sc(N3CCCC3)nc2c(-c2ccco2)nc1=O ZINC000032615524 518736507 /nfs/dbraw/zinc/73/65/07/518736507.db2.gz AKJPHPZXGKISKR-UHFFFAOYSA-N 0 0 401.492 2.628 40 0 HFABRN CC(=O)N[C@H]1CC[C@]2(C)CC[C@H]([C@H](C)C(=O)NCc3cccnc3)[C@H](O)[C@H]2[C@@H]1C ZINC000020466163 519701248 /nfs/dbraw/zinc/70/12/48/519701248.db2.gz XYIVJYVJZFZWEX-QCFJBSCTSA-N 0 0 401.551 2.662 40 0 biogenic,in-vitro HFABRN CCOC(=O)[C@]1(C)N[C@H](c2cccs2)[C@H]2C(=O)N(c3cccc(OC)c3)C(=O)[C@H]21 ZINC000245230116 521353481 /nfs/dbraw/zinc/35/34/81/521353481.db2.gz LTPNJGCWDGTTOP-ZGPJWRFFSA-N 0 0 414.483 2.529 40 0 HFABRN CCC(CC)CN(CC(=O)OC)Cn1nc2n(c1=S)c1ccccc1c(=O)n2C ZINC000032916188 521513779 /nfs/dbraw/zinc/51/37/79/521513779.db2.gz AJUOVMYTWDSOIA-UHFFFAOYSA-N 0 0 417.535 2.586 40 0 HFABRN CCc1ccccc1NC(=O)[C@@H]1CC(=O)Nc2nc(N3C[C@H](C)C[C@H](C)C3)[nH]c(=O)c21 ZINC000040388598 521902082 /nfs/dbraw/zinc/90/20/82/521902082.db2.gz XQXLQOPTOBLMDA-IJEWVQPXSA-N 0 0 423.517 2.879 40 0 HFABRN COC(=O)c1ccc2nc(C)cc(NC(=O)CCN3C(=O)c4ccccc4C3=O)c2c1 ZINC000032606036 522187956 /nfs/dbraw/zinc/18/79/56/522187956.db2.gz LXHJOLZVDAEVGD-UHFFFAOYSA-N 0 0 417.421 2.955 40 0 HFABRN CCc1nnc(NC(=O)CSc2nnc(COc3cccc(OC)c3)o2)s1 ZINC000019928623 522764627 /nfs/dbraw/zinc/76/46/27/522764627.db2.gz RWXHSVVPFGCRBN-UHFFFAOYSA-N 0 0 407.477 2.802 40 0 HFABRN CCn1c2ccc(S(=O)(=O)N3CCN(c4cccc(C)c4C)CC3)cc2oc1=O ZINC000019936869 523268855 /nfs/dbraw/zinc/26/88/55/523268855.db2.gz MVHOVGWMPUYHAU-UHFFFAOYSA-N 0 0 415.515 2.742 40 0 HFABRN COc1ccc(-n2ncc3c2N(CC(=O)N(C(C)C)C(C)C)C(=O)N2CCN=C32)cc1 ZINC000072347810 523352763 /nfs/dbraw/zinc/35/27/63/523352763.db2.gz MIMHIWVGRUAZRN-UHFFFAOYSA-N 0 0 424.505 2.529 40 0 HFABRN COc1ccc(C)cc1NC(=O)[C@H]1CC(=O)Nc2nc(Nc3ccccc3)[nH]c(=O)c21 ZINC000040399232 523840277 /nfs/dbraw/zinc/84/02/77/523840277.db2.gz ZELHMVMHRPRANM-AWEZNQCLSA-N 0 0 419.441 2.895 40 0 HFABRN COc1ccc(C2=NN(C(=O)COc3ccccc3OC)[C@](O)(C(F)(F)F)C2)cc1 ZINC000032101014 523877011 /nfs/dbraw/zinc/87/70/11/523877011.db2.gz XZQQMRAHPCPBIM-LJQANCHMSA-N 0 0 424.375 2.970 40 0 HFABRN Cc1cccc(C)c1NC(=O)Cn1cccc2c(=O)n(Cc3cccs3)c(=O)nc1-2 ZINC000032616602 524284261 /nfs/dbraw/zinc/28/42/61/524284261.db2.gz DIAWPSUEBAILDD-UHFFFAOYSA-N 0 0 420.494 2.875 40 0 HFABRN Cc1cc(C)cc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCCC[C@@H]4C)[nH]c(=O)c32)c1 ZINC000040390365 524431561 /nfs/dbraw/zinc/43/15/61/524431561.db2.gz YHFAZMJRHXMLJW-GOEBONIOSA-N 0 0 409.490 2.830 40 0 HFABRN Cc1cc(C)n(CCC(=O)N2CCC[C@H](c3ccnc4nc(C(F)(F)F)nn43)C2)n1 ZINC000072334986 524515749 /nfs/dbraw/zinc/51/57/49/524515749.db2.gz IZTPFVVXIKHTMD-AWEZNQCLSA-N 0 0 421.427 2.753 40 0 HFABRN COc1ccccc1OCc1ccc(C(=O)N2CCN(Cc3cnn(C)c3)CC2)o1 ZINC000020028667 524685542 /nfs/dbraw/zinc/68/55/42/524685542.db2.gz MOOQLBMZYSIOOF-UHFFFAOYSA-N 0 0 410.474 2.559 40 0 HFABRN COc1ccc(Nc2nc3c(c(=O)[nH]2)[C@H](C(=O)Nc2ccc(C)cc2)CC(=O)N3)cc1 ZINC000040399799 524719922 /nfs/dbraw/zinc/71/99/22/524719922.db2.gz ROQYVLJLIDJVBQ-MRXNPFEDSA-N 0 0 419.441 2.895 40 0 HFABRN Cc1ccc(N(CC(=O)Nc2ccc(N3CCCC3=O)cc2)S(C)(=O)=O)c(C)c1 ZINC000044903645 524895502 /nfs/dbraw/zinc/89/55/02/524895502.db2.gz KVGTVYVRBCMHIR-UHFFFAOYSA-N 0 0 415.515 2.835 40 0 HFABRN COc1ccc(S(=O)(=O)NCc2ccc(CN3CCCC3=O)cc2)c(C)c1C ZINC000225878138 525067262 /nfs/dbraw/zinc/06/72/62/525067262.db2.gz DFURCQPMFUDCNG-UHFFFAOYSA-N 0 0 402.516 2.913 40 0 HFABRN COc1ccc(S(=O)(=O)N[C@H](C)c2ccc(C)cc2)cc1C(=O)N1CCOCC1 ZINC000020108658 525073896 /nfs/dbraw/zinc/07/38/96/525073896.db2.gz GEQZSHWAGXKIPP-MRXNPFEDSA-N 0 0 418.515 2.516 40 0 HFABRN COc1ccc([C@@H](C)NC(=O)CCc2ccc(S(=O)(=O)N(C)C)cc2)cc1OC ZINC000020024402 525131030 /nfs/dbraw/zinc/13/10/30/525131030.db2.gz FECJHSIPBAXVJP-OAHLLOKOSA-N 0 0 420.531 2.764 40 0 HFABRN CS(=O)(=O)Nc1ccc(C(=O)N2CCN(c3ccccc3F)CC2)cc1Cl ZINC000044885427 525216218 /nfs/dbraw/zinc/21/62/18/525216218.db2.gz LEXPQURQGGGEGB-UHFFFAOYSA-N 0 0 411.886 2.813 40 0 HFABRN CS(=O)(=O)Nc1ccc(Cl)c(C(=O)N2CCN(c3ccc(F)cc3)CC2)c1 ZINC000020457811 525218721 /nfs/dbraw/zinc/21/87/21/525218721.db2.gz BTTHZLZGDIFOHT-UHFFFAOYSA-N 0 0 411.886 2.813 40 0 HFABRN CS(=O)(=O)c1cnc(N2CCCC2)nc1C1CCN(C(=O)c2cccs2)CC1 ZINC000072335889 525281650 /nfs/dbraw/zinc/28/16/50/525281650.db2.gz NWLGARGHYLAGPP-UHFFFAOYSA-N 0 0 420.560 2.562 40 0 HFABRN COc1ccc([C@H](C)NC(=O)CN(c2cccc(C(C)=O)c2)S(C)(=O)=O)cc1 ZINC000044900211 525305253 /nfs/dbraw/zinc/30/52/53/525305253.db2.gz YXWLCCCHPPERGU-AWEZNQCLSA-N 0 0 404.488 2.541 40 0 HFABRN Cc1ccc(OC[C@H](C)NS(=O)(=O)c2ccc3c(c2)sc(=O)n3C)cc1C ZINC000225683837 525436356 /nfs/dbraw/zinc/43/63/56/525436356.db2.gz KLTMDCMVKGMNFP-AWEZNQCLSA-N 0 0 406.529 2.963 40 0 HFABRN Cc1ccc([C@H](C)NC(=O)COc2ccc(CN(C)S(C)(=O)=O)cc2)c(C)c1 ZINC000020456026 525892086 /nfs/dbraw/zinc/89/20/86/525892086.db2.gz YHVZWIWRJJZXKK-KRWDZBQOSA-N 0 0 404.532 2.951 40 0 HFABRN Cc1ccc2c(c1)N[C@]1(CCC(=O)N([C@H](C)C(=O)N3CCC[C@H](C)C3)CC1)NC2=O ZINC000072327938 526173977 /nfs/dbraw/zinc/17/39/77/526173977.db2.gz PUKBQHNKFFAEQX-YGKZAACZSA-N 0 0 412.534 2.506 40 0 HFABRN Cc1n[nH]cc1C(=O)N1CCO[C@H](c2cc(C(=O)NCC(C)C)c3ccccc3n2)C1 ZINC000072352722 526542456 /nfs/dbraw/zinc/54/24/56/526542456.db2.gz BINOOKQTRSLLKY-NRFANRHFSA-N 0 0 421.501 2.866 40 0 HFABRN O=C([C@H]1COc2ccccc2O1)N(Cc1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000032594215 526558788 /nfs/dbraw/zinc/55/87/88/526558788.db2.gz FSRQWKOLVXEBMD-DNVCBOLYSA-N 0 0 421.902 2.696 40 0 HFABRN Cc1nc(Nc2cccc([C@@H]3CCCN3C(=O)c3ccc(=O)n(C)n3)n2)sc1C ZINC000072375429 527004228 /nfs/dbraw/zinc/00/42/28/527004228.db2.gz XJTJZTOPXRELRR-INIZCTEOSA-N 0 0 410.503 2.970 40 0 HFABRN O=C1NCC2(CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)Oc2ccccc21 ZINC000072391096 527061081 /nfs/dbraw/zinc/06/10/81/527061081.db2.gz QVNDWVDSNRDZLN-UHFFFAOYSA-N 0 0 404.463 2.608 40 0 HFABRN COc1cccc(OC)c1C(=O)NC(=S)Nc1ccc(N2CCOCC2)cc1 ZINC000006954676 537130484 /nfs/dbraw/zinc/13/04/84/537130484.db2.gz PZYHDNSGRDJPHZ-UHFFFAOYSA-N 0 0 401.488 2.667 40 0 HFABRN CC(C)Oc1ccc(N2C[C@H](C(=O)OCC(=O)NCc3ccccc3)CC2=O)cc1 ZINC000000800398 557084648 /nfs/dbraw/zinc/08/46/48/557084648.db2.gz IWERDGILPUGJMD-GOSISDBHSA-N 0 0 410.470 2.686 40 0 HFABRN CCc1c2nnc(SCC(=O)Nc3ccc(N4CCCC4)cc3)n2c(N)nc1C ZINC000001331473 557255983 /nfs/dbraw/zinc/25/59/83/557255983.db2.gz KMWRYLGKIUZURG-UHFFFAOYSA-N 0 0 411.535 2.908 40 0 HFABRN COc1ccc(-c2nnc(SCC(=O)NC(C)C)n2C[C@@H]2CCCO2)cc1OC ZINC000001355981 557256925 /nfs/dbraw/zinc/25/69/25/557256925.db2.gz OUHQAULROQNLJQ-HNNXBMFYSA-N 0 0 420.535 2.758 40 0 HFABRN CCOC(=O)[C@H]1CCCN(C(=O)c2ccc(N3C(=O)[C@H]4CCCC[C@@H]4C3=O)cc2)C1 ZINC000010272021 557260463 /nfs/dbraw/zinc/26/04/63/557260463.db2.gz NCVAZHHVMVDXNV-WDSOQIARSA-N 0 0 412.486 2.782 40 0 HFABRN CCOC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1Cc2c([nH]c3ccccc32)C=N1 ZINC000001607566 557275488 /nfs/dbraw/zinc/27/54/88/557275488.db2.gz OPTDGZYZZAGSGF-VQTJNVASSA-N 0 0 405.454 2.508 40 0 HFABRN O=C(Cc1nc2nnc(NC(=O)Nc3ccc(Cl)cc3)n2[nH]c1=O)c1ccccc1 ZINC000001612444 557275979 /nfs/dbraw/zinc/27/59/79/557275979.db2.gz QCXXKWCEDLTZBV-UHFFFAOYSA-N 0 0 423.820 2.535 40 0 HFABRN COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C ZINC000001697990 557281381 /nfs/dbraw/zinc/28/13/81/557281381.db2.gz AIHJFGQZJBMYEB-ZWKOTPCHSA-N 0 0 417.506 2.918 40 0 HFABRN CC(C)NS(=O)(=O)c1ccc(OCC(=O)N[C@@H](C)CCc2ccccc2)cc1 ZINC000408583306 557488001 /nfs/dbraw/zinc/48/80/01/557488001.db2.gz HGFNMIKXXXXIBT-KRWDZBQOSA-N 0 0 404.532 2.890 40 0 HFABRN COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@@H](C)CCc2ccccc2)cc1OC ZINC000408585534 557489270 /nfs/dbraw/zinc/48/92/70/557489270.db2.gz ZGHYTZAKICRJBX-HOTGVXAUSA-N 0 0 420.531 2.508 40 0 HFABRN COC(=O)c1ccc(C)c(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c1 ZINC000003556087 557492940 /nfs/dbraw/zinc/49/29/40/557492940.db2.gz DTGSEQVHEYCITH-UHFFFAOYSA-N 0 0 402.472 2.818 40 0 HFABRN COc1cccc(NS(=O)(=O)c2ccc(OCC(=O)NC3CCCC3)cc2)c1 ZINC000408586864 557493224 /nfs/dbraw/zinc/49/32/24/557493224.db2.gz CNAACLIOGIWBJK-UHFFFAOYSA-N 0 0 404.488 2.934 40 0 HFABRN COc1ccc(NC(=O)c2ccc(OC)c(S(=O)(=O)N3CCCC3)c2)c(OC)c1 ZINC000003606771 557494303 /nfs/dbraw/zinc/49/43/03/557494303.db2.gz RSFHOODXUAJUIH-UHFFFAOYSA-N 0 0 420.487 2.749 40 0 HFABRN CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)N[C@H](C)CCc2ccccc2)cc1 ZINC000408590358 557499771 /nfs/dbraw/zinc/49/97/71/557499771.db2.gz GHSAXNMBANGVMX-IAGOWNOFSA-N 0 0 404.532 2.890 40 0 HFABRN Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2Cl)cc1 ZINC000408592298 557505769 /nfs/dbraw/zinc/50/57/69/557505769.db2.gz JWRCLLXPMXINTO-UHFFFAOYSA-N 0 0 424.906 2.687 40 0 HFABRN Cc1ccc(NS(=O)(=O)c2ccc(O[C@@H](C)C(=O)N3CCOCC3)cc2)c(C)c1 ZINC000408597934 557508087 /nfs/dbraw/zinc/50/80/87/557508087.db2.gz WSHQFMJMGBUIPE-KRWDZBQOSA-N 0 0 418.515 2.730 40 0 HFABRN COCCNS(=O)(=O)c1ccc(OCC(=O)Nc2cccc3ccccc32)cc1 ZINC000408594000 557511886 /nfs/dbraw/zinc/51/18/86/557511886.db2.gz RJWSTRDFENSEJZ-UHFFFAOYSA-N 0 0 414.483 2.782 40 0 HFABRN O=C(CCc1ccc(S(=O)(=O)NC2CCCCC2)cc1)NCCCn1ccnc1 ZINC000408596187 557514133 /nfs/dbraw/zinc/51/41/33/557514133.db2.gz RMQCQMKKAGNPSC-UHFFFAOYSA-N 0 0 418.563 2.633 40 0 HFABRN COC[C@H](C)NC(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccccc1 ZINC000408607549 557519313 /nfs/dbraw/zinc/51/93/13/557519313.db2.gz MUOPZVMARUQIKO-HNNXBMFYSA-N 0 0 410.923 2.995 40 0 HFABRN CCN(CC)C(=O)c1ccccc1NC(=O)CN(c1cccc(C)c1)S(C)(=O)=O ZINC000408603130 557523597 /nfs/dbraw/zinc/52/35/97/557523597.db2.gz FNVOKALLFWOOFA-UHFFFAOYSA-N 0 0 417.531 2.882 40 0 HFABRN CNC(=O)c1cc(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)ccc1C ZINC000408604368 557526509 /nfs/dbraw/zinc/52/65/09/557526509.db2.gz MANDRIPIJPNFKK-UHFFFAOYSA-N 0 0 407.923 2.519 40 0 HFABRN C[C@H](Oc1ccc(S(=O)(=O)NCc2ccco2)cc1)C(=O)NC1CCCCC1 ZINC000408613525 557532952 /nfs/dbraw/zinc/53/29/52/557532952.db2.gz VBDWTERGYZNEQF-HNNXBMFYSA-N 0 0 406.504 2.974 40 0 HFABRN Cc1cccc(N(CC(=O)Nc2ccccc2C(=O)NC(C)(C)C)S(C)(=O)=O)c1 ZINC000408614791 557540234 /nfs/dbraw/zinc/54/02/34/557540234.db2.gz ICSVZMNUXZFFDM-UHFFFAOYSA-N 0 0 417.531 2.928 40 0 HFABRN 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/nfs/dbraw/zinc/32/08/10/558320810.db2.gz FEBJEPGGSFXEJA-OAHLLOKOSA-N 0 0 413.503 2.653 40 0 HFABRN Cc1ccc2c(c1)N[C@@]1(CCC(=O)N([C@@H](C)C(=O)N3CCC(C)CC3)CC1)NC2=O ZINC000012086518 558321808 /nfs/dbraw/zinc/32/18/08/558321808.db2.gz GEQVQVICHRXSBD-SBUREZEXSA-N 0 0 412.534 2.506 40 0 HFABRN Cn1cc(Cl)c(C(=O)N[C@@H]2C[C@@]3(CCC(=O)N(C)CC3)Oc3ccccc32)n1 ZINC000012086471 558321896 /nfs/dbraw/zinc/32/18/96/558321896.db2.gz NAMQACIOFCNGKH-QRWLVFNGSA-N 0 0 402.882 2.708 40 0 HFABRN CCN(c1ccc(OCC(=O)N[C@@H](C)c2ccc(OC)cc2)cc1)S(C)(=O)=O ZINC000020030521 558324118 /nfs/dbraw/zinc/32/41/18/558324118.db2.gz ZHQISVUOYWBMKL-HNNXBMFYSA-N 0 0 406.504 2.737 40 0 HFABRN COc1ccc(OCC(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2OC)cc1 ZINC000020038106 558325347 /nfs/dbraw/zinc/32/53/47/558325347.db2.gz RMQMODOEYFRTFV-UHFFFAOYSA-N 0 0 420.487 2.506 40 0 HFABRN CCOc1ccc(N([C@@H](C)C(=O)NCc2cccc(OCC)c2)S(C)(=O)=O)cc1 ZINC000020039554 558325571 /nfs/dbraw/zinc/32/55/71/558325571.db2.gz BTOKTIMCLSKZNN-INIZCTEOSA-N 0 0 420.531 2.955 40 0 HFABRN Cc1ccc([C@@H](C)NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)N(C)C)c(C)c1 ZINC000020039836 558325587 /nfs/dbraw/zinc/32/55/87/558325587.db2.gz JQPJQIRBBMOTGG-MRXNPFEDSA-N 0 0 407.511 2.933 40 0 HFABRN CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000020044308 558326779 /nfs/dbraw/zinc/32/67/79/558326779.db2.gz CBALJNPDGNCANC-LJQANCHMSA-N 0 0 418.515 2.812 40 0 HFABRN CCc1cc(=O)[nH]c(NC2CCN(CC(=O)Nc3cccc(C(F)(F)F)c3)CC2)n1 ZINC000012113700 558327050 /nfs/dbraw/zinc/32/70/50/558327050.db2.gz VDVCVFJASFLNLD-UHFFFAOYSA-N 0 0 423.439 2.866 40 0 HFABRN Cc1cc2c(cc3c(=O)n(CC(=O)N(Cc4ccncc4)C4CC4)nc(C)n23)s1 ZINC000012115371 558327805 /nfs/dbraw/zinc/32/78/05/558327805.db2.gz HVHKNYVLRJZCBO-UHFFFAOYSA-N 0 0 407.499 2.914 40 0 HFABRN CCc1nn(CC(=O)N(Cc2ccccn2)C2CC2)c(=O)c2cc3sccc3n21 ZINC000012115309 558327831 /nfs/dbraw/zinc/32/78/31/558327831.db2.gz LEBWWYZSHIOLNM-UHFFFAOYSA-N 0 0 407.499 2.859 40 0 HFABRN O=C(CN1C(=O)C[C@@H](Cc2ccccc2)C1=O)N1CCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000012116054 558328014 /nfs/dbraw/zinc/32/80/14/558328014.db2.gz LCKMLCPYEZEEHO-YLJYHZDGSA-N 0 0 416.481 2.844 40 0 HFABRN CC(C)Oc1ccc(NC(=O)CN(c2ccccc2F)S(=O)(=O)N(C)C)cc1 ZINC000020048266 558328089 /nfs/dbraw/zinc/32/80/89/558328089.db2.gz QGASRQDOCONQJC-UHFFFAOYSA-N 0 0 409.483 2.864 40 0 HFABRN C[C@H]1CCCC[C@@H]1NC(=O)Cn1c2ccccc2n2c(=O)n(Cc3cccnc3)nc12 ZINC000012117661 558329215 /nfs/dbraw/zinc/32/92/15/558329215.db2.gz ZWCFDTXRIBIUJC-WMZOPIPTSA-N 0 0 418.501 2.589 40 0 HFABRN Cc1cc(-c2cncnc2C2CCN(C(=O)Cn3nnc4ccccc43)CC2)on1 ZINC000012118318 558329861 /nfs/dbraw/zinc/32/98/61/558329861.db2.gz WTIJTNUJNYCDQA-UHFFFAOYSA-N 0 0 403.446 2.591 40 0 HFABRN COc1ccc([C@@H]2CN(S(=O)(=O)c3ccc(OC)cc3)C[C@H]2c2cc[nH]n2)cc1 ZINC000012128806 558331855 /nfs/dbraw/zinc/33/18/55/558331855.db2.gz SHTBHNCGEZBZIQ-VQTJNVASSA-N 0 0 413.499 2.999 40 0 HFABRN COc1ccc(-c2nnn(C3CCN(C(=O)CCc4c(C)noc4C)CC3)n2)cc1 ZINC000012143213 558335157 /nfs/dbraw/zinc/33/51/57/558335157.db2.gz AGNVXROCPOCSPX-UHFFFAOYSA-N 0 0 410.478 2.750 40 0 HFABRN O=C(C[C@@H]1NC(=O)c2ccccc21)N1CCC(n2nnc(-c3ccc(F)cc3)n2)CC1 ZINC000012143218 558335200 /nfs/dbraw/zinc/33/52/00/558335200.db2.gz HZTVBJCRZDWLPZ-IBGZPJMESA-N 0 0 420.448 2.518 40 0 HFABRN CCn1cc(C(=O)N[C@@H](Cn2nnc3ccccc32)C(C)C)c(=O)c2ccc(C)nc21 ZINC000012145063 558336277 /nfs/dbraw/zinc/33/62/77/558336277.db2.gz NVSCESCRTXRKJF-IBGZPJMESA-N 0 0 418.501 2.924 40 0 HFABRN C[C@@H]1CCCC[C@@H]1NC(=O)Cn1c2ccccc2n2c(=O)n(Cc3ccccn3)nc12 ZINC000012144997 558336303 /nfs/dbraw/zinc/33/63/03/558336303.db2.gz ROKCURCGGJXIPM-AEFFLSMTSA-N 0 0 418.501 2.589 40 0 HFABRN C[C@H]1CCCC[C@H]1NC(=O)Cn1c2ccccc2n2c(=O)n(Cc3ccccn3)nc12 ZINC000012145000 558336335 /nfs/dbraw/zinc/33/63/35/558336335.db2.gz ROKCURCGGJXIPM-FUHWJXTLSA-N 0 0 418.501 2.589 40 0 HFABRN O=C(CN1N=C(c2ccccc2)Cn2c3ccsc3cc2C1=O)NC[C@@H]1CCCO1 ZINC000012145895 558337326 /nfs/dbraw/zinc/33/73/26/558337326.db2.gz XSCRSKNJCCSOQP-INIZCTEOSA-N 0 0 422.510 2.858 40 0 HFABRN COc1ccc(Cn2c3nc(-c4ccc(C)c(C)c4)nc(C(N)=O)c3[nH]c2=O)cc1 ZINC000012145929 558337334 /nfs/dbraw/zinc/33/73/34/558337334.db2.gz HYOKULPLRWMPCM-UHFFFAOYSA-N 0 0 403.442 2.559 40 0 HFABRN NC(=O)c1nc(-c2ccc(-c3ccccc3)cc2)nc2c1[nH]c(=O)n2C[C@@H]1CCCO1 ZINC000012145923 558337373 /nfs/dbraw/zinc/33/73/73/558337373.db2.gz ZMNPGBZOEAWJBS-KRWDZBQOSA-N 0 0 415.453 2.732 40 0 HFABRN O=C(CN1c2ccccc2C(=O)N2CCC[C@@H]2C1=O)NC12CC3CC(CC(C3)C1)C2 ZINC000012146297 558337644 /nfs/dbraw/zinc/33/76/44/558337644.db2.gz JKVHXWZKEGQNEE-XOQVKLMPSA-N 0 0 407.514 2.723 40 0 HFABRN Cn1ccc([C@H]2CCCCCN2S(=O)(=O)c2ccc3c(c2)sc(=O)n3C)n1 ZINC000012159635 558341343 /nfs/dbraw/zinc/34/13/43/558341343.db2.gz JBSDYIUVIZWFEE-OAHLLOKOSA-N 0 0 406.533 2.640 40 0 HFABRN COc1ncc(C2(O)[C@@H]3CCC[C@H]2CN(Cc2cccc(F)c2F)C3)c(OC)n1 ZINC000012181018 558342690 /nfs/dbraw/zinc/34/26/90/558342690.db2.gz ONXQMEFBPYDAKL-YLQYIJTPSA-N 0 0 405.445 2.892 40 0 HFABRN CC[C@H](Cn1nc(-c2cccs2)ccc1=O)NC(=O)c1ccc2c(c1)OCCO2 ZINC000012182378 558343450 /nfs/dbraw/zinc/34/34/50/558343450.db2.gz VGVUWTJSUBPMPV-OAHLLOKOSA-N 0 0 411.483 2.952 40 0 HFABRN CCc1nc2ccccc2c(=O)n1CC1(O)CCN(C(=O)Cc2ccc(F)cc2)CC1 ZINC000012187205 558346014 /nfs/dbraw/zinc/34/60/14/558346014.db2.gz UTMFGBSIFBBUCL-UHFFFAOYSA-N 0 0 423.488 2.694 40 0 HFABRN COc1ccc(OC)c(NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)N(C)C)c1 ZINC000020244630 558351007 /nfs/dbraw/zinc/35/10/07/558351007.db2.gz UJIMSYJLZATHFS-UHFFFAOYSA-N 0 0 421.519 2.572 40 0 HFABRN COc1ccc(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)N(C)C)cc1Cl ZINC000020245186 558351420 /nfs/dbraw/zinc/35/14/20/558351420.db2.gz ZEGNGSKAFJHDDM-UHFFFAOYSA-N 0 0 415.874 2.739 40 0 HFABRN COc1ccc(-c2cc3nc(CCNC(=O)Cc4ccccc4OC)nn3cn2)cc1 ZINC000012234671 558358586 /nfs/dbraw/zinc/35/85/86/558358586.db2.gz CMURODNYWVVQKL-UHFFFAOYSA-N 0 0 417.469 2.710 40 0 HFABRN Cc1ccc(S(=O)(=O)N2C[C@@H](C)N(C(=O)CN3CCCCC3)[C@@H]2C(C)C)cc1 ZINC000020368112 558358773 /nfs/dbraw/zinc/35/87/73/558358773.db2.gz AOTICUSQQDCENT-WIYYLYMNSA-N 0 0 407.580 2.684 40 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ZINC000022232946 558469879 /nfs/dbraw/zinc/46/98/79/558469879.db2.gz KCUXUDJBLMCRRW-UHFFFAOYSA-N 0 0 408.907 2.964 40 0 HFABRN COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCCC2)cc1Cl ZINC000022246723 558472325 /nfs/dbraw/zinc/47/23/25/558472325.db2.gz WESAMPLHSGVQGU-SFHVURJKSA-N 0 0 422.934 2.861 40 0 HFABRN CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CCCCC2)cc1 ZINC000022247665 558472553 /nfs/dbraw/zinc/47/25/53/558472553.db2.gz LBUHRKYPBIHQPF-OAQYLSRUSA-N 0 0 416.543 2.987 40 0 HFABRN CCCNC(=O)c1cc(OC)c(OC)cc1N(Cc1ccccc1)S(C)(=O)=O ZINC000022253211 558474018 /nfs/dbraw/zinc/47/40/18/558474018.db2.gz RQYPELKYYYIRKD-UHFFFAOYSA-N 0 0 406.504 2.810 40 0 HFABRN CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NC(C)C)cc1C ZINC000022268067 558475117 /nfs/dbraw/zinc/47/51/17/558475117.db2.gz FVRVCZWFEOXBJA-IBGZPJMESA-N 0 0 404.532 2.808 40 0 HFABRN Cc1cc(C)cc(N(CC(=O)N[C@H](C)COc2ccccc2C)S(C)(=O)=O)c1 ZINC000022329259 558479298 /nfs/dbraw/zinc/47/92/98/558479298.db2.gz ZTUPMADRZCTQDQ-GOSISDBHSA-N 0 0 404.532 2.962 40 0 HFABRN CCc1ccccc1N(CC(=O)N[C@@H](C)COc1ccccc1C)S(C)(=O)=O ZINC000022329943 558479423 /nfs/dbraw/zinc/47/94/23/558479423.db2.gz SWSMBACJGMBXMD-KRWDZBQOSA-N 0 0 404.532 2.907 40 0 HFABRN Cc1ccc(OC[C@H](C)NC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)cc1 ZINC000022330632 558479947 /nfs/dbraw/zinc/47/99/47/558479947.db2.gz XESHXUYOYCAOLP-HNNXBMFYSA-N 0 0 410.923 2.998 40 0 HFABRN CCOc1ccc(CCCNC(=O)CN(c2ccc(OC)cc2)S(C)(=O)=O)cc1 ZINC000022332611 558480277 /nfs/dbraw/zinc/48/02/77/558480277.db2.gz UODOSVSRWVFCGU-UHFFFAOYSA-N 0 0 420.531 2.609 40 0 HFABRN COc1ccc(C)cc1N(CC(=O)N[C@@H]1CCCc2ccccc21)S(C)(=O)=O ZINC000022336461 558481381 /nfs/dbraw/zinc/48/13/81/558481381.db2.gz VBDQENRXHPSISD-GOSISDBHSA-N 0 0 402.516 2.963 40 0 HFABRN Cc1c(Cl)cccc1N(CC(=O)NCCN(C)c1ccccc1)S(C)(=O)=O ZINC000022337240 558481751 /nfs/dbraw/zinc/48/17/51/558481751.db2.gz WIBJZNRFBUHXBO-UHFFFAOYSA-N 0 0 409.939 2.667 40 0 HFABRN Cc1ccc(OC[C@H](C)NC(=O)CN(c2c(C)cccc2C)S(C)(=O)=O)cc1 ZINC000022338667 558482120 /nfs/dbraw/zinc/48/21/20/558482120.db2.gz VCSSVHDWIMXUJC-SFHVURJKSA-N 0 0 404.532 2.962 40 0 HFABRN CCOc1cccc(N(CC(=O)N[C@H](C)CCc2ccccc2)S(C)(=O)=O)c1 ZINC000022399999 558487116 /nfs/dbraw/zinc/48/71/16/558487116.db2.gz PDWSMJSVVDWAFT-QGZVFWFLSA-N 0 0 404.532 2.989 40 0 HFABRN COCc1nc(N2CCN(c3cccc(OC)c3)CC2)[nH]c(=O)c1CCC(C)C ZINC000022448891 558490233 /nfs/dbraw/zinc/49/02/33/558490233.db2.gz BVTSHRDYQYDFRA-UHFFFAOYSA-N 0 0 400.523 2.840 40 0 HFABRN CC[C@@H](NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C)c1ccc(OC)cc1 ZINC000022518012 558494085 /nfs/dbraw/zinc/49/40/85/558494085.db2.gz JZOKZJPGTGMRRC-LJQANCHMSA-N 0 0 423.510 2.715 40 0 HFABRN Cc1cccc(OC[C@H](O)CN2CCN(CC(=O)Nc3ccc(C)cc3C)CC2)c1 ZINC000022587158 558499966 /nfs/dbraw/zinc/49/99/66/558499966.db2.gz GIZNKRABTUYBJH-OAQYLSRUSA-N 0 0 411.546 2.608 40 0 HFABRN O=C(C[C@H]1Sc2nc3ccccc3c(=O)n2NC1=O)Nc1ccc(Cl)cc1 ZINC000022607199 558500899 /nfs/dbraw/zinc/50/08/99/558500899.db2.gz UCYVAVXMBNHSQC-CQSZACIVSA-N 0 0 400.847 2.623 40 0 HFABRN CCOc1ccc(Nc2nc(-c3cnc(N4CCOCC4)nc3C)cc(=O)[nH]2)cc1 ZINC000022607763 558500940 /nfs/dbraw/zinc/50/09/40/558500940.db2.gz KPAPHTAEAUDBCZ-UHFFFAOYSA-N 0 0 408.462 2.514 40 0 HFABRN CCN1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccccc3F)c(F)c2)CC1 ZINC000037093232 558507187 /nfs/dbraw/zinc/50/71/87/558507187.db2.gz MIYYMNZTOLPFFF-UHFFFAOYSA-N 0 0 409.458 2.543 40 0 HFABRN Cc1ccc([C@H](C)N2CCN(CC(=O)N3CCC[C@H](c4csnn4)C3)CC2)cc1 ZINC000022922429 558522488 /nfs/dbraw/zinc/52/24/88/558522488.db2.gz DWNHJVMHWYQPCF-ICSRJNTNSA-N 0 0 413.591 2.931 40 0 HFABRN Cc1cc(-c2cc(=O)n(CC(=O)NCCc3ccccc3)nc2-c2ccco2)on1 ZINC000013226219 558526438 /nfs/dbraw/zinc/52/64/38/558526438.db2.gz RHGXNCYWMWMADG-UHFFFAOYSA-N 0 0 404.426 2.826 40 0 HFABRN Cc1ccc(C(O)=C2[C@H](c3ccc4c(c3)OCO4)NC(=O)N[C@@]2(O)C(F)(F)F)cc1 ZINC000013427349 558532629 /nfs/dbraw/zinc/53/26/29/558532629.db2.gz HRMXAWGZWPUXLM-GJYPPUQNSA-N 0 0 422.359 2.828 40 0 HFABRN COc1cc(-c2nnc3s/c(=C\c4ccc(C)cc4)c(=O)n32)cc(OC)c1OC ZINC000013547074 558538048 /nfs/dbraw/zinc/53/80/48/558538048.db2.gz UWEIHVLPIGPERE-MFOYZWKCSA-N 0 0 409.467 2.700 40 0 HFABRN COc1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2cc(F)ccc2OC)C1 ZINC000013580711 558544403 /nfs/dbraw/zinc/54/44/03/558544403.db2.gz IOZJQVTZRMTLKL-AWEZNQCLSA-N 0 0 422.478 2.882 40 0 HFABRN CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2ccc(OC)c(OC)c2)cc1 ZINC000013633323 558552988 /nfs/dbraw/zinc/55/29/88/558552988.db2.gz GHISNNOGZPGMSD-UHFFFAOYSA-N 0 0 422.503 2.752 40 0 HFABRN C[C@@H]1CCCN(C(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)c3ccccc3O2)C1 ZINC000013669703 558561283 /nfs/dbraw/zinc/56/12/83/558561283.db2.gz SMXWBVZSALXBDB-UZLBHIALSA-N 0 0 400.500 2.901 40 0 HFABRN C[C@@H]1Cc2ccccc2N1C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O ZINC000013672464 558562957 /nfs/dbraw/zinc/56/29/57/558562957.db2.gz MHGGCSPMWSSZHV-OAHLLOKOSA-N 0 0 416.499 2.939 40 0 HFABRN CNC(=O)c1cc(S(=O)(=O)NCCSCc2ccc(C)cc2)ccc1OC ZINC000013680509 558566394 /nfs/dbraw/zinc/56/63/94/558566394.db2.gz HNWSWJZOMMBPSL-UHFFFAOYSA-N 0 0 408.545 2.575 40 0 HFABRN CCCCOC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)c(C(=O)NC)c2)cc1 ZINC000013682154 558567314 /nfs/dbraw/zinc/56/73/14/558567314.db2.gz KWYHDBSEWZMYKU-UHFFFAOYSA-N 0 0 420.487 2.813 40 0 HFABRN CC[C@@H](C(=O)N1CCN(c2ccccc2)CC1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000013715318 558578912 /nfs/dbraw/zinc/57/89/12/558578912.db2.gz TVTRRBQJRKDCSU-FQEVSTJZSA-N 0 0 419.522 2.719 40 0 HFABRN COc1ccc2nc(C)c(C(=O)NCCNS(=O)(=O)c3ccc(C)cc3)cc2c1 ZINC000026175686 558656809 /nfs/dbraw/zinc/65/68/09/558656809.db2.gz IVBYHPLOPVXWIL-UHFFFAOYSA-N 0 0 413.499 2.569 40 0 HFABRN CCN(CC)S(=O)(=O)c1ccc(CCC(=O)NCc2ccc(OC)cc2)cc1 ZINC000026524105 558662112 /nfs/dbraw/zinc/66/21/12/558662112.db2.gz HTKNEJCKKQLDDP-UHFFFAOYSA-N 0 0 404.532 2.975 40 0 HFABRN O=C(C[C@H]1CSC2=N[C@@H]3CCCC[C@@H]3C(=O)N21)NCc1cc(-c2ccco2)on1 ZINC000038754447 558664720 /nfs/dbraw/zinc/66/47/20/558664720.db2.gz CVTDEPZBYSSBEE-SOUVJXGZSA-N 0 0 414.487 2.813 40 0 HFABRN COC(=O)[C@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)CCN1C(=O)CSc2ccccc21 ZINC000040040536 558693117 /nfs/dbraw/zinc/69/31/17/558693117.db2.gz UTOGFUVJRGNAOO-YQQAZPJKSA-N 0 0 402.516 2.848 40 0 HFABRN CCN(Cc1nonc1C)C(=O)c1cc(-c2c(C)nn(CC)c2C)nc2c1cnn2C ZINC000036614041 558727748 /nfs/dbraw/zinc/72/77/48/558727748.db2.gz HBHGOSRFFRYFEM-UHFFFAOYSA-N 0 0 422.493 2.822 40 0 HFABRN O=C([C@@H]1CC(c2c(F)cccc2Cl)=NO1)N1CCN(Cc2ccccn2)CC1 ZINC000036615445 558729225 /nfs/dbraw/zinc/72/92/25/558729225.db2.gz PPVPSMUVURUGCE-SFHVURJKSA-N 0 0 402.857 2.712 40 0 HFABRN Cc1ccc(CN(C)C(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1 ZINC000015386286 558736938 /nfs/dbraw/zinc/73/69/38/558736938.db2.gz QTBZRDMQYHTZLU-UHFFFAOYSA-N 0 0 402.516 2.597 40 0 HFABRN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCCOc1ccccc1 ZINC000015555135 558743794 /nfs/dbraw/zinc/74/37/94/558743794.db2.gz YBUNQYCAEAGNSU-UHFFFAOYSA-N 0 0 402.516 2.978 40 0 HFABRN C[C@H](CCc1ccccc1)NC(=O)[C@@H]1CCN(S(C)(=O)=O)c2ccccc2O1 ZINC000030943951 558746152 /nfs/dbraw/zinc/74/61/52/558746152.db2.gz XDYRCAVHIAEEBH-UZLBHIALSA-N 0 0 402.516 2.741 40 0 HFABRN O=C(c1cccc(Cl)c1)N1CCc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000015716573 558749396 /nfs/dbraw/zinc/74/93/96/558749396.db2.gz BJLBZWBLRNAORX-UHFFFAOYSA-N 0 0 406.891 2.564 40 0 HFABRN Cc1ccc(OCCNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)cc1 ZINC000031614509 558751445 /nfs/dbraw/zinc/75/14/45/558751445.db2.gz ZUGLFUJFGWEHRH-SFHVURJKSA-N 0 0 402.516 2.591 40 0 HFABRN O=C(NC1CCCC1)[C@@H]1[C@H]2C(=O)N(CCc3c[nH]c4ccccc34)C[C@@]23C=C[C@@H]1O3 ZINC000015894197 558760874 /nfs/dbraw/zinc/76/08/74/558760874.db2.gz BKUUIFFOXCFCCJ-CIEVZJJWSA-N 0 0 405.498 2.551 40 0 biogenic HFABRN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=S)Nc1ccc(C)cc1 ZINC000016268501 558782680 /nfs/dbraw/zinc/78/26/80/558782680.db2.gz AJZZTJLEJKBYHQ-UHFFFAOYSA-N 0 0 421.544 2.833 40 0 HFABRN C[C@]12C[C@H](c3ccccc3O1)[C@H](C(=O)N1CCN(c3ccccc3F)CC1)C(=O)N2 ZINC000035127807 558788524 /nfs/dbraw/zinc/78/85/24/558788524.db2.gz FACSRXLPEPVMKK-NIJIEXERSA-N 0 0 409.461 2.503 40 0 HFABRN CCCNS(=O)(=O)c1ccc2nc(NC(=O)CN3CCCCCC3)sc2c1 ZINC000016740522 558803270 /nfs/dbraw/zinc/80/32/70/558803270.db2.gz ICBBXYPFMWGOOJ-UHFFFAOYSA-N 0 0 410.565 2.799 40 0 HFABRN COc1cccc(CCCNC(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)c1 ZINC000038753359 558813901 /nfs/dbraw/zinc/81/39/01/558813901.db2.gz TYLVNFVDOVOROC-KRWDZBQOSA-N 0 0 422.572 2.906 40 0 HFABRN COc1ccc(OC[C@H](C)NC(=O)c2cc(NS(C)(=O)=O)ccc2Cl)cc1 ZINC000038755102 558814459 /nfs/dbraw/zinc/81/44/59/558814459.db2.gz OMEMPKNULFUYKX-LBPRGKRZSA-N 0 0 412.895 2.917 40 0 HFABRN CC[C@H](Oc1cc(C)ccc1C)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000038756422 558814775 /nfs/dbraw/zinc/81/47/75/558814775.db2.gz GUGNFLPEPHJNMH-FQEVSTJZSA-N 0 0 416.543 2.994 40 0 HFABRN CS(=O)(=O)N1C[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)Oc2ccccc21 ZINC000038834736 558817846 /nfs/dbraw/zinc/81/78/46/558817846.db2.gz MFGDMIRIDDOTJB-HNNXBMFYSA-N 0 0 400.378 2.871 40 0 HFABRN CS(=O)(=O)N1C[C@@H](C(=O)Nc2ccccc2C(F)(F)F)Oc2ccccc21 ZINC000038849825 558818667 /nfs/dbraw/zinc/81/86/67/558818667.db2.gz UOMSREUOWKNZEL-HNNXBMFYSA-N 0 0 400.378 2.871 40 0 HFABRN O=C(c1ccc(Cn2ccnc2)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000038852691 558819077 /nfs/dbraw/zinc/81/90/77/558819077.db2.gz WWGHONXMEHNVFK-UHFFFAOYSA-N 0 0 404.470 2.618 40 0 HFABRN NC(=O)c1ccccc1NC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC000017482040 558827658 /nfs/dbraw/zinc/82/76/58/558827658.db2.gz HHVVLVMTRYNQIZ-UHFFFAOYSA-N 0 0 401.488 2.603 40 0 HFABRN Cc1cc(C)n2nc(C(=O)N3CCC[C@@H]([C@@H]4CC(=O)c5cc(F)ccc5O4)C3)nc2n1 ZINC000019117297 558842306 /nfs/dbraw/zinc/84/23/06/558842306.db2.gz MZBVIXLBVZQVIC-KUHUBIRLSA-N 0 0 423.448 2.766 40 0 HFABRN Cc1cc(C)n2nc(C(=O)N3CCC[C@H]([C@H]4CC(=O)c5cc(F)ccc5O4)C3)nc2n1 ZINC000019117308 558842310 /nfs/dbraw/zinc/84/23/10/558842310.db2.gz MZBVIXLBVZQVIC-IFXJQAMLSA-N 0 0 423.448 2.766 40 0 HFABRN Cc1csc2ncc(C(=O)N3CCN(c4cc(C)c5ccccc5n4)CC3)c(=O)n12 ZINC000019118992 558842733 /nfs/dbraw/zinc/84/27/33/558842733.db2.gz ZRYCMZUYHAWONY-UHFFFAOYSA-N 0 0 419.510 2.883 40 0 HFABRN Cc1cc(C(F)F)nn1CC(=O)N1CC[C@@H](c2nc(-c3cccnc3)cc(=O)[nH]2)C1 ZINC000019119139 558842757 /nfs/dbraw/zinc/84/27/57/558842757.db2.gz PNXWJXUCAUZZIM-CQSZACIVSA-N 0 0 414.416 2.703 40 0 HFABRN Cc1cc(-c2cnc(N3CCOCC3)nc2C2CCN(C(=O)c3ccco3)CC2)on1 ZINC000019123086 558844013 /nfs/dbraw/zinc/84/40/13/558844013.db2.gz QFMBSZKPKHTCLK-UHFFFAOYSA-N 0 0 423.473 2.889 40 0 HFABRN Cc1cc2nc(C)c(CCC(=O)N3CCN(C(=O)c4ccccc4F)CC3)c(C)n2n1 ZINC000019129011 558845172 /nfs/dbraw/zinc/84/51/72/558845172.db2.gz VZNWGGCFCSVZMK-UHFFFAOYSA-N 0 0 423.492 2.711 40 0 HFABRN Cc1ccc([C@@H]2CN(CC(=O)N3C[C@@H](C)O[C@@H](C)C3)C[C@H]2c2csnn2)cc1 ZINC000019211958 558848605 /nfs/dbraw/zinc/84/86/05/558848605.db2.gz XFWBVZLYKTZAPZ-OGWHTMIXSA-N 0 0 400.548 2.665 40 0 HFABRN Cc1onc(C(C)C)c1C(=O)N[C@H]1C[C@@H]2CN(S(=O)(=O)c3ccc(C)cc3)C[C@@H]21 ZINC000019211790 558848626 /nfs/dbraw/zinc/84/86/26/558848626.db2.gz WEINTNICQOCMTO-NJAFHUGGSA-N 0 0 417.531 2.854 40 0 HFABRN Cc1ccc(S(=O)(=O)N2C[C@H]3[C@H](C[C@@H]3NC(=O)Cc3ccc(F)cc3)C2)cc1 ZINC000019211742 558848647 /nfs/dbraw/zinc/84/86/47/558848647.db2.gz YOBZQKCQNYJAAY-UXPWSPDFSA-N 0 0 402.491 2.502 40 0 HFABRN Cc1ccc(-c2cccc(C[C@]3(C(N)=O)CN(C(=O)c4ccccn4)CCO3)c2)cc1 ZINC000019212740 558848867 /nfs/dbraw/zinc/84/88/67/558848867.db2.gz FIYDVUOMBBOSIB-RUZDIDTESA-N 0 0 415.493 2.996 40 0 HFABRN COCC(=O)N1CCO[C@](Cc2cccc(-c3ccc(C)cc3)c2)(C(=O)N(C)C)C1 ZINC000019212684 558848874 /nfs/dbraw/zinc/84/88/74/558848874.db2.gz OARYYQCKTWCTLM-DEOSSOPVSA-N 0 0 410.514 2.537 40 0 HFABRN Cc1ccc(-c2ccc(C[C@]3(C(N)=O)CCCN(C(=O)c4nc[nH]n4)C3)cc2)cc1 ZINC000019212457 558848877 /nfs/dbraw/zinc/84/88/77/558848877.db2.gz INUVAPANYOPKIK-HSZRJFAPSA-N 0 0 403.486 2.731 40 0 HFABRN CNc1nsnc1C(=O)NCCn1c2ccc(C)cc2c(=O)cc1C(F)(F)F ZINC000019219972 558851529 /nfs/dbraw/zinc/85/15/29/558851529.db2.gz HHGDJWVMVVKIDS-UHFFFAOYSA-N 0 0 411.409 2.652 40 0 HFABRN Cc1ccc2oc(C(=O)N3CCN(Cc4nc5ccccc5c(=O)[nH]4)CC3)cc2c1 ZINC000019221337 558851926 /nfs/dbraw/zinc/85/19/26/558851926.db2.gz OXTODYKRBXWRAB-UHFFFAOYSA-N 0 0 402.454 2.936 40 0 HFABRN Cc1cccc(CC(=O)N2CCC(c3n[nH]cc3C(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)c1 ZINC000019234637 558854007 /nfs/dbraw/zinc/85/40/07/558854007.db2.gz PEURAWYEGXJKRI-ROUUACIJSA-N 0 0 424.545 2.916 40 0 HFABRN Cc1cc(C)n(CC(=O)N2CCc3onc(Nc4cccc(C)c4C)c3C2)c(=O)n1 ZINC000019235662 558854797 /nfs/dbraw/zinc/85/47/97/558854797.db2.gz IORPPLMLIMYUBY-UHFFFAOYSA-N 0 0 407.474 2.793 40 0 HFABRN Cc1cccc(C)c1OCC(=O)N1CC[C@@H](c2cc(=O)[nH]c(-c3ccccn3)n2)C1 ZINC000019236028 558855140 /nfs/dbraw/zinc/85/51/40/558855140.db2.gz ZZDBRMXXJJKEKJ-QGZVFWFLSA-N 0 0 404.470 2.844 40 0 HFABRN Cc1ccccc1C1=NO[C@@H](CC2(C(=O)N3CC[C@H](O)[C@H](C)C3)CCOCC2)C1 ZINC000019236943 558856333 /nfs/dbraw/zinc/85/63/33/558856333.db2.gz ITUQTDAALZWFSM-OPYAIIAOSA-N 0 0 400.519 2.904 40 0 HFABRN Cc1cnc(C(=O)N(C[C@H]2CCCO2)c2nc3c(s2)CCc2c-3cnn2C)cn1 ZINC000019238790 558857458 /nfs/dbraw/zinc/85/74/58/558857458.db2.gz BJKHLTHUFZEXDP-CYBMUJFWSA-N 0 0 410.503 2.566 40 0 HFABRN COc1ccc2c(c1)c(-c1nc(C)ncc1CNC(=O)c1ccn(C)c(=O)c1)cn2C ZINC000019287137 558860810 /nfs/dbraw/zinc/86/08/10/558860810.db2.gz MZFKOIISERHGNL-UHFFFAOYSA-N 0 0 417.469 2.581 40 0 HFABRN Cn1cc(C(=O)N2CCO[C@H](c3nc(Cc4cccc(C(F)(F)F)c4)no3)C2)cn1 ZINC000019290568 558863033 /nfs/dbraw/zinc/86/30/33/558863033.db2.gz OVURMWVWHJUGSR-HNNXBMFYSA-N 0 0 421.379 2.626 40 0 HFABRN Cc1ccc(S(=O)(=O)NC[C@@H](C)NS(=O)(=O)c2ccc(C)c(C)c2)cc1C ZINC000054363255 558867797 /nfs/dbraw/zinc/86/77/97/558867797.db2.gz PHCMHBAYVKJCRD-QGZVFWFLSA-N 0 0 410.561 2.566 40 0 HFABRN O=C(c1ccc(F)cc1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CN(C(=O)C1CC1)CC2 ZINC000019332040 558868748 /nfs/dbraw/zinc/86/87/48/558868748.db2.gz PRLKQVCWXVQKNP-IBGZPJMESA-N 0 0 424.476 2.571 40 0 HFABRN COc1ccccc1[C@H]([C@H](C(=O)c1ccccc1)N1CCOCC1)N1CCOCC1 ZINC000019365977 558876852 /nfs/dbraw/zinc/87/68/52/558876852.db2.gz CYGSMUPSBWPCNB-DHIUTWEWSA-N 0 0 410.514 2.652 40 0 HFABRN NC(=O)[C@@]1(Cc2cccc(-c3ccccc3)c2)CN(C(=O)c2ccccn2)CCO1 ZINC000019374220 558881165 /nfs/dbraw/zinc/88/11/65/558881165.db2.gz NXUVDKROJMYIIX-XMMPIXPASA-N 0 0 401.466 2.688 40 0 HFABRN O=C(c1cc(C2CC2)on1)N1CCC[C@H](C2=NS(=O)(=O)c3ccccc3N2)C1 ZINC000019375657 558881921 /nfs/dbraw/zinc/88/19/21/558881921.db2.gz DEGCUIDDDFLZED-ZDUSSCGKSA-N 0 0 400.460 2.617 40 0 HFABRN O=C(COc1ccc(F)c(Cl)c1)N1CCO[C@@H](c2nc(-c3ccccn3)no2)C1 ZINC000019403041 558883959 /nfs/dbraw/zinc/88/39/59/558883959.db2.gz LAKBGEZBEWUBHW-MRXNPFEDSA-N 0 0 418.812 2.903 40 0 HFABRN O=C(COc1cccc2cccnc21)N1CCO[C@@H](c2nc(-c3ccccn3)no2)C1 ZINC000019403047 558884007 /nfs/dbraw/zinc/88/40/07/558884007.db2.gz UZWGVXDGDPITOK-GOSISDBHSA-N 0 0 417.425 2.659 40 0 HFABRN Cc1ccccc1OC[C@@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000055694423 558884019 /nfs/dbraw/zinc/88/40/19/558884019.db2.gz VEXJMTQEVHQOAO-GOSISDBHSA-N 0 0 416.543 2.979 40 0 HFABRN COc1cc(C)c(S(=O)(=O)NCc2ccccc2CN2CCCC2=O)cc1C ZINC000056036240 558884883 /nfs/dbraw/zinc/88/48/83/558884883.db2.gz NNUITRSFAIMNTB-UHFFFAOYSA-N 0 0 402.516 2.913 40 0 HFABRN CC(C)[C@H](NC(=O)Cc1ccc2c(c1)OCCO2)c1cc(=O)[nH]c(-c2ccccn2)n1 ZINC000019445581 558885699 /nfs/dbraw/zinc/88/56/99/558885699.db2.gz SJQMNKUBFLNYCW-QFIPXVFZSA-N 0 0 420.469 2.659 40 0 HFABRN C[C@H](C(=O)N(C)c1nc2c(s1)CCc1c-2cnn1C)c1n[nH]c(=O)c2ccccc21 ZINC000019458046 558892400 /nfs/dbraw/zinc/89/24/00/558892400.db2.gz WJFANSBWYGXABR-NSHDSACASA-N 0 0 420.498 2.645 40 0 HFABRN C[C@@H]1CN(C(=O)c2c[nH]nc2C2CCN(C(=O)CC3CCCC3)CC2)C[C@H](C)O1 ZINC000019497287 558896187 /nfs/dbraw/zinc/89/61/87/558896187.db2.gz BDKIKSYPYQHEJN-IYBDPMFKSA-N 0 0 402.539 2.945 40 0 HFABRN C[C@@H]1CCc2noc(C3CCN(C(=O)[C@@H]4CC(=O)N(Cc5ccncc5)C4)CC3)c2C1 ZINC000019497167 558896211 /nfs/dbraw/zinc/89/62/11/558896211.db2.gz FYDRMIKPTZTDCC-VQIMIIECSA-N 0 0 422.529 2.949 40 0 HFABRN CC[C@@H]1C[C@H](C(F)(F)F)n2nc(C(=O)N3CCN(Cc4ccccn4)CC3)cc2N1 ZINC000019520569 558901480 /nfs/dbraw/zinc/90/14/80/558901480.db2.gz XLZLPVWHZUOIJB-RHSMWYFYSA-N 0 0 422.455 2.934 40 0 HFABRN CCN1C[C@H](C(=O)N2CCC[C@H]2c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C)N3)CC1=O ZINC000019526914 558908149 /nfs/dbraw/zinc/90/81/49/558908149.db2.gz KCOYCRVHIGUBLI-RJZRQDKASA-N 0 0 413.444 2.723 40 0 HFABRN CCOC(=O)[C@@]1(C)N[C@@H](c2cccs2)[C@H]2C(=O)N(c3cccc(OC)c3)C(=O)[C@H]21 ZINC000019529806 558911242 /nfs/dbraw/zinc/91/12/42/558911242.db2.gz LTPNJGCWDGTTOP-IAGYGMIVSA-N 0 0 414.483 2.529 40 0 HFABRN CCOc1ccc(CC(=O)N2CC[C@@H](c3cc(=O)[nH]c(-c4ccncc4)n3)C2)cc1 ZINC000019532796 558912807 /nfs/dbraw/zinc/91/28/07/558912807.db2.gz BHKHECUVBWNDDI-GOSISDBHSA-N 0 0 404.470 2.789 40 0 HFABRN CCOc1ccc(CC(=O)N2CC[C@@H](c3cc(=O)[nH]c(-c4ccccn4)n3)C2)cc1 ZINC000019532792 558912855 /nfs/dbraw/zinc/91/28/55/558912855.db2.gz XLVXDMOGCOEERD-QGZVFWFLSA-N 0 0 404.470 2.789 40 0 HFABRN CCOc1ccc(CC(=O)N2CCN(Cc3cc(-c4cccnc4)nn3C)CC2)cc1 ZINC000019533012 558913057 /nfs/dbraw/zinc/91/30/57/558913057.db2.gz PKVMASDWVWTZNB-UHFFFAOYSA-N 0 0 419.529 2.768 40 0 HFABRN Cc1c(S(=O)(=O)N2CCC[C@@H]2c2ccnc3cc(C(C)(C)C)nn32)cnn1C ZINC000019553902 558916845 /nfs/dbraw/zinc/91/68/45/558916845.db2.gz GHDQHLWIPNHGRS-CQSZACIVSA-N 0 0 402.524 2.595 40 0 HFABRN O=C([O-])[C@H]1COC2(CC[NH+](Cc3ccccc3)CC2)N1C(=O)c1cc(F)cc(F)c1 ZINC000071980675 558917374 /nfs/dbraw/zinc/91/73/74/558917374.db2.gz QETNGYSETFWROB-LJQANCHMSA-N 0 0 416.424 2.883 40 0 HFABRN COc1ccc(-n2ncc(C(=O)[C@@H]3CCCN(C(=O)c4cccnc4)C3)c2N)cc1 ZINC000019558699 558920335 /nfs/dbraw/zinc/92/03/35/558920335.db2.gz MSRDDBCUXAJSKG-MRXNPFEDSA-N 0 0 405.458 2.593 40 0 HFABRN Cc1nonc1CC(=O)N1CCC(c2nc(NC3CC3)ncc2-c2ccncc2)CC1 ZINC000019558943 558920525 /nfs/dbraw/zinc/92/05/25/558920525.db2.gz TWIDQZGNJJWOEA-UHFFFAOYSA-N 0 0 419.489 2.753 40 0 HFABRN COc1ccc2[nH]cc(-c3csc(NC(=O)CCCN4C(=O)CNC4=O)n3)c2c1 ZINC000019563231 558923578 /nfs/dbraw/zinc/92/35/78/558923578.db2.gz ADNSNQYIUFLYBN-UHFFFAOYSA-N 0 0 413.459 2.571 40 0 HFABRN Cc1nnsc1C(=O)N1CC[C@H](c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C)N3)C1 ZINC000019563385 558923696 /nfs/dbraw/zinc/92/36/96/558923696.db2.gz FAYRSOGXCJIENB-UBHAPETDSA-N 0 0 400.430 2.980 40 0 HFABRN COc1cccc(OC)c1OCC(=O)NCc1ccc(-c2ccnc3ncnn32)cc1 ZINC000019568233 558927285 /nfs/dbraw/zinc/92/72/85/558927285.db2.gz KELZCBRJISAJHW-UHFFFAOYSA-N 0 0 419.441 2.504 40 0 HFABRN C[C@@H]1CN(Cc2ccco2)[C@H](C)CN1CC(=O)Nc1ccccc1N1CCOCC1 ZINC000072324281 558933162 /nfs/dbraw/zinc/93/31/62/558933162.db2.gz HSOGGCPBSSUYCB-RTBURBONSA-N 0 0 412.534 2.650 40 0 HFABRN CC(=O)N1CCCc2cc(S(=O)(=O)N(Cc3c(C)nn(C)c3C)C3CC3)ccc21 ZINC000019577808 558933531 /nfs/dbraw/zinc/93/35/31/558933531.db2.gz UKZZKLHBFJVJRB-UHFFFAOYSA-N 0 0 416.547 2.689 40 0 HFABRN CC(=O)N1CCN(c2ncc(-c3ccc4c(c3)OCO4)c(-c3cccnc3)n2)CC1 ZINC000072339458 558938729 /nfs/dbraw/zinc/93/87/29/558938729.db2.gz OFOOWFDFUIWRJT-UHFFFAOYSA-N 0 0 403.442 2.603 40 0 HFABRN O=C(Cc1n[nH]c(=O)c2ccccc12)N1C[C@@H]2CCC[C@](O)(c3ccccc3F)[C@@H]2C1 ZINC000072340100 558938812 /nfs/dbraw/zinc/93/88/12/558938812.db2.gz SKJFYLALUXFHGU-BQMFCVJUSA-N 0 0 421.472 2.751 40 0 HFABRN COc1ccc([C@@H](CN(C)C(=O)[C@H]2CC(=O)Nc3ccccc32)N2CCOCC2)cc1 ZINC000019585953 558939279 /nfs/dbraw/zinc/93/92/79/558939279.db2.gz NHBSUVQOTUKBCW-RBBKRZOGSA-N 0 0 423.513 2.653 40 0 HFABRN Cc1ccn(CCNS(=O)(=O)c2ccc3c(c2)[C@H](NC(=O)c2ccccc2)CC3)n1 ZINC000072345853 558942227 /nfs/dbraw/zinc/94/22/27/558942227.db2.gz WLHFCKVIPMXJNT-OAQYLSRUSA-N 0 0 424.526 2.587 40 0 HFABRN C[C@@H]1CCC[C@@H](C)N1C(=O)Cn1c2ccccc2n2c(=O)n(Cc3ccccn3)nc12 ZINC000072347066 558943631 /nfs/dbraw/zinc/94/36/31/558943631.db2.gz CUZZHCQTTJARBG-IAGOWNOFSA-N 0 0 418.501 2.684 40 0 HFABRN C[C@H]1CCC[C@H](C)N1C(=O)Cn1c2ccccc2n2c(=O)n(Cc3ccccn3)nc12 ZINC000072347065 558943633 /nfs/dbraw/zinc/94/36/33/558943633.db2.gz CUZZHCQTTJARBG-IRXDYDNUSA-N 0 0 418.501 2.684 40 0 HFABRN COc1ncccc1-c1cc(=O)[nH]c([C@@H]2CCCN2C(=O)c2ccc3c(c2)OCO3)n1 ZINC000019594655 558945377 /nfs/dbraw/zinc/94/53/77/558945377.db2.gz STDCPUBLKNICIK-INIZCTEOSA-N 0 0 420.425 2.547 40 0 HFABRN Cc1nc(N)c2c(C(F)(F)F)cc([C@@H]3CCCN(C(=O)Cn4ccnc4)C3)nc2n1 ZINC000072350863 558947666 /nfs/dbraw/zinc/94/76/66/558947666.db2.gz MVIYKNJXEGVDQH-GFCCVEGCSA-N 0 0 419.411 2.537 40 0 HFABRN Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCC[C@H](C)C4)[nH]c(=O)c32)c(C)c1 ZINC000040388972 558947894 /nfs/dbraw/zinc/94/78/94/558947894.db2.gz UWSCUIVHGPZPHJ-DZGCQCFKSA-N 0 0 409.490 2.688 40 0 HFABRN Cc1cc(C)n(CCc2nnc(NC(=O)CCn3c(=O)oc4ccccc43)s2)n1 ZINC000019658261 558950171 /nfs/dbraw/zinc/95/01/71/558950171.db2.gz JHAQUKVEHVOIRM-UHFFFAOYSA-N 0 0 412.475 2.531 40 0 HFABRN CCN(CC)S(=O)(=O)N1CCC[C@H](c2ccc(Nc3nc(C)cc(C)n3)cn2)C1 ZINC000072353312 558950196 /nfs/dbraw/zinc/95/01/96/558950196.db2.gz HYLVPNBKXYKMRU-KRWDZBQOSA-N 0 0 418.567 2.998 40 0 HFABRN C[C@H](C(=O)NCC1(c2ccccc2Cl)CC1)N1C(=O)c2ccccc2S1(=O)=O ZINC000019659352 558950950 /nfs/dbraw/zinc/95/09/50/558950950.db2.gz DBYAVOXQICREJX-CYBMUJFWSA-N 0 0 418.902 2.721 40 0 HFABRN CC(C)NC(=O)c1cc([C@H]2CN(C(=O)c3cccnc3)CCO2)nc2ccccc21 ZINC000072355000 558952298 /nfs/dbraw/zinc/95/22/98/558952298.db2.gz XJJRIRPWVCVZLE-OAQYLSRUSA-N 0 0 404.470 2.982 40 0 HFABRN Nc1ncc(-c2ccc(Cl)cc2)c([C@@H]2CCCN2S(=O)(=O)c2cn[nH]c2)n1 ZINC000072354950 558952304 /nfs/dbraw/zinc/95/23/04/558952304.db2.gz HGZZYMSYCDHZNN-HNNXBMFYSA-N 0 0 404.883 2.628 40 0 HFABRN Cc1ccc(-c2nnn(CC(=O)Nc3cccc(C(=O)N4CCCC4)c3C)n2)cc1 ZINC000019661709 558952686 /nfs/dbraw/zinc/95/26/86/558952686.db2.gz BZAVDCHXBVYTHZ-UHFFFAOYSA-N 0 0 404.474 2.832 40 0 HFABRN CN1C(=O)N(CC(=O)NCCc2nc(C(C)(C)C)cs2)C(=O)C12CCCCC2 ZINC000019661568 558952688 /nfs/dbraw/zinc/95/26/88/558952688.db2.gz SALDLULCLUTNEI-UHFFFAOYSA-N 0 0 406.552 2.696 40 0 HFABRN Cc1cccc(Cc2cc(C)nc([C@@H]3CCCN(C(=O)CNS(C)(=O)=O)C3)c2)c1 ZINC000072356207 558953149 /nfs/dbraw/zinc/95/31/49/558953149.db2.gz OFVKGJQEBUIEDD-HXUWFJFHSA-N 0 0 415.559 2.544 40 0 HFABRN NC(=O)c1cccc(-c2nccnc2[C@H]2CCCN(CC(=O)Nc3nccs3)C2)c1 ZINC000072358606 558954311 /nfs/dbraw/zinc/95/43/11/558954311.db2.gz OTSFCFDKSGRNEP-INIZCTEOSA-N 0 0 422.514 2.517 40 0 HFABRN NC(=O)c1cccc(-c2nccnc2[C@@H]2CCCN(C(=O)Cc3ccccn3)C2)c1 ZINC000072358862 558954595 /nfs/dbraw/zinc/95/45/95/558954595.db2.gz YCNNAQAEECMTGY-GOSISDBHSA-N 0 0 401.470 2.586 40 0 HFABRN CCN(CC)S(=O)(=O)N1CC[C@H](c2cc(CCOc3ccc(F)cc3)[nH]n2)C1 ZINC000072371327 558957971 /nfs/dbraw/zinc/95/79/71/558957971.db2.gz HGJVHCPMSUXEEP-HNNXBMFYSA-N 0 0 410.515 2.546 40 0 HFABRN COc1ccc(OC)c(CN(C)S(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)c1 ZINC000063764946 558958955 /nfs/dbraw/zinc/95/89/55/558958955.db2.gz QXBNYLITLQNENH-UHFFFAOYSA-N 0 0 418.515 2.824 40 0 HFABRN COC(=O)C1=C(C)NC(C)=C2C(=O)Oc3ccc(I)cc3[C@@H]12 ZINC000019690615 558960076 /nfs/dbraw/zinc/96/00/76/558960076.db2.gz MSKOLJIKWSMJPY-AWEZNQCLSA-N 0 0 411.195 2.618 40 0 HFABRN Cc1nonc1CC(=O)N1CCC[C@@H](c2nc(N(C)C)ncc2-c2ccccc2F)C1 ZINC000019693942 558961839 /nfs/dbraw/zinc/96/18/39/558961839.db2.gz USUSJIWQXHXPAI-OAHLLOKOSA-N 0 0 424.480 2.989 40 0 HFABRN Cc1n[nH]c(C)c1CNC(=O)c1ccc(C2CCN(C(=O)c3ccccn3)CC2)nc1 ZINC000072374438 558961877 /nfs/dbraw/zinc/96/18/77/558961877.db2.gz MMLZEDMYBRGKNH-UHFFFAOYSA-N 0 0 418.501 2.766 40 0 HFABRN CNc1cc([C@@H]2CC(=O)N(c3ccc(F)cc3)C2)nc(C2CCN(C(C)=O)CC2)n1 ZINC000019697472 558965024 /nfs/dbraw/zinc/96/50/24/558965024.db2.gz DYJXBPGWSKPSOZ-MRXNPFEDSA-N 0 0 411.481 2.904 40 0 HFABRN CC(=O)N1CCC(c2nc([C@H]3CC(=O)N(Cc4ccccc4)C3)cc(N(C)C)n2)CC1 ZINC000019697469 558965101 /nfs/dbraw/zinc/96/51/01/558965101.db2.gz ILTKXBOINKUMIC-FQEVSTJZSA-N 0 0 421.545 2.785 40 0 HFABRN Cn1cc(C(=O)N2CCCC[C@H]2c2nc(N)ncc2-c2cccc(F)c2)ccc1=O ZINC000072377204 558966469 /nfs/dbraw/zinc/96/64/69/558966469.db2.gz MULMIBIWHPOUOZ-SFHVURJKSA-N 0 0 407.449 2.931 40 0 HFABRN CNc1nc(C2CCN(C(=O)CCc3ccccc3)CC2)nc2c1CCN(C(C)=O)C2 ZINC000072380124 558968359 /nfs/dbraw/zinc/96/83/59/558968359.db2.gz IDUSPAIMODFQIM-UHFFFAOYSA-N 0 0 421.545 2.762 40 0 HFABRN O=C(c1cc([C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)[nH]n1)N1CCOCC1 ZINC000072380604 558968528 /nfs/dbraw/zinc/96/85/28/558968528.db2.gz CAEKCHDJDDXYDW-HNNXBMFYSA-N 0 0 402.882 2.555 40 0 HFABRN O=C(c1cc([C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)[nH]n1)N1CCOCC1 ZINC000072380605 558968581 /nfs/dbraw/zinc/96/85/81/558968581.db2.gz CAEKCHDJDDXYDW-OAHLLOKOSA-N 0 0 402.882 2.555 40 0 HFABRN Cc1nc([C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)nc2c1CCCN2C ZINC000019706535 558968745 /nfs/dbraw/zinc/96/87/45/558968745.db2.gz MMHIFUGQUDVWRI-OAHLLOKOSA-N 0 0 404.511 2.875 40 0 HFABRN COCCn1c2ncccc2n(CC(=O)NC(c2ccccc2)c2ccccc2)c1=O ZINC000072389492 558969940 /nfs/dbraw/zinc/96/99/40/558969940.db2.gz SATMXRAVLMZDRC-UHFFFAOYSA-N 0 0 416.481 2.750 40 0 HFABRN CN(C)c1nc([C@@H]2CCCCN2C(=O)Cc2ccc(F)cc2)nc2c1CN(C)CC2 ZINC000019710349 558972284 /nfs/dbraw/zinc/97/22/84/558972284.db2.gz NNNIOJQXVXYJBS-FQEVSTJZSA-N 0 0 411.525 2.966 40 0 HFABRN CNc1nc(C2CCN(C(=O)CCOc3ccccc3C)CC2)nc2c1CN(C)CC2 ZINC000019711403 558973801 /nfs/dbraw/zinc/97/38/01/558973801.db2.gz HNMGSMXOQCGKKR-UHFFFAOYSA-N 0 0 423.561 2.990 40 0 HFABRN COc1ccc([C@@H](NC(=O)c2cc(C(C)C)nc3c2c(=O)[nH]c(=O)n3C)C2CC2)cc1 ZINC000019714566 558974588 /nfs/dbraw/zinc/97/45/88/558974588.db2.gz VILIDZLWQMGKIB-IBGZPJMESA-N 0 0 422.485 2.635 40 0 HFABRN O=C(NC[C@H](c1cccnc1)N1CCOCC1)c1cc(-n2cccn2)ccc1Cl ZINC000019715157 558975681 /nfs/dbraw/zinc/97/56/81/558975681.db2.gz KJQCHDRSDGYJBT-HXUWFJFHSA-N 0 0 411.893 2.724 40 0 HFABRN COc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3nc(C(C)C)cs3)C2=O)cc1 ZINC000019715313 558976123 /nfs/dbraw/zinc/97/61/23/558976123.db2.gz GZRFRYXVMMYTLJ-IBGZPJMESA-N 0 0 402.476 2.681 40 0 HFABRN Cc1nn(C)cc1-c1csc(NC(=O)CCC(=O)N2CC(=O)Nc3ccccc32)n1 ZINC000019718101 558981151 /nfs/dbraw/zinc/98/11/51/558981151.db2.gz MWGZJIWVNADVTQ-UHFFFAOYSA-N 0 0 424.486 2.556 40 0 HFABRN CN(C)S(=O)(=O)c1ccc(CCC(=O)Nc2ccc3c(c2)N(C)CCC3)cc1 ZINC000019718621 558981967 /nfs/dbraw/zinc/98/19/67/558981967.db2.gz PQOLWUSLNBTCMI-UHFFFAOYSA-N 0 0 401.532 2.891 40 0 HFABRN Cc1ccc(CC(=O)N2CC[C@@]3(C2)CCc2nnc(C(=O)NCC4CC4)n2CC3)cc1 ZINC000585107487 559027929 /nfs/dbraw/zinc/02/79/29/559027929.db2.gz XKPWDZSPGQIFNT-DEOSSOPVSA-N 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568542409 /nfs/dbraw/zinc/54/24/09/568542409.db2.gz IHQPEDZZPDDJQA-LLVKDONJSA-N 0 0 404.514 2.582 40 0 HFABRN CN(C)C(=O)COc1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)cc1 ZINC000223304797 568544658 /nfs/dbraw/zinc/54/46/58/568544658.db2.gz LYIWIMWPJLDVMZ-UHFFFAOYSA-N 0 0 402.394 2.973 40 0 HFABRN CCN1CCN(c2ccc(C(=O)OC)cc2S(=O)(=O)Nc2ccc(C)cc2)CC1 ZINC000223413168 568547974 /nfs/dbraw/zinc/54/79/74/568547974.db2.gz KTMDIKFVEUGEAU-UHFFFAOYSA-N 0 0 417.531 2.724 40 0 HFABRN CCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCCN1C(=O)c2ccccc2C1=O ZINC000223537671 568551146 /nfs/dbraw/zinc/55/11/46/568551146.db2.gz ZZVQLGZZTJERPA-KRWDZBQOSA-N 0 0 421.497 2.616 40 0 HFABRN CCc1ccc(NC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 ZINC000026536958 568551751 /nfs/dbraw/zinc/55/17/51/568551751.db2.gz HWEYFJSVJIQKPZ-UHFFFAOYSA-N 0 0 402.516 2.841 40 0 HFABRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCO)c(C)n1Cc1ccncc1 ZINC000223566038 568551853 /nfs/dbraw/zinc/55/18/53/568551853.db2.gz NYMPUCKRONNNRI-SFTDATJTSA-N 0 0 407.543 2.908 40 0 HFABRN CCOc1ccc(-c2noc(CN(C)S(=O)(=O)c3ccc(OC)cc3)n2)cc1 ZINC000223584490 568552383 /nfs/dbraw/zinc/55/23/83/568552383.db2.gz PLRATGGQYAYRTN-UHFFFAOYSA-N 0 0 403.460 2.965 40 0 HFABRN Cc1ccc(N(CC(=O)NCCOc2ccc(Cl)cc2)S(C)(=O)=O)c(C)c1 ZINC000223620809 568553455 /nfs/dbraw/zinc/55/34/55/568553455.db2.gz HPJSDIJOVBTHDH-UHFFFAOYSA-N 0 0 410.923 2.918 40 0 HFABRN Cc1ccc(C)c(N(CC(=O)NCCOc2ccc(Cl)cc2)S(C)(=O)=O)c1 ZINC000223623105 568553591 /nfs/dbraw/zinc/55/35/91/568553591.db2.gz KTIQFMFNIWIFLQ-UHFFFAOYSA-N 0 0 410.923 2.918 40 0 HFABRN Cc1ccc(N(CC(=O)NCCOc2ccccc2Cl)S(C)(=O)=O)cc1C ZINC000223627847 568553854 /nfs/dbraw/zinc/55/38/54/568553854.db2.gz AGGJCWMTXWINID-UHFFFAOYSA-N 0 0 410.923 2.918 40 0 HFABRN CS(=O)(=O)N(CC(=O)NCCOc1ccccc1Cl)c1cccc(Cl)c1 ZINC000223636534 568554346 /nfs/dbraw/zinc/55/43/46/568554346.db2.gz XEPXFRIULPUPBP-UHFFFAOYSA-N 0 0 417.314 2.955 40 0 HFABRN CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccccn1 ZINC000223640006 568554485 /nfs/dbraw/zinc/55/44/85/568554485.db2.gz IXYWLZDZMQWMOU-PMACEKPBSA-N 0 0 407.499 2.803 40 0 HFABRN CCOc1ccc(N(CC(=O)NCCc2ccc(Cl)cc2)S(C)(=O)=O)cc1 ZINC000223651598 568555044 /nfs/dbraw/zinc/55/50/44/568555044.db2.gz AHMZPEMMCUDJKN-UHFFFAOYSA-N 0 0 410.923 2.864 40 0 HFABRN CSc1ccc(S(=O)(=O)NCc2nc(-c3ccccc3)no2)cc1NC(C)=O ZINC000223703763 568556706 /nfs/dbraw/zinc/55/67/06/568556706.db2.gz YPRAACYQRZIXMX-UHFFFAOYSA-N 0 0 418.500 2.895 40 0 HFABRN O=S(=O)(NCc1nc(-c2ccccc2Cl)no1)c1ccc2c(c1)OCCO2 ZINC000223764710 568558461 /nfs/dbraw/zinc/55/84/61/568558461.db2.gz KFSRAFLRDKRMDP-UHFFFAOYSA-N 0 0 407.835 2.640 40 0 HFABRN CCNC(=O)c1cc(S(=O)(=O)Nc2cccc(C(=O)OCC)c2C)ccc1OC ZINC000223784955 568559043 /nfs/dbraw/zinc/55/90/43/568559043.db2.gz AWSURXFZNDEGJT-UHFFFAOYSA-N 0 0 420.487 2.731 40 0 HFABRN CCCc1ccc(OCCNC(=O)CN(c2ccccc2OC)S(C)(=O)=O)cc1 ZINC000223821279 568559879 /nfs/dbraw/zinc/55/98/79/568559879.db2.gz YUQDJYFSTSBDIU-UHFFFAOYSA-N 0 0 420.531 2.609 40 0 HFABRN COc1ccc(-c2nnsc2C(=O)OCCNC(=O)c2cccc(OC)c2)cc1 ZINC000223839865 568560493 /nfs/dbraw/zinc/56/04/93/568560493.db2.gz RAJLXDHIWNLQTN-UHFFFAOYSA-N 0 0 413.455 2.809 40 0 HFABRN CC(=O)N1CCCc2cc(S(=O)(=O)NCc3ccc(-n4ccnc4C)cc3)ccc21 ZINC000223867628 568561405 /nfs/dbraw/zinc/56/14/05/568561405.db2.gz ILLRKOPDLKRJDC-UHFFFAOYSA-N 0 0 424.526 2.958 40 0 HFABRN COc1ccccc1[C@@H](C)NS(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1 ZINC000223882631 568561870 /nfs/dbraw/zinc/56/18/70/568561870.db2.gz AIJDBFJBLNMQFQ-GFCCVEGCSA-N 0 0 418.500 2.839 40 0 HFABRN COc1cccc(CN(C)S(=O)(=O)c2ccc(OC)c(N3CCCC3=O)c2)c1 ZINC000223888480 568561985 /nfs/dbraw/zinc/56/19/85/568561985.db2.gz LBRCIXWRGGWCJY-UHFFFAOYSA-N 0 0 404.488 2.651 40 0 HFABRN Cc1cccc(OCCNC(=O)[C@@H](C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)c1 ZINC000223890978 568562187 /nfs/dbraw/zinc/56/21/87/568562187.db2.gz PTXGRBFJYKVNQJ-GOSISDBHSA-N 0 0 404.532 2.962 40 0 HFABRN COc1ccc(S(=O)(=O)NCCOc2cccc(C)c2C)cc1C(=O)NC(C)C ZINC000223935412 568563485 /nfs/dbraw/zinc/56/34/85/568563485.db2.gz AZXCMEGXFVWKMV-UHFFFAOYSA-N 0 0 420.531 2.808 40 0 HFABRN CCOC(=O)c1ccc(NC(=O)CN(Cc2ccccc2F)S(C)(=O)=O)c(C)c1 ZINC000223977499 568565230 /nfs/dbraw/zinc/56/52/30/568565230.db2.gz DXVWLBGRZIHLKK-UHFFFAOYSA-N 0 0 422.478 2.711 40 0 HFABRN CCOCCCNC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000223990886 568565480 /nfs/dbraw/zinc/56/54/80/568565480.db2.gz YLAXTKHRBVXTQN-UHFFFAOYSA-N 0 0 422.503 2.661 40 0 HFABRN COc1ccc(N([C@@H](C)C(=O)NCCOc2cc(C)ccc2C)S(C)(=O)=O)cc1 ZINC000223992642 568565574 /nfs/dbraw/zinc/56/55/74/568565574.db2.gz CIUAJESYKOGEBI-KRWDZBQOSA-N 0 0 420.531 2.662 40 0 HFABRN Cc1ccc(OCCNC(=O)CN(c2ccc(F)c(F)c2)S(C)(=O)=O)c(C)c1 ZINC000223993280 568565650 /nfs/dbraw/zinc/56/56/50/568565650.db2.gz CCZABAMITBMMNI-UHFFFAOYSA-N 0 0 412.458 2.543 40 0 HFABRN Cc1ccc(C)c(N([C@@H](C)C(=O)NCCOc2ccc(F)cc2)S(C)(=O)=O)c1 ZINC000224042996 568567457 /nfs/dbraw/zinc/56/74/57/568567457.db2.gz KGWYRSPHDBMENC-INIZCTEOSA-N 0 0 408.495 2.792 40 0 HFABRN CC(C)(C)c1ccc(N(CC(=O)NCCOc2ccccc2)S(C)(=O)=O)cc1 ZINC000224055565 568568018 /nfs/dbraw/zinc/56/80/18/568568018.db2.gz DDXHGPCLGBRQFK-UHFFFAOYSA-N 0 0 404.532 2.945 40 0 HFABRN Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NCCOCc1ccccc1 ZINC000224098077 568569752 /nfs/dbraw/zinc/56/97/52/568569752.db2.gz AITHWTGWOGRVJY-UHFFFAOYSA-N 0 0 402.516 2.726 40 0 HFABRN Cc1cc(C)cc(OCCNC(=O)[C@H](C)N(c2ccccc2F)S(C)(=O)=O)c1 ZINC000224100039 568569882 /nfs/dbraw/zinc/56/98/82/568569882.db2.gz DRKXUEHAYPAIGS-INIZCTEOSA-N 0 0 408.495 2.792 40 0 HFABRN Cc1ccc(OCCNC(=O)CN(c2ccccc2C)S(C)(=O)=O)cc1Cl ZINC000224128796 568570945 /nfs/dbraw/zinc/57/09/45/568570945.db2.gz VEQOJLLFOVKMRA-UHFFFAOYSA-N 0 0 410.923 2.918 40 0 HFABRN Cc1ccc(OCCNC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)cc1Cl ZINC000224136225 568571137 /nfs/dbraw/zinc/57/11/37/568571137.db2.gz UDUMWKBAQRGDKJ-UHFFFAOYSA-N 0 0 414.886 2.749 40 0 HFABRN Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NCCCn3ccnc3)c2)cc1 ZINC000224148464 568571621 /nfs/dbraw/zinc/57/16/21/568571621.db2.gz OOGASGFPLOIRCQ-UHFFFAOYSA-N 0 0 412.515 2.837 40 0 HFABRN CN(c1ccc(F)cc1)S(=O)(=O)c1cccc(C(=O)NCCCn2ccnc2)c1 ZINC000224177067 568572573 /nfs/dbraw/zinc/57/25/73/568572573.db2.gz JGRYCXDKTJLXKP-UHFFFAOYSA-N 0 0 416.478 2.667 40 0 HFABRN O=S(=O)(NCc1ccnc(N2CCCCC2)n1)c1ccc(C(F)(F)F)cc1 ZINC000224214148 568574047 /nfs/dbraw/zinc/57/40/47/568574047.db2.gz OOWZOFAZDZVOQY-UHFFFAOYSA-N 0 0 400.426 2.964 40 0 HFABRN O=C(/C=C/c1ccc(F)cc1)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000224276242 568576180 /nfs/dbraw/zinc/57/61/80/568576180.db2.gz IKCKUCQFPBRQJS-LFYBBSHMSA-N 0 0 418.490 2.819 40 0 HFABRN Cc1ccc(/C=C/C(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 ZINC000224280602 568576415 /nfs/dbraw/zinc/57/64/15/568576415.db2.gz DAHYKCIVPCAJHA-MDWZMJQESA-N 0 0 414.527 2.988 40 0 HFABRN Cc1ccc(C(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1C ZINC000224344591 568578490 /nfs/dbraw/zinc/57/84/90/568578490.db2.gz MDJPDBOOJLOFCF-UHFFFAOYSA-N 0 0 402.516 2.897 40 0 HFABRN CCc1ccc(OCCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)cc1 ZINC000224373623 568579470 /nfs/dbraw/zinc/57/94/70/568579470.db2.gz AZOZFNMUTSKDDD-QGZVFWFLSA-N 0 0 422.572 2.906 40 0 HFABRN COc1ccc(CN(C)C(=O)c2cccc(N3CCCCS3(=O)=O)c2)cc1OC ZINC000224394352 568580131 /nfs/dbraw/zinc/58/01/31/568580131.db2.gz AWGWLVYGKLYCSU-UHFFFAOYSA-N 0 0 418.515 2.906 40 0 HFABRN COCc1cccc(NC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)c1 ZINC000224479829 568582308 /nfs/dbraw/zinc/58/23/08/568582308.db2.gz HQYPYLWBEJPTRG-QGZVFWFLSA-N 0 0 410.879 2.652 40 0 HFABRN COc1cccc(OC)c1CNC(=O)c1ccc(C)c(N2CCCCS2(=O)=O)c1 ZINC000224515253 568583265 /nfs/dbraw/zinc/58/32/65/568583265.db2.gz HZLSNICCUBCGRS-UHFFFAOYSA-N 0 0 418.515 2.872 40 0 HFABRN CCOc1cc(CNS(=O)(=O)c2ccc3c(c2)CCN3C(=O)CC)ccc1OC ZINC000224591392 568586768 /nfs/dbraw/zinc/58/67/68/568586768.db2.gz KPEZSLOJOOVTIZ-UHFFFAOYSA-N 0 0 418.515 2.872 40 0 HFABRN Cc1ccc(N(CCCC(=O)NCCOCc2ccccc2)S(C)(=O)=O)cc1 ZINC000224628899 568589323 /nfs/dbraw/zinc/58/93/23/568589323.db2.gz GVYBCKAZLQKSQC-UHFFFAOYSA-N 0 0 404.532 2.874 40 0 HFABRN Cc1ccccc1N(CCCC(=O)NCCOc1ccc(F)cc1)S(C)(=O)=O ZINC000224642740 568590299 /nfs/dbraw/zinc/59/02/99/568590299.db2.gz RDKPXBQPBBQPEY-UHFFFAOYSA-N 0 0 408.495 2.876 40 0 HFABRN COc1ccccc1N(CCCC(=O)NCCOCc1ccccc1)S(C)(=O)=O ZINC000224739429 568594487 /nfs/dbraw/zinc/59/44/87/568594487.db2.gz SBLSAUCBHJPGRN-UHFFFAOYSA-N 0 0 420.531 2.574 40 0 HFABRN COc1cc(CNC(=O)CN(Cc2ccccc2)S(C)(=O)=O)ccc1OC(C)C ZINC000224872917 568601668 /nfs/dbraw/zinc/60/16/68/568601668.db2.gz GWJRZDSBQQDUOL-UHFFFAOYSA-N 0 0 420.531 2.560 40 0 HFABRN O=C(Cc1ccc(Cl)cc1F)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000224897889 568602823 /nfs/dbraw/zinc/60/28/23/568602823.db2.gz QTBUGDIELMJBEA-UHFFFAOYSA-N 0 0 412.870 2.681 40 0 HFABRN Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)Nc1ccc(N3CCCC3)cc1)O2 ZINC000224925230 568604326 /nfs/dbraw/zinc/60/43/26/568604326.db2.gz BRLHIFFAHLSVAL-FQEVSTJZSA-N 0 0 415.515 2.761 40 0 HFABRN Cc1cccc(N(CC(=O)Nc2ccc(N3CCOCC3)cc2)S(C)(=O)=O)c1C ZINC000224988656 568607677 /nfs/dbraw/zinc/60/76/77/568607677.db2.gz ASMUZLXPYUHKGS-UHFFFAOYSA-N 0 0 417.531 2.545 40 0 HFABRN COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc(OC(C)C)c2)cc1OC ZINC000225008502 568608777 /nfs/dbraw/zinc/60/87/77/568608777.db2.gz AEOUFJMHCVSUTL-UHFFFAOYSA-N 0 0 422.503 2.750 40 0 HFABRN Cc1c(C(=O)Nc2ccc3c(c2)sc(=O)n3C)cccc1N(C)S(C)(=O)=O ZINC000225064390 568611953 /nfs/dbraw/zinc/61/19/53/568611953.db2.gz TZQUBMQHXIMQPV-UHFFFAOYSA-N 0 0 405.501 2.557 40 0 HFABRN CCOc1ccc(C(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)cc1OCC ZINC000225062967 568612017 /nfs/dbraw/zinc/61/20/17/568612017.db2.gz QCQRWMDWGDRMON-UHFFFAOYSA-N 0 0 418.515 2.937 40 0 HFABRN CCN(CCCNS(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1)c1ccccc1 ZINC000225091842 568613703 /nfs/dbraw/zinc/61/37/03/568613703.db2.gz PEBVYQYIGYUVJK-UHFFFAOYSA-N 0 0 415.515 2.535 40 0 HFABRN CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000225113225 568615192 /nfs/dbraw/zinc/61/51/92/568615192.db2.gz JPOMOVGGQXBHKF-QGZVFWFLSA-N 0 0 420.487 2.650 40 0 HFABRN CC[C@H](NC(=O)CN(C)S(=O)(=O)c1ccc(OC)cc1)c1ccc(OC)c(C)c1 ZINC000225121876 568615557 /nfs/dbraw/zinc/61/55/57/568615557.db2.gz MNPOLWDOSPTCGN-IBGZPJMESA-N 0 0 420.531 2.900 40 0 HFABRN COc1ccc(CCCNC(=O)[C@@H](C)Oc2ccc(N(C)S(C)(=O)=O)cc2)cc1 ZINC000225124717 568615698 /nfs/dbraw/zinc/61/56/98/568615698.db2.gz DXOOVFNNEYTBMI-MRXNPFEDSA-N 0 0 420.531 2.607 40 0 HFABRN CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCCc1ccccc1 ZINC000225151905 568618331 /nfs/dbraw/zinc/61/83/31/568618331.db2.gz FDSASYBQCSAEES-HXUWFJFHSA-N 0 0 404.532 2.989 40 0 HFABRN C[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000225156497 568618826 /nfs/dbraw/zinc/61/88/26/568618826.db2.gz STAHFYLTPLXBEJ-LFPRZYRFSA-N 0 0 406.548 2.935 40 0 HFABRN CCOC(=O)c1c(NC(=O)c2cccc(S(=O)(=O)NC)c2)sc2c1CCCC2 ZINC000225409237 568634886 /nfs/dbraw/zinc/63/48/86/568634886.db2.gz QAASRJHXVYGIKA-UHFFFAOYSA-N 0 0 422.528 2.964 40 0 HFABRN CNS(=O)(=O)c1cccc(C(=O)Nc2sc3c(c2C(=O)OC)CCCC3)c1 ZINC000225409307 568634981 /nfs/dbraw/zinc/63/49/81/568634981.db2.gz NXCJEVUFLPIMDX-UHFFFAOYSA-N 0 0 408.501 2.574 40 0 HFABRN CCOc1ccc([C@H](N)c2n[nH]c(-c3cc(OC)c(OC)c(OC)c3)n2)cc1OC ZINC000095534228 568635270 /nfs/dbraw/zinc/63/52/70/568635270.db2.gz CLQHPWIWAAAZGP-SFHVURJKSA-N 0 0 414.462 2.953 40 0 HFABRN CSc1nnc(NC(=O)CN(c2c(C)cc(C)cc2C)S(C)(=O)=O)s1 ZINC000225547910 568650005 /nfs/dbraw/zinc/65/00/05/568650005.db2.gz LMUHWFPKABXQPK-UHFFFAOYSA-N 0 0 400.551 2.590 40 0 HFABRN CCc1ccc(CC)c(CNC(=O)[C@H]2CN(S(C)(=O)=O)c3ccccc3O2)c1 ZINC000225598874 568655937 /nfs/dbraw/zinc/65/59/37/568655937.db2.gz FNZMMPCETPMTGE-HXUWFJFHSA-N 0 0 402.516 2.655 40 0 HFABRN CCc1ccc([C@H](C)NC(=O)CN(c2ccccc2F)S(=O)(=O)N(C)C)cc1 ZINC000225621072 568657642 /nfs/dbraw/zinc/65/76/42/568657642.db2.gz NTLDNWOHSMEOPD-HNNXBMFYSA-N 0 0 407.511 2.878 40 0 HFABRN COc1cccc(N([C@@H](C)C(=O)NC(C)(C)Cc2ccccc2)S(C)(=O)=O)c1 ZINC000225696316 568665298 /nfs/dbraw/zinc/66/52/98/568665298.db2.gz WKIZRMSTWVDYHP-INIZCTEOSA-N 0 0 404.532 2.987 40 0 HFABRN CCO[C@]1(C(=O)Nc2ccc(OCC(=O)N3CCOCC3)cc2)CCC[C@@H](C)C1 ZINC000225714172 568666856 /nfs/dbraw/zinc/66/68/56/568666856.db2.gz MVRBXTOQBOBQHM-VGOFRKELSA-N 0 0 404.507 2.848 40 0 HFABRN CCOc1ccc(CNC(=O)CN(C)S(=O)(=O)c2ccc(SC)cc2)cc1 ZINC000225800355 568675566 /nfs/dbraw/zinc/67/55/66/568675566.db2.gz KGUFPXBPOAOWAT-UHFFFAOYSA-N 0 0 408.545 2.744 40 0 HFABRN Cc1ccc(CN(CC(=O)NCCSCc2ccccc2F)S(C)(=O)=O)cc1 ZINC000225802154 568675743 /nfs/dbraw/zinc/67/57/43/568675743.db2.gz VROBFQSKSTYTAV-UHFFFAOYSA-N 0 0 424.563 2.945 40 0 HFABRN CNC(=S)Nc1nc(Sc2ncccn2)cc(N2CCc3ccccc3C2)n1 ZINC000225879833 568683183 /nfs/dbraw/zinc/68/31/83/568683183.db2.gz UMQNHZIKGRGTBR-UHFFFAOYSA-N 0 0 409.544 2.897 40 0 HFABRN COc1cc(N2CCN(c3ccccc3)CC2)nc(NC(=S)NCC(C)C)n1 ZINC000225890734 568683643 /nfs/dbraw/zinc/68/36/43/568683643.db2.gz PUOXBVSZPBDPQS-UHFFFAOYSA-N 0 0 400.552 2.754 40 0 HFABRN COc1ccc(NC(=O)C(C)(C)NS(=O)(=O)Cc2cc(F)ccc2Cl)cn1 ZINC000225923687 568686481 /nfs/dbraw/zinc/68/64/81/568686481.db2.gz 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ZINC000226020453 568691538 /nfs/dbraw/zinc/69/15/38/568691538.db2.gz LKKFUCMUSOBFGE-UHFFFAOYSA-N 0 0 424.906 2.705 40 0 HFABRN CCOc1ccc(S(=O)(=O)N(CC)CC(=O)N(C)c2cccc(OC)c2)cc1 ZINC000226047001 568691978 /nfs/dbraw/zinc/69/19/78/568691978.db2.gz NESQAWKIFZXEPI-UHFFFAOYSA-N 0 0 406.504 2.768 40 0 HFABRN CCOc1ccc(S(=O)(=O)N(C)CC(=O)N(C)c2cccc(OC)c2)cc1C ZINC000226060556 568692437 /nfs/dbraw/zinc/69/24/37/568692437.db2.gz BIHIFMMHSIWFFG-UHFFFAOYSA-N 0 0 406.504 2.686 40 0 HFABRN COc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)N1c2ccccc2C[C@@H]1C ZINC000226065717 568692550 /nfs/dbraw/zinc/69/25/50/568692550.db2.gz DSSYJLKEISMNNX-ZDUSSCGKSA-N 0 0 408.907 2.947 40 0 HFABRN COc1ccc(S(=O)(=O)N2CCC(C(=O)N(C)c3cccc(OC)c3)CC2)cc1 ZINC000226075007 568693017 /nfs/dbraw/zinc/69/30/17/568693017.db2.gz SXTBKBKIHMQFNS-UHFFFAOYSA-N 0 0 418.515 2.768 40 0 HFABRN CCN(CC(=O)N[C@H](C)c1ccc(OC)cc1)S(=O)(=O)c1ccc(OC)cc1 ZINC000260625075 568718710 /nfs/dbraw/zinc/71/87/10/568718710.db2.gz YUFATPIBQQYTNF-OAHLLOKOSA-N 0 0 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ZINC000040390560 523181691 /nfs/dbraw/zinc/18/16/91/523181691.db2.gz ORAIDMDHVOWSJG-OLZOCXBDSA-N 0 0 413.453 2.742 40 0 HFABRN COc1ccccc1CN(C)C(=O)c1ccc(CS(=O)(=O)N2CCCC2)cc1 ZINC000020484726 524432237 /nfs/dbraw/zinc/43/22/37/524432237.db2.gz XNYYKAGUMHGBOK-UHFFFAOYSA-N 0 0 402.516 2.893 40 0 HFABRN Cc1cc(C)n(CCC(=O)Nc2ccccc2[C@H]2NC(=O)c3cccnc3N2C)n1 ZINC000072347373 524516912 /nfs/dbraw/zinc/51/69/12/524516912.db2.gz PLGQTLRBKWJVJY-NRFANRHFSA-N 0 0 404.474 2.802 40 0 HFABRN Cc1ccccc1C(=O)Nc1ccc([C@H]2OCC(=O)N(C3CCOCC3)[C@@H]2CO)cc1 ZINC000072321540 525063806 /nfs/dbraw/zinc/06/38/06/525063806.db2.gz QMGHCELWPIWDJS-FYYLOGMGSA-N 0 0 424.497 2.687 40 0 biogenic,in-vitro HFABRN Cc1ccccc1[C@H]1C[C@@H](O)[C@@H](O)[C@@H]1NS(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000072321854 525443460 /nfs/dbraw/zinc/44/34/60/525443460.db2.gz DQYVRVHAVDWROX-BRSBDYLESA-N 0 0 415.433 2.570 40 0 biogenic,in-vitro HFABRN Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)N[C@@H]1CCCc3ccccc31)O2 ZINC000044933089 526170059 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40 0 HFABRN O=C(Nc1cc(Cl)ccc1Cl)[C@H]1CC(=O)Nc2nc(N3CCCC3)[nH]c(=O)c21 ZINC000040390693 527110825 /nfs/dbraw/zinc/11/08/25/527110825.db2.gz VKWAEGPVDSBQRM-JTQLQIEISA-N 0 0 422.272 2.741 40 0 HFABRN O=C(Cn1ccc(=O)c2cc(Br)ccc21)NCc1ccc2c(c1)OCO2 ZINC000225730602 527374385 /nfs/dbraw/zinc/37/43/85/527374385.db2.gz SSXGXFOOZMXVDQ-UHFFFAOYSA-N 0 0 415.243 2.809 40 0 HFABRN COC(=O)c1nc(=S)[nH]c(C(=O)OC)c1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000000634401 557028930 /nfs/dbraw/zinc/02/89/30/557028930.db2.gz KUGUEPDGDAOFTF-UHFFFAOYSA-N 0 0 401.227 2.876 40 0 HFABRN COc1nc(Nc2ccc([C@@H]3Nc4ccccc4O3)cc2)nc(N2CCOCC2)n1 ZINC000000793434 557082190 /nfs/dbraw/zinc/08/21/90/557082190.db2.gz JLNAGQGXADRWIA-GOSISDBHSA-N 0 0 406.446 2.964 40 0 HFABRN O=C(c1cc2cc(Br)cc(Br)c2oc1=O)N1CCOCC1 ZINC000000841029 557097756 /nfs/dbraw/zinc/09/77/56/557097756.db2.gz ZKFRUGODYJXHKL-UHFFFAOYSA-N 0 0 417.053 2.790 40 0 HFABRN COc1ccc(-n2nnnc2SCC(=O)c2cc(OC)ccc2OC)c(OC)c1 ZINC000000932199 557120161 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VPZBCNAFIZKSCL-UHFFFAOYSA-N 0 0 414.531 2.977 40 0 HFABRN COC(=O)CN1C(=O)N/C(=C/c2ccc(-c3cccc(Br)c3)o2)C1=O ZINC000408548851 557415167 /nfs/dbraw/zinc/41/51/67/557415167.db2.gz MCKJBPIRARUQBV-MDWZMJQESA-N 0 0 405.204 2.775 40 0 HFABRN CC(=O)Nc1ccc(NC(=O)C(=O)NCC(=O)Nc2cccc(Cl)c2Cl)cc1 ZINC000408553871 557443007 /nfs/dbraw/zinc/44/30/07/557443007.db2.gz QVUTVRMRHUEQLE-UHFFFAOYSA-N 0 0 423.256 2.645 40 0 HFABRN COc1ccc(NC(=O)C2=C(C)N=C3N=CNN3[C@@H]2c2ccc(O)c(OC)c2)cc1 ZINC000408554241 557443153 /nfs/dbraw/zinc/44/31/53/557443153.db2.gz CNAARLVKXVSBSA-LJQANCHMSA-N 0 0 407.430 2.581 40 0 HFABRN CCOc1ccc(NC(=O)C(=O)NCC(=O)Nc2ccc(Br)cc2)cc1 ZINC000408554978 557445849 /nfs/dbraw/zinc/44/58/49/557445849.db2.gz WCFWTJZMBBYDGV-UHFFFAOYSA-N 0 0 420.263 2.541 40 0 HFABRN COc1ccc(CCNC(=O)[C@H](C)NS(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000408557007 557453777 /nfs/dbraw/zinc/45/37/77/557453777.db2.gz FRSSTCMKSRDYDC-INIZCTEOSA-N 0 0 412.511 2.874 40 0 HFABRN C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000408560299 557457804 /nfs/dbraw/zinc/45/78/04/557457804.db2.gz OJKUPMYMPWUMPL-CQSZACIVSA-N 0 0 412.467 2.917 40 0 HFABRN Cc1ccc(NC(=O)Cn2cc(C(=O)C(=O)N3CCOCC3)c3ccccc32)cc1C ZINC000408569950 557467050 /nfs/dbraw/zinc/46/70/50/557467050.db2.gz KILBMXYZIQWPPO-UHFFFAOYSA-N 0 0 419.481 2.938 40 0 HFABRN CCc1ccccc1N(CC(=O)N[C@@H](C)COC)S(=O)(=O)c1ccc(C)cc1 ZINC000408564163 557471016 /nfs/dbraw/zinc/47/10/16/557471016.db2.gz SDADEUWKUPPMLH-KRWDZBQOSA-N 0 0 404.532 2.904 40 0 HFABRN CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)Nc2cccc(Br)c2)cc1 ZINC000408587311 557490513 /nfs/dbraw/zinc/49/05/13/557490513.db2.gz BKYZDADOQNYOFL-LLVKDONJSA-N 0 0 413.293 2.763 40 0 HFABRN COC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 ZINC000408592691 557506313 /nfs/dbraw/zinc/50/63/13/557506313.db2.gz LJFLKQNZXDZUGR-ZDUSSCGKSA-N 0 0 412.895 2.671 40 0 HFABRN CC(C)COc1ccccc1/C=C1/SC(=O)N(CC(=O)N2CCOCC2)C1=O ZINC000408599849 557510134 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COc1ccccc1CNC(=O)c1ccccc1NC(=O)[C@H]1CC(=O)N(C(C)C)C1 ZINC000408614973 557540208 /nfs/dbraw/zinc/54/02/08/557540208.db2.gz KIKMXHCLMCOPON-KRWDZBQOSA-N 0 0 409.486 2.821 40 0 HFABRN CCCNC(=O)c1cc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)ccc1C ZINC000408616894 557543714 /nfs/dbraw/zinc/54/37/14/557543714.db2.gz BLCAHBUTLNHKJN-UHFFFAOYSA-N 0 0 415.559 2.641 40 0 HFABRN COC[C@@H](C)NC(=O)CN(Cc1cccc(Cl)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000408620764 557545810 /nfs/dbraw/zinc/54/58/10/557545810.db2.gz LRVSODRGCHUWIH-MRXNPFEDSA-N 0 0 424.950 2.990 40 0 HFABRN COCCNC(=O)c1cc(S(=O)(=O)Nc2ccc(OC)c(Cl)c2)ccc1C ZINC000408627172 557560219 /nfs/dbraw/zinc/56/02/19/557560219.db2.gz YFDQLPGNHYFACS-UHFFFAOYSA-N 0 0 412.895 2.834 40 0 HFABRN COC[C@H](C)NC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000408629897 557564823 /nfs/dbraw/zinc/56/48/23/557564823.db2.gz JVQRGKKXZFPCCQ-SFHVURJKSA-N 0 0 404.532 2.958 40 0 HFABRN COc1ccc(N(CC(=O)N[C@@H](C)CCc2ccccc2)S(C)(=O)=O)cc1OC ZINC000408631018 557568960 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O=C(CSCc1nc2c(nnn2Cc2ccc(F)cc2)c(=O)[nH]1)Nc1ccccc1 ZINC000035311686 557687596 /nfs/dbraw/zinc/68/75/96/557687596.db2.gz BCNZFUIRRQMXMU-UHFFFAOYSA-N 0 0 424.461 2.986 40 0 HFABRN COc1ccccc1N1CCN([C@H](CC(C)C)c2nnnn2C[C@@H]2CCCO2)CC1 ZINC000035310984 557693088 /nfs/dbraw/zinc/69/30/88/557693088.db2.gz JUIARPUHTXRZLA-AZUAARDMSA-N 0 0 414.554 2.770 40 0 HFABRN COc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccc(Cl)cc2Cl)cc1 ZINC000006545352 557707193 /nfs/dbraw/zinc/70/71/93/557707193.db2.gz UIQYAKYNCJRYGB-UHFFFAOYSA-N 0 0 417.314 2.939 40 0 HFABRN CCn1nnc(NC(=S)NC(=O)c2cccc3c(Br)cccc23)n1 ZINC000006605492 557710128 /nfs/dbraw/zinc/71/01/28/557710128.db2.gz GCKOIBPJAMVSAY-UHFFFAOYSA-N 0 0 405.281 2.736 40 0 HFABRN CCOc1ccc(C(=O)NCc2ccc(OC)cc2)cc1S(=O)(=O)N1CCCC1 ZINC000408697267 557714363 /nfs/dbraw/zinc/71/43/63/557714363.db2.gz IHTCSYXNTFEXKB-UHFFFAOYSA-N 0 0 418.515 2.808 40 0 HFABRN CCOc1ccc(C(=O)NCc2ccc(OC)cc2)cc1S(=O)(=O)NC(C)C ZINC000408700521 557718545 /nfs/dbraw/zinc/71/85/45/557718545.db2.gz 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CCCNC(=O)c1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000023651576 558565033 /nfs/dbraw/zinc/56/50/33/558565033.db2.gz MZQVUOVWSLSYHE-UHFFFAOYSA-N 0 0 423.922 2.739 40 0 HFABRN O=C(NCc1ccccc1)C1CCN(S(=O)(=O)CCCc2ccccc2)CC1 ZINC000013680830 558566589 /nfs/dbraw/zinc/56/65/89/558566589.db2.gz BHONBMLMCJCXSL-UHFFFAOYSA-N 0 0 400.544 2.977 40 0 HFABRN O=C(CCSCc1ccccc1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000013687987 558570764 /nfs/dbraw/zinc/57/07/64/558570764.db2.gz QWXZXUURJGXSCJ-UHFFFAOYSA-N 0 0 420.556 2.970 40 0 HFABRN CCN(CC)C(=O)c1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000013688674 558571160 /nfs/dbraw/zinc/57/11/60/558571160.db2.gz HMXZOOCEEGNDHH-UHFFFAOYSA-N 0 0 417.531 2.736 40 0 HFABRN CC[C@H](C(=O)Nc1ccccc1C(=O)OC)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000013715247 558578731 /nfs/dbraw/zinc/57/87/31/558578731.db2.gz PGLLRSWYHIQAJG-QGZVFWFLSA-N 0 0 408.451 2.796 40 0 HFABRN CC[C@H](C(=O)Nc1cccc(NC(C)=O)c1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000013715880 558579103 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Cc1cc(O[C@H](C)C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)ccc1Cl ZINC000015361052 558735771 /nfs/dbraw/zinc/73/57/71/558735771.db2.gz SUIGGCDFVRMHNO-MRXNPFEDSA-N 0 0 422.934 2.949 40 0 HFABRN COc1cc(OC)cc(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2OC)c1 ZINC000030756848 558737299 /nfs/dbraw/zinc/73/72/99/558737299.db2.gz YGEOUFLGOVLGMU-UHFFFAOYSA-N 0 0 420.487 2.749 40 0 HFABRN C[C@H](NC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1)c1ccc(F)cc1 ZINC000030852873 558740459 /nfs/dbraw/zinc/74/04/59/558740459.db2.gz ORIOXIWPDAUWIP-GTNSWQLSSA-N 0 0 412.870 2.884 40 0 HFABRN COc1ccc([C@H](C)NC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1 ZINC000030873768 558743750 /nfs/dbraw/zinc/74/37/50/558743750.db2.gz DTEYPWDFYFTKFV-SGTLLEGYSA-N 0 0 424.906 2.753 40 0 HFABRN O=C(CN1CCC(O)(c2ccccc2)CC1)N1CCN(/C=C\c2ccccc2)CC1 ZINC000031772169 558752401 /nfs/dbraw/zinc/75/24/01/558752401.db2.gz IFNOUGMPJJULLQ-KAMYIIQDSA-N 0 0 405.542 2.785 40 0 HFABRN COc1ccc(CN(C)C(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)cc1 ZINC000015985680 558765420 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408.907 2.616 40 0 HFABRN CCN(CC(=O)NCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1 ZINC000039985175 558823208 /nfs/dbraw/zinc/82/32/08/558823208.db2.gz JBFQVWFCDGSKFM-UHFFFAOYSA-N 0 0 411.321 2.776 40 0 HFABRN CCN(CC(=O)NCc1ccc(Cl)cc1)S(=O)(=O)c1cc(C)ccc1OC ZINC000039985473 558823399 /nfs/dbraw/zinc/82/33/99/558823399.db2.gz PIWAPOYQPHPRSL-UHFFFAOYSA-N 0 0 410.923 2.984 40 0 HFABRN CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2C(N)=O)c1 ZINC000017481566 558827579 /nfs/dbraw/zinc/82/75/79/558827579.db2.gz QSXJGSCAWXUVEG-UHFFFAOYSA-N 0 0 409.467 2.863 40 0 HFABRN CSc1ncc(C(=O)N2CCC[C@@]3(C2)CN(C(C)=O)Cc2ccccc2O3)cn1 ZINC000019019737 558837571 /nfs/dbraw/zinc/83/75/71/558837571.db2.gz SYNHVJJLQBXPJL-OAQYLSRUSA-N 0 0 412.515 2.614 40 0 HFABRN COc1ccc([C@H]2CCCN2C(=O)[C@H](C)Oc2ccc(-n3cnnn3)cc2)c(OC)c1 ZINC000019078690 558838657 /nfs/dbraw/zinc/83/86/57/558838657.db2.gz LGUJSEJDPNOESZ-MGPUTAFESA-N 0 0 423.473 2.811 40 0 HFABRN C[C@@H](C(=O)NCCn1nc(-c2ccc(F)cc2)cc1-c1cccnc1)N1CCCC1=O ZINC000019080268 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CCOC(=O)C[C@H]1CN(S(=O)(=O)c2ccc(NC(C)=O)cc2)c2ccccc2O1 ZINC000096526959 558964654 /nfs/dbraw/zinc/96/46/54/558964654.db2.gz OLARAQJTEWNBKT-INIZCTEOSA-N 0 0 418.471 2.555 40 0 HFABRN Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2cncc(Nc3cnccn3)n2)cc1F ZINC000072376332 558965405 /nfs/dbraw/zinc/96/54/05/558965405.db2.gz KEJCYBUUHPUBJN-KRWDZBQOSA-N 0 0 414.466 2.984 40 0 HFABRN Cn1cc(C(=O)N2CCCC[C@H]2c2nc(N)ncc2-c2ccccc2F)ccc1=O ZINC000072377202 558966508 /nfs/dbraw/zinc/96/65/08/558966508.db2.gz GBBCDDGZOXMGIH-SFHVURJKSA-N 0 0 407.449 2.931 40 0 HFABRN Cn1cnc(S(=O)(=O)N2CCCC[C@H]2c2nc(N)ncc2-c2ccccc2F)c1 ZINC000072377250 558966674 /nfs/dbraw/zinc/96/66/74/558966674.db2.gz HSPYAWWHMNTLTB-INIZCTEOSA-N 0 0 416.482 2.514 40 0 HFABRN O=S(=O)(c1ccc(F)cc1)N1CCC[C@@H](c2ccnc(Nc3cnccn3)n2)C1 ZINC000072377726 558966888 /nfs/dbraw/zinc/96/68/88/558966888.db2.gz LVDJFNCYXJUHKC-CQSZACIVSA-N 0 0 414.466 2.718 40 0 HFABRN Cc1cccc(CN(Cc2ccccc2)C(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)n1 ZINC000072390332 558970585 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559030770 /nfs/dbraw/zinc/03/07/70/559030770.db2.gz HERBENSUABCLQK-HXUWFJFHSA-N 0 0 413.499 2.532 40 0 HFABRN CC(=O)N1CC(=O)N(c2ccsc2)C[C@@]12CCN(C(=O)c1cccc(Cl)c1)C2 ZINC000096050479 559092193 /nfs/dbraw/zinc/09/21/93/559092193.db2.gz UVZZXVZPOBPIEG-FQEVSTJZSA-N 0 0 417.918 2.882 40 0 HFABRN CCc1ccc(C(=O)N2CCC3(CN(C(C)=O)C[C@]34CCN(CC)C4=O)CC2)cc1 ZINC000096144412 559096701 /nfs/dbraw/zinc/09/67/01/559096701.db2.gz XFVCQFGENQMAOT-DEOSSOPVSA-N 0 0 411.546 2.572 40 0 HFABRN COc1ccc(CNC(=O)c2nc3c(s2)CCN(C(=O)c2cccnc2)CC3)cc1 ZINC000096146954 559098128 /nfs/dbraw/zinc/09/81/28/559098128.db2.gz HDMZBJIPGOZCMC-UHFFFAOYSA-N 0 0 422.510 2.718 40 0 HFABRN Cc1cnc(CNC(=O)[C@@H]2c3c(ncn3C(C)C)CCN2Cc2ccccc2)cn1 ZINC000096147216 559098237 /nfs/dbraw/zinc/09/82/37/559098237.db2.gz SHYGSRUOBXNHNM-QFIPXVFZSA-N 0 0 404.518 2.978 40 0 HFABRN CCC(CC)NC(=O)c1ccc2nnc([C@H]3CN(Cc4ccccn4)CCN3C)n2c1 ZINC000096156675 559100569 /nfs/dbraw/zinc/10/05/69/559100569.db2.gz UIKXLWFAVAPNCF-HXUWFJFHSA-N 0 0 421.549 2.531 40 0 HFABRN CC(C)CS(=O)(=O)N1CCC[C@]2(CC(C(=O)Nc3cccc(Cl)c3)=NO2)C1 ZINC000096225424 559102399 /nfs/dbraw/zinc/10/23/99/559102399.db2.gz HCWLYYVOYWAXLD-SFHVURJKSA-N 0 0 413.927 2.875 40 0 HFABRN Cc1ccc(S(=O)(=O)N2CC[C@@]3(C[C@@H]3C(=O)N(C)Cc3ccccn3)C2)cc1F ZINC000096227419 559102748 /nfs/dbraw/zinc/10/27/48/559102748.db2.gz CWURNUDYZUQKLE-WIYYLYMNSA-N 0 0 417.506 2.588 40 0 HFABRN Cc1nc(CN2CCN(C)C(=O)C23CCN(C(=O)Nc2ccccc2)CC3)cs1 ZINC000096230304 559102837 /nfs/dbraw/zinc/10/28/37/559102837.db2.gz OWDQLRHBQKEJAE-UHFFFAOYSA-N 0 0 413.547 2.792 40 0 HFABRN CN(C)c1cccc(C(=O)N2CCC3(CC2)C(=O)N(C)CCN3Cc2ccccc2)c1 ZINC000096230321 559102862 /nfs/dbraw/zinc/10/28/62/559102862.db2.gz LTJJMXHVWAKLQV-UHFFFAOYSA-N 0 0 420.557 2.702 40 0 HFABRN COc1cccc(S(=O)(=O)N2CC[C@]3(CC(=O)N(c4ccccc4C)C3)C2)c1 ZINC000096238627 559103394 /nfs/dbraw/zinc/10/33/94/559103394.db2.gz HBHOTHVLYIQDHE-NRFANRHFSA-N 0 0 400.500 2.821 40 0 HFABRN O=C(Nc1cccnc1)[C@@H]1CN(C(=O)NCc2cccc(F)c2)CC12CCOCC2 ZINC000096241016 559103606 /nfs/dbraw/zinc/10/36/06/559103606.db2.gz GJNJLCMUPGVLCD-IBGZPJMESA-N 0 0 412.465 2.798 40 0 HFABRN CCCCS(=O)(=O)N1Cc2ccccc2C2(CCN(c3cnccn3)CC2)C1 ZINC000096242574 559104161 /nfs/dbraw/zinc/10/41/61/559104161.db2.gz IYFOUFVYONOOJY-UHFFFAOYSA-N 0 0 400.548 2.960 40 0 HFABRN Cc1cccc(NC(=O)N2CCC3(CC2)O[C@@H](C(=O)NC(C)C)Cn2ccnc23)c1 ZINC000096243659 559104786 /nfs/dbraw/zinc/10/47/86/559104786.db2.gz ACRZBYZYQNYCMK-GOSISDBHSA-N 0 0 411.506 2.638 40 0 HFABRN CC(C)n1cnc2c1[C@@H](C(=O)NCCc1ccncc1)N(Cc1cccnc1)CC2 ZINC000096265056 559107668 /nfs/dbraw/zinc/10/76/68/559107668.db2.gz JZQVMGCTSBTIPW-QFIPXVFZSA-N 0 0 404.518 2.712 40 0 HFABRN Cc1cnc(CNC(=O)c2cc(-c3cnc(N4CCCC4)nc3)cn2CC2CC2)cn1 ZINC000096266422 559107744 /nfs/dbraw/zinc/10/77/44/559107744.db2.gz REJGEKNSUHMYCI-UHFFFAOYSA-N 0 0 417.517 2.984 40 0 HFABRN COc1cccc2c1OC1(CCN(S(=O)(=O)N3CCCC3)CC1)[C@H]1CCCO[C@H]21 ZINC000585261625 559108993 /nfs/dbraw/zinc/10/89/93/559108993.db2.gz MEVDANICNVHFOR-PKOBYXMFSA-N 0 0 422.547 2.731 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409.465 2.519 40 0 HFABRN NC(=O)C[C@H]1CN(C(=O)c2ccc3c(c2)OCO3)CC[C@@H]1Oc1ccc(Cl)cc1 ZINC000257225290 568783489 /nfs/dbraw/zinc/78/34/89/568783489.db2.gz FFQIPUZCKMRUAP-YOEHRIQHSA-N 0 0 416.861 2.854 40 0 HFABRN CC(C)C(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](CCNC(=O)c4cccnn4)OCC[C@@]31C2 ZINC000257226925 568784065 /nfs/dbraw/zinc/78/40/65/568784065.db2.gz FMTTWFQTXIWCCP-UUMOZXFHSA-N 0 0 414.550 2.579 40 0 HFABRN O=C(c1c[nH]nc1[C@H]1CCCCN1S(=O)(=O)c1ccccc1)N1CCCCC1 ZINC000257232711 568785527 /nfs/dbraw/zinc/78/55/27/568785527.db2.gz GMBFNJFLFHOZDH-GOSISDBHSA-N 0 0 402.520 2.952 40 0 HFABRN Cc1nc([C@H]2CCN(C(=O)[C@H]3CCCO3)C2)nc(C)c1CC(=O)NC1CCCCC1 ZINC000257233522 568785789 /nfs/dbraw/zinc/78/57/89/568785789.db2.gz GPPWYQXZHBMRNC-FXAWDEMLSA-N 0 0 414.550 2.580 40 0 HFABRN CN(C)C(=O)c1c[nH]nc1[C@H]1CCCN(C(=O)Cc2csc(-c3cccnc3)n2)C1 ZINC000257239403 568787302 /nfs/dbraw/zinc/78/73/02/568787302.db2.gz HPDBROSJGLMVQH-HNNXBMFYSA-N 0 0 424.530 2.579 40 0 HFABRN Cc1c(CN2CCO[C@H](c3cc(CCOc4ccc(F)c(F)c4)n[nH]3)C2)cnn1C ZINC000257239249 568787330 /nfs/dbraw/zinc/78/73/30/568787330.db2.gz HOONKPRBUMJXDF-NRFANRHFSA-N 0 0 417.460 2.925 40 0 HFABRN COCc1cccc(C(=O)N2CC[C@H](Oc3ccc(F)cc3)[C@@H](CC(N)=O)C2)c1 ZINC000257239810 568787496 /nfs/dbraw/zinc/78/74/96/568787496.db2.gz HQWUFFWYLNTKGY-PXNSSMCTSA-N 0 0 400.450 2.757 40 0 HFABRN CC1(C(=O)N2C[C@@H]3CC[C@H](Oc4cccc(F)c4)[C@@H]3C2)CCN(S(C)(=O)=O)CC1 ZINC000257249282 568790057 /nfs/dbraw/zinc/79/00/57/568790057.db2.gz JHNUHUYZFVTIIE-IPELMVKDSA-N 0 0 424.538 2.503 40 0 HFABRN Cc1nn(C)cc1CN1CCO[C@H](c2cc(CCOc3ccccc3F)n(C)n2)C1 ZINC000257250018 568790332 /nfs/dbraw/zinc/79/03/32/568790332.db2.gz JKRFBEOBSKKKLW-QFIPXVFZSA-N 0 0 413.497 2.796 40 0 HFABRN O=C(c1c[nH]nc1C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)N1CCCC1 ZINC000257251638 568790667 /nfs/dbraw/zinc/79/06/67/568790667.db2.gz JRNXOSCIJZVEKQ-UHFFFAOYSA-N 0 0 422.938 2.867 40 0 HFABRN NC(=O)c1sc2ccccc2c1[C@@H]1CCN(C(=O)Cn2nnc3ccccc32)C1 ZINC000257253211 568791158 /nfs/dbraw/zinc/79/11/58/568791158.db2.gz JXYZGYAKGPWSDL-CYBMUJFWSA-N 0 0 405.483 2.761 40 0 HFABRN COc1ccccc1Cc1cnc([C@@H]2CCCCN2S(=O)(=O)c2cn(C)cn2)o1 ZINC000257259129 568792652 /nfs/dbraw/zinc/79/26/52/568792652.db2.gz KWYYTOHEFQIBGC-KRWDZBQOSA-N 0 0 416.503 2.923 40 0 HFABRN CNc1nc([C@H]2CCN(C(=O)CCOc3ccccc3C)C2)nc2c1CN(C)CC2 ZINC000257259332 568792716 /nfs/dbraw/zinc/79/27/16/568792716.db2.gz KXVSEECCUJKPEO-KRWDZBQOSA-N 0 0 409.534 2.600 40 0 HFABRN Cn1ccnc1-c1cncc(CC2CCN(C(=O)c3ccc4[nH]cnc4c3)CC2)n1 ZINC000257262268 568793441 /nfs/dbraw/zinc/79/34/41/568793441.db2.gz LKTCZSWWZANSGX-UHFFFAOYSA-N 0 0 401.474 2.848 40 0 HFABRN Cc1n[nH]c(C)c1CNC(=O)[C@@]1(C)CCCN(C(=O)c2n[nH]c3ccc(C)cc32)C1 ZINC000257264106 568794098 /nfs/dbraw/zinc/79/40/98/568794098.db2.gz LSZHYIJFSQHCSH-QFIPXVFZSA-N 0 0 408.506 2.770 40 0 HFABRN O=C(CN1CCOC[C@@H](Cc2ccc3ccoc3c2)C1)N1CC(=O)Nc2ccccc21 ZINC000257267234 568794765 /nfs/dbraw/zinc/79/47/65/568794765.db2.gz MGMCGYARNNLIHD-SFHVURJKSA-N 0 0 419.481 2.909 40 0 HFABRN O=C(c1sc2ncccc2c1[C@H]1CCN(C(=O)c2cccnc2)C1)N1CCOCC1 ZINC000257270666 568795837 /nfs/dbraw/zinc/79/58/37/568795837.db2.gz MVECMPXBKKYLMM-INIZCTEOSA-N 0 0 422.510 2.793 40 0 HFABRN O=C(Cn1cccnc1=O)N1CCCC[C@@H]1c1nnc(-c2nccc3ccccc32)o1 ZINC000257279377 568798356 /nfs/dbraw/zinc/79/83/56/568798356.db2.gz OGGXTLOAESGMOM-QGZVFWFLSA-N 0 0 416.441 2.595 40 0 HFABRN CNc1nc([C@H]2CCN(C(=O)c3nccc4ccccc43)C2)nc2c1CCN(C)C2 ZINC000257294477 568802716 /nfs/dbraw/zinc/80/27/16/568802716.db2.gz QUIXKECOCOQUNR-INIZCTEOSA-N 0 0 402.502 2.684 40 0 HFABRN Cc1cc(Cc2cccc(F)c2)cc([C@H]2CN(S(=O)(=O)N3CCCC3)CCO2)n1 ZINC000257305138 568806067 /nfs/dbraw/zinc/80/60/67/568806067.db2.gz SOOJUNTZIMIFSU-OAQYLSRUSA-N 0 0 419.522 2.834 40 0 HFABRN NC(=O)C[C@H]1CN(C(=O)c2cncs2)CC[C@@H]1Oc1cccc(Br)c1 ZINC000257307994 568806833 /nfs/dbraw/zinc/80/68/33/568806833.db2.gz TVAAAEBXOZNFRP-FZMZJTMJSA-N 0 0 424.320 2.691 40 0 HFABRN CCNC(=O)Cc1c(C)nc([C@@H]2CCN(C(=O)c3ccccc3OCC)C2)nc1C ZINC000257318457 568809923 /nfs/dbraw/zinc/80/99/23/568809923.db2.gz VOAITASRKLVKMB-QGZVFWFLSA-N 0 0 410.518 2.800 40 0 HFABRN CCc1onc(C)c1-c1cccc([C@@H]2CN(C(=O)CCc3ccnn3C)CCO2)n1 ZINC000257320454 568810430 /nfs/dbraw/zinc/81/04/30/568810430.db2.gz VWXBLBXUASRTIT-FQEVSTJZSA-N 0 0 409.490 2.874 40 0 HFABRN CCCN1CCN(C(=O)CCC(N)=O)C[C@H](Cc2ccccc2-c2ccccc2)C1=O ZINC000257328170 568812569 /nfs/dbraw/zinc/81/25/69/568812569.db2.gz XELWYCDCGYQGKM-NRFANRHFSA-N 0 0 421.541 2.859 40 0 HFABRN CNc1nc([C@H]2CCN(C(C)=O)C2)nc2c1CCN(Cc1ccc(C)cc1OC)C2 ZINC000257328665 568812573 /nfs/dbraw/zinc/81/25/73/568812573.db2.gz XGQDXKPYFNBTPG-SFHVURJKSA-N 0 0 409.534 2.729 40 0 HFABRN COc1cccc(O[C@H]2CCN(C(=O)COc3ccc(F)cc3F)CC[C@@H]2O)c1 ZINC000257332019 568813650 /nfs/dbraw/zinc/81/36/50/568813650.db2.gz XVKQCEKHRHUTRD-ICSRJNTNSA-N 0 0 407.413 2.783 40 0 HFABRN Cc1nc([C@@H]2CCN(CC(=O)N3CCCC3)C2)nc2c1CCC(=O)N2CCC(C)C ZINC000257340055 568816042 /nfs/dbraw/zinc/81/60/42/568816042.db2.gz ZEHBOKOGOBQQLF-GOSISDBHSA-N 0 0 413.566 2.522 40 0 HFABRN Cc1noc(C)c1CCC(=O)NCc1ccc([C@@H]2NC(=O)N[C@H]3OCCC[C@@H]23)cc1 ZINC000257340351 568816218 /nfs/dbraw/zinc/81/62/18/568816218.db2.gz ZFPUFJHTXHKTSO-JBACZVJFSA-N 0 0 412.490 2.647 40 0 HFABRN O=C(Nc1ccccc1)N[C@@H]1c2ncnn2CC[C@@]12CCN(C(=O)c1ccco1)C2 ZINC000306123835 568886850 /nfs/dbraw/zinc/88/68/50/568886850.db2.gz AYDPNGQMTDTDRW-DYESRHJHSA-N 0 0 406.446 2.670 40 0 HFABRN O=C(Nc1ccccc1)N[C@@H]1c2ncnn2CC[C@]12CCN(C(=O)c1ccco1)C2 ZINC000306123837 568886986 /nfs/dbraw/zinc/88/69/86/568886986.db2.gz AYDPNGQMTDTDRW-UTKZUKDTSA-N 0 0 406.446 2.670 40 0 HFABRN O=C(Cc1ccco1)N1CCC2(CC1)c1ccccc1N(CC1CC1)S2(=O)=O ZINC000306125586 568888318 /nfs/dbraw/zinc/88/83/18/568888318.db2.gz CVANPBJPQOVHJN-UHFFFAOYSA-N 0 0 400.500 2.900 40 0 HFABRN COc1cccc(CN2C[C@@H]3c4cc(-c5cnn(C)c5)ccc4S(=O)(=O)[C@@H]3C2)c1 ZINC000306126409 568889413 /nfs/dbraw/zinc/88/94/13/568889413.db2.gz DUVSHWUDYLWTHN-IFMALSPDSA-N 0 0 409.511 2.851 40 0 HFABRN Cc1ccccc1CC(=O)N1CCC(c2nnc3ccc(-c4cnn(C)c4)nn32)CC1 ZINC000306127236 568889911 /nfs/dbraw/zinc/88/99/11/568889911.db2.gz FSROZTJYUHOVKV-UHFFFAOYSA-N 0 0 415.501 2.782 40 0 HFABRN Cc1cnc(C(=O)N[C@@H]2CCCC[C@]23CN(C[C@H](C)C(F)(F)F)CCO3)cn1 ZINC000306128316 568891140 /nfs/dbraw/zinc/89/11/40/568891140.db2.gz GWYVGBRSRPQMLO-XCRHUMRWSA-N 0 0 400.445 2.727 40 0 HFABRN Cc1cc(CN2CCC[C@@]3(CN(C(=O)c4ccoc4)CC(F)(F)C3)C2=O)n(C)n1 ZINC000306129495 568892002 /nfs/dbraw/zinc/89/20/02/568892002.db2.gz IEWXQSDSXSJCGU-LJQANCHMSA-N 0 0 406.433 2.612 40 0 HFABRN Cc1cc(CN2CCC[C@@]3(CN(C(=O)C4(C)CCC4)CC(F)(F)C3)C2=O)n(C)n1 ZINC000306129854 568892286 /nfs/dbraw/zinc/89/22/86/568892286.db2.gz IOVSXZZVTZKUOK-HXUWFJFHSA-N 0 0 408.493 2.895 40 0 HFABRN Cc1ccc(C(=O)N2C[C@@H]3CCn4c(C(=O)NCc5ccccc5)nnc4[C@H]3C2)cc1 ZINC000306133609 568895657 /nfs/dbraw/zinc/89/56/57/568895657.db2.gz MQUPUXUQKCZMPJ-PMACEKPBSA-N 0 0 415.497 2.776 40 0 HFABRN COc1ncccc1NC(=O)c1nc([C@H]2CCCN2C(=O)N(C)C)n2ccccc12 ZINC000306133545 568895697 /nfs/dbraw/zinc/89/56/97/568895697.db2.gz MPFJIPDJXYUNQG-MRXNPFEDSA-N 0 0 408.462 2.809 40 0 HFABRN Cc1occc1C(=O)N1C[C@@H]2Cc3nnc(C(=O)Nc4cccc(F)c4)n3C[C@@H]2C1 ZINC000306134500 568896581 /nfs/dbraw/zinc/89/65/81/568896581.db2.gz NPJQDUKLKNXDHJ-KBPBESRZSA-N 0 0 409.421 2.515 40 0 HFABRN CC(C)CC(=O)N1CCC2(CC[C@@H]3ON=C(C(=O)NCCc4ccncc4)[C@@H]32)CC1 ZINC000306137301 568899211 /nfs/dbraw/zinc/89/92/11/568899211.db2.gz QSCUNHGVCLIEMW-AZUAARDMSA-N 0 0 412.534 2.560 40 0 HFABRN CC(C)n1cc2c(n1)C1(CCN(c3ncccn3)CC1)CN(C(=O)c1cccn1C)C2 ZINC000306137802 568899570 /nfs/dbraw/zinc/89/95/70/568899570.db2.gz RGRCWNMZCIWJNZ-UHFFFAOYSA-N 0 0 419.533 2.787 40 0 HFABRN O=C(c1ccco1)N1C[C@H](c2cccnc2)[C@]2(C1)OCCN(Cc1ccccc1)C2=O ZINC000306139565 568901410 /nfs/dbraw/zinc/90/14/10/568901410.db2.gz TUHVIKRACHPYTO-YKSBVNFPSA-N 0 0 417.465 2.712 40 0 HFABRN CC(C)CCNC(=O)c1nnc2n1CC1(CC2)CCN(Cc2nccs2)CC1 ZINC000306140137 568901952 /nfs/dbraw/zinc/90/19/52/568901952.db2.gz ULKFGHQUTWXGOJ-UHFFFAOYSA-N 0 0 402.568 2.739 40 0 HFABRN CCOc1ccsc1C(=O)N1CC(F)(F)C[C@]2(CCCN(CCOC)C2=O)C1 ZINC000306142683 568904261 /nfs/dbraw/zinc/90/42/61/568904261.db2.gz XGIMOCLKBFZIDK-GOSISDBHSA-N 0 0 416.490 2.883 40 0 HFABRN COc1ncccc1CN1C[C@H]2c3cc(-c4cccnc4)ccc3S(=O)(=O)[C@H]2C1 ZINC000306142661 568904287 /nfs/dbraw/zinc/90/42/87/568904287.db2.gz XFUKNUPHAYEFFF-FPOVZHCZSA-N 0 0 407.495 2.908 40 0 HFABRN Cc1ccccc1CC(=O)N1CCC2(CC1)CN(C)Cc1nnc(-c3ccco3)n12 ZINC000306143554 568904983 /nfs/dbraw/zinc/90/49/83/568904983.db2.gz YFMISYXXNUFSAT-UHFFFAOYSA-N 0 0 405.502 2.852 40 0 HFABRN Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3ccc(Br)cc3)C2(CO)CO)cc1 ZINC000218229986 568928534 /nfs/dbraw/zinc/92/85/34/568928534.db2.gz ACVIEZBHEAOJPD-DLBZAZTESA-N 0 0 411.317 2.668 40 0 HFABRN COC(=O)c1ccc(I)c(I)c1F ZINC000098174815 568940703 /nfs/dbraw/zinc/94/07/03/568940703.db2.gz LRMJYEQLNHIRPG-UHFFFAOYSA-N 0 0 405.932 2.822 40 0 HFABRN OCCNc1nc(NCCc2ccccc2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328970351 568970414 /nfs/dbraw/zinc/97/04/14/568970414.db2.gz 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0 HFABRN CCc1nccn1CCC(=O)N1CCC[C@H](n2nc(-c3cccs3)ccc2=O)C1 ZINC000012116212 558328314 /nfs/dbraw/zinc/32/83/14/558328314.db2.gz DYCYDTUAABYARK-INIZCTEOSA-N 0 0 411.531 2.985 40 0 HFABRN Cc1nonc1CC(=O)N1CCC(c2nc3sc4c(c3c(=O)[nH]2)CCCC4)CC1 ZINC000012129070 558332018 /nfs/dbraw/zinc/33/20/18/558332018.db2.gz BALKLVIESYDGLB-UHFFFAOYSA-N 0 0 413.503 2.916 40 0 HFABRN O=C(c1cccc(-n2cccc2)c1)N1CCC2(CC1)Nc1ccccc1S(=O)(=O)N2 ZINC000012142352 558334828 /nfs/dbraw/zinc/33/48/28/558334828.db2.gz JNHOECANRFYCFX-UHFFFAOYSA-N 0 0 422.510 2.814 40 0 HFABRN Cc1ccc2[nH]c([C@H]3CCCCN3C(=O)C3CCN(S(C)(=O)=O)CC3)nc2c1 ZINC000012143607 558335455 /nfs/dbraw/zinc/33/54/55/558335455.db2.gz ZZBKDAFAIULUOP-GOSISDBHSA-N 0 0 404.536 2.597 40 0 HFABRN Cn1c2ccccc2nc1SCC(=O)N1CCC2(CC1)Nc1ccccc1C(=O)N2 ZINC000012145762 558337085 /nfs/dbraw/zinc/33/70/85/558337085.db2.gz UDKBYQYRHOXXFN-UHFFFAOYSA-N 0 0 421.526 2.840 40 0 HFABRN Cc1ccc(-c2cc(N)c(=O)n([C@@H](C)C(=O)NCCc3ccccc3F)n2)s1 ZINC000012181647 558343013 /nfs/dbraw/zinc/34/30/13/558343013.db2.gz YDAOGUXPPSURKY-ZDUSSCGKSA-N 0 0 400.479 2.921 40 0 HFABRN COc1ccc(Cl)cc1NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C ZINC000020245158 558351395 /nfs/dbraw/zinc/35/13/95/558351395.db2.gz RHZGPHGKOOOBTG-UHFFFAOYSA-N 0 0 415.874 2.739 40 0 HFABRN CC(C)Oc1cccc(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)N(C)C)c1 ZINC000020245363 558351409 /nfs/dbraw/zinc/35/14/09/558351409.db2.gz CPSGXKGDGJCFSD-UHFFFAOYSA-N 0 0 409.483 2.864 40 0 HFABRN CC1(C)Cc2nc(-c3cccnc3)ncc2[C@@H](NC(=O)[C@@H]2CC(=O)N(C3CC3)C2)C1 ZINC000012221070 558355989 /nfs/dbraw/zinc/35/59/89/558355989.db2.gz YKKWMSAYDHZETP-BEFAXECRSA-N 0 0 405.502 2.679 40 0 HFABRN CCn1c2ccc(S(=O)(=O)NCCc3cc4c(cc3OC)CCC4)cc2oc1=O ZINC000012240300 558360127 /nfs/dbraw/zinc/36/01/27/558360127.db2.gz QBTYDDOMUPSEBH-UHFFFAOYSA-N 0 0 416.499 2.633 40 0 HFABRN CCOc1ccccc1CNC(=O)[C@H](C)N(c1ccc(OC)cc1)S(C)(=O)=O ZINC000020460625 558372832 /nfs/dbraw/zinc/37/28/32/558372832.db2.gz JBDNIQSLKBEPPD-HNNXBMFYSA-N 0 0 406.504 2.565 40 0 HFABRN COC[C@H]1CCCN1C(=O)[C@@H](C)[C@H]1CC[C@@]2(C)CC[C@H](NC(C)=O)[C@@H](C)[C@@H]2[C@H]1O ZINC000020466135 558373854 /nfs/dbraw/zinc/37/38/54/558373854.db2.gz QXHCJQYQGNJXCN-AJODNELGSA-N 0 0 408.583 2.588 40 0 biogenic,in-vitro HFABRN COc1ccc(NC(=O)c2ccc(CS(=O)(=O)N3CCCC3)cc2)cc1OC ZINC000020493730 558379222 /nfs/dbraw/zinc/37/92/22/558379222.db2.gz FRXLOODFXSJHOL-UHFFFAOYSA-N 0 0 404.488 2.882 40 0 HFABRN COc1ccc(-c2cc3nc(CCNC(=O)c4cc(C5CC5)on4)nn3cn2)cc1 ZINC000012328935 558383737 /nfs/dbraw/zinc/38/37/37/558383737.db2.gz HCSDKDVZNMPINI-UHFFFAOYSA-N 0 0 404.430 2.638 40 0 HFABRN O=C(COc1ccccc1F)N1CCC[C@H](c2cc(C(F)F)n3ncnc3n2)C1 ZINC000012406972 558398267 /nfs/dbraw/zinc/39/82/67/558398267.db2.gz FJTCUGBZSSFKAE-LBPRGKRZSA-N 0 0 405.380 2.986 40 0 HFABRN CCOC(=O)[C@@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@@H]1c1ccc(OC)cc1 ZINC000020802057 558415507 /nfs/dbraw/zinc/41/55/07/558415507.db2.gz WZSWDHFLMUGAML-VQTJNVASSA-N 0 0 423.469 2.807 40 0 HFABRN CCOC(=O)[C@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@@H]1c1ccc(OC)cc1 ZINC000020802054 558415521 /nfs/dbraw/zinc/41/55/21/558415521.db2.gz WZSWDHFLMUGAML-WOJBJXKFSA-N 0 0 423.469 2.807 40 0 HFABRN COc1ccc(CN(C)C(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)cc1 ZINC000021635336 558443806 /nfs/dbraw/zinc/44/38/06/558443806.db2.gz QISZCMCGKZYNBQ-MRXNPFEDSA-N 0 0 408.545 2.816 40 0 HFABRN Cc1nn(C[C@H](C)C(=O)N2CCc3nc4sccc4c(=O)n3CC2)c(C)c1Cl ZINC000012735619 558457375 /nfs/dbraw/zinc/45/73/75/558457375.db2.gz LNKNPWLLFUBVQS-NSHDSACASA-N 0 0 419.938 2.646 40 0 HFABRN CC(C)NS(=O)(=O)c1ccc(CCNC(=O)COc2ccc(Cl)cc2)cc1 ZINC000022227532 558467398 /nfs/dbraw/zinc/46/73/98/558467398.db2.gz OZEMBYIQEWOWTD-UHFFFAOYSA-N 0 0 410.923 2.764 40 0 HFABRN CCn1cc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c(=O)c2ccccc21 ZINC000022234463 558470125 /nfs/dbraw/zinc/47/01/25/558470125.db2.gz FDTZETOWHUQSCA-UHFFFAOYSA-N 0 0 419.481 2.708 40 0 HFABRN CC1CCN(C(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000022247005 558472238 /nfs/dbraw/zinc/47/22/38/558472238.db2.gz ALMZNQMIVJUMMI-FQEVSTJZSA-N 0 0 404.507 2.974 40 0 HFABRN CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](C)CC)cc1 ZINC000022247607 558472562 /nfs/dbraw/zinc/47/25/62/558472562.db2.gz VBSNUONDGBBHHE-OXJNMPFZSA-N 0 0 404.532 2.890 40 0 HFABRN CCS(=O)(=O)N(C)c1cc(OC)c(OC)cc1C(=O)N[C@H](C)c1ccccc1 ZINC000022252557 558473577 /nfs/dbraw/zinc/47/35/77/558473577.db2.gz IRTYHXPNUYZXKQ-CQSZACIVSA-N 0 0 406.504 2.981 40 0 HFABRN CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NC2CC2)cc1C ZINC000022268091 558475165 /nfs/dbraw/zinc/47/51/65/558475165.db2.gz BDHIBLFPNQZWOZ-LJQANCHMSA-N 0 0 402.516 2.562 40 0 HFABRN CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCC(C)C)cc1 ZINC000022271143 558475327 /nfs/dbraw/zinc/47/53/27/558475327.db2.gz NOSNNYQHJVGHLD-FQEVSTJZSA-N 0 0 404.532 2.747 40 0 HFABRN Cc1ccc(OC[C@H](C)NC(=O)CN(c2cc(C)ccc2C)S(C)(=O)=O)cc1 ZINC000022328860 558479227 /nfs/dbraw/zinc/47/92/27/558479227.db2.gz OBTQISVJYIFLMJ-SFHVURJKSA-N 0 0 404.532 2.962 40 0 HFABRN CCOc1ccc(N(CC(=O)N[C@H](C)COc2ccccc2C)S(C)(=O)=O)cc1 ZINC000022333299 558480689 /nfs/dbraw/zinc/48/06/89/558480689.db2.gz NBNGOMTWURCETA-QGZVFWFLSA-N 0 0 420.531 2.743 40 0 HFABRN COc1ccc(N(CC(=O)N[C@@H](C)c2cc(C)ccc2C)S(C)(=O)=O)cc1OC ZINC000022334130 558480872 /nfs/dbraw/zinc/48/08/72/558480872.db2.gz WJLCOVLZHSQKJV-INIZCTEOSA-N 0 0 420.531 2.964 40 0 HFABRN O=C(Nc1ccccc1C(=O)NC[C@@H]1CCCO1)c1cccc(CN2CCOCC2)c1 ZINC000022518448 558494330 /nfs/dbraw/zinc/49/43/30/558494330.db2.gz NLPLKJBTTWCAJZ-FQEVSTJZSA-N 0 0 423.513 2.680 40 0 HFABRN COc1ccccc1CCCNC(=O)c1ccc(CS(=O)(=O)N2CCCC2)cc1 ZINC000022524618 558495505 /nfs/dbraw/zinc/49/55/05/558495505.db2.gz BZSSEMFSILWMTM-UHFFFAOYSA-N 0 0 416.543 2.983 40 0 HFABRN CS(=O)(=O)N1C[C@@H](C(=O)NCc2ccc(Cl)cc2Cl)Oc2ccccc21 ZINC000022528907 558496514 /nfs/dbraw/zinc/49/65/14/558496514.db2.gz TWAQTTFCYUCLRN-INIZCTEOSA-N 0 0 415.298 2.837 40 0 HFABRN CC(=O)Cn1c2ccccc2c2c1CN([C@@H]1CC(=O)N(c3ccccc3)C1=O)CC2 ZINC000022607626 558500824 /nfs/dbraw/zinc/50/08/24/558500824.db2.gz NSUKGTKPRVBXPG-OAQYLSRUSA-N 0 0 401.466 2.921 40 0 HFABRN CCc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCC(C)CC4)[nH]c(=O)c32)cc1 ZINC000022610059 558501434 /nfs/dbraw/zinc/50/14/34/558501434.db2.gz LEYQKUPKCFDIHC-INIZCTEOSA-N 0 0 409.490 2.633 40 0 HFABRN Cc1ccc([C@H](C)N2CCN(CC(=O)N3CCC[C@@H](c4csnn4)C3)CC2)cc1 ZINC000022922419 558522668 /nfs/dbraw/zinc/52/26/68/558522668.db2.gz DWNHJVMHWYQPCF-AZUAARDMSA-N 0 0 413.591 2.931 40 0 HFABRN Cc1ccc(OCCNC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2C)cc1 ZINC000023038749 558530940 /nfs/dbraw/zinc/53/09/40/558530940.db2.gz FSHCYHKWBGRDEL-UHFFFAOYSA-N 0 0 402.516 2.897 40 0 HFABRN O=C(NCCCN1CCCC1=O)c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1 ZINC000013450367 558533080 /nfs/dbraw/zinc/53/30/80/558533080.db2.gz LWWWOXGVLDJFBE-UHFFFAOYSA-N 0 0 421.379 2.750 40 0 HFABRN CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccccc2C(=O)OC)ccc1OC ZINC000013581421 558544754 /nfs/dbraw/zinc/54/47/54/558544754.db2.gz SWFXKKOOZVIOTD-UHFFFAOYSA-N 0 0 420.487 2.765 40 0 HFABRN COc1ccc(C(=O)N2CCCCC2)cc1S(=O)(=O)NCCc1ccccc1 ZINC000013581894 558545104 /nfs/dbraw/zinc/54/51/04/558545104.db2.gz VLODDNFOUMGVBS-UHFFFAOYSA-N 0 0 402.516 2.842 40 0 HFABRN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1c2ccccc2C[C@H]1C ZINC000013669292 558560911 /nfs/dbraw/zinc/56/09/11/558560911.db2.gz RRQCBEZGJMLWLI-MRXNPFEDSA-N 0 0 400.500 2.607 40 0 HFABRN CCOC(=O)c1cccc(NC(=O)CN(c2ccc(CC)cc2)S(C)(=O)=O)c1 ZINC000013674087 558563687 /nfs/dbraw/zinc/56/36/87/558563687.db2.gz KKRSCFWAJRRTDN-UHFFFAOYSA-N 0 0 404.488 2.830 40 0 HFABRN CS(=O)(=O)Nc1cccc(C(=O)Nc2ccccc2C(=O)NCc2ccco2)c1 ZINC000013677953 558565081 /nfs/dbraw/zinc/56/50/81/558565081.db2.gz IUPIUUJCMPDCLK-UHFFFAOYSA-N 0 0 413.455 2.833 40 0 HFABRN Cc1ccc(CSCCNC(=O)CCN2C(=O)c3ccccc3S2(=O)=O)cc1 ZINC000023951598 558582194 /nfs/dbraw/zinc/58/21/94/558582194.db2.gz RTEQWPYNWNLOPG-UHFFFAOYSA-N 0 0 418.540 2.579 40 0 HFABRN CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@H]3C[C@@H](O)CC(=O)O3)[C@H]21 ZINC000026182770 558656761 /nfs/dbraw/zinc/65/67/61/558656761.db2.gz OQARDMYXSOFTLN-PCXYPTFZSA-N 0 0 406.519 2.920 40 0 in-vitro HFABRN O=C(Nc1ccccc1C(=O)N1CCOCC1)c1ccc(CN2CCCC2=O)cc1 ZINC000027974730 558686570 /nfs/dbraw/zinc/68/65/70/558686570.db2.gz ZWGSSZFMAQDZSL-UHFFFAOYSA-N 0 0 407.470 2.534 40 0 HFABRN C[C@H](Oc1ccccc1Cl)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000015330637 558733803 /nfs/dbraw/zinc/73/38/03/558733803.db2.gz GFSPQXZINKFPQK-HNNXBMFYSA-N 0 0 408.907 2.640 40 0 HFABRN CC[C@H](NC(=O)[C@H](C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O)c1ccccc1 ZINC000030854002 558740620 /nfs/dbraw/zinc/74/06/20/558740620.db2.gz STPJCSBILPDDBB-YJBOKZPZSA-N 0 0 418.515 2.880 40 0 HFABRN C[C@@H](CCc1ccccc1)NC(=O)c1ccc(CS(=O)(=O)N2CCOCC2)cc1 ZINC000030855036 558740892 /nfs/dbraw/zinc/74/08/92/558740892.db2.gz GGWHYGOLDGTEAZ-SFHVURJKSA-N 0 0 416.543 2.600 40 0 HFABRN CC[C@@H](C(=O)NCc1ccc(OC)c(OC)c1)N(c1ccccc1)S(C)(=O)=O ZINC000030863131 558742082 /nfs/dbraw/zinc/74/20/82/558742082.db2.gz CRLKVJHILVHGLW-KRWDZBQOSA-N 0 0 406.504 2.565 40 0 HFABRN COc1ccc(CCCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)cc1 ZINC000030865491 558742401 /nfs/dbraw/zinc/74/24/01/558742401.db2.gz NFZGUWDUMLIWTM-QGZVFWFLSA-N 0 0 422.572 2.906 40 0 HFABRN CCc1ccc(N(CC(=O)Nc2ccc(N3CCCC3=O)cc2)S(C)(=O)=O)cc1 ZINC000030870288 558743154 /nfs/dbraw/zinc/74/31/54/558743154.db2.gz VXNTXOMRRJBFKC-UHFFFAOYSA-N 0 0 415.515 2.781 40 0 HFABRN Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)N[C@@H](C)CCc1ccccc1)O2 ZINC000030943919 558746222 /nfs/dbraw/zinc/74/62/22/558746222.db2.gz ARGDDKYETSYYAJ-OXJNMPFZSA-N 0 0 402.516 2.660 40 0 HFABRN Cc1ccc(C)c([C@H](C)NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 ZINC000015693654 558749222 /nfs/dbraw/zinc/74/92/22/558749222.db2.gz HBPORIUWMFVGGP-KRWDZBQOSA-N 0 0 402.516 2.815 40 0 HFABRN Cc1cc(OCC(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)ccc1Cl ZINC000015718217 558749611 /nfs/dbraw/zinc/74/96/11/558749611.db2.gz BDYRFHHTFRMORN-UHFFFAOYSA-N 0 0 408.907 2.867 40 0 HFABRN COc1ccccc1[C@H](C)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C ZINC000015967107 558764436 /nfs/dbraw/zinc/76/44/36/558764436.db2.gz WDZPDRWTGNOPLG-INIZCTEOSA-N 0 0 418.515 2.516 40 0 HFABRN COc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)Nc1c(F)cccc1F ZINC000016188017 558776552 /nfs/dbraw/zinc/77/65/52/558776552.db2.gz JCZXJFFDSZEEMD-UHFFFAOYSA-N 0 0 404.822 2.886 40 0 HFABRN COc1ccc(F)cc1S(=O)(=O)N(C)CC(=O)Nc1ccc(F)c(Cl)c1 ZINC000016188175 558776751 /nfs/dbraw/zinc/77/67/51/558776751.db2.gz DFDIHQPEYLMMRW-UHFFFAOYSA-N 0 0 404.822 2.886 40 0 HFABRN O=c1ccn(CCOc2ccc(Br)cc2Cc2ccccc2)c(=O)[nH]1 ZINC000035324975 558790232 /nfs/dbraw/zinc/79/02/32/558790232.db2.gz AQFIWJAXKXDKHW-UHFFFAOYSA-N 0 0 401.260 2.969 40 0 HFABRN O=C(CN1CCN(c2ncccn2)CC1)N(Cc1ccccc1)c1ccc(F)cc1 ZINC000036058333 558797368 /nfs/dbraw/zinc/79/73/68/558797368.db2.gz AAFWFVZHWDWSPW-UHFFFAOYSA-N 0 0 405.477 2.971 40 0 HFABRN CCOc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](C)CCc2ccccc2)cc1 ZINC000016691795 558800098 /nfs/dbraw/zinc/80/00/98/558800098.db2.gz FQPRLFWYDWDOML-QGZVFWFLSA-N 0 0 404.532 2.843 40 0 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ZINC000222465605 568516206 /nfs/dbraw/zinc/51/62/06/568516206.db2.gz JUETXPWMWJGADA-UHFFFAOYSA-N 0 0 414.487 2.679 40 0 HFABRN Cc1ccc(-c2noc(CNC(=O)c3ccc(N(C)S(C)(=O)=O)c(C)c3)n2)cc1 ZINC000222486116 568516525 /nfs/dbraw/zinc/51/65/25/568516525.db2.gz JNHAWFAHPNYOAD-UHFFFAOYSA-N 0 0 414.487 2.679 40 0 HFABRN COC(=O)c1ccc(NC(=O)CCNC(=O)c2ccc3c(c2)nc(Cl)n3C)cc1 ZINC000222549452 568517966 /nfs/dbraw/zinc/51/79/66/568517966.db2.gz NXLFBZJTLKHIBO-UHFFFAOYSA-N 0 0 414.849 2.772 40 0 HFABRN COc1ccc(OC[C@@H](C)NC(=O)c2cccc(N3CCCCS3(=O)=O)c2)cc1 ZINC000222557067 568518297 /nfs/dbraw/zinc/51/82/97/568518297.db2.gz XGDRBBLULTTXND-MRXNPFEDSA-N 0 0 418.515 2.823 40 0 HFABRN COC(=O)c1cn(C(=O)CN(c2ccc(C)cc2)S(C)(=O)=O)c2ccccc12 ZINC000222580514 568519102 /nfs/dbraw/zinc/51/91/02/568519102.db2.gz ZSSMQDGWMOGYNE-UHFFFAOYSA-N 0 0 400.456 2.843 40 0 HFABRN COc1ccc(OC[C@H](C)NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2)cc1 ZINC000222585844 568519449 /nfs/dbraw/zinc/51/94/49/568519449.db2.gz JMMLNPKHTLELJO-INIZCTEOSA-N 0 0 418.515 2.823 40 0 HFABRN CCS(=O)(=O)N1CCC(C(=O)NCCSCc2c(F)cccc2Cl)CC1 ZINC000222620597 568521094 /nfs/dbraw/zinc/52/10/94/568521094.db2.gz PFWSAHODSINCMV-UHFFFAOYSA-N 0 0 422.975 2.890 40 0 HFABRN CNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(OC)c(OC)c1 ZINC000222625304 568521253 /nfs/dbraw/zinc/52/12/53/568521253.db2.gz GXRJRJDOYKPWDC-HNNXBMFYSA-N 0 0 402.466 2.939 40 0 HFABRN CCOc1ccccc1CNC(=O)[C@@H](CC)Oc1ccc(N(C)S(C)(=O)=O)cc1 ZINC000222635499 568521718 /nfs/dbraw/zinc/52/17/18/568521718.db2.gz JIKKTIILHGNYRO-LJQANCHMSA-N 0 0 420.531 2.955 40 0 HFABRN COC(=O)c1cn(C(=O)CN(Cc2ccccc2)S(C)(=O)=O)c2ccccc12 ZINC000222647667 568522191 /nfs/dbraw/zinc/52/21/91/568522191.db2.gz FEKFZYDQGWRHJX-UHFFFAOYSA-N 0 0 400.456 2.530 40 0 HFABRN CS(=O)(=O)N(CC(=O)NCc1ccc2ccccc2c1)c1ccc2c(c1)OCO2 ZINC000222768699 568525975 /nfs/dbraw/zinc/52/59/75/568525975.db2.gz NPJQKXUCQIOOSQ-UHFFFAOYSA-N 0 0 412.467 2.651 40 0 HFABRN CCCNS(=O)(=O)c1ccc(OCC(=O)N(C)Cc2ccccc2F)c(C)c1 ZINC000222788929 568526661 /nfs/dbraw/zinc/52/66/61/568526661.db2.gz NNXLJGLFIKNONJ-UHFFFAOYSA-N 0 0 408.495 2.860 40 0 HFABRN Cc1ccc2c(c1)O[C@@H](C(=O)NCc1ccc3ccccc3c1)CN2S(C)(=O)=O ZINC000222797925 568526803 /nfs/dbraw/zinc/52/68/03/568526803.db2.gz KAJOQNQQFMKALK-OAQYLSRUSA-N 0 0 410.495 2.992 40 0 HFABRN CC[C@H](C(=O)Nc1nnc(SC)s1)N(c1cccc(C)c1)S(C)(=O)=O ZINC000222954296 568532270 /nfs/dbraw/zinc/53/22/70/568532270.db2.gz HFUFLDHSMCBWKH-GFCCVEGCSA-N 0 0 400.551 2.752 40 0 HFABRN C[C@@H](NC(=O)[C@@H]1CN(S(C)(=O)=O)c2ccccc2O1)c1ccc2c(c1)CCCC2 ZINC000222966107 568532520 /nfs/dbraw/zinc/53/25/20/568532520.db2.gz UEQMOKPNFBFETM-VFNWGFHPSA-N 0 0 414.527 2.970 40 0 HFABRN O=C(Cc1ccccc1)N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)NCCO ZINC000223062069 568536173 /nfs/dbraw/zinc/53/61/73/568536173.db2.gz VAODDKJPIATBND-XMMPIXPASA-N 0 0 416.521 2.978 40 0 HFABRN CCN(CC(=O)N[C@@H](C)c1ccc(OC)cc1)S(=O)(=O)c1ccc(OC)cc1 ZINC000223062637 568536181 /nfs/dbraw/zinc/53/61/81/568536181.db2.gz YUFATPIBQQYTNF-HNNXBMFYSA-N 0 0 406.504 2.592 40 0 HFABRN COc1ccc([C@@H](C)NC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)cc1OC ZINC000223066141 568536287 /nfs/dbraw/zinc/53/62/87/568536287.db2.gz AAFAUSHAWUOPHB-CQSZACIVSA-N 0 0 418.515 2.907 40 0 HFABRN CCSc1nnc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)s1 ZINC000223081653 568536874 /nfs/dbraw/zinc/53/68/74/568536874.db2.gz YJWMNDOOLRXZJH-JTQLQIEISA-N 0 0 418.591 2.751 40 0 HFABRN CC[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)N(C)C)C1)c1ccc2c(c1)CCCC2 ZINC000223093689 568537329 /nfs/dbraw/zinc/53/73/29/568537329.db2.gz USZPGIGRIGBJBI-UXHICEINSA-N 0 0 407.580 2.651 40 0 HFABRN COc1ccc(N(CC(=O)N[C@@H](C)c2ccc3c(c2)CCC3)S(C)(=O)=O)cc1 ZINC000223168722 568539970 /nfs/dbraw/zinc/53/99/70/568539970.db2.gz LPGAOBJKDZCTEX-HNNXBMFYSA-N 0 0 402.516 2.827 40 0 HFABRN C[C@H](NC(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O)c1ccc2c(c1)CCC2 ZINC000223179471 568540197 /nfs/dbraw/zinc/54/01/97/568540197.db2.gz XXLWQOYZPDKKFO-AWEZNQCLSA-N 0 0 416.499 2.547 40 0 HFABRN CCOc1ccccc1N(CC(=O)N[C@@H](C)c1ccccc1OC)S(C)(=O)=O ZINC000223181033 568540393 /nfs/dbraw/zinc/54/03/93/568540393.db2.gz PTNSOYUVXKRMIQ-HNNXBMFYSA-N 0 0 406.504 2.737 40 0 HFABRN CSc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](C)COc2ccc(C)cc2)cc1 ZINC000223203797 568540986 /nfs/dbraw/zinc/54/09/86/568540986.db2.gz JBAVYBQHAZFCSH-INIZCTEOSA-N 0 0 422.572 2.921 40 0 HFABRN CCSc1nnc(NC(=O)[C@H](CC)N(c2ccccc2F)S(C)(=O)=O)s1 ZINC000223232830 568541866 /nfs/dbraw/zinc/54/18/66/568541866.db2.gz HOQRAJLYGCYWQE-NSHDSACASA-N 0 0 418.541 2.973 40 0 HFABRN CCOC(=O)c1ccc(NC(=O)CN(Cc2ccc(C)cc2)S(C)(=O)=O)c(C)c1 ZINC000223270865 568543515 /nfs/dbraw/zinc/54/35/15/568543515.db2.gz ZZKKFACCACBXMM-UHFFFAOYSA-N 0 0 418.515 2.880 40 0 HFABRN CC(C)Sc1nnc(NC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)s1 ZINC000223295261 568544346 /nfs/dbraw/zinc/54/43/46/568544346.db2.gz BRGKPIXIKZACGM-UHFFFAOYSA-N 0 0 404.514 2.582 40 0 HFABRN CCOC(=O)c1ccccc1NC(=O)CN(Cc1ccc(C)cc1)S(C)(=O)=O ZINC000223296524 568544347 /nfs/dbraw/zinc/54/43/47/568544347.db2.gz ZLRSJFZYVOAPBV-UHFFFAOYSA-N 0 0 404.488 2.572 40 0 HFABRN COc1ccc(OC)c([C@H](C)NC(=O)c2ccc(N(C)S(C)(=O)=O)c(C)c2)c1 ZINC000223298651 568544385 /nfs/dbraw/zinc/54/43/85/568544385.db2.gz RTNJPFNGVITVLD-AWEZNQCLSA-N 0 0 406.504 2.899 40 0 HFABRN CN(CC(=O)NCCOc1ccccc1Cl)S(=O)(=O)c1ccc(Cl)cc1 ZINC000223333616 568545587 /nfs/dbraw/zinc/54/55/87/568545587.db2.gz UWLOWPITGSVVMQ-UHFFFAOYSA-N 0 0 417.314 2.809 40 0 HFABRN CSc1nnc(NC(=O)CN(c2cccc3ccccc32)S(C)(=O)=O)s1 ZINC000223333874 568545593 /nfs/dbraw/zinc/54/55/93/568545593.db2.gz NKPICUGBQCABGT-UHFFFAOYSA-N 0 0 408.530 2.818 40 0 HFABRN CSc1ncc(C(=O)NC(C)(C)C)c(N(C)S(=O)(=O)c2ccc(C)cc2)n1 ZINC000223400718 568547560 /nfs/dbraw/zinc/54/75/60/568547560.db2.gz CCLADZVHKWTWCV-UHFFFAOYSA-N 0 0 408.549 2.860 40 0 HFABRN Cc1ccc(CN(CC(=O)N[C@@H](C)COc2ccc(C)c(C)c2)S(C)(=O)=O)cc1 ZINC000223523716 568550921 /nfs/dbraw/zinc/55/09/21/568550921.db2.gz CMNDJZZEFDMFCQ-IBGZPJMESA-N 0 0 418.559 2.957 40 0 HFABRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCO)c(C)n1Cc1cccnc1 ZINC000223565751 568551849 /nfs/dbraw/zinc/55/18/49/568551849.db2.gz BFZYWJFOZNUDLZ-LEWJYISDSA-N 0 0 407.543 2.908 40 0 HFABRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)c(C)n1Cc1cccnc1 ZINC000223565649 568551855 /nfs/dbraw/zinc/55/18/55/568551855.db2.gz BFZYWJFOZNUDLZ-NHCUHLMSSA-N 0 0 407.543 2.908 40 0 HFABRN CCS(=O)(=O)N(C)c1ccc(C(=O)N[C@@H](C)c2cc(OC)ccc2OC)cc1 ZINC000223583445 568552426 /nfs/dbraw/zinc/55/24/26/568552426.db2.gz WYWCDBNLNTXFIH-AWEZNQCLSA-N 0 0 406.504 2.981 40 0 HFABRN COC(=O)c1ccccc1-n1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1CCO ZINC000223600108 568552988 /nfs/dbraw/zinc/55/29/88/568552988.db2.gz YLZIQRBGBCBECT-PMACEKPBSA-N 0 0 422.510 2.624 40 0 HFABRN COC(=O)c1ccccc1-n1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1CCO ZINC000223600001 568552995 /nfs/dbraw/zinc/55/29/95/568552995.db2.gz YLZIQRBGBCBECT-UXHICEINSA-N 0 0 422.510 2.624 40 0 HFABRN CC(C)(C)c1ccc(OCCNC(=O)CN(c2ccccc2)S(C)(=O)=O)cc1 ZINC000223614612 568553369 /nfs/dbraw/zinc/55/33/69/568553369.db2.gz AWNBPZQVYJLONU-UHFFFAOYSA-N 0 0 404.532 2.945 40 0 HFABRN COC(=O)c1cc(S(=O)(=O)N(C)Cc2nc(-c3ccccc3C)no2)ccc1C ZINC000223614485 568553381 /nfs/dbraw/zinc/55/33/81/568553381.db2.gz HOYVXZWFVCKBMH-UHFFFAOYSA-N 0 0 415.471 2.961 40 0 HFABRN CCCc1ccc(OCCNC(=O)CN(c2ccc(C)cc2)S(C)(=O)=O)cc1 ZINC000223620169 568553446 /nfs/dbraw/zinc/55/34/46/568553446.db2.gz WVHRDJCZYCDTAS-UHFFFAOYSA-N 0 0 404.532 2.909 40 0 HFABRN CCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)COc1cc(OC)cc(OC)c1 ZINC000223625324 568553730 /nfs/dbraw/zinc/55/37/30/568553730.db2.gz FHYADCYPUSXUGA-QGZVFWFLSA-N 0 0 414.502 2.944 40 0 HFABRN COc1ccc(-c2noc(CNS(=O)(=O)Cc3cccc(C)c3)n2)cc1OC ZINC000223625833 568553773 /nfs/dbraw/zinc/55/37/73/568553773.db2.gz FZWGERKODYDOIW-UHFFFAOYSA-N 0 0 403.460 2.682 40 0 HFABRN CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccccn1 ZINC000223640099 568554478 /nfs/dbraw/zinc/55/44/78/568554478.db2.gz IXYWLZDZMQWMOU-VQTJNVASSA-N 0 0 407.499 2.803 40 0 HFABRN CCOc1ccccc1N(CC(=O)NCCOc1ccc(C)cc1C)S(C)(=O)=O ZINC000223650801 568554897 /nfs/dbraw/zinc/55/48/97/568554897.db2.gz XGRHEYGYIIYQHS-UHFFFAOYSA-N 0 0 420.531 2.663 40 0 HFABRN CCOc1ccccc1N(CC(=O)NCCc1ccc(Cl)cc1)S(C)(=O)=O ZINC000223649307 568554935 /nfs/dbraw/zinc/55/49/35/568554935.db2.gz HBSKHFKDGKUDSP-UHFFFAOYSA-N 0 0 410.923 2.864 40 0 HFABRN CCCC[C@@H](CC)CNC(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O ZINC000223659065 568555255 /nfs/dbraw/zinc/55/52/55/568555255.db2.gz ICZRMSFMFWCNMB-OAHLLOKOSA-N 0 0 400.541 2.802 40 0 HFABRN CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1Cc1ccccn1 ZINC000223666341 568555500 /nfs/dbraw/zinc/55/55/00/568555500.db2.gz CMYRMEFRNRLDNO-NHCUHLMSSA-N 0 0 421.526 2.862 40 0 HFABRN COc1ccc(C)cc1N(CC(=O)NCCc1ccc(Cl)cc1)S(C)(=O)=O ZINC000223672615 568555705 /nfs/dbraw/zinc/55/57/05/568555705.db2.gz IIVZEWGYPWREGI-UHFFFAOYSA-N 0 0 410.923 2.782 40 0 HFABRN CCC(=O)N1CCc2cc(S(=O)(=O)NCc3nc(-c4cccs4)no3)ccc21 ZINC000223682311 568556116 /nfs/dbraw/zinc/55/61/16/568556116.db2.gz RRGMBIMVWDUFJK-UHFFFAOYSA-N 0 0 418.500 2.576 40 0 HFABRN 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ZINC000015920246 569345076 /nfs/dbraw/zinc/34/50/76/569345076.db2.gz HDXAZCLBSSSYHE-GEYWLOKFSA-N 0 0 405.491 2.805 40 0 HFABRN CN(C)c1ncccc1CN1CCO[C@@H](c2ccc(-c3ccc(C(N)=O)cc3)cn2)C1 ZINC000019693508 569346435 /nfs/dbraw/zinc/34/64/35/569346435.db2.gz TVTNVYQSMKSNQC-JOCHJYFZSA-N 0 0 417.513 2.882 40 0 HFABRN COCc1ccc(C(=O)N2CC[C@@H](c3nc(N(C)C)ncc3-c3cnn(C)c3)C2)cc1 ZINC000019693740 569346618 /nfs/dbraw/zinc/34/66/18/569346618.db2.gz VRFKPAZGKQQIKR-GOSISDBHSA-N 0 0 420.517 2.719 40 0 HFABRN CC(=O)N1CCC[C@]1(Cc1cc(-c2ccccc2)no1)C(=O)NC[C@@H]1CCCOC1 ZINC000019696628 569346808 /nfs/dbraw/zinc/34/68/08/569346808.db2.gz FFFJYSMGNBEXJK-MBSDFSHPSA-N 0 0 411.502 2.808 40 0 HFABRN COc1ccc(-c2nc([C@@H]3CCCN(C(=O)Cc4ccccn4)C3)[nH]c2C(N)=O)cc1 ZINC000019698980 569346984 /nfs/dbraw/zinc/34/69/84/569346984.db2.gz WPDPBKMXMVMEOK-MRXNPFEDSA-N 0 0 419.485 2.528 40 0 HFABRN CC(C)C(=O)N(C)Cc1nc([C@H]2CC(=O)N(c3ccc(F)cc3)C2)cc(N(C)C)n1 ZINC000019700853 569347242 /nfs/dbraw/zinc/34/72/42/569347242.db2.gz RJEOZZNXYCALNI-HNNXBMFYSA-N 0 0 413.497 2.817 40 0 HFABRN CC(=O)Nc1ccc(C(=O)N2CC[C@H](c3c4cccnc4sc3C(N)=O)C2)cc1 ZINC000019702155 569347442 /nfs/dbraw/zinc/34/74/42/569347442.db2.gz BDTYYRYDAZGAHA-AWEZNQCLSA-N 0 0 408.483 2.983 40 0 HFABRN CNc1cc(CN(C)C(=O)Cc2c[nH]c3ccccc23)nc([C@H]2CCCN2C(C)=O)n1 ZINC000019759836 569348783 /nfs/dbraw/zinc/34/87/83/569348783.db2.gz DTOGRXDKCNJVCL-HXUWFJFHSA-N 0 0 420.517 2.884 40 0 HFABRN Cc1ncc(C(=O)NCc2ccccc2)c([C@@H]2CCCN2C(=O)c2cccnc2N)n1 ZINC000019767168 569349089 /nfs/dbraw/zinc/34/90/89/569349089.db2.gz QUGYXKMPRNZPEE-IBGZPJMESA-N 0 0 416.485 2.670 40 0 HFABRN CCS(=O)(=O)N1CCCC[C@H]1c1nc(C)ncc1C(=O)NCc1ccccc1 ZINC000019766485 569349104 /nfs/dbraw/zinc/34/91/04/569349104.db2.gz WNRPAYOSTNTIBW-SFHVURJKSA-N 0 0 402.520 2.592 40 0 HFABRN CCN(CC)S(=O)(=O)N1CCC[C@H]1c1nc(C)ncc1C(=O)NC1CCCCC1 ZINC000019767154 569349108 /nfs/dbraw/zinc/34/91/08/569349108.db2.gz STFGIVAFBQLXAT-SFHVURJKSA-N 0 0 423.583 2.571 40 0 HFABRN Cc1ccc(S(=O)(=O)N2CCN(c3cc(Cl)ccc3C)CC2)cc1C(N)=O ZINC000026750510 569350004 /nfs/dbraw/zinc/35/00/04/569350004.db2.gz LOZQPAVQBUGYRP-UHFFFAOYSA-N 0 0 407.923 2.567 40 0 HFABRN Cc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2C(=O)N[C@H](C)CCc2ccccc2)cc1 ZINC000028209664 569350178 /nfs/dbraw/zinc/35/01/78/569350178.db2.gz UTRZDHCCWWMYHZ-YLJYHZDGSA-N 0 0 414.527 2.812 40 0 HFABRN COCCCNC(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000033596597 569350673 /nfs/dbraw/zinc/35/06/73/569350673.db2.gz UOKUXNMQWRRIRU-UHFFFAOYSA-N 0 0 410.923 2.996 40 0 HFABRN COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NC3CCCCCC3)C2)cc1OC ZINC000033663627 569350934 /nfs/dbraw/zinc/35/09/34/569350934.db2.gz ORZDSLCVOSVVNS-MRXNPFEDSA-N 0 0 424.563 2.944 40 0 HFABRN COc1cc([C@H]2CC(=O)N=C3NC=NN32)ccc1OCC(=O)Nc1cc(C)cc(C)c1 ZINC000038201910 569351787 /nfs/dbraw/zinc/35/17/87/569351787.db2.gz QVKRTHAZGBDTJQ-QGZVFWFLSA-N 0 0 421.457 2.505 40 0 HFABRN CCc1cccc2c(/C=C3\NC(=S)N(C)C3=O)cn(CC(=O)NC3CCCC3)c21 ZINC000039556786 569351934 /nfs/dbraw/zinc/35/19/34/569351934.db2.gz JYRONQZCERQLNZ-WQRHYEAKSA-N 0 0 410.543 2.950 40 0 HFABRN COc1ccccc1[C@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000048076649 569352188 /nfs/dbraw/zinc/35/21/88/569352188.db2.gz YZHPGHNJVKLYQQ-IRXDYDNUSA-N 0 0 402.516 2.973 40 0 HFABRN CC(=O)Nc1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)c1 ZINC000052411974 569352271 /nfs/dbraw/zinc/35/22/71/569352271.db2.gz TZTRRFSIDWEGHL-QGZVFWFLSA-N 0 0 415.515 2.993 40 0 HFABRN CCN(CC)C(=O)c1ccccc1NC(=O)CN(c1ccccc1C)S(C)(=O)=O ZINC000052410887 569352272 /nfs/dbraw/zinc/35/22/72/569352272.db2.gz VQWPTEZLICHEBX-UHFFFAOYSA-N 0 0 417.531 2.882 40 0 HFABRN C[C@@H]1CCC[C@@H](C)N1c1nc2c(c(=O)[nH]1)[C@H](C(=O)Nc1ccc(F)cc1)CC(=O)N2 ZINC000059816809 569352383 /nfs/dbraw/zinc/35/23/83/569352383.db2.gz JTBRACIVZACWGG-LALPHHSUSA-N 0 0 413.453 2.741 40 0 HFABRN CCOc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc(Cl)c1O ZINC000108225180 569353497 /nfs/dbraw/zinc/35/34/97/569353497.db2.gz RHPLPMKLCZXIQR-QPEQYQDCSA-N 0 0 420.805 2.917 40 0 HFABRN CN1C(=O)/C(=C/c2cn(CC(=O)NCc3ccco3)c3ccccc23)N(C)C1=S ZINC000111671834 569353725 /nfs/dbraw/zinc/35/37/25/569353725.db2.gz MFSFZCCXRSLZLK-ZDLGFXPLSA-N 0 0 408.483 2.580 40 0 HFABRN CCOC(=O)c1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccccc3C)CC2=O)cc1 ZINC000138945280 569354217 /nfs/dbraw/zinc/35/42/17/569354217.db2.gz LGLXBAZWACEHDZ-QGZVFWFLSA-N 0 0 424.453 2.707 40 0 HFABRN CC(C)NC(=O)c1sc2ncccc2c1[C@@H]1CN(C(=O)COC(C)C)CCO1 ZINC000019702682 569428718 /nfs/dbraw/zinc/42/87/18/569428718.db2.gz YCIIEFYZHBIPSW-HNNXBMFYSA-N 0 0 405.520 2.759 40 0 HFABRN Cc1nn(C)c(C)c1/C=C/C(=O)N1CCC[C@H]1c1nccnc1Nc1ccccn1 ZINC000585291916 571310214 /nfs/dbraw/zinc/31/02/14/571310214.db2.gz HAEOXNVKHHKAPQ-BBVFFXRHSA-N 0 0 403.490 3.342 40 0 HFABRN CC(C)(C)n1nnnc1[C@@H](c1ccccc1F)N1CCN(Cc2ccncc2)CC1 ZINC000020139743 571314585 /nfs/dbraw/zinc/31/45/85/571314585.db2.gz ZFJPBGVLYSZPGF-HXUWFJFHSA-N 0 0 409.513 2.869 40 0 HFABRN CC(C)(C)n1nnnc1[C@H](c1ccccc1F)N1CCN(Cc2ccncc2)CC1 ZINC000020139740 571314606 /nfs/dbraw/zinc/31/46/06/571314606.db2.gz ZFJPBGVLYSZPGF-FQEVSTJZSA-N 0 0 409.513 2.869 40 0 HFABRN CC(C)(C)CC(=O)N1CCN2[C@@H](C1)CN(C(=O)NCc1ccccc1)CC2(C)C ZINC000253408682 291216662 /nfs/dbraw/zinc/21/66/62/291216662.db2.gz YLZTXWRSJJJMRY-IBGZPJMESA-N 0 0 400.567 2.939 40 0 biogenic,in-vitro HFABRN COC(=O)[C@@H]1Cc2ncn(Cc3ccc(OC)cc3)c2CN1C(=O)C1CCCCC1 ZINC000015676425 291221154 /nfs/dbraw/zinc/22/11/54/291221154.db2.gz BGRKQZWOCUDLAU-FQEVSTJZSA-N 0 0 411.502 2.947 40 0 biogenic,in-vitro HFABRN COCc1cn([C@H]2CO[C@@H]3[C@H](OC(=O)Nc4ccc(C(C)(C)C)cc4)CO[C@H]23)nn1 ZINC000004260856 291222319 /nfs/dbraw/zinc/22/23/19/291222319.db2.gz RVIXYHZSDYELIE-WJFTUGDTSA-N 0 0 416.478 2.678 40 0 biogenic,in-vitro HFABRN COc1ccc(C(=O)Nc2ccc([C@@H](O)[C@H]3COCC(=O)N3CC(C)C)cc2)cc1 ZINC000067896626 291224854 /nfs/dbraw/zinc/22/48/54/291224854.db2.gz YEIBZLSRKHRZHN-IFMALSPDSA-N 0 0 412.486 2.864 40 0 biogenic,in-vitro HFABRN O=C(Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2Cc2ccccn2)cc1)c1ccccc1 ZINC000067896717 291228729 /nfs/dbraw/zinc/22/87/29/291228729.db2.gz ANWKFJDLLLXOOJ-FYYLOGMGSA-N 0 0 417.465 2.795 40 0 biogenic,in-vitro HFABRN O=C1O[C@@H]2[C@H]3[C@@H]([C@H]1C[C@H]2O)N(CC1CCCCC1)C(=S)N3Cc1ccccc1 ZINC000008295821 291229732 /nfs/dbraw/zinc/22/97/32/291229732.db2.gz WWUKEGGBBMLHGF-WAPOTWQKSA-N 0 0 400.544 2.713 40 0 biogenic,in-vitro HFABRN Cc1nc2ncnn2c(N2CCN(C(=O)c3ccco3)CC2)c1Cc1ccccc1 ZINC000004897962 132292179 /nfs/dbraw/zinc/29/21/79/132292179.db2.gz COCZYIQWWYDNDQ-UHFFFAOYSA-N 0 0 402.458 2.579 40 0 HFABRN Cc1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1N1CCCCS1(=O)=O ZINC000005135910 132302012 /nfs/dbraw/zinc/30/20/12/132302012.db2.gz ZPGJCPZZFXTNNS-UHFFFAOYSA-N 0 0 413.543 2.887 40 0 HFABRN C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)NCc2cccc(N3CCCCC3)c2)C1=O ZINC000019715270 132469253 /nfs/dbraw/zinc/46/92/53/132469253.db2.gz OAFZDXFVVZSEIF-DEOSSOPVSA-N 0 0 420.513 2.760 40 0 HFABRN COCC(=O)N1CCC[C@@H]1c1nc(C)c2c(n1)N(CC1CCCCC1)C(=O)CC2 ZINC000019740386 132469667 /nfs/dbraw/zinc/46/96/67/132469667.db2.gz WVKHKBLQUMGYAF-GOSISDBHSA-N 0 0 400.523 2.954 40 0 HFABRN CC(=O)N1CCC(C(=O)N2CCC[C@H](c3ccnc(Nc4ccc(C)cn4)n3)C2)CC1 ZINC000072378021 519499896 /nfs/dbraw/zinc/49/98/96/519499896.db2.gz LLFMRWMEZPZSHQ-IBGZPJMESA-N 0 0 422.533 2.888 40 0 HFABRN CC(=O)Nc1cccc(NC(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)c1 ZINC000019930732 519742033 /nfs/dbraw/zinc/74/20/33/519742033.db2.gz BFCOPLIPDMQWHI-UHFFFAOYSA-N 0 0 401.488 2.657 40 0 HFABRN CCN(Cc1ccco1)S(=O)(=O)c1nnc(NC(=O)c2cccc(C)c2)s1 ZINC000041085543 521400897 /nfs/dbraw/zinc/40/08/97/521400897.db2.gz AUYZPTPFMQMTDO-UHFFFAOYSA-N 0 0 406.489 2.903 40 0 HFABRN CCN(Cc1ccco1)S(=O)(=O)c1nnc(NC(=O)c2ccc(OC)cc2)s1 ZINC000041085548 521401788 /nfs/dbraw/zinc/40/17/88/521401788.db2.gz GQFGEISILOURTF-UHFFFAOYSA-N 0 0 422.488 2.603 40 0 HFABRN CCOc1ccccc1NC(=O)[C@H]1CC(=O)Nc2nc(Nc3ccccc3)[nH]c(=O)c21 ZINC000040399182 521547907 /nfs/dbraw/zinc/54/79/07/521547907.db2.gz IDABMMSXIDRHER-AWEZNQCLSA-N 0 0 419.441 2.977 40 0 HFABRN CCS(=O)(=O)N(CC(=O)N[C@@H](C)c1ccc(C)cc1)c1ccc2c(c1)OCCO2 ZINC000020494488 521659052 /nfs/dbraw/zinc/65/90/52/521659052.db2.gz RPUXKBOVGIYBLY-INIZCTEOSA-N 0 0 418.515 2.800 40 0 HFABRN CCSc1n[nH]c(-n2ccc3nc4nc(C)nn4c(-c4ccc(F)cc4)c3c2=O)n1 ZINC000040398581 521783429 /nfs/dbraw/zinc/78/34/29/521783429.db2.gz FMFURRBXWYROAO-UHFFFAOYSA-N 0 0 422.449 2.773 40 0 HFABRN CCc1nn2c(ncc3c2ccn(-n2c(C)nnc2C)c3=O)c1-c1ccc(F)cc1 ZINC000040396778 522711481 /nfs/dbraw/zinc/71/14/81/522711481.db2.gz UFQLJCDCHXGFQR-UHFFFAOYSA-N 0 0 403.421 2.932 40 0 HFABRN COCC(=O)N1CCCC[C@H]1c1ncc(C(=O)NCc2ccc(F)cc2)c(C)n1 ZINC000019765002 522739293 /nfs/dbraw/zinc/73/92/93/522739293.db2.gz YSDAKSSMUSQQAF-SFHVURJKSA-N 0 0 400.454 2.554 40 0 HFABRN CN(CCO)C(=O)c1cc([C@@H]2CCN(C(=O)Cc3ccccc3)C2)nc2ccccc21 ZINC000072356041 522876350 /nfs/dbraw/zinc/87/63/50/522876350.db2.gz SUWZNMHLRMVECS-LJQANCHMSA-N 0 0 417.509 2.858 40 0 HFABRN CC[C@H](Oc1cccc(C)c1)C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000019932922 522878116 /nfs/dbraw/zinc/87/81/16/522878116.db2.gz WQLZDTDEFSVJNZ-FQEVSTJZSA-N 0 0 402.516 2.992 40 0 HFABRN CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)N1CCN(Cc2ccccc2)CC1 ZINC000020141333 523131693 /nfs/dbraw/zinc/13/16/93/523131693.db2.gz QIQTYMZEKLONFB-QFIPXVFZSA-N 0 0 406.534 2.999 40 0 HFABRN COCc1nn2c(ncc3c2ccn(NC(=O)C(C)C)c3=O)c1-c1ccc(F)cc1 ZINC000040397198 523248469 /nfs/dbraw/zinc/24/84/69/523248469.db2.gz JQGKVNFJGIZIDC-UHFFFAOYSA-N 0 0 409.421 2.723 40 0 HFABRN CCn1c2ccc(S(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)cc2oc1=O ZINC000019936827 523270388 /nfs/dbraw/zinc/27/03/88/523270388.db2.gz VVFMIWLXNIQFCX-UHFFFAOYSA-N 0 0 421.906 2.779 40 0 HFABRN C[C@@H]1CCCC[C@@H]1NC(=O)Cn1c2ccccc2n2c(=O)n(Cc3ccncc3)nc12 ZINC000072347021 524135805 /nfs/dbraw/zinc/13/58/05/524135805.db2.gz IDAXKAADRZYPLS-AEFFLSMTSA-N 0 0 418.501 2.589 40 0 HFABRN COc1ccc(Nc2cc(-c3ccccn3)nc(NCCCO)n2)cc1C(F)(F)F ZINC000328985706 524450226 /nfs/dbraw/zinc/45/02/26/524450226.db2.gz HUIXTOLTMOPMAN-UHFFFAOYSA-N 0 0 419.407 2.948 40 0 HFABRN 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DNYJFKZVKUYWRZ-IBGZPJMESA-N 0 0 413.428 2.742 40 0 HFABRN CN(C(=O)CCc1nc2ccccc2oc1=O)c1nc2c(s1)CCc1c-2cnn1C ZINC000012146151 558337460 /nfs/dbraw/zinc/33/74/60/558337460.db2.gz OELZRIBHWQDQPR-UHFFFAOYSA-N 0 0 421.482 2.739 40 0 HFABRN COCCn1nnnc1[C@H](c1ccccc1F)N1CCN(c2ccccc2F)CC1 ZINC000020140335 558338887 /nfs/dbraw/zinc/33/88/87/558338887.db2.gz TWHFHMQTJQCUPA-FQEVSTJZSA-N 0 0 414.460 2.509 40 0 HFABRN CCOC(=O)[C@]1(Cc2ccccc2)N[C@@H](c2ccccc2F)[C@H]2C(=O)N(CC)C(=O)[C@H]21 ZINC000020150864 558340613 /nfs/dbraw/zinc/34/06/13/558340613.db2.gz ZJKRNAGZKRBGEB-AZXNSQLWSA-N 0 0 424.472 2.636 40 0 HFABRN COc1ccc2c(c1)O[C@@]1(C[C@H]3CC[C@@H]1C[C@@H]3C(=O)N1CCSCC1)NC2=O ZINC000012185250 558344757 /nfs/dbraw/zinc/34/47/57/558344757.db2.gz SETWOBGOGMDVIV-COESMTMPSA-N 0 0 402.516 2.525 40 0 HFABRN COc1ccc(CN(C)C(=O)CN(c2cc(C)ccc2C)S(=O)(=O)N(C)C)cc1 ZINC000020244970 558351200 /nfs/dbraw/zinc/35/12/00/558351200.db2.gz URPNHXBADALKKT-UHFFFAOYSA-N 0 0 419.547 2.583 40 0 HFABRN Cc1cccnc1[C@H](Cc1ccsc1)NC(=O)[C@H](C)N1C(=O)NC(C)(C)C1=O ZINC000012229593 558357611 /nfs/dbraw/zinc/35/76/11/558357611.db2.gz NHXJZKKMKRDWHY-ZFWWWQNUSA-N 0 0 400.504 2.570 40 0 HFABRN Cc1ccc(OCCCC(=O)N2CCc3c(nc(-c4cnccn4)[nH]c3=O)C2)c(C)c1 ZINC000012258315 558363149 /nfs/dbraw/zinc/36/31/49/558363149.db2.gz PORFFWRHPUWICD-UHFFFAOYSA-N 0 0 419.485 3.000 40 0 HFABRN CCS(=O)(=O)N1c2ccc(C(=O)Nc3ccc(NC(C)=O)cc3)cc2C[C@@H]1C ZINC000020449152 558364296 /nfs/dbraw/zinc/36/42/96/558364296.db2.gz NWKKFWFFNSTOHZ-ZDUSSCGKSA-N 0 0 401.488 2.998 40 0 HFABRN CS(=O)(=O)N1C[C@H](C(=O)NCCCc2ccccc2Cl)Oc2ccccc21 ZINC000020453703 558367721 /nfs/dbraw/zinc/36/77/21/558367721.db2.gz WCMACZKOEQDJQT-GOSISDBHSA-N 0 0 408.907 2.616 40 0 HFABRN CS(=O)(=O)N1C[C@H](C(=O)NC23CC4CC(CC(C4)C2)C3)Oc2ccc(Cl)cc21 ZINC000020455659 558369157 /nfs/dbraw/zinc/36/91/57/558369157.db2.gz SBNYKVMACSLIDY-TXTVKVCSSA-N 0 0 424.950 2.952 40 0 HFABRN Cc1ccc([C@@H](C)NC(=O)CN(c2ccccc2F)S(=O)(=O)N(C)C)c(C)c1 ZINC000020456670 558370041 /nfs/dbraw/zinc/37/00/41/558370041.db2.gz CWBMEXQJHGHBAP-MRXNPFEDSA-N 0 0 407.511 2.933 40 0 HFABRN COc1ccc([C@@H](C)NS(=O)(=O)c2ccc(OC)c(C(=O)N3CCCC3)c2)cc1 ZINC000020460696 558372824 /nfs/dbraw/zinc/37/28/24/558372824.db2.gz IKMAIPPXPKRETL-OAHLLOKOSA-N 0 0 418.515 2.979 40 0 HFABRN COCC(=O)N[C@H]1CC[C@]2(C)CC[C@H]([C@H](C)C(=O)NC3CCCC3)[C@H](O)[C@H]2[C@@H]1C ZINC000020466789 558373772 /nfs/dbraw/zinc/37/37/72/558373772.db2.gz TWHLXRJLKWGXNJ-YBUBUUPSSA-N 0 0 408.583 2.636 40 0 biogenic,in-vitro HFABRN CN(C)S(=O)(=O)N(CC(=O)N[C@H]1CCCc2ccccc21)c1ccccc1F ZINC000020488068 558377015 /nfs/dbraw/zinc/37/70/15/558377015.db2.gz KIPYNSAYDFVORY-SFHVURJKSA-N 0 0 405.495 2.632 40 0 HFABRN CCOc1ccccc1CNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1OC ZINC000020494800 558379931 /nfs/dbraw/zinc/37/99/31/558379931.db2.gz XWFYOYPSUDLOAO-UHFFFAOYSA-N 0 0 418.515 2.808 40 0 HFABRN C[C@H](Oc1ccc(F)cc1F)C(=O)N1CCC[C@@H](c2nn(C)c3nccnc23)C1 ZINC000012365172 558387644 /nfs/dbraw/zinc/38/76/44/558387644.db2.gz YPYZLRADMFIHPO-QWHCGFSZSA-N 0 0 401.417 2.815 40 0 HFABRN CCCn1c(-n2nc(C)cc2C)nc2c1c(=O)n(CCCc1ccccc1)c(=O)n2C ZINC000012516084 558424365 /nfs/dbraw/zinc/42/43/65/558424365.db2.gz LIEGFHMTYMDKPQ-UHFFFAOYSA-N 0 0 420.517 2.742 40 0 HFABRN NC(=[NH2+])NCCCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000022059635 558460521 /nfs/dbraw/zinc/46/05/21/558460521.db2.gz QRELIJBJYZHTQU-LJQANCHMSA-N 0 0 410.474 2.632 40 0 HFABRN CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)COc2ccc(F)cc2)cc1 ZINC000022227555 558467523 /nfs/dbraw/zinc/46/75/23/558467523.db2.gz MAMRUIRUOSESKC-UHFFFAOYSA-N 0 0 408.495 2.594 40 0 HFABRN COc1ccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2cc(OC)ccc2C)cc1 ZINC000022229907 558468849 /nfs/dbraw/zinc/46/88/49/558468849.db2.gz RWCPINNBVMYQPX-GOSISDBHSA-N 0 0 404.488 2.804 40 0 HFABRN CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCCCC2)cc1 ZINC000022247663 558472565 /nfs/dbraw/zinc/47/25/65/558472565.db2.gz LBUHRKYPBIHQPF-NRFANRHFSA-N 0 0 416.543 2.987 40 0 HFABRN CCS(=O)(=O)N(C)c1cc(OC)c(OC)cc1C(=O)NCc1ccc(F)cc1 ZINC000022253165 558474052 /nfs/dbraw/zinc/47/40/52/558474052.db2.gz AMQTXBPTKKAXHN-UHFFFAOYSA-N 0 0 410.467 2.559 40 0 HFABRN COc1cc(C(=O)NC(C)C)c(N(Cc2ccccc2)S(C)(=O)=O)cc1OC ZINC000022253215 558474069 /nfs/dbraw/zinc/47/40/69/558474069.db2.gz YILSODQTPOOZGA-UHFFFAOYSA-N 0 0 406.504 2.808 40 0 HFABRN COc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)N[C@H](C)c1ccc(F)cc1 ZINC000022272490 558475540 /nfs/dbraw/zinc/47/55/40/558475540.db2.gz YLHRIYDVCBKVRA-GFCCVEGCSA-N 0 0 414.886 2.986 40 0 HFABRN COc1ccc(CCCNC(=O)CN(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1 ZINC000022329123 558479264 /nfs/dbraw/zinc/47/92/64/558479264.db2.gz LMFLQCGDECGSHJ-UHFFFAOYSA-N 0 0 404.532 2.827 40 0 HFABRN COc1ccc(CCCNC(=O)CN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 ZINC000022329479 558479450 /nfs/dbraw/zinc/47/94/50/558479450.db2.gz ZYHNERIVRCPOPS-UHFFFAOYSA-N 0 0 404.532 2.827 40 0 HFABRN COc1cccc(CCCNC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)c1 ZINC000022330499 558479922 /nfs/dbraw/zinc/47/99/22/558479922.db2.gz LXQCIQNWGJIWPV-UHFFFAOYSA-N 0 0 410.923 2.864 40 0 HFABRN COc1cccc(N(CC(=O)N[C@H]2CC(C)(C)Oc3ccccc32)S(C)(=O)=O)c1 ZINC000022332204 558480257 /nfs/dbraw/zinc/48/02/57/558480257.db2.gz AWRQUWOPKOXYEX-SFHVURJKSA-N 0 0 418.515 2.880 40 0 HFABRN CCOc1ccccc1N(CC(=O)N[C@@H](C)COc1ccc(C)cc1)S(C)(=O)=O ZINC000022332975 558480501 /nfs/dbraw/zinc/48/05/01/558480501.db2.gz ZOFMSKYPFRDOHW-KRWDZBQOSA-N 0 0 420.531 2.743 40 0 HFABRN COc1ccc(OC)c(N(CC(=O)N[C@@H](C)c2ccc(C)c(C)c2)S(C)(=O)=O)c1 ZINC000022334071 558480877 /nfs/dbraw/zinc/48/08/77/558480877.db2.gz PAWRYYCEILLGSY-INIZCTEOSA-N 0 0 420.531 2.964 40 0 HFABRN COc1ccc(N(CC(=O)N[C@H](C)c2ccc(C)c(C)c2)S(C)(=O)=O)cc1OC ZINC000022334409 558480884 /nfs/dbraw/zinc/48/08/84/558480884.db2.gz LDENFVASLIHVML-MRXNPFEDSA-N 0 0 420.531 2.964 40 0 HFABRN Cc1ccc(OCCNC(=O)CN(c2ccc(Cl)cc2C)S(C)(=O)=O)cc1 ZINC000022336561 558481555 /nfs/dbraw/zinc/48/15/55/558481555.db2.gz AVJKALSPXKERFJ-UHFFFAOYSA-N 0 0 410.923 2.918 40 0 HFABRN Cc1ccccc1OC[C@H](C)NC(=O)CN(c1c(C)cccc1C)S(C)(=O)=O ZINC000022338660 558482124 /nfs/dbraw/zinc/48/21/24/558482124.db2.gz ULNSFLYYLNOLOH-SFHVURJKSA-N 0 0 404.532 2.962 40 0 HFABRN CCOc1cccc(N(CC(=O)Nc2cccc(C(=O)OC)c2C)S(C)(=O)=O)c1 ZINC000022392050 558486172 /nfs/dbraw/zinc/48/61/72/558486172.db2.gz DXTSRBGXHTZTMD-UHFFFAOYSA-N 0 0 420.487 2.585 40 0 HFABRN CCOc1cccc(N(CC(=O)N[C@H](C)c2ccc(OC)cc2)S(C)(=O)=O)c1 ZINC000022397388 558486766 /nfs/dbraw/zinc/48/67/66/558486766.db2.gz BBNOLNAXBJPRPM-OAHLLOKOSA-N 0 0 406.504 2.737 40 0 HFABRN CCc1cccc(C)c1NC(=O)c1ccc(CS(=O)(=O)N2CCOCC2)cc1 ZINC000022512798 558493114 /nfs/dbraw/zinc/49/31/14/558493114.db2.gz VNPIICWKCTVTQH-UHFFFAOYSA-N 0 0 402.516 2.972 40 0 HFABRN CC[C@@H](C(=O)N(C)Cc1ccc(OC)c(OC)c1)N(c1ccccc1)S(C)(=O)=O ZINC000022525190 558495447 /nfs/dbraw/zinc/49/54/47/558495447.db2.gz IZVGZXFFYPGYMH-SFHVURJKSA-N 0 0 420.531 2.907 40 0 HFABRN CCOc1ccc(N2C(=O)C[C@H](N3CCc4cc(OC)c(OC)cc4C3)C2=O)cc1 ZINC000022609198 558501163 /nfs/dbraw/zinc/50/11/63/558501163.db2.gz CEQLLWKRXYDBLR-IBGZPJMESA-N 0 0 410.470 2.793 40 0 HFABRN Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)c1 ZINC000022834198 558515775 /nfs/dbraw/zinc/51/57/75/558515775.db2.gz GLGYDAUWMGZUAT-HNNXBMFYSA-N 0 0 412.471 2.992 40 0 HFABRN Cc1ccc(O[C@@H](C)C(=O)N2CCc3nc(-c4cnccn4)[nH]c(=O)c3C2)c(C)c1 ZINC000013226945 558526671 /nfs/dbraw/zinc/52/66/71/558526671.db2.gz WUAYSKHGPGCGMU-HNNXBMFYSA-N 0 0 405.458 2.608 40 0 HFABRN COC(=O)c1c(C)c(C)sc1NC(=O)CSc1nnnn1-c1ccccc1F ZINC000013464750 558533038 /nfs/dbraw/zinc/53/30/38/558533038.db2.gz GHLMGIAAPATURC-UHFFFAOYSA-N 0 0 421.479 2.997 40 0 HFABRN COc1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cc(F)ccc3OC)C2)c1 ZINC000013580715 558544378 /nfs/dbraw/zinc/54/43/78/558544378.db2.gz LOEKCQLHWXSGLA-AWEZNQCLSA-N 0 0 422.478 2.882 40 0 HFABRN COc1ccc(C(=O)NCCC(C)C)cc1S(=O)(=O)NCCc1ccccc1 ZINC000013581930 558545114 /nfs/dbraw/zinc/54/51/14/558545114.db2.gz GVJMQGNPKZMZLP-UHFFFAOYSA-N 0 0 404.532 2.992 40 0 HFABRN CCOC(=O)c1ccc(NC(=O)c2cc(N(C)S(C)(=O)=O)ccc2OC)cc1 ZINC000013582909 558545565 /nfs/dbraw/zinc/54/55/65/558545565.db2.gz WROHDFQQSLDGIX-UHFFFAOYSA-N 0 0 406.460 2.520 40 0 HFABRN Cc1cc(=O)[nH]c(-n2nc3[nH]cc4c(c-3c2=O)C[C@@H](c2ccccc2C)CC4=O)n1 ZINC000013611317 558548516 /nfs/dbraw/zinc/54/85/16/558548516.db2.gz STURNQSZHNYKOF-CYBMUJFWSA-N 0 0 401.426 2.739 40 0 HFABRN Cc1nc(NC(=O)CN2CCN(c3ccc(Cl)cc3)CC2)nc2c1C(=O)CCC2 ZINC000013635933 558554343 /nfs/dbraw/zinc/55/43/43/558554343.db2.gz APQIHCLWPAMBTJ-UHFFFAOYSA-N 0 0 413.909 2.718 40 0 HFABRN COC(=O)C1CCN(C(=O)CCCN2c3cccc4cccc(c34)S2(=O)=O)CC1 ZINC000013667652 558560161 /nfs/dbraw/zinc/56/01/61/558560161.db2.gz HYFCVOFTEUKNTN-UHFFFAOYSA-N 0 0 416.499 2.540 40 0 HFABRN COCCCNC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1 ZINC000013679732 558566042 /nfs/dbraw/zinc/56/60/42/558566042.db2.gz WLDVGALVXJTCTJ-CYBMUJFWSA-N 0 0 423.362 2.688 40 0 HFABRN CC(C)CCNC(=O)[C@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1 ZINC000013682197 558567240 /nfs/dbraw/zinc/56/72/40/558567240.db2.gz AWDSCGNYLFQFPI-HXUWFJFHSA-N 0 0 402.516 2.946 40 0 HFABRN CC[C@H](C(=O)NCCc1ccc(OC)c(OC)c1)N(c1ccccc1)S(C)(=O)=O ZINC000013711214 558576079 /nfs/dbraw/zinc/57/60/79/558576079.db2.gz UQBLCLXKYHKQEH-GOSISDBHSA-N 0 0 420.531 2.607 40 0 HFABRN CC[C@@H](C(=O)Nc1cccc(NC(C)=O)c1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000013715882 558579022 /nfs/dbraw/zinc/57/90/22/558579022.db2.gz MUWGAJVQVZKBAT-SFHVURJKSA-N 0 0 407.467 2.967 40 0 HFABRN CC[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1)c1ccc(C)cc1 ZINC000024040815 558585991 /nfs/dbraw/zinc/58/59/91/558585991.db2.gz ZKJLXPABTBZTKK-OAQYLSRUSA-N 0 0 415.559 2.812 40 0 HFABRN COC(=O)c1cccc(S(=O)(=O)N2CCN(c3cc(Cl)ccc3C)CC2)c1 ZINC000024352375 558595770 /nfs/dbraw/zinc/59/57/70/558595770.db2.gz GUKQBMVFEFDHEM-UHFFFAOYSA-N 0 0 408.907 2.946 40 0 HFABRN CN(CCCC(=O)NCc1nc(-c2cccs2)no1)S(=O)(=O)c1ccccc1 ZINC000024577288 558601536 /nfs/dbraw/zinc/60/15/36/558601536.db2.gz IEGHUWYKHYIOTF-UHFFFAOYSA-N 0 0 420.516 2.515 40 0 HFABRN C[C@@H](CNS(=O)(=O)c1ccc(Cl)cc1)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000013985081 558610639 /nfs/dbraw/zinc/61/06/39/558610639.db2.gz GMKOVPKHCIRQHB-NSHDSACASA-N 0 0 423.343 2.639 40 0 HFABRN COc1ccc(CN(C)C(=O)c2ccc(OC)c(S(=O)(=O)N3CCCC3)c2)cc1 ZINC000014820086 558674097 /nfs/dbraw/zinc/67/40/97/558674097.db2.gz PGDMXNACQGSEOA-UHFFFAOYSA-N 0 0 418.515 2.761 40 0 HFABRN CCn1nc(C)c(CN2CCN(C(=O)c3cc(C)nc4c3c(C)nn4CC)CC2)c1C ZINC000036612055 558725000 /nfs/dbraw/zinc/72/50/00/558725000.db2.gz JYVWDLNZMVNITI-UHFFFAOYSA-N 0 0 423.565 2.859 40 0 HFABRN COc1ccc(S(=O)(=O)NCc2ccccc2CN2CCCC2=O)cc1Cl ZINC000030336466 558729024 /nfs/dbraw/zinc/72/90/24/558729024.db2.gz SBFDLQJVHDFYHT-UHFFFAOYSA-N 0 0 408.907 2.950 40 0 HFABRN CCS(=O)(=O)N1C[C@H](C(=O)N[C@@H]2CCCc3ccccc32)Oc2ccccc21 ZINC000030751924 558736090 /nfs/dbraw/zinc/73/60/90/558736090.db2.gz ZODCOYVASSQHPA-YLJYHZDGSA-N 0 0 400.500 2.798 40 0 HFABRN CCS(=O)(=O)N1C[C@@H](C(=O)NCc2ccc(OC(C)C)cc2)Oc2ccccc21 ZINC000030848623 558739514 /nfs/dbraw/zinc/73/95/14/558739514.db2.gz XPTKFFHKSPXIQZ-FQEVSTJZSA-N 0 0 418.515 2.707 40 0 HFABRN CC[C@H](NC(=O)[C@@H](C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O)c1ccccc1 ZINC000030853992 558740574 /nfs/dbraw/zinc/74/05/74/558740574.db2.gz STPJCSBILPDDBB-QAPCUYQASA-N 0 0 418.515 2.880 40 0 HFABRN Cc1ccc([C@H](C)NC(=O)c2ccc(CS(=O)(=O)N3CCOCC3)cc2)cc1 ZINC000030854443 558740860 /nfs/dbraw/zinc/74/08/60/558740860.db2.gz YFQWJQJCZGWZHV-KRWDZBQOSA-N 0 0 402.516 2.648 40 0 HFABRN C[C@H](NC(=O)c1ccc(CN2CCCC2=O)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000016109410 558772139 /nfs/dbraw/zinc/77/21/39/558772139.db2.gz GQTBXXOWMYJLFO-HNNXBMFYSA-N 0 0 400.500 2.704 40 0 HFABRN CN(CC(=O)Nc1ccc(F)cc1F)S(=O)(=O)c1ccc(Br)cc1 ZINC000016188325 558776740 /nfs/dbraw/zinc/77/67/40/558776740.db2.gz YDUPPXGVDNFCSZ-UHFFFAOYSA-N 0 0 419.247 2.987 40 0 HFABRN COc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](C)CCc2ccccc2)cc1C ZINC000016283020 558783456 /nfs/dbraw/zinc/78/34/56/558783456.db2.gz DYFRVNRTCWZIQE-QGZVFWFLSA-N 0 0 404.532 2.762 40 0 HFABRN COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)Nc2cc(Cl)ccc2C)c1 ZINC000016347362 558787367 /nfs/dbraw/zinc/78/73/67/558787367.db2.gz RGNUAKCROWDWLU-UHFFFAOYSA-N 0 0 412.895 2.925 40 0 HFABRN COc1ccc2nc(Cl)c(CN(CCN3CCOCC3)C(=O)C3CC3)cc2c1 ZINC000035314766 558790082 /nfs/dbraw/zinc/79/00/82/558790082.db2.gz DPWNGDFRUGMYQN-UHFFFAOYSA-N 0 0 403.910 2.968 40 0 HFABRN CN(CC(=O)Nc1ccc2c(c1)OCCCO2)Cc1ccccc1N1CCOCC1 ZINC000016424867 558790700 /nfs/dbraw/zinc/79/07/00/558790700.db2.gz HSZZWZIRORHEIE-UHFFFAOYSA-N 0 0 411.502 2.755 40 0 HFABRN CC[C@H](NC(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC)c1ccccc1 ZINC000038755346 558814426 /nfs/dbraw/zinc/81/44/26/558814426.db2.gz XCFXPNUGXAEIPG-SFHVURJKSA-N 0 0 418.515 2.881 40 0 HFABRN Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4[C@H](C)CCC[C@@H]4C)[nH]c(=O)c32)cc1 ZINC000038828364 558815782 /nfs/dbraw/zinc/81/57/82/558815782.db2.gz JMCYZXCSIDKDDH-LZWOXQAQSA-N 0 0 409.490 2.910 40 0 HFABRN Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)NCCSCc1ccccc1)O2 ZINC000038837126 558818147 /nfs/dbraw/zinc/81/81/47/558818147.db2.gz MFSPXTUEYBZECJ-IBGZPJMESA-N 0 0 420.556 2.572 40 0 HFABRN CC(=O)N1CC[C@H](c2nc(N(C)C)ncc2-c2ccnc(NC3CCOCC3)c2)C1 ZINC000019016439 558837146 /nfs/dbraw/zinc/83/71/46/558837146.db2.gz KJKVAFBKIZIUSJ-KRWDZBQOSA-N 0 0 410.522 2.531 40 0 HFABRN CC(=O)N1CC[C@@H](c2nc(N(C)C)ncc2-c2ccnc(NC3CCOCC3)c2)C1 ZINC000019016437 558837158 /nfs/dbraw/zinc/83/71/58/558837158.db2.gz KJKVAFBKIZIUSJ-QGZVFWFLSA-N 0 0 410.522 2.531 40 0 HFABRN C[C@@H](C(=O)N1CCC(Cc2nc(-c3ccsc3)cc(=O)[nH]2)CC1)N1CCCC1=O ZINC000019077875 558838513 /nfs/dbraw/zinc/83/85/13/558838513.db2.gz NXRAESPXAJQXDG-AWEZNQCLSA-N 0 0 414.531 2.703 40 0 HFABRN COc1ccc(OC)c([C@H]2CCCN2C(=O)[C@@H](C)Oc2ccc(-n3cnnn3)cc2)c1 ZINC000019078578 558838652 /nfs/dbraw/zinc/83/86/52/558838652.db2.gz KZCLUZUACRDRAK-FOIQADDNSA-N 0 0 423.473 2.811 40 0 HFABRN COc1ccc([C@H](c2ccccc2)N2CCN(C(=O)[C@H](C)N3CCOCC3)CC2)cc1 ZINC000019079051 558838846 /nfs/dbraw/zinc/83/88/46/558838846.db2.gz HTBTWWSIZPPCPF-RDPSFJRHSA-N 0 0 423.557 2.650 40 0 HFABRN COc1ccc(C(=O)N[C@H](Cc2cc(=O)n3nc(C)cc3[nH]2)c2ccccc2)cn1 ZINC000019130022 558845342 /nfs/dbraw/zinc/84/53/42/558845342.db2.gz BPZWIUCWSIBRIR-GOSISDBHSA-N 0 0 403.442 2.861 40 0 HFABRN Cc1nc(O)cc([C@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccc(C)n(C)c2=O)n1 ZINC000019131733 558845511 /nfs/dbraw/zinc/84/55/11/558845511.db2.gz MFAZKUWXPREQDT-IBGZPJMESA-N 0 0 417.469 2.693 40 0 HFABRN Cc1ccc(O[C@H](C)C(=O)N2CC[C@H](c3cc(=O)[nH]c(-c4ccncc4)n3)C2)cc1 ZINC000019210800 558848266 /nfs/dbraw/zinc/84/82/66/558848266.db2.gz AARNMGCETQATEY-AEFFLSMTSA-N 0 0 404.470 2.924 40 0 HFABRN Cc1ccc(O[C@@H](C)C(=O)N2CC[C@@H](c3cc(=O)[nH]c(-c4ccncc4)n3)C2)cc1 ZINC000019210798 558848297 /nfs/dbraw/zinc/84/82/97/558848297.db2.gz AARNMGCETQATEY-FUHWJXTLSA-N 0 0 404.470 2.924 40 0 HFABRN Cc1ccc(O[C@H](C)C(=O)N2CC[C@@H](c3cc(=O)[nH]c(-c4ccncc4)n3)C2)cc1 ZINC000019210795 558848372 /nfs/dbraw/zinc/84/83/72/558848372.db2.gz AARNMGCETQATEY-SJLPKXTDSA-N 0 0 404.470 2.924 40 0 HFABRN Cc1ccc(S(=O)(=O)N2CCO[C@H](c3nc(Cc4ccccc4F)no3)C2)cc1 ZINC000019211569 558848473 /nfs/dbraw/zinc/84/84/73/558848473.db2.gz QGWAXVQPHVQJME-SFHVURJKSA-N 0 0 417.462 2.870 40 0 HFABRN Cc1cccc(C(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[nH]2)CN(C(=O)C2CC2)CC3)c1 ZINC000019234418 558853734 /nfs/dbraw/zinc/85/37/34/558853734.db2.gz OWUNFBVEVDOXMO-HXUWFJFHSA-N 0 0 420.513 2.740 40 0 HFABRN Cc1cccc2c1[nH]c([C@@H]1CCCN(C(=O)Cn3cnnn3)C1)c2-c1ccncc1 ZINC000019236536 558855623 /nfs/dbraw/zinc/85/56/23/558855623.db2.gz ZLELOMZWCLKZOJ-QGZVFWFLSA-N 0 0 401.474 2.931 40 0 HFABRN Cc1cccc2c3c([nH]c21)CCN(C(=O)[C@H](C)N1C(=O)c2ccccc2S1(=O)=O)C3 ZINC000019236547 558855758 /nfs/dbraw/zinc/85/57/58/558855758.db2.gz GIEWVIHLPWNALP-AWEZNQCLSA-N 0 0 423.494 2.594 40 0 HFABRN Cc1ccccc1C1=NO[C@H](CC2(C(=O)N3CC[C@H](O)[C@H](C)C3)CCOCC2)C1 ZINC000019236940 558856272 /nfs/dbraw/zinc/85/62/72/558856272.db2.gz ITUQTDAALZWFSM-LQWHRVPQSA-N 0 0 400.519 2.904 40 0 HFABRN Cc1nc(C[C@H](NC(=O)Cn2nnc3ccccc32)c2ccc(Cl)cc2)cc(=O)[nH]1 ZINC000019285307 558859796 /nfs/dbraw/zinc/85/97/96/558859796.db2.gz CUHHFTGVOORGCF-SFHVURJKSA-N 0 0 422.876 2.577 40 0 HFABRN COCCN(C(=O)[C@H]1CCC[C@H](OC)C1)c1nc2c(s1)CCc1c-2cnn1C ZINC000019289586 558862155 /nfs/dbraw/zinc/86/21/55/558862155.db2.gz AHUWCCFWILIGBL-KBPBESRZSA-N 0 0 404.536 2.827 40 0 HFABRN Cn1cc(-c2ccnc(N3CCCC3)n2)c([C@@H]2CCCN(C(=O)[C@@H]3CCCCO3)C2)n1 ZINC000019290108 558862454 /nfs/dbraw/zinc/86/24/54/558862454.db2.gz BPVOBICEXPNYCX-XLIONFOSSA-N 0 0 424.549 2.752 40 0 HFABRN Cn1cc(CCNC(=O)[C@@H]2CC(=O)N(Cc3ccncc3)C2)c2cc(Cl)ccc21 ZINC000019290337 558862828 /nfs/dbraw/zinc/86/28/28/558862828.db2.gz IVBMKUKOMWKDAA-QGZVFWFLSA-N 0 0 410.905 2.934 40 0 HFABRN Cn1ccc(C(=O)N2CCC([C@H](NC(=O)c3cccc(F)c3)c3ccccn3)CC2)n1 ZINC000019290884 558863151 /nfs/dbraw/zinc/86/31/51/558863151.db2.gz URTNKNDVJVMNHO-NRFANRHFSA-N 0 0 421.476 2.978 40 0 HFABRN O=S(=O)(c1cccc(Cl)c1)N1CCC[C@H](c2nnc(-c3cnccn3)o2)C1 ZINC000019293473 558865318 /nfs/dbraw/zinc/86/53/18/558865318.db2.gz NVMDGWOMRVKAMF-LBPRGKRZSA-N 0 0 405.867 2.748 40 0 HFABRN NC(=O)[C@@]1(Cc2cccc(-c3cccc(F)c3)c2)CN(C(=O)c2cccnc2)CCO1 ZINC000019331368 558868356 /nfs/dbraw/zinc/86/83/56/558868356.db2.gz GBDKCBBSLVWHAS-XMMPIXPASA-N 0 0 419.456 2.827 40 0 HFABRN O=C(N[C@H](Cc1cc(=O)[nH]c(-c2ccncc2)n1)c1ccc(F)cc1)c1ccno1 ZINC000019332569 558868981 /nfs/dbraw/zinc/86/89/81/558868981.db2.gz XEJVQQUVQSKMQY-QGZVFWFLSA-N 0 0 405.389 2.673 40 0 HFABRN O=C([C@H]1CC=CCC1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(Cc1cccnc1)CC2 ZINC000019339297 558871016 /nfs/dbraw/zinc/87/10/16/558871016.db2.gz IQLXDQZMZBBSFA-GHTZIAJQSA-N 0 0 419.529 2.743 40 0 HFABRN O=C(C[C@H]1NC(=O)N(C2CCCCC2)C1=O)N[C@H](c1cccs1)c1ccncc1 ZINC000019342989 558872229 /nfs/dbraw/zinc/87/22/29/558872229.db2.gz KFBMMBJUJALGNH-APWZRJJASA-N 0 0 412.515 2.992 40 0 HFABRN O=C(COc1cccc2cccnc21)N1CCO[C@H](c2nc(-c3cccnc3)no2)C1 ZINC000019347329 558873775 /nfs/dbraw/zinc/87/37/75/558873775.db2.gz JYOSPMXVEBPPJD-SFHVURJKSA-N 0 0 417.425 2.659 40 0 HFABRN NC(=O)[C@@]1(Cc2cccc(-c3ccncc3)c2)CN(C(=O)Cc2ccccc2)CCO1 ZINC000019370273 558878415 /nfs/dbraw/zinc/87/84/15/558878415.db2.gz VTDLWNPJMKITPC-RUZDIDTESA-N 0 0 415.493 2.617 40 0 HFABRN O=C(CCS(=O)(=O)c1ccc(Cl)cc1)N1CCCN(c2ccccn2)CC1 ZINC000019402091 558883866 /nfs/dbraw/zinc/88/38/66/558883866.db2.gz KUCBNBVCJHFGSE-UHFFFAOYSA-N 0 0 407.923 2.638 40 0 HFABRN C[C@H](COc1ccccc1)NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000055730015 558884023 /nfs/dbraw/zinc/88/40/23/558884023.db2.gz IBFCABWDHMSYHJ-QGZVFWFLSA-N 0 0 402.516 2.671 40 0 HFABRN C[C@@H](COc1ccccc1)NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000055730013 558884098 /nfs/dbraw/zinc/88/40/98/558884098.db2.gz IBFCABWDHMSYHJ-KRWDZBQOSA-N 0 0 402.516 2.671 40 0 HFABRN COc1ccc(S(=O)(=O)N2CCC(C(=O)N(C)c3ccc(F)cc3)CC2)cc1 ZINC000055745462 558884249 /nfs/dbraw/zinc/88/42/49/558884249.db2.gz NCZQDWHMDMJXKE-UHFFFAOYSA-N 0 0 406.479 2.898 40 0 HFABRN C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CCC(Oc3ccc(F)cc3)CC1)C2=O ZINC000019496088 558894995 /nfs/dbraw/zinc/89/49/95/558894995.db2.gz GTDRYEKTHMEGGH-QRQCRPRQSA-N 0 0 417.481 2.696 40 0 HFABRN COc1ccc2sc(NC(=O)CN3C(=O)N[C@]4(CCCC[C@H]4C)C3=O)nc2c1 ZINC000019496143 558895218 /nfs/dbraw/zinc/89/52/18/558895218.db2.gz HATHEVZOUAUDHH-WYRIXSBYSA-N 0 0 402.476 2.744 40 0 HFABRN C[C@H]1CN(C(=O)c2c[nH]nc2C2CCN(C(=O)C3CCCCC3)CC2)C[C@H](C)O1 ZINC000019497285 558896233 /nfs/dbraw/zinc/89/62/33/558896233.db2.gz AMXWSYPLBQMEIU-HOTGVXAUSA-N 0 0 402.539 2.945 40 0 HFABRN CCC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](C)c3c(C)nn(CC)c3C)ccc21 ZINC000019499167 558897533 /nfs/dbraw/zinc/89/75/33/558897533.db2.gz RYTAMPMLYXTHSV-AWEZNQCLSA-N 0 0 404.536 2.858 40 0 HFABRN CCCNC(=O)c1sc2nc3n(c(=O)c2c1C)CCN(Cc1ccccc1)CC3 ZINC000019503652 558900486 /nfs/dbraw/zinc/90/04/86/558900486.db2.gz FRRFDIJWRUIECX-UHFFFAOYSA-N 0 0 410.543 2.965 40 0 HFABRN CC[C@H]1C[C@@H](C(F)(F)F)n2ncc(C(=O)N3CCN(CCOC(C)C)CC3)c2N1 ZINC000019520871 558902249 /nfs/dbraw/zinc/90/22/49/558902249.db2.gz GIGKEQBDWQLQIG-HOCLYGCPSA-N 0 0 417.476 2.764 40 0 HFABRN CCc1c(C)nc([C@H]2CCCN2C(=O)Cc2cc(OC)c(OC)c(OC)c2)[nH]c1=O ZINC000019521581 558902875 /nfs/dbraw/zinc/90/28/75/558902875.db2.gz VGLZJFZGUFOUCH-MRXNPFEDSA-N 0 0 415.490 2.573 40 0 HFABRN CCc1cc(C(F)(F)F)n2nc([C@@H]3CCN(C(=O)c4cnc(OC)nc4)C3)cc2n1 ZINC000019522393 558903709 /nfs/dbraw/zinc/90/37/09/558903709.db2.gz JQSIAEUOYHMYIY-LLVKDONJSA-N 0 0 420.395 2.739 40 0 HFABRN CCc1nccn1C[C@H](C)C(=O)N1CCN([C@@H](c2nccn2C)c2ccccc2)CC1 ZINC000019523562 558904712 /nfs/dbraw/zinc/90/47/12/558904712.db2.gz AABREMRLSFBYBA-SIKLNZKXSA-N 0 0 420.561 2.749 40 0 HFABRN CCn1nc(C)c([C@H](C)NS(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(C)=O)c1C ZINC000019523798 558905161 /nfs/dbraw/zinc/90/51/61/558905161.db2.gz RDLGXRUJPMZBLH-JSGCOSHPSA-N 0 0 404.536 2.857 40 0 HFABRN CCn1ncc(-c2cc(C(=O)N3CCN(Cc4csc(C)n4)CC3)no2)c1C ZINC000019524040 558905243 /nfs/dbraw/zinc/90/52/43/558905243.db2.gz AWITXXHSXKFHHI-UHFFFAOYSA-N 0 0 400.508 2.589 40 0 HFABRN CCOC(=O)c1cnn2c1N[C@H]([C@H]1CCCN(C(=O)C3CC3)C1)C[C@@H]2C(F)(F)F ZINC000019530897 558911595 /nfs/dbraw/zinc/91/15/95/558911595.db2.gz ZQTYLQZPXCHBCE-AEGPPILISA-N 0 0 414.428 2.996 40 0 HFABRN CCOc1ncccc1C(=O)N1CCC[C@H]2CN(C(=O)CC[C@H]3CCCO3)C[C@H]21 ZINC000019531483 558912254 /nfs/dbraw/zinc/91/22/54/558912254.db2.gz NRSFBIIPPBFSBM-YQVWRLOYSA-N 0 0 401.507 2.503 40 0 HFABRN CCOc1ccc(-n2nnc(C(=O)Nc3ccc4c(c3)NC(=O)[C@@H](C)O4)c2C)cc1 ZINC000019533649 558913308 /nfs/dbraw/zinc/91/33/08/558913308.db2.gz LZOJKJJQWSXIIB-CYBMUJFWSA-N 0 0 407.430 2.946 40 0 HFABRN COc1cc(CCC(=O)N2CCC[C@@H](c3nc(-c4cccs4)cc(=O)[nH]3)C2)on1 ZINC000019550434 558915180 /nfs/dbraw/zinc/91/51/80/558915180.db2.gz VKLKFSOOCUXANZ-CYBMUJFWSA-N 0 0 414.487 2.834 40 0 HFABRN CCC[NH+]1CCC2(CC1)OC[C@H](C(=O)[O-])N2C(=O)c1ccc(C(F)(F)F)cc1 ZINC000071980358 558917200 /nfs/dbraw/zinc/91/72/00/558917200.db2.gz HUWRCGBTSGZYAK-OAHLLOKOSA-N 0 0 400.397 2.833 40 0 HFABRN Cc1nn([C@H](C)CC(=O)N2CCC(c3noc(-c4ccc(=O)[nH]c4)n3)CC2)c(C)c1C ZINC000019556110 558918704 /nfs/dbraw/zinc/91/87/04/558918704.db2.gz DPRPZWBKWINZJZ-CYBMUJFWSA-N 0 0 424.505 2.904 40 0 HFABRN COc1ccc(-c2nnc3n2[C@@H]2CCCC[C@@H]2N(C(=O)c2cc[nH]n2)C3)cc1OC ZINC000019561675 558922436 /nfs/dbraw/zinc/92/24/36/558922436.db2.gz KUUPYGWLIHXVHR-JKSUJKDBSA-N 0 0 408.462 2.825 40 0 HFABRN COc1ccc(F)cc1S(=O)(=O)N1CCC(c2nnc3n2CCCCC3)CC1 ZINC000019561746 558922611 /nfs/dbraw/zinc/92/26/11/558922611.db2.gz UGIPKRARAKTTBG-UHFFFAOYSA-N 0 0 408.499 2.721 40 0 HFABRN COc1cccc(CC(=O)N2CCC(c3nc(-c4nccs4)cc(=O)[nH]3)CC2)c1 ZINC000019564128 558924323 /nfs/dbraw/zinc/92/43/23/558924323.db2.gz RXVJEVOSPASKGM-UHFFFAOYSA-N 0 0 410.499 2.851 40 0 HFABRN COc1cccc(CC(=O)N2CCC3(C[C@@]4(CO3)Nc3ccccc3C(=O)N4)CC2)c1 ZINC000019564159 558924329 /nfs/dbraw/zinc/92/43/29/558924329.db2.gz WUIKJUKKWPJKHB-XMMPIXPASA-N 0 0 421.497 2.571 40 0 HFABRN COc1cccc(OCCc2nnc(NC(=O)c3cc4c([nH]c3=O)CCC4)s2)c1 ZINC000019565982 558925796 /nfs/dbraw/zinc/92/57/96/558925796.db2.gz NRDGOTSXHNAURL-UHFFFAOYSA-N 0 0 412.471 2.598 40 0 HFABRN COc1cccc([C@H]2CN(C(=O)C3CC3)[C@@H]3CCN(C(=O)c4cccnc4)C[C@@H]32)c1 ZINC000019566284 558926044 /nfs/dbraw/zinc/92/60/44/558926044.db2.gz SMMTVPHFBSYYJH-YPAWHYETSA-N 0 0 405.498 2.957 40 0 HFABRN COc1ccccc1C(=O)NC1CCN(C(=O)CCn2ccc3ccncc32)CC1 ZINC000019568979 558928126 /nfs/dbraw/zinc/92/81/26/558928126.db2.gz VGEYDEIRJJTNJF-UHFFFAOYSA-N 0 0 406.486 2.856 40 0 HFABRN Cc1cc(=O)c2cc(C(=O)N3CCC[C@H]3Cn3nnc(-c4cccs4)n3)ccc2[nH]1 ZINC000019569379 558928276 /nfs/dbraw/zinc/92/82/76/558928276.db2.gz ICLKRLIZSFIARC-HNNXBMFYSA-N 0 0 420.498 2.856 40 0 HFABRN COc1ccccc1-c1ccc(C[C@@]2(C(N)=O)CCN(C(=O)[C@H]3CCCO3)C2)cc1 ZINC000019571597 558930133 /nfs/dbraw/zinc/93/01/33/558930133.db2.gz UZOXEUPTYBKKKC-QPPBQGQZSA-N 0 0 408.498 2.788 40 0 HFABRN COc1cccc([C@@H](NS(=O)(=O)c2ccc(OC)c(C)c2)c2nccn2C)c1 ZINC000019571448 558930136 /nfs/dbraw/zinc/93/01/36/558930136.db2.gz ICOYBDJCHPRXTC-LJQANCHMSA-N 0 0 401.488 2.814 40 0 HFABRN Cc1cc(C)n(CC(=O)N[C@H](Cc2ccccc2)c2ccc3c(c2)OCCO3)c(=O)n1 ZINC000019572359 558930526 /nfs/dbraw/zinc/93/05/26/558930526.db2.gz UEHPMOFLWKPCDJ-HXUWFJFHSA-N 0 0 419.481 2.732 40 0 HFABRN CS(=O)(=O)c1cnc(N2CCCC2)nc1C1CCN(C(=O)C[C@H]2C=CCC2)CC1 ZINC000019573737 558931640 /nfs/dbraw/zinc/93/16/40/558931640.db2.gz IQUOCAYARUDSOM-INIZCTEOSA-N 0 0 418.563 2.543 40 0 HFABRN Cc1cc(C)n(Cc2cc(C(=O)NC[C@H](C)N3CCOCC3)c3ccccc3n2)n1 ZINC000019574373 558931953 /nfs/dbraw/zinc/93/19/53/558931953.db2.gz RYNFMXSSLOCVDZ-SFHVURJKSA-N 0 0 407.518 2.547 40 0 HFABRN Cc1nn(C(F)F)c(C)c1S(=O)(=O)NCc1cccc(OC[C@@H]2CCCO2)c1 ZINC000019577629 558933542 /nfs/dbraw/zinc/93/35/42/558933542.db2.gz DWZPMNSEDXTJDA-INIZCTEOSA-N 0 0 415.462 2.931 40 0 HFABRN Cc1nn(C)c(C)c1CCC(=O)N[C@@H]1C[C@@]2(CCC(=O)N(C)CC2)Oc2ccccc21 ZINC000019577685 558933576 /nfs/dbraw/zinc/93/35/76/558933576.db2.gz GQKMOBDJVLPUFW-YKSBVNFPSA-N 0 0 424.545 2.991 40 0 HFABRN CN(C)c1cc(C2CCN(S(=O)(=O)c3cccnc3)CC2)nc(-c2cccnc2)n1 ZINC000019584483 558938500 /nfs/dbraw/zinc/93/85/00/558938500.db2.gz FTWLHMVTEWFCGK-UHFFFAOYSA-N 0 0 424.530 2.568 40 0 HFABRN CCn1ncc(S(=O)(=O)N2C[C@@H]3CCC[C@](O)(c4ccc(F)cc4)[C@@H]3C2)c1C ZINC000072340429 558939023 /nfs/dbraw/zinc/93/90/23/558939023.db2.gz QKUWQLOEPFNGJX-CVAIRZPRSA-N 0 0 407.511 2.659 40 0 HFABRN CNC(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)CN(Cc2ccccn2)CCO1 ZINC000019591919 558942596 /nfs/dbraw/zinc/94/25/96/558942596.db2.gz WTOJTIWMGURIKW-DEOSSOPVSA-N 0 0 402.498 2.703 40 0 HFABRN CO[C@@H]1CCC[C@H](C(=O)N2CCC(c3nc(-c4nccs4)cc(=O)[nH]3)CC2)C1 ZINC000019592601 558943488 /nfs/dbraw/zinc/94/34/88/558943488.db2.gz YPIGPVNHSOXMSG-LSDHHAIUSA-N 0 0 402.520 2.805 40 0 HFABRN C[C@@H]1CCCC[C@@H]1NC(=O)CN1c2c(cnn2-c2ccc(F)cc2)C2=NCCN2C1=O ZINC000072347770 558944963 /nfs/dbraw/zinc/94/49/63/558944963.db2.gz CYYQDAIBCICNTB-KDOFPFPSSA-N 0 0 424.480 2.709 40 0 HFABRN CN1CCN(c2cc(C(=O)Nc3nnc(CCc4ccccc4)s3)ccn2)CC1 ZINC000019654660 558948029 /nfs/dbraw/zinc/94/80/29/558948029.db2.gz KDPGNMSZMQKQLR-UHFFFAOYSA-N 0 0 408.531 2.722 40 0 HFABRN CN(C)C(=O)c1sc2ccccc2c1[C@@H]1CCN(S(=O)(=O)c2cnn(C)c2)C1 ZINC000072352341 558948610 /nfs/dbraw/zinc/94/86/10/558948610.db2.gz LLZDDOZVFFHVBK-CYBMUJFWSA-N 0 0 418.544 2.515 40 0 HFABRN CC(=O)NCC(=O)N1CCC[C@@H]1c1nc(N)ncc1-c1ccc(C(F)(F)F)cc1 ZINC000072354880 558952210 /nfs/dbraw/zinc/95/22/10/558952210.db2.gz DQKBLJBWWHSMNN-OAHLLOKOSA-N 0 0 407.396 2.544 40 0 HFABRN COc1ccc(N2C[C@H](C(=O)Nc3cccc(-n4cccn4)c3)CC2=O)c(OC)c1 ZINC000019661449 558952500 /nfs/dbraw/zinc/95/25/00/558952500.db2.gz OBVPZYPFBAUXCI-OAHLLOKOSA-N 0 0 406.442 2.881 40 0 HFABRN CC(=O)NC1CCN(C(=O)c2sc3ccccc3c2[C@@H]2CCN(C(C)=O)C2)CC1 ZINC000072356320 558953125 /nfs/dbraw/zinc/95/31/25/558953125.db2.gz IAOCJFPDZCZYCQ-MRXNPFEDSA-N 0 0 413.543 2.978 40 0 HFABRN Cn1ccc(-c2cc(C(=O)N3Cc4ccccc4C[C@H]3C(N)=O)c3ccccc3n2)n1 ZINC000019664616 558955023 /nfs/dbraw/zinc/95/50/23/558955023.db2.gz LLCZLAUPVVLVCQ-QFIPXVFZSA-N 0 0 411.465 2.688 40 0 HFABRN COc1cccc(-c2ccc(NC(=O)CCc3c(C)nc4[nH]cnn4c3=O)cc2)c1 ZINC000019666086 558956081 /nfs/dbraw/zinc/95/60/81/558956081.db2.gz KXKDEZXNRYQDPE-UHFFFAOYSA-N 0 0 403.442 2.973 40 0 HFABRN Cc1nonc1CC(=O)N1CCC[C@@H]1c1nc(N(C)C)ncc1-c1cccc(F)c1 ZINC000019689449 558958953 /nfs/dbraw/zinc/95/89/53/558958953.db2.gz ZIQXVOJTTYGWQN-GOSISDBHSA-N 0 0 410.453 2.946 40 0 HFABRN Cc1nc(C(F)(F)F)ccc1C(=O)N1CCN(C)C(=O)[C@H](Cc2ccccn2)C1 ZINC000019696888 558964711 /nfs/dbraw/zinc/96/47/11/558964711.db2.gz ZOCWKIVQWRKNFC-CQSZACIVSA-N 0 0 406.408 2.577 40 0 HFABRN CN(C)c1cc([C@H]2CC(=O)N(C)C2)nc(C2CCN(C(=O)CC3CCCC3)CC2)n1 ZINC000019697511 558965019 /nfs/dbraw/zinc/96/50/19/558965019.db2.gz XSWXNGXUNULZQZ-SFHVURJKSA-N 0 0 413.566 2.775 40 0 HFABRN CC(C)N1C[C@@H](c2cc(N(C)C)nc(CN(C)C(=O)CC3CCCC3)n2)CC1=O ZINC000019697405 558965104 /nfs/dbraw/zinc/96/51/04/558965104.db2.gz DDJWQJFOORTWSM-KRWDZBQOSA-N 0 0 401.555 2.806 40 0 HFABRN O=S(=O)(c1ccc(F)cc1)N1CCC[C@H]1c1cncc(Nc2ncccn2)n1 ZINC000072376283 558965422 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GSUGBIJZUGRDRG-SFHVURJKSA-N 0 0 418.501 2.592 40 0 HFABRN COCCC(=O)N1CCC(c2nc(C)c3c(n2)N(Cc2ccccn2)CCC3)CC1 ZINC000019705666 558968076 /nfs/dbraw/zinc/96/80/76/558968076.db2.gz IJMLNEJAJVCNOL-UHFFFAOYSA-N 0 0 409.534 2.875 40 0 HFABRN Cc1cccc(CCNC(=O)c2ccc([C@H]3CCCN(S(C)(=O)=O)C3)nc2)c1 ZINC000019706030 558968664 /nfs/dbraw/zinc/96/86/64/558968664.db2.gz OZMNFHALBOUMKF-IBGZPJMESA-N 0 0 401.532 2.502 40 0 HFABRN COCC(=O)N1CCC[C@H](c2nc(C)c3c(n2)N(CCc2ccccn2)CCC3)C1 ZINC000019706651 558968877 /nfs/dbraw/zinc/96/88/77/558968877.db2.gz DMHFIHDBURPIFT-SFHVURJKSA-N 0 0 409.534 2.528 40 0 HFABRN Cc1cc(Nc2cccc([C@H]3CCCN(S(=O)(=O)N4CCCCC4)C3)n2)n[nH]1 ZINC000072382289 558969009 /nfs/dbraw/zinc/96/90/09/558969009.db2.gz NUMBEULZQZLHHA-INIZCTEOSA-N 0 0 404.540 2.767 40 0 HFABRN CNC(=O)[C@]1(Cc2cccc(-c3ccccc3)c2)CN(C(=O)c2ccccn2)CCO1 ZINC000072389098 558969600 /nfs/dbraw/zinc/96/96/00/558969600.db2.gz FYHAOBAWEHJBAM-VWLOTQADSA-N 0 0 415.493 2.949 40 0 HFABRN 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558974628 /nfs/dbraw/zinc/97/46/28/558974628.db2.gz UNUFAARWXJGMDG-UHFFFAOYSA-N 0 0 412.465 2.592 40 0 HFABRN Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H]1C(=O)NCC(C)(C)c1ccccc1F ZINC000019714608 558974862 /nfs/dbraw/zinc/97/48/62/558974862.db2.gz ASUYOMQKADAODJ-QGZVFWFLSA-N 0 0 423.510 2.678 40 0 HFABRN O=C(NCc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cn2cc(Cl)ccc2n1 ZINC000019716864 558979077 /nfs/dbraw/zinc/97/90/77/558979077.db2.gz YMIVXWAXJFQVRM-UHFFFAOYSA-N 0 0 418.906 2.702 40 0 HFABRN CCN(CC)C(=O)c1cnc(C)nc1[C@H]1CC[C@H](CNC(=O)[C@@H]2CCCO2)CC1 ZINC000257251066 558994446 /nfs/dbraw/zinc/99/44/46/558994446.db2.gz JPGKYYDVAVOWBF-LNLFQRSKSA-N 0 0 402.539 2.836 40 0 HFABRN O=C(NC[C@H]1CC[C@H](C(=O)NCCN2CCc3ccccc32)CC1)c1ccncc1 ZINC000257290401 559007376 /nfs/dbraw/zinc/00/73/76/559007376.db2.gz QCVCCVOMVYRTKK-KESTWPANSA-N 0 0 406.530 2.797 40 0 HFABRN Cc1cc(-c2cnc(N(C)C)nc2[C@H]2CC[C@H](CNC(=O)[C@H]3CCOC3)CC2)on1 ZINC000257296045 559009102 /nfs/dbraw/zinc/00/91/02/559009102.db2.gz RAYXCQOANUMRBU-ULQDDVLXSA-N 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412.877 2.803 40 0 HFABRN CN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(C(=O)c1ccc3ccccc3n1)C2 ZINC000096237945 559103221 /nfs/dbraw/zinc/10/32/21/559103221.db2.gz WBRLNZQJXONNPB-XMMPIXPASA-N 0 0 418.472 2.937 40 0 HFABRN CN1CC(=O)N(c2cccc(F)c2)C[C@@]12CCN(C(=O)NCc1cccc(F)c1)C2 ZINC000096237974 559103285 /nfs/dbraw/zinc/10/32/85/559103285.db2.gz MXYQEXHZFZSSFN-QFIPXVFZSA-N 0 0 414.456 2.598 40 0 HFABRN CN1CC(=O)N(c2ccsc2)C[C@@]12CCN(C(=O)NCc1cccc(F)c1)C2 ZINC000096238170 559103289 /nfs/dbraw/zinc/10/32/89/559103289.db2.gz UQTCMCDFWGVPQR-FQEVSTJZSA-N 0 0 402.495 2.520 40 0 HFABRN CCS(=O)(=O)N1CCC2(CC1)C[C@@H](CC(=O)NCC(C)C)c1ccccc1O2 ZINC000096243344 559104718 /nfs/dbraw/zinc/10/47/18/559104718.db2.gz KCIRLSPSGBMVHF-QGZVFWFLSA-N 0 0 408.564 2.899 40 0 HFABRN Cc1ccc(CN2CCO[C@H]3CN(S(=O)(=O)c4ccc(C(C)C)cc4)C[C@H]32)o1 ZINC000096248802 559105178 /nfs/dbraw/zinc/10/51/78/559105178.db2.gz CCKNEDRTOXCVAO-RTWAWAEBSA-N 0 0 404.532 2.985 40 0 HFABRN COc1ccc(NC(=O)c2ccc3nnc([C@H]4CCN(C(=O)NC(C)C)C4)n3c2)cc1 ZINC000096267598 559108187 /nfs/dbraw/zinc/10/81/87/559108187.db2.gz VENJUABWBLXTCD-HNNXBMFYSA-N 0 0 422.489 2.898 40 0 HFABRN CCn1cc(C(=O)N2CC[C@H](Oc3ccc(Cl)cc3)[C@@H](CC(N)=O)C2)c(C)n1 ZINC000585268707 559114516 /nfs/dbraw/zinc/11/45/16/559114516.db2.gz JWPFABPDMKUFPM-KSSFIOAISA-N 0 0 404.898 2.650 40 0 HFABRN O=C(CN1CCC(O)(COc2cccc(Cl)c2)CC1)NCCOc1ccccc1 ZINC000585271850 559117853 /nfs/dbraw/zinc/11/78/53/559117853.db2.gz DNEPCHOTHAMIKB-UHFFFAOYSA-N 0 0 418.921 2.741 40 0 HFABRN O=C(c1ccnnc1)N1CCC[C@@H](c2ccc(-c3noc(C(F)(F)F)n3)cn2)C1 ZINC000585288836 559122341 /nfs/dbraw/zinc/12/23/41/559122341.db2.gz AAWQWGPDEIBEIG-CYBMUJFWSA-N 0 0 404.352 2.960 40 0 HFABRN Cc1cc(C)nc(Nc2cc([C@H]3CCN(C(=O)/C=C/c4cnn(C)c4)C3)nc(C)n2)n1 ZINC000585290789 559123408 /nfs/dbraw/zinc/12/34/08/559123408.db2.gz FQRJLVKMRATTLM-QWNKOJSDSA-N 0 0 418.505 2.698 40 0 HFABRN O=C(c1ccnnc1)N1CCC[C@H](c2ccnc(-c3noc(C(F)(F)F)n3)c2)C1 ZINC000585291029 559123577 /nfs/dbraw/zinc/12/35/77/559123577.db2.gz 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/nfs/dbraw/zinc/66/45/44/568664544.db2.gz PTYYROJDJLSTBS-UHFFFAOYSA-N 0 0 406.485 2.979 40 0 HFABRN CCCn1c2ccc(S(=O)(=O)NCc3ccc4c(c3)OCO4)cc2sc1=O ZINC000225726347 568668313 /nfs/dbraw/zinc/66/83/13/568668313.db2.gz NGAUVBPFHOVKQT-UHFFFAOYSA-N 0 0 406.485 2.680 40 0 HFABRN O=C(c1snnc1-c1cccs1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000225790005 568674843 /nfs/dbraw/zinc/67/48/43/568674843.db2.gz CORARDSXDMEVBK-UHFFFAOYSA-N 0 0 414.512 2.953 40 0 HFABRN Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)NC(C)(C)Cc1ccccc1)O2 ZINC000225813332 568676605 /nfs/dbraw/zinc/67/66/05/568676605.db2.gz CCHMVIXJHCSNKI-IBGZPJMESA-N 0 0 402.516 2.660 40 0 HFABRN CCNC(=S)Nc1nc(N2CCCC2)cc(N2CCN(c3ccccc3)CC2)n1 ZINC000225881664 568683167 /nfs/dbraw/zinc/68/31/67/568683167.db2.gz UYZNMAWKMMQMPX-UHFFFAOYSA-N 0 0 411.579 2.710 40 0 HFABRN Cc1nn(C)c(C)c1C(=O)N1C[C@H](C(=O)NCCc2ccccc2)Oc2ccccc21 ZINC000225884334 568683411 /nfs/dbraw/zinc/68/34/11/568683411.db2.gz PQESPHTXTCTGBA-OAQYLSRUSA-N 0 0 418.497 2.804 40 0 HFABRN CCOC(=O)Cc1ccc(NC(=O)CN(C)S(=O)(=O)c2cc(C)ccc2C)cc1 ZINC000225928383 568686581 /nfs/dbraw/zinc/68/65/81/568686581.db2.gz LNNMKOHTYJHAJV-UHFFFAOYSA-N 0 0 418.515 2.668 40 0 HFABRN CCN(CC(=O)Nc1cccc(NC(C)=O)c1)S(=O)(=O)c1cc(C)ccc1C ZINC000225935017 568687368 /nfs/dbraw/zinc/68/73/68/568687368.db2.gz MPFXCSQCFQONHU-UHFFFAOYSA-N 0 0 403.504 2.911 40 0 HFABRN CCOC(=O)c1ccc(NC(=O)C[C@H](NS(C)(=O)=O)c2ccc(F)cc2)cc1 ZINC000225946708 568688263 /nfs/dbraw/zinc/68/82/63/568688263.db2.gz HOISSSRCJKYZMK-KRWDZBQOSA-N 0 0 408.451 2.622 40 0 HFABRN CCOC(=O)c1ccc(NC(=O)C[C@@H](NS(C)(=O)=O)c2ccc(F)cc2)cc1 ZINC000225946691 568688295 /nfs/dbraw/zinc/68/82/95/568688295.db2.gz HOISSSRCJKYZMK-QGZVFWFLSA-N 0 0 408.451 2.622 40 0 HFABRN COc1cc(C(F)(F)F)nc(NC(=S)NCc2ccc3c(c2)OCCO3)n1 ZINC000226015763 568691300 /nfs/dbraw/zinc/69/13/00/568691300.db2.gz IGXYEGRKZGJUTO-UHFFFAOYSA-N 0 0 400.382 2.762 40 0 HFABRN CS(=O)(=O)N(CC(=O)N1CCc2cc(Br)ccc21)C1CCCCC1 ZINC000226040481 568691653 /nfs/dbraw/zinc/69/16/53/568691653.db2.gz NTBBQPUIGCVZSO-UHFFFAOYSA-N 0 0 415.353 2.933 40 0 HFABRN CCN(CC(=O)N1c2ccccc2C[C@@H]1C)S(=O)(=O)c1cc(C)ccc1OC ZINC000226055377 568692085 /nfs/dbraw/zinc/69/20/85/568692085.db2.gz JPDKJVPLEVJTQH-INIZCTEOSA-N 0 0 402.516 2.992 40 0 HFABRN CCOc1ccc(S(=O)(=O)N(C)CC(=O)N(C)c2ccc(OC)cc2)cc1C ZINC000226060512 568692466 /nfs/dbraw/zinc/69/24/66/568692466.db2.gz NBJCWTYYWSYYHJ-UHFFFAOYSA-N 0 0 406.504 2.686 40 0 HFABRN COc1ccc(N(C)C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)cc1 ZINC000226082330 568693439 /nfs/dbraw/zinc/69/34/39/568693439.db2.gz LVRPQXBLPJPMOF-OAHLLOKOSA-N 0 0 406.479 2.898 40 0 HFABRN CCS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(Cc3noc(C(C)C)n3)cc2)C1 ZINC000260718058 568736425 /nfs/dbraw/zinc/73/64/25/568736425.db2.gz QYASDWCSTUVUCE-INIZCTEOSA-N 0 0 420.535 2.784 40 0 HFABRN CCS(=O)(=O)N1CCC[C@H](C(=O)N2c3ccc(Br)cc3C[C@@H]2C)C1 ZINC000260743326 568737061 /nfs/dbraw/zinc/73/70/61/568737061.db2.gz OSHBWRJRGRNLKG-STQMWFEESA-N 0 0 415.353 2.788 40 0 HFABRN Cc1ccc(CN(CC(=O)N[C@H](C)COc2ccc(C)c(C)c2)S(C)(=O)=O)cc1 ZINC000260741006 568737337 /nfs/dbraw/zinc/73/73/37/568737337.db2.gz CMNDJZZEFDMFCQ-LJQANCHMSA-N 0 0 418.559 2.957 40 0 HFABRN Cc1cc(C)cc(N([C@H](C)C(=O)NCCOCc2ccccc2)S(C)(=O)=O)c1 ZINC000260793062 568739306 /nfs/dbraw/zinc/73/93/06/568739306.db2.gz JAUPRRMBUQHULT-GOSISDBHSA-N 0 0 404.532 2.791 40 0 HFABRN CCS(=O)(=O)N1C[C@H](C(=O)Nc2ccc(N3CCCC3)cc2)Oc2ccccc21 ZINC000260897517 568743055 /nfs/dbraw/zinc/74/30/55/568743055.db2.gz MRVNKUPOVGWYRG-HXUWFJFHSA-N 0 0 415.515 2.843 40 0 HFABRN COc1ccc(S(=O)(=O)N(CC(=O)N2CCCCC2)c2ccccc2)c(OC)c1 ZINC000027914343 568772090 /nfs/dbraw/zinc/77/20/90/568772090.db2.gz BSTCDFBTYOGSHH-UHFFFAOYSA-N 0 0 418.515 2.912 40 0 HFABRN CCn1ccc(NC(=O)C[C@@H]2CCCN(C(=O)c3ccnc(N4CCCC4)c3)C2)n1 ZINC000257201931 568776627 /nfs/dbraw/zinc/77/66/27/568776627.db2.gz AJRFVVMWSSAUAH-KRWDZBQOSA-N 0 0 410.522 2.779 40 0 HFABRN CNC(=O)[C@]1(c2ccccn2)CCCN(C(=O)C2(Cc3ccccc3)CCOCC2)C1 ZINC000257202515 568776752 /nfs/dbraw/zinc/77/67/52/568776752.db2.gz AMEMAJZVWFHCQY-RUZDIDTESA-N 0 0 421.541 2.727 40 0 HFABRN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2cncc(Nc3ncccn3)n2)cc1F ZINC000257210041 568779013 /nfs/dbraw/zinc/77/90/13/568779013.db2.gz BSWQGJWYBHKCBR-QGZVFWFLSA-N 0 0 414.466 2.984 40 0 HFABRN COc1cccc(-c2ccc(C[C@H]3C(=O)N(C)CCN3C(=O)[C@@H]3CCCO3)cc2)c1 ZINC000257215944 568780779 /nfs/dbraw/zinc/78/07/79/568780779.db2.gz CSJJFAXZGKMHFS-VXKWHMMOSA-N 0 0 408.498 2.753 40 0 HFABRN CC(C)(C)C(=O)N1CCC[C@@H](c2cncc(N3CC4(CCOCC4)OC3=O)n2)C1 ZINC000257218147 568781418 /nfs/dbraw/zinc/78/14/18/568781418.db2.gz DCAOKGOFHVHSFH-OAHLLOKOSA-N 0 0 402.495 2.735 40 0 HFABRN CNC(=O)c1cnn2c1nccc2[C@H]1CCCCN1C(=O)Cc1c[nH]c2ccccc12 ZINC000257227373 568784045 /nfs/dbraw/zinc/78/40/45/568784045.db2.gz FOYYZQLQKLPXTP-LJQANCHMSA-N 0 0 416.485 2.867 40 0 HFABRN CN1C(=O)C2(CCN(C(=O)Cc3cccc(F)c3)CC2)C[C@@H](O)[C@@H]1c1ccccc1 ZINC000257228375 568784523 /nfs/dbraw/zinc/78/45/23/568784523.db2.gz FTONSZUVROZXAS-IRLDBZIGSA-N 0 0 410.489 2.941 40 0 HFABRN COc1cc(Br)cc(C(=O)Nc2ccc(S(C)(=O)=O)cc2)c1O ZINC000257230471 568784964 /nfs/dbraw/zinc/78/49/64/568784964.db2.gz GCMWUINRMUOQJE-UHFFFAOYSA-N 0 0 400.250 2.819 40 0 HFABRN Nc1ncc(-c2ccc(F)cc2)c(C2CN(S(=O)(=O)c3ccc(F)cc3)C2)n1 ZINC000257238008 568787115 /nfs/dbraw/zinc/78/71/15/568787115.db2.gz HJESYCWZSIKRII-UHFFFAOYSA-N 0 0 402.426 2.792 40 0 HFABRN Cc1nonc1C(=O)N1CCO[C@@H](c2cccc(Cc3c(F)cccc3F)n2)C1 ZINC000257242491 568788316 /nfs/dbraw/zinc/78/83/16/568788316.db2.gz ICTZEDODDWMVRT-GOSISDBHSA-N 0 0 400.385 2.856 40 0 HFABRN COc1ccccc1Cc1cnc([C@@H]2CCCCN2C(=O)Cn2nc(C)ccc2=O)o1 ZINC000257254556 568791555 /nfs/dbraw/zinc/79/15/55/568791555.db2.gz KDPSMBYHKGRMOL-IBGZPJMESA-N 0 0 422.485 2.893 40 0 HFABRN O=C(CCCc1ccccn1)N1CCO[C@@H](c2ccc(Nc3ncccn3)cn2)C1 ZINC000257256468 568791933 /nfs/dbraw/zinc/79/19/33/568791933.db2.gz KLPVXJUZOXKQJZ-HXUWFJFHSA-N 0 0 404.474 2.933 40 0 HFABRN Cc1cc(C)n(CCNC(=O)[C@]2(C)CCCN(C(=O)c3ccc4[nH]c(C)nc4c3)C2)n1 ZINC000257256809 568792050 /nfs/dbraw/zinc/79/20/50/568792050.db2.gz KMZXYEZQZUFVBV-HSZRJFAPSA-N 0 0 422.533 2.743 40 0 HFABRN Cc1cc(-c2ccccc2)cc([C@@H]2CCCN(C(=O)CC[C@@H]3NC(=O)NC3=O)C2)n1 ZINC000257260908 568793064 /nfs/dbraw/zinc/79/30/64/568793064.db2.gz LEZINUBYACJUHE-MJGOQNOKSA-N 0 0 406.486 2.751 40 0 HFABRN Cc1n[nH]c(C)c1CNC(=O)[C@]1(C)CCCN(C(=O)c2n[nH]c3ccc(C)cc32)C1 ZINC000257264105 568793803 /nfs/dbraw/zinc/79/38/03/568793803.db2.gz LSZHYIJFSQHCSH-JOCHJYFZSA-N 0 0 408.506 2.770 40 0 HFABRN Cc1ncsc1C(=O)N[C@@H]1CC[C@@]2(CO)C[C@H](c3ccccc3)C[C@](C)(O2)[C@H]1O ZINC000257273138 568796478 /nfs/dbraw/zinc/79/64/78/568796478.db2.gz NFKDPQSCHNUQEA-AJYQEWAOSA-N 0 0 416.543 2.789 40 0 HFABRN COCCC(=O)N1CCO[C@@H](c2cc(CCOc3ccccc3Cl)n(C)n2)C1 ZINC000257273246 568796614 /nfs/dbraw/zinc/79/66/14/568796614.db2.gz NFVUKJTXIAXBJT-LJQANCHMSA-N 0 0 407.898 2.631 40 0 HFABRN Cn1cc(C(=O)N2CCC[C@@]3(C2)CCCCc2ccccc2OCC(=O)NC3)cn1 ZINC000257278074 568797946 /nfs/dbraw/zinc/79/79/46/568797946.db2.gz OARMNMBBXMGFKN-QHCPKHFHSA-N 0 0 410.518 2.564 40 0 HFABRN C[C@]12CCN(CC(=O)Nc3nncs3)[C@H]1CCCCC(=O)N2Cc1ccccc1 ZINC000257284489 568799762 /nfs/dbraw/zinc/79/97/62/568799762.db2.gz PCWYWWCLYZCIFO-UWJYYQICSA-N 0 0 413.547 2.912 40 0 HFABRN CC(C)OCC(=O)N1CC[C@@](Cc2cc(C3CCCCC3)no2)(C(=O)N(C)C)C1 ZINC000257285065 568800048 /nfs/dbraw/zinc/80/00/48/568800048.db2.gz PFLULCUYCWSKLW-QFIPXVFZSA-N 0 0 405.539 2.997 40 0 HFABRN CC1(C)[C@@H]2C[C@H]1[C@@]1(O)[C@@H](C2)Oc2c(ccc(O)c2C(=O)N2CCC(F)(F)CC2)[C@@H]1O ZINC000257291421 568801863 /nfs/dbraw/zinc/80/18/63/568801863.db2.gz QGWWAZXJVDRWQC-MOAWAHSFSA-N 0 0 423.456 2.855 40 0 HFABRN Cc1nn(C)cc1S(=O)(=O)N1CCC[C@@H]1c1ncc(Cc2ccc(F)cc2)o1 ZINC000257292500 568802220 /nfs/dbraw/zinc/80/22/20/568802220.db2.gz QLUOPBDBKSRQRH-QGZVFWFLSA-N 0 0 404.467 2.972 40 0 HFABRN CNC(=O)C1(Cc2cccc(-c3cncnc3)c2)CCN(C(=O)c2ccncc2)CC1 ZINC000257302241 568805036 /nfs/dbraw/zinc/80/50/36/568805036.db2.gz SCBYHKQGTCOWCG-UHFFFAOYSA-N 0 0 415.497 2.750 40 0 HFABRN Cc1noc(CCC(=O)N2CCO[C@H](c3cccc(Nc4ccc(F)cn4)n3)C2)n1 ZINC000257302847 568805190 /nfs/dbraw/zinc/80/51/90/568805190.db2.gz SERSOLZIARRIAD-INIZCTEOSA-N 0 0 412.425 2.583 40 0 HFABRN CCn1c(C)nc2cc(C(=O)N(C)C[C@]3(O)CCCN(c4cc(C)ncn4)C3)ccc21 ZINC000257303247 568805508 /nfs/dbraw/zinc/80/55/08/568805508.db2.gz SGJOFOVFSOGMKZ-HSZRJFAPSA-N 0 0 422.533 2.567 40 0 HFABRN CC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3N(C(=O)c1cccc(-c3cncnc3)n1)C2 ZINC000257304066 568805753 /nfs/dbraw/zinc/80/57/53/568805753.db2.gz SJYAEQARDNGZGE-XKPYVIEYSA-N 0 0 405.502 2.933 40 0 HFABRN CCOc1ccc(CN2CCO[C@@H](c3cccc(-c4cnc(N)nc4)n3)C2)cc1CO ZINC000257306290 568806300 /nfs/dbraw/zinc/80/63/00/568806300.db2.gz STRLLAFTPDWXHV-JOCHJYFZSA-N 0 0 421.501 2.585 40 0 HFABRN CCOc1cc(/C=C2\SC(=N)NC2=O)ccc1OS(=O)(=O)c1ccccc1 ZINC000002773101 568808012 /nfs/dbraw/zinc/80/80/12/568808012.db2.gz VBWYJMALOUUHSZ-WJDWOHSUSA-N 0 0 404.469 2.992 40 0 HFABRN CC(C)(C)OC(=O)N1[C@@H](CNC(=O)c2cncnc2)C[C@]2(C)[C@H]1CCCC[C@@H]2O ZINC000257314113 568808559 /nfs/dbraw/zinc/80/85/59/568808559.db2.gz UVJUTVWQRWYTBO-PZTGFMGMSA-N 0 0 404.511 2.526 40 0 HFABRN Cc1nc([C@@H]2CCCN(C(=O)COc3ccccc3)C2)nc(C)c1CC(=O)NC(C)C ZINC000257314019 568808645 /nfs/dbraw/zinc/80/86/45/568808645.db2.gz UVAYXFOMCHUNOH-LJQANCHMSA-N 0 0 424.545 2.946 40 0 HFABRN O=C(COc1ccc(F)cc1)N1CCNC(=O)[C@@H]1Cc1cccc(-c2cccnc2)c1 ZINC000257328527 568812619 /nfs/dbraw/zinc/81/26/19/568812619.db2.gz XGATVWCWPKMHGP-QFIPXVFZSA-N 0 0 419.456 2.836 40 0 HFABRN NC(=O)C[C@@]1(COc2ccc(F)cc2)CCCN(C(=O)COc2cccc(F)c2)C1 ZINC000257328697 568812772 /nfs/dbraw/zinc/81/27/72/568812772.db2.gz XGSRZWBGJUKTBM-QFIPXVFZSA-N 0 0 418.440 2.907 40 0 HFABRN COCC(=O)N1CCC[C@H](c2nc(C)c(CC(=O)Nc3ccccc3F)c(C)n2)C1 ZINC000257334120 568814293 /nfs/dbraw/zinc/81/42/93/568814293.db2.gz YEQKZCOCIZHPFI-INIZCTEOSA-N 0 0 414.481 2.766 40 0 HFABRN CCc1onc(C)c1-c1cccc([C@H]2CN(C(=O)c3cnn4cccnc34)CCO2)n1 ZINC000257337967 568815436 /nfs/dbraw/zinc/81/54/36/568815436.db2.gz YVGGTQGAMMZTDP-LJQANCHMSA-N 0 0 418.457 2.864 40 0 HFABRN CCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N(C(C)=O)[C@@H]2c1ccc2c(c1)OCO2 ZINC000261364456 568819527 /nfs/dbraw/zinc/81/95/27/568819527.db2.gz LQGDQIRPINTCBE-FQEVSTJZSA-O 0 0 423.474 2.891 40 0 HFABRN [NH3+]C[C@@]1(C(=O)[O-])[C@@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218646325 568886216 /nfs/dbraw/zinc/88/62/16/568886216.db2.gz VFWGYMVPDQXGEK-YQQAZPJKSA-N 0 0 400.283 2.963 40 0 HFABRN O=C(Nc1ccccc1)N[C@H]1c2ncnn2CC[C@@]12CCN(C(=O)c1ccco1)C2 ZINC000306123836 568887037 /nfs/dbraw/zinc/88/70/37/568887037.db2.gz AYDPNGQMTDTDRW-LAUBAEHRSA-N 0 0 406.446 2.670 40 0 HFABRN Cn1cc(CN2CCN(CC3CC3)[C@H](c3cn4c(cccc4N4CCCC4)n3)C2)cn1 ZINC000306125225 568887846 /nfs/dbraw/zinc/88/78/46/568887846.db2.gz CJVRHSREYFXHJK-QFIPXVFZSA-N 0 0 419.577 2.937 40 0 HFABRN COc1ccc(Cn2nccc2-c2nc(C(=O)N3CCCC3)c3cnccn32)cc1 ZINC000306126678 568889620 /nfs/dbraw/zinc/88/96/20/568889620.db2.gz FBTNHGWDVZIZSI-UHFFFAOYSA-N 0 0 402.458 2.886 40 0 HFABRN COc1ccc(NC(=O)c2nnc3n2C[C@@H]2CN(C(=O)c4ccsc4)C[C@@H]2C3)cc1 ZINC000306126983 568889643 /nfs/dbraw/zinc/88/96/43/568889643.db2.gz FKVRJIIXEGREEF-GJZGRUSLSA-N 0 0 423.498 2.545 40 0 HFABRN COc1ccc(-c2ccc3c([C@H]4CN(Cc5cccnc5)CCN4C)nnn3c2)cn1 ZINC000306128878 568891694 /nfs/dbraw/zinc/89/16/94/568891694.db2.gz HNKLWVUOYQKVAC-OAQYLSRUSA-N 0 0 415.501 2.684 40 0 HFABRN Cc1ccccc1CC(=O)N1CCC[C@@H](c2nc3ccc(N4CCOCC4)cn3n2)C1 ZINC000306129824 568892344 /nfs/dbraw/zinc/89/23/44/568892344.db2.gz IODCYOAUBZFMFC-HXUWFJFHSA-N 0 0 419.529 2.823 40 0 HFABRN Cc1cccc(C(=O)N2CCO[C@@H](c3nnn4cc(-c5ccncc5)ccc34)C2)n1 ZINC000306133198 568895381 /nfs/dbraw/zinc/89/53/81/568895381.db2.gz METODYLNKJXLRH-HXUWFJFHSA-N 0 0 400.442 2.708 40 0 HFABRN CC(=O)N1CCN(c2nnc(C)c3cc(C(=O)NCc4ccc(F)cc4)ccc32)CC1 ZINC000306133811 568895978 /nfs/dbraw/zinc/89/59/78/568895978.db2.gz MWVIRDCZJFLFEO-UHFFFAOYSA-N 0 0 421.476 2.676 40 0 HFABRN Cc1cccc(CN2CCC[C@@]3(CN(Cc4cncn4C)CC(F)(F)C3)C2=O)n1 ZINC000306134303 568896373 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524349499 /nfs/dbraw/zinc/34/94/99/524349499.db2.gz HDPFSSLHMWBXNX-FQEVSTJZSA-N 0 0 402.516 2.579 40 0 HFABRN COc1ccc(Nc2nc3c(c(=O)[nH]2)[C@@H](C(=O)Nc2ccccc2)CC(=O)N3)cc1 ZINC000040399795 524719689 /nfs/dbraw/zinc/71/96/89/524719689.db2.gz CHMSSAQVOUHPJA-HNNXBMFYSA-N 0 0 405.414 2.587 40 0 HFABRN COc1ccc(SCC(=O)Nc2ccccc2C(=O)N2CCOCC2)cc1OC ZINC000020450489 525102391 /nfs/dbraw/zinc/10/23/91/525102391.db2.gz ZTOMICYHCHHMJP-UHFFFAOYSA-N 0 0 416.499 2.907 40 0 HFABRN C[C@H](NS(=O)(=O)c1ccc(Br)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000015358909 525506940 /nfs/dbraw/zinc/50/69/40/525506940.db2.gz BGBWNUCXTXOQKP-NSHDSACASA-N 0 0 418.334 2.892 40 0 HFABRN Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)Oc3cccc(C)c3C)CC2)cc1 ZINC000032484288 525539239 /nfs/dbraw/zinc/53/92/39/525539239.db2.gz GAGVSASFYLVPPH-LJQANCHMSA-N 0 0 416.543 2.912 40 0 HFABRN COc1ccc2c(c1)O[C@]1(C[C@H]3CC[C@@H]1C[C@H]3C(=O)Nc1c(C)nn(C)c1C)NC2=O ZINC000072339269 525569534 /nfs/dbraw/zinc/56/95/34/525569534.db2.gz UFZJEDSAHODELU-WAAXPXDBSA-N 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Nc1nc(N2CCCC2)nc2c1[C@H](C(=O)Nc1cccc3ccccc31)CC(=O)N2 ZINC000020800091 527554901 /nfs/dbraw/zinc/55/49/01/527554901.db2.gz SSGNYLNADPGOOW-OAHLLOKOSA-N 0 0 402.458 2.877 40 0 HFABRN CCOc1ccccc1NC(=O)[C@@H]1CC(=O)Nc2nc(N3CCCCC3)nc(N)c21 ZINC000020635681 535534053 /nfs/dbraw/zinc/53/40/53/535534053.db2.gz TUZPHKLUPSRXCB-CYBMUJFWSA-N 0 0 410.478 2.512 40 0 HFABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3O)c(=O)n2[C@H]1c1ccccc1 ZINC000000861873 557104312 /nfs/dbraw/zinc/10/43/12/557104312.db2.gz UOFNIASNISBELO-LVSKKATPSA-N 0 0 420.490 2.504 40 0 HFABRN CNC(=O)Cc1nc2ccccc2n1CC(=O)Nc1ccc(Br)cc1 ZINC000000903256 557115095 /nfs/dbraw/zinc/11/50/95/557115095.db2.gz CTPGOGHXKLSFAR-UHFFFAOYSA-N 0 0 401.264 2.726 40 0 HFABRN C[C@H]1Cc2ccccc2N1C(=O)CSc1nnnn1-c1ccc2c(c1)OCCO2 ZINC000000932495 557120231 /nfs/dbraw/zinc/12/02/31/557120231.db2.gz ANPDPFTYZFBREO-ZDUSSCGKSA-N 0 0 409.471 2.503 40 0 aggregator HFABRN COC(=O)c1sc2ncn(CC(=O)Nc3ccc(F)c(Cl)c3)c(=O)c2c1C ZINC000000941412 557121685 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Cc1cc(S(=O)(=O)N2CCCCC2)ccc1OCC(=O)NCCc1ccccc1 ZINC000408559663 557457133 /nfs/dbraw/zinc/45/71/33/557457133.db2.gz ATGCADCJOKJCSY-UHFFFAOYSA-N 0 0 416.543 2.907 40 0 HFABRN COC(=O)c1ccc(NS(=O)(=O)c2ccc(NC(=O)N3CCCC3)cc2)cc1 ZINC000408561569 557459931 /nfs/dbraw/zinc/45/99/31/557459931.db2.gz JTZHBONUZQSJPH-UHFFFAOYSA-N 0 0 403.460 2.902 40 0 HFABRN COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@H](C)CCc2ccccc2)cc1OC ZINC000408585533 557489256 /nfs/dbraw/zinc/48/92/56/557489256.db2.gz ZGHYTZAKICRJBX-CVEARBPZSA-N 0 0 420.531 2.508 40 0 HFABRN C[C@@H](Oc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1)C(=O)N1CCOCC1 ZINC000408587365 557490552 /nfs/dbraw/zinc/49/05/52/557490552.db2.gz BPPGVDNXSFRRKN-CQSZACIVSA-N 0 0 424.906 2.767 40 0 HFABRN Cc1ccc(C)c(NS(=O)(=O)c2ccc(O[C@H](C)C(=O)N3CCOCC3)cc2)c1 ZINC000408589876 557499615 /nfs/dbraw/zinc/49/96/15/557499615.db2.gz FYAGYKFOWJKNJB-QGZVFWFLSA-N 0 0 418.515 2.730 40 0 HFABRN COC[C@@H](C)NS(=O)(=O)c1ccc(OC)c(NC(=O)c2cccc(Cl)c2)c1 ZINC000408590341 557499831 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ZINC000408610723 557534052 /nfs/dbraw/zinc/53/40/52/557534052.db2.gz VKPMPBCCAWPRDK-QGZVFWFLSA-N 0 0 416.543 2.843 40 0 HFABRN CS(=O)(=O)N(CC(=O)NCc1ccccc1)Cc1ccc(Br)cc1 ZINC000408610876 557534268 /nfs/dbraw/zinc/53/42/68/557534268.db2.gz OWFWPYSKIGIZSY-UHFFFAOYSA-N 0 0 411.321 2.527 40 0 HFABRN CCN(CC)S(=O)(=O)c1ccc(OCC(=O)Nc2ccc(OC)c(OC)c2)cc1 ZINC000408618407 557535235 /nfs/dbraw/zinc/53/52/35/557535235.db2.gz GENMQIDYEKFDMJ-UHFFFAOYSA-N 0 0 422.503 2.752 40 0 HFABRN CC(=O)c1cccc(N(CC(=O)NC23CC4CC(CC(C4)C2)C3)S(C)(=O)=O)c1 ZINC000408618457 557535296 /nfs/dbraw/zinc/53/52/96/557535296.db2.gz KLNVPEWAIWRALY-UHFFFAOYSA-N 0 0 404.532 2.740 40 0 HFABRN O=[S@@](CSc1nc(Br)ns1)c1nc(Br)ns1 ZINC000004290397 557536533 /nfs/dbraw/zinc/53/65/33/557536533.db2.gz PTECMLCNSZASLT-MRXNPFEDSA-N 0 0 422.174 2.772 40 0 HFABRN COC[C@@H](C)NC(=O)CN(Cc1cccc(C)c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000408622449 557548488 /nfs/dbraw/zinc/54/84/88/557548488.db2.gz QGEOTPAOOHESBF-MRXNPFEDSA-N 0 0 424.950 2.990 40 0 HFABRN COC[C@H](C)NC(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000408624772 557556062 /nfs/dbraw/zinc/55/60/62/557556062.db2.gz UIYSLLKPPYSOLO-HNNXBMFYSA-N 0 0 410.923 2.995 40 0 HFABRN COC[C@H](C)NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000408625065 557556535 /nfs/dbraw/zinc/55/65/35/557556535.db2.gz WRSBNPYUWPITFK-HNNXBMFYSA-N 0 0 410.923 2.682 40 0 HFABRN CC(=O)Nc1cccc(NC(=O)CN(c2ccc(F)c(Cl)c2)S(C)(=O)=O)c1 ZINC000408630249 557566796 /nfs/dbraw/zinc/56/67/96/557566796.db2.gz QKKRBOACEKUPNM-UHFFFAOYSA-N 0 0 413.858 2.842 40 0 HFABRN CCOC(=O)CS(=O)(=O)[C@H]1CCCC[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000004897544 557611013 /nfs/dbraw/zinc/61/10/13/557611013.db2.gz JPQIMYKTKWQQGQ-PBHICJAKSA-N 0 0 400.493 2.717 40 0 HFABRN COC(=O)c1ccc(NC(=O)COC(=O)c2ccc(NC(=O)C(F)(F)F)cc2)cc1 ZINC000408644184 557618168 /nfs/dbraw/zinc/61/81/68/557618168.db2.gz DXGSOZDCPJQUQP-UHFFFAOYSA-N 0 0 424.331 2.770 40 0 HFABRN CCOc1ccccc1N1C[C@@H](C(=O)Oc2ccc(N3C(=O)CCC3=O)cc2)CC1=O ZINC000408649763 557622316 /nfs/dbraw/zinc/62/23/16/557622316.db2.gz AGOYBELVVPUIOP-HNNXBMFYSA-N 0 0 422.437 2.697 40 0 HFABRN CCOc1ccccc1N1C[C@H](C(=O)Oc2ccc(N3C(=O)CCC3=O)cc2)CC1=O ZINC000408649765 557622369 /nfs/dbraw/zinc/62/23/69/557622369.db2.gz AGOYBELVVPUIOP-OAHLLOKOSA-N 0 0 422.437 2.697 40 0 HFABRN CCc1cc(Br)ccc1NC(=O)COC(=O)[C@@H]1[C@H]2C[C@H]3OC(=O)[C@@H]1[C@H]3C2 ZINC000408651696 557624940 /nfs/dbraw/zinc/62/49/40/557624940.db2.gz HELMGIINMZCXCE-GXXSHLNASA-N 0 0 422.275 2.691 40 0 HFABRN CNC(=O)[C@@H]1CC(=O)N(c2ccc(OCC(=O)Nc3cccc(Cl)c3C)cc2)C1 ZINC000005060531 557632564 /nfs/dbraw/zinc/63/25/64/557632564.db2.gz YXBKXEMBFSMHFL-CQSZACIVSA-N 0 0 415.877 2.765 40 0 HFABRN CCOC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(C3CCCCC3)C2)cc1 ZINC000408653070 557634229 /nfs/dbraw/zinc/63/42/29/557634229.db2.gz HOPZPNBDPLEYJY-MRXNPFEDSA-N 0 0 416.474 2.526 40 0 HFABRN CCc1ccccc1NC(=O)CSc1nnc(-c2ccc(OC)c(OC)c2)n1N ZINC000005257282 557642099 /nfs/dbraw/zinc/64/20/99/557642099.db2.gz VYWJDBHVCHJKHT-UHFFFAOYSA-N 0 0 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CC(C)n1c2ccc(S(=O)(=O)NCCCN(C)c3ccccc3)cc2oc1=O ZINC000012220629 558355684 /nfs/dbraw/zinc/35/56/84/558355684.db2.gz FIDPLFBVKPIVMF-UHFFFAOYSA-N 0 0 403.504 2.980 40 0 HFABRN COc1nn(CC(=O)N[C@H](Cc2ccsc2)c2ccccn2)c(=O)c2ccccc12 ZINC000012229301 558357522 /nfs/dbraw/zinc/35/75/22/558357522.db2.gz YABXYBVOTQVENG-LJQANCHMSA-N 0 0 420.494 2.962 40 0 HFABRN O=C1C[C@H](N2CCN(c3ccc(O)cc3)CC2)C(=O)N1c1ccc(F)c(Cl)c1 ZINC000020458079 558371024 /nfs/dbraw/zinc/37/10/24/558371024.db2.gz GACXALCRISFOOL-SFHVURJKSA-N 0 0 403.841 2.639 40 0 HFABRN Cc1nccn1-c1ccccc1CNC(=O)[C@@H](C)N(c1ccccc1)S(C)(=O)=O ZINC000020458643 558371458 /nfs/dbraw/zinc/37/14/58/558371458.db2.gz PATYTPXQBYZIJU-MRXNPFEDSA-N 0 0 412.515 2.652 40 0 HFABRN CC(C)NC(=O)[C@@H](C)[C@H]1CC[C@@]2(C)CC[C@H](NC(=O)c3cncnc3)[C@@H](C)[C@@H]2[C@H]1O ZINC000020467246 558373829 /nfs/dbraw/zinc/37/38/29/558373829.db2.gz AWDYXNBPRAPBDO-HKOCDWSSSA-N 0 0 416.566 2.559 40 0 biogenic,in-vitro HFABRN CCOc1ccc(N([C@@H](C)C(=O)NCc2ccccc2OCC)S(C)(=O)=O)cc1 ZINC000020495049 558380140 /nfs/dbraw/zinc/38/01/40/558380140.db2.gz XQBBYOAIXZHFJU-INIZCTEOSA-N 0 0 420.531 2.955 40 0 HFABRN CN(Cc1cc(=O)[nH]c2ccccc12)S(=O)(=O)c1ccc(N2CCCC2=O)cc1 ZINC000012362349 558387435 /nfs/dbraw/zinc/38/74/35/558387435.db2.gz QEUXNLAQPAOIPY-UHFFFAOYSA-N 0 0 411.483 2.888 40 0 HFABRN CC[C@H](Oc1ccccc1OC)C(=O)N1CCC[C@@H](c2nn(C)c3nccnc23)C1 ZINC000012365162 558387627 /nfs/dbraw/zinc/38/76/27/558387627.db2.gz LWYBINZDVQSQDU-CVEARBPZSA-N 0 0 409.490 2.936 40 0 HFABRN O=C(c1ccc2c(c1)OCO2)N1CCC[C@H](c2cc(C(F)F)n3ncnc3n2)C1 ZINC000012406837 558398277 /nfs/dbraw/zinc/39/82/77/558398277.db2.gz OQHXMOFOHIBHOC-LBPRGKRZSA-N 0 0 401.373 2.810 40 0 HFABRN CCOC(=O)[C@@H]1C([O-])=NC(N2CCc3ccccc3C2)=[NH+][C@@H]1c1ccccc1OCC ZINC000020801747 558415490 /nfs/dbraw/zinc/41/54/90/558415490.db2.gz UTNCZXYGWCPGBY-LEWJYISDSA-N 0 0 421.497 2.850 40 0 HFABRN CCOC(=O)[C@@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@@H]1c1ccccc1F ZINC000020802317 558415797 /nfs/dbraw/zinc/41/57/97/558415797.db2.gz KQIRBHXUMXXYCP-RBUKOAKNSA-N 0 0 411.433 2.937 40 0 HFABRN Cc1nnc(SCC(=O)N2CCC(c3noc(-c4ccncc4)n3)CC2)s1 ZINC000012669366 558445860 /nfs/dbraw/zinc/44/58/60/558445860.db2.gz FYSDKXOSPJODNQ-UHFFFAOYSA-N 0 0 402.505 2.790 40 0 HFABRN O=C(Cc1cccc(F)c1)NCCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000022227475 558467371 /nfs/dbraw/zinc/46/73/71/558467371.db2.gz JFPMUYBSDZMYBV-UHFFFAOYSA-N 0 0 404.507 2.902 40 0 HFABRN CN(c1ccc(OCC(=O)Nc2ccc(Br)cc2)cc1)S(C)(=O)=O ZINC000022230537 558469089 /nfs/dbraw/zinc/46/90/89/558469089.db2.gz SURRADCOONLEKN-UHFFFAOYSA-N 0 0 413.293 2.862 40 0 HFABRN CCNC(=O)c1cc(OC)c(OC)cc1N(Cc1ccccc1F)S(C)(=O)=O ZINC000022254258 558474011 /nfs/dbraw/zinc/47/40/11/558474011.db2.gz WNVXFQLXNKKVCY-UHFFFAOYSA-N 0 0 410.467 2.559 40 0 HFABRN CCOc1ccc(CNC(=O)CN(c2ccccc2)S(C)(=O)=O)cc1OCC ZINC000022326324 558478350 /nfs/dbraw/zinc/47/83/50/558478350.db2.gz ZYXVBQHLEABEJE-UHFFFAOYSA-N 0 0 406.504 2.566 40 0 HFABRN CC[C@@H](NC(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O)c1ccc(OC)cc1 ZINC000022332761 558480269 /nfs/dbraw/zinc/48/02/69/558480269.db2.gz MJIGVGSRDNGWIG-LJQANCHMSA-N 0 0 406.504 2.737 40 0 HFABRN COc1ccc(N(CC(=O)N[C@H]2CCCc3ccccc32)S(C)(=O)=O)cc1OC ZINC000022334389 558480844 /nfs/dbraw/zinc/48/08/44/558480844.db2.gz ZWELCQZFIBBPCJ-SFHVURJKSA-N 0 0 418.515 2.664 40 0 HFABRN CCc1ccc(N(CC(=O)N[C@@H](C)COc2ccc(C)cc2)S(C)(=O)=O)cc1 ZINC000022361724 558483285 /nfs/dbraw/zinc/48/32/85/558483285.db2.gz XGPIQPPXKYGDBH-KRWDZBQOSA-N 0 0 404.532 2.907 40 0 HFABRN CC[C@H](NC(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O)c1ccc(OC)cc1 ZINC000022366792 558483646 /nfs/dbraw/zinc/48/36/46/558483646.db2.gz OLGDRLADLMXZJU-FQEVSTJZSA-N 0 0 418.515 2.931 40 0 HFABRN CC(C)Oc1cccc(CNC(=O)CN(c2ccc(F)c(F)c2)S(C)(=O)=O)c1 ZINC000022373008 558484092 /nfs/dbraw/zinc/48/40/92/558484092.db2.gz NCMFQOXXCGERHT-UHFFFAOYSA-N 0 0 412.458 2.834 40 0 HFABRN CCOc1cccc(N(CC(=O)N[C@@H](C)c2ccc(OC)cc2)S(C)(=O)=O)c1 ZINC000022397385 558486782 /nfs/dbraw/zinc/48/67/82/558486782.db2.gz BBNOLNAXBJPRPM-HNNXBMFYSA-N 0 0 406.504 2.737 40 0 HFABRN CCOc1cccc(N(CC(=O)N[C@@H](C)CCc2ccccc2)S(C)(=O)=O)c1 ZINC000022399996 558487112 /nfs/dbraw/zinc/48/71/12/558487112.db2.gz PDWSMJSVVDWAFT-KRWDZBQOSA-N 0 0 404.532 2.989 40 0 HFABRN CS(=O)(=O)N(CC(=O)Nc1ccc(N2CCCC2=O)cc1)c1ccc(Cl)cc1 ZINC000022517124 558494180 /nfs/dbraw/zinc/49/41/80/558494180.db2.gz AAJOGUDROZFBGT-UHFFFAOYSA-N 0 0 421.906 2.872 40 0 HFABRN CN(C)S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(Br)c(Cl)c2)C1 ZINC000022521517 558494811 /nfs/dbraw/zinc/49/48/11/558494811.db2.gz LXBMLGFPOHMKCW-SNVBAGLBSA-N 0 0 424.748 2.559 40 0 HFABRN CCNC(=O)c1cc(S(=O)(=O)N[C@@H](C)c2ccc(OCC)cc2)ccc1OC ZINC000022522805 558494975 /nfs/dbraw/zinc/49/49/75/558494975.db2.gz YDWXPPWNHVHHIY-AWEZNQCLSA-N 0 0 406.504 2.883 40 0 HFABRN COc1ccc(CCCNC(=O)c2ccc(CS(=O)(=O)N3CCCC3)cc2)cc1 ZINC000022526993 558496114 /nfs/dbraw/zinc/49/61/14/558496114.db2.gz AGYPSJNFKKVIMU-UHFFFAOYSA-N 0 0 416.543 2.983 40 0 HFABRN COc1cc(C(=O)N[C@@H](C)c2ccc(F)cc2)c(N(C)S(C)(=O)=O)cc1OC ZINC000022606217 558500556 /nfs/dbraw/zinc/50/05/56/558500556.db2.gz DHMGBEUTURIEFG-LBPRGKRZSA-N 0 0 410.467 2.730 40 0 HFABRN Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCC(C)CC4)[nH]c(=O)c32)c(F)c1 ZINC000022610252 558501641 /nfs/dbraw/zinc/50/16/41/558501641.db2.gz KGMDFPBHARERSA-CYBMUJFWSA-N 0 0 413.453 2.518 40 0 HFABRN Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCC(C)CC4)[nH]c(=O)c32)c(C)c1 ZINC000022610372 558501643 /nfs/dbraw/zinc/50/16/43/558501643.db2.gz HKEOMYVRPOXAMF-HNNXBMFYSA-N 0 0 409.490 2.688 40 0 HFABRN CCOc1ccc(CNC(=O)[C@@H](C)N(c2ccc(OCC)cc2)S(C)(=O)=O)cc1 ZINC000013668656 558560516 /nfs/dbraw/zinc/56/05/16/558560516.db2.gz FUFJCBFZTLERKN-MRXNPFEDSA-N 0 0 420.531 2.955 40 0 HFABRN CCOc1cccc(NC(=O)[C@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)c1 ZINC000013670646 558562187 /nfs/dbraw/zinc/56/21/87/558562187.db2.gz MSNHQDMQNTUELA-AWEZNQCLSA-N 0 0 420.487 2.650 40 0 HFABRN CC(C)OCCCNC(=O)C1CCN(S(=O)(=O)CCCc2ccccc2)CC1 ZINC000013677764 558564947 /nfs/dbraw/zinc/56/49/47/558564947.db2.gz VXHGRBYPBMPAOG-UHFFFAOYSA-N 0 0 410.580 2.592 40 0 HFABRN Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2C(=O)NC(C)(C)C)cc1 ZINC000013685150 558569127 /nfs/dbraw/zinc/56/91/27/558569127.db2.gz GGNFTMTXAQBRRJ-UHFFFAOYSA-N 0 0 417.531 2.783 40 0 HFABRN CC[C@@H](C(=O)NCc1ccc2c(c1)OCO2)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013712569 558576834 /nfs/dbraw/zinc/57/68/34/558576834.db2.gz JBTSRYSOCUYUTI-INIZCTEOSA-N 0 0 424.906 2.930 40 0 HFABRN CC[C@H](C(=O)NCc1ccc2c(c1)OCO2)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000013713657 558577604 /nfs/dbraw/zinc/57/76/04/558577604.db2.gz VMZGDQFQIZVRNV-QGZVFWFLSA-N 0 0 404.488 2.585 40 0 HFABRN CC(C)NC(=O)c1ccccc1NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000027242328 558671319 /nfs/dbraw/zinc/67/13/19/558671319.db2.gz NXTJOJJWJWASSS-UHFFFAOYSA-N 0 0 415.515 2.862 40 0 HFABRN O=C(CCN1C(=O)c2ccccc2S1(=O)=O)NCc1ccc(Cl)cc1Cl ZINC000028644627 558703089 /nfs/dbraw/zinc/70/30/89/558703089.db2.gz INFZDJISGJCMKS-UHFFFAOYSA-N 0 0 413.282 2.844 40 0 HFABRN COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(N3CCCC3)cc2)cc1 ZINC000029370588 558714193 /nfs/dbraw/zinc/71/41/93/558714193.db2.gz NKYMWDYKZYMORL-UHFFFAOYSA-N 0 0 403.504 2.555 40 0 HFABRN CC[C@H](Oc1cccc(C)c1)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000030752352 558736294 /nfs/dbraw/zinc/73/62/94/558736294.db2.gz QLZRDQXGDQARTJ-FQEVSTJZSA-N 0 0 402.516 2.686 40 0 HFABRN CC[C@@H](NC(=O)[C@H](C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O)c1ccccc1 ZINC000030853997 558740579 /nfs/dbraw/zinc/74/05/79/558740579.db2.gz STPJCSBILPDDBB-MAUKXSAKSA-N 0 0 418.515 2.880 40 0 HFABRN COc1ccc([C@@H](C)NC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1 ZINC000030873762 558743797 /nfs/dbraw/zinc/74/37/97/558743797.db2.gz DTEYPWDFYFTKFV-XIKOKIGWSA-N 0 0 424.906 2.753 40 0 HFABRN Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)N[C@@H](C)CCc1ccccc1)O2 ZINC000030943914 558746197 /nfs/dbraw/zinc/74/61/97/558746197.db2.gz ARGDDKYETSYYAJ-JXFKEZNVSA-N 0 0 402.516 2.660 40 0 HFABRN Cc1ccc(C)c([C@H](C)NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c1 ZINC000015693573 558749242 /nfs/dbraw/zinc/74/92/42/558749242.db2.gz KBLJRWNNSNAGGI-KRWDZBQOSA-N 0 0 402.516 2.815 40 0 HFABRN Cc1ccc(C(=O)NC[C@@H](C)c2ccccc2)cc1S(=O)(=O)N1CCOCC1 ZINC000015745067 558751370 /nfs/dbraw/zinc/75/13/70/558751370.db2.gz CKZRIGGJJYJFGX-QGZVFWFLSA-N 0 0 402.516 2.549 40 0 HFABRN Cc1ccc(Cl)cc1NC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1 ZINC000015992276 558765497 /nfs/dbraw/zinc/76/54/97/558765497.db2.gz GRXHRPBVDHYVEN-UHFFFAOYSA-N 0 0 407.923 2.837 40 0 HFABRN CCc1nnc(-c2ccc(OC)c(NC(=O)Cn3ncc4ccccc4c3=O)c2)o1 ZINC000036752307 558802848 /nfs/dbraw/zinc/80/28/48/558802848.db2.gz PMNROFWYMRYBNR-UHFFFAOYSA-N 0 0 405.414 2.656 40 0 HFABRN CC(=O)Nc1cccc(NS(=O)(=O)c2ccc(O[C@H](C)C(=O)NC(C)C)cc2)c1 ZINC000038556534 558813222 /nfs/dbraw/zinc/81/32/22/558813222.db2.gz CZLYTELHLBEUNL-CQSZACIVSA-N 0 0 419.503 2.738 40 0 HFABRN COc1ccc([C@@H](C)NC(=O)CN(c2cc(C)ccc2C)S(C)(=O)=O)cc1OC ZINC000038755940 558814702 /nfs/dbraw/zinc/81/47/02/558814702.db2.gz ZTLKIHUAARZBCT-MRXNPFEDSA-N 0 0 420.531 2.964 40 0 HFABRN CCS(=O)(=O)N(CC(=O)N[C@@H]1CCCc2ccccc21)c1ccc2c(c1)OCO2 ZINC000038771920 558815185 /nfs/dbraw/zinc/81/51/85/558815185.db2.gz WDTKMOHLQODOPZ-GOSISDBHSA-N 0 0 416.499 2.765 40 0 HFABRN O=S(=O)(Cc1ccc(F)cc1)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1 ZINC000038772752 558815475 /nfs/dbraw/zinc/81/54/75/558815475.db2.gz FPJUFWUYBOQDAE-UHFFFAOYSA-N 0 0 421.475 2.963 40 0 HFABRN Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4[C@H](C)CCC[C@@H]4C)[nH]c(=O)c32)cc1 ZINC000038828362 558815748 /nfs/dbraw/zinc/81/57/48/558815748.db2.gz JMCYZXCSIDKDDH-IJEWVQPXSA-N 0 0 409.490 2.910 40 0 HFABRN Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)NCCSCc1ccccc1)O2 ZINC000038837123 558818118 /nfs/dbraw/zinc/81/81/18/558818118.db2.gz MFSPXTUEYBZECJ-LJQANCHMSA-N 0 0 420.556 2.572 40 0 HFABRN CCN(CC(=O)Nc1cccc(NC(C)=O)c1)S(=O)(=O)c1cc(C)ccc1OC ZINC000039985911 558823706 /nfs/dbraw/zinc/82/37/06/558823706.db2.gz WDFYRTJGJWOYCP-UHFFFAOYSA-N 0 0 419.503 2.611 40 0 HFABRN O=C(NCCCc1ccccc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000017298542 558826594 /nfs/dbraw/zinc/82/65/94/558826594.db2.gz AKMGDBKKSFHYPO-GOSISDBHSA-N 0 0 404.507 2.975 40 0 HFABRN O=C(NCCCn1ccnc1)c1nc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1 ZINC000013230236 558827077 /nfs/dbraw/zinc/82/70/77/558827077.db2.gz YUWJUYUYKUNBSK-UHFFFAOYSA-N 0 0 415.379 2.827 40 0 HFABRN Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2nnc(-c3ccccc3)s2)cc1 ZINC000018702627 558836140 /nfs/dbraw/zinc/83/61/40/558836140.db2.gz OQXRQPLOOFXUIU-UHFFFAOYSA-N 0 0 402.501 2.773 40 0 HFABRN COc1ccc(OC)c(CC(=O)N2CCC[C@H]([C@@H](NC(C)=O)c3ccccn3)C2)c1 ZINC000019020192 558837730 /nfs/dbraw/zinc/83/77/30/558837730.db2.gz XRRHBAVSMYVWMM-GAJHUEQPSA-N 0 0 411.502 2.757 40 0 HFABRN COc1ccc(OC)c(CC(=O)N2CCC[C@@H]([C@H](NC(C)=O)c3ccccn3)C2)c1 ZINC000019020194 558837781 /nfs/dbraw/zinc/83/77/81/558837781.db2.gz XRRHBAVSMYVWMM-HXOBKFHXSA-N 0 0 411.502 2.757 40 0 HFABRN CC(=O)N[C@H](c1nccs1)[C@@H]1CCCN(C(=O)Cc2ccc3c(c2)OCCO3)C1 ZINC000019020866 558837809 /nfs/dbraw/zinc/83/78/09/558837809.db2.gz 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COc1ccccc1OCCc1cc([C@H]2CCN(C(=O)Cc3ccccn3)C2)[nH]n1 ZINC000072371340 558957880 /nfs/dbraw/zinc/95/78/80/558957880.db2.gz JWKMPTKUFASMIA-KRWDZBQOSA-N 0 0 406.486 2.993 40 0 HFABRN CC(=O)NCC(=O)N1CCC[C@H]1c1nc(C)c2c(n1)N(CCc1ccccc1)CCC2 ZINC000072372934 558960518 /nfs/dbraw/zinc/96/05/18/558960518.db2.gz XAMPBCMAXOOUBM-NRFANRHFSA-N 0 0 421.545 2.580 40 0 HFABRN Cc1nonc1CC(=O)N1CCC[C@H](c2nc(N(C)C)ncc2-c2ccc(F)cc2)C1 ZINC000019693893 558961797 /nfs/dbraw/zinc/96/17/97/558961797.db2.gz ONSVWBYFWVXZIB-INIZCTEOSA-N 0 0 424.480 2.989 40 0 HFABRN CS(=O)(=O)[C@@](Br)(I)C(=O)c1cccc(F)c1 ZINC000096518524 558963331 /nfs/dbraw/zinc/96/33/31/558963331.db2.gz GRFBDELOQFYEHD-VIFPVBQESA-N 0 0 421.025 2.537 40 0 HFABRN COc1ccc(CNC(=O)[C@@H]2CN(C(=O)c3ccc(F)cc3)Cc3cn(C)nc32)cc1 ZINC000019696302 558964527 /nfs/dbraw/zinc/96/45/27/558964527.db2.gz VNRAIIOOOQXEHW-HXUWFJFHSA-N 0 0 422.460 2.624 40 0 HFABRN COc1cccc(OCCN(C)Cc2nc(C)c3c(n2)N(CC2CC2)C(=O)CC3)c1 ZINC000019698068 558965719 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ZINC000065700486 558980684 /nfs/dbraw/zinc/98/06/84/558980684.db2.gz WYSGBVSANHRHJL-LJQANCHMSA-N 0 0 416.543 2.899 40 0 HFABRN Cc1c(C(=O)NCc2ccc(CN3CCCC3=O)cc2)nnn1-c1ccccc1C ZINC000019718130 558981287 /nfs/dbraw/zinc/98/12/87/558981287.db2.gz LJBMGFVKWQORMF-UHFFFAOYSA-N 0 0 403.486 2.937 40 0 HFABRN Cc1ccc(C(=O)NC[C@H]2CC[C@H](c3nnc(-c4ccncc4)o3)CC2)c(=O)n1C ZINC000257227041 558991342 /nfs/dbraw/zinc/99/13/42/558991342.db2.gz FNJLZNGFVZZDRJ-WKILWMFISA-N 0 0 407.474 2.843 40 0 HFABRN Cn1cc(C(=O)N2Cc3ccnn3[C@@H](CC(=O)N3CCCCO3)C2)c2ccccc21 ZINC000585095892 559023331 /nfs/dbraw/zinc/02/33/31/559023331.db2.gz SLDVGVWSUZDHSO-KRWDZBQOSA-N 0 0 407.474 2.516 40 0 HFABRN O=C(NCc1cccs1)[C@H]1CN(C(=O)c2cc3ccccc3[nH]2)Cc2cncn21 ZINC000585096206 559023498 /nfs/dbraw/zinc/02/34/98/559023498.db2.gz YBOXTOIJEQPKCR-LJQANCHMSA-N 0 0 405.483 2.939 40 0 HFABRN CN(C)C(=O)CCC(=O)N1CCC[C@]12CCCN(c1ncnc3ccsc31)CC2 ZINC000585100588 559024177 /nfs/dbraw/zinc/02/41/77/559024177.db2.gz 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Cc1ccc(-c2cnc3n2CCN(C)C32CCN(S(=O)(=O)C3CC3)CC2)cc1 ZINC000096037094 559090934 /nfs/dbraw/zinc/09/09/34/559090934.db2.gz VWZKSJYDJYBNCT-UHFFFAOYSA-N 0 0 400.548 2.587 40 0 HFABRN CC(C)NC(=O)C[C@H]1CC2(CCN(C(=O)c3ccnnc3)CC2)Oc2ccccc21 ZINC000096053342 559093181 /nfs/dbraw/zinc/09/31/81/559093181.db2.gz ARNIEVWRFYCHOY-SFHVURJKSA-N 0 0 408.502 2.932 40 0 HFABRN O=C(NCC1CC1)[C@@]12CN(c3ccccn3)C[C@@H]1CN(C(=O)C1CCCC1)CCC2 ZINC000096056160 559094073 /nfs/dbraw/zinc/09/40/73/559094073.db2.gz OADAIWWXSNOWRL-RDPSFJRHSA-N 0 0 410.562 2.843 40 0 HFABRN Cc1ccc(S(=O)(=O)N2CCc3nc(N4CCCC4)nc(C)c3CC2)cc1F ZINC000096083867 559094955 /nfs/dbraw/zinc/09/49/55/559094955.db2.gz RFBXRTOMYFKIQK-UHFFFAOYSA-N 0 0 404.511 2.622 40 0 HFABRN CNC(=O)[C@@]12CCC3(CCN(C(=O)c4cccc(Cl)c4)CC3)[C@@H]1CN(C(C)=O)C2 ZINC000096143759 559096122 /nfs/dbraw/zinc/09/61/22/559096122.db2.gz BFJVCSZJRPZBDV-PGRDOPGGSA-N 0 0 417.937 2.567 40 0 HFABRN COc1ccc(CN2C[C@@]3(CO[C@@H](C(=O)N4CCOCC4)C3)c3ccccc32)cc1 ZINC000096144532 559096655 /nfs/dbraw/zinc/09/66/55/559096655.db2.gz KBELXZNZWVQXJF-VWNXMTODSA-N 0 0 408.498 2.601 40 0 HFABRN O=C(NCCc1cccc(F)c1)c1c2ccccn2c2ncnc(N3CCOCC3)c21 ZINC000096146715 559098018 /nfs/dbraw/zinc/09/80/18/559098018.db2.gz SFSQXWWQKJWUDQ-UHFFFAOYSA-N 0 0 419.460 2.831 40 0 HFABRN Cc1nc2nnc3ccc(C(=O)N4CCN(C)CC4)cc3c2n1Cc1ccccc1 ZINC000096146599 559098024 /nfs/dbraw/zinc/09/80/24/559098024.db2.gz IEZZCQNSLXUABF-UHFFFAOYSA-N 0 0 400.486 2.724 40 0 HFABRN CN1CC(=O)N(c2cccc(F)c2)C[C@@]12CCN(C(=O)Nc1cccc(F)c1)C2 ZINC000096237964 559103204 /nfs/dbraw/zinc/10/32/04/559103204.db2.gz NTLZSYYTFBAVLU-NRFANRHFSA-N 0 0 400.429 2.920 40 0 HFABRN COc1ccc(NC(=O)N2CC[C@@]3(C2)CN(c2ccsc2)C(=O)CN3C)cc1 ZINC000096238175 559103404 /nfs/dbraw/zinc/10/34/04/559103404.db2.gz BNUGJHYBZSIELH-HXUWFJFHSA-N 0 0 400.504 2.712 40 0 HFABRN O=C(C[C@@H]1CC2(CCN(C(=O)N3CCOCC3)CC2)c2ccccc21)N1CCCC1 ZINC000096242121 559103777 /nfs/dbraw/zinc/10/37/77/559103777.db2.gz JORJSTUNPWFWDE-LJQANCHMSA-N 0 0 411.546 2.972 40 0 HFABRN COc1ccc(C(=O)N2CCC[C@]3(C(=O)N(C)C)CN(c4ccccn4)C[C@@H]3C2)cc1 ZINC000096251259 559105287 /nfs/dbraw/zinc/10/52/87/559105287.db2.gz MEOCQXBDFIICLA-CYFREDJKSA-N 0 0 422.529 2.537 40 0 HFABRN CN1C[C@]2(CC1=O)CN(C(=O)Nc1ccccc1)CCN(C(=O)c1ccccc1)C2 ZINC000096262089 559106244 /nfs/dbraw/zinc/10/62/44/559106244.db2.gz HXENJIBZPUGYLS-QHCPKHFHSA-N 0 0 406.486 2.525 40 0 HFABRN CC(C)n1cnc2c1[C@H](C(=O)NCCc1cccnc1)N(Cc1cccnc1)CC2 ZINC000096265043 559107568 /nfs/dbraw/zinc/10/75/68/559107568.db2.gz ZWUMPEVSMOZGDV-JOCHJYFZSA-N 0 0 404.518 2.712 40 0 HFABRN C[C@@H]1CCCN(C(=O)c2ncn3c2CN(CC2CC2)S(=O)(=O)c2ccccc2-3)C1 ZINC000096266212 559107661 /nfs/dbraw/zinc/10/76/61/559107661.db2.gz QTDFUDGJNUXGHS-OAHLLOKOSA-N 0 0 414.531 2.659 40 0 HFABRN CC(C)n1nccc1CN1CCO[C@](COc2cccc(Cl)c2)(CC(N)=O)C1 ZINC000585271960 559116978 /nfs/dbraw/zinc/11/69/78/559116978.db2.gz ITQJHPMTTWJGEI-HXUWFJFHSA-N 0 0 406.914 2.643 40 0 HFABRN Cc1ccccc1CC(=O)N1CCO[C@](COc2ccc(Cl)cc2)(CC(N)=O)C1 ZINC000585284038 559120877 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COc1ccc(NC(=O)CN(Cc2ccccc2Cl)S(C)(=O)=O)cc1OC ZINC000223284704 568544101 /nfs/dbraw/zinc/54/41/01/568544101.db2.gz ZBICWWCENLVMRD-UHFFFAOYSA-N 0 0 412.895 2.758 40 0 HFABRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1-n1cnnc1 ZINC000223300354 568544483 /nfs/dbraw/zinc/54/44/83/568544483.db2.gz PHUCTYNCJASIMD-DBVUQKKJSA-N 0 0 423.546 2.554 40 0 HFABRN CC[C@@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)COc1ccccc1OC ZINC000223372463 568546763 /nfs/dbraw/zinc/54/67/63/568546763.db2.gz RODOBHKFEISINL-SFHVURJKSA-N 0 0 400.475 2.636 40 0 HFABRN CC[C@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)COc1ccccc1OC ZINC000223417508 568548245 /nfs/dbraw/zinc/54/82/45/568548245.db2.gz HAFFDKMFGRWLDD-GOSISDBHSA-N 0 0 400.475 2.636 40 0 HFABRN COC(=O)c1ccc(N2CCOCC2)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 ZINC000223416509 568548258 /nfs/dbraw/zinc/54/82/58/568548258.db2.gz UWEQUEHNIHGQNE-UHFFFAOYSA-N 0 0 410.879 2.764 40 0 HFABRN CS(=O)(=O)N(CC(=O)NCCOc1cccc2ccccc21)c1ccccc1F ZINC000223519268 568550908 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2.598 40 0 HFABRN CS(=O)(=O)N(CC(=O)NCCc1ccc(F)cc1)c1cccc(C(F)(F)F)c1 ZINC000223661666 568555354 /nfs/dbraw/zinc/55/53/54/568555354.db2.gz NYDOLNWUGRYEFR-UHFFFAOYSA-N 0 0 418.412 2.969 40 0 HFABRN CCOc1ccc(N([C@@H](C)C(=O)NCCc2ccc(F)cc2)S(C)(=O)=O)cc1 ZINC000223707528 568556816 /nfs/dbraw/zinc/55/68/16/568556816.db2.gz IEBJXJVJBZQGQL-HNNXBMFYSA-N 0 0 408.495 2.738 40 0 HFABRN CS(=O)(=O)N(CCCC(=O)NCCCOC1CCCC1)c1ccc(F)c(F)c1 ZINC000223715384 568557203 /nfs/dbraw/zinc/55/72/03/568557203.db2.gz KCHDIRYWSYVURN-UHFFFAOYSA-N 0 0 418.506 2.977 40 0 HFABRN COc1ccc(S(=O)(=O)N(C)Cc2nc(-c3ccc(C)cc3)no2)cc1OC ZINC000223763970 568558420 /nfs/dbraw/zinc/55/84/20/568558420.db2.gz GERBVRNFRPZQQZ-UHFFFAOYSA-N 0 0 403.460 2.883 40 0 HFABRN CCNC(=O)c1cc(S(=O)(=O)Nc2cc(C(=O)OCC)ccc2C)ccc1OC ZINC000223785038 568558979 /nfs/dbraw/zinc/55/89/79/568558979.db2.gz SPZLFCMFSIPWCN-UHFFFAOYSA-N 0 0 420.487 2.731 40 0 HFABRN CC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc(C)c(N4CCCC4=O)c3)ccc21 ZINC000223845707 568560680 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CS(=O)(=O)N(CC(=O)NCCOc1ccc(Cl)cc1)c1ccc(F)c(F)c1 ZINC000223991534 568565495 /nfs/dbraw/zinc/56/54/95/568565495.db2.gz FKCHXVZTMDNCKR-UHFFFAOYSA-N 0 0 418.849 2.579 40 0 HFABRN CCOc1ccc(N(CC(=O)NCCOc2cc(C)ccc2C)S(C)(=O)=O)cc1 ZINC000223991089 568565568 /nfs/dbraw/zinc/56/55/68/568565568.db2.gz HKQMERHPUJZOBS-UHFFFAOYSA-N 0 0 420.531 2.663 40 0 HFABRN C[C@H](C(=O)NCCOc1ccc(Cl)cc1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000224004896 568566045 /nfs/dbraw/zinc/56/60/45/568566045.db2.gz CLSHTVFJBIIQAB-CYBMUJFWSA-N 0 0 414.886 2.829 40 0 HFABRN Cc1ccc(C)c(OCCNC(=O)[C@H](C)N(c2cccc(F)c2)S(C)(=O)=O)c1 ZINC000224035130 568567204 /nfs/dbraw/zinc/56/72/04/568567204.db2.gz VDPNNZKMMPVTDW-INIZCTEOSA-N 0 0 408.495 2.792 40 0 HFABRN COc1ccc(C)cc1N(CC(=O)NCCOc1cc(C)cc(C)c1)S(C)(=O)=O ZINC000224064452 568568320 /nfs/dbraw/zinc/56/83/20/568568320.db2.gz CAEKHIAZTSVXOX-UHFFFAOYSA-N 0 0 420.531 2.582 40 0 HFABRN COc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)N3CCOCC3)c2)cc1 ZINC000224069030 568568504 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420.535 2.784 40 0 HFABRN CCOc1ccc(S(=O)(=O)N(C)CC(=O)N2c3ccccc3C[C@H]2C)cc1C ZINC000260728489 568736594 /nfs/dbraw/zinc/73/65/94/568736594.db2.gz BTLBVDJEMJWIJX-MRXNPFEDSA-N 0 0 402.516 2.992 40 0 HFABRN COc1ccc(F)cc1S(=O)(=O)N1CCC[C@H](C(=O)NCc2cccc(C)c2)C1 ZINC000260737021 568737069 /nfs/dbraw/zinc/73/70/69/568737069.db2.gz JPQONWWRWWGPFH-KRWDZBQOSA-N 0 0 420.506 2.860 40 0 HFABRN COc1ccccc1[C@@H](C)NC(=O)[C@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1 ZINC000260769970 568738312 /nfs/dbraw/zinc/73/83/12/568738312.db2.gz UDJXPMPSSZWNHR-KZULUSFZSA-N 0 0 424.906 2.753 40 0 HFABRN COc1cccc(N([C@H](C)C(=O)NC(C)(C)Cc2ccccc2)S(C)(=O)=O)c1 ZINC000260772780 568738651 /nfs/dbraw/zinc/73/86/51/568738651.db2.gz WKIZRMSTWVDYHP-MRXNPFEDSA-N 0 0 404.532 2.987 40 0 HFABRN Cc1ccc(N([C@H](C)C(=O)NCCOc2ccc(Cl)cc2)S(C)(=O)=O)cc1 ZINC000260793306 568739259 /nfs/dbraw/zinc/73/92/59/568739259.db2.gz NGZJWPLZLJAGIF-OAHLLOKOSA-N 0 0 410.923 2.998 40 0 HFABRN CCOc1ccccc1N(CC(=O)N[C@H](C)c1ccccc1OC)S(C)(=O)=O ZINC000260813132 568739954 /nfs/dbraw/zinc/73/99/54/568739954.db2.gz PTNSOYUVXKRMIQ-OAHLLOKOSA-N 0 0 406.504 2.737 40 0 HFABRN COc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](C)c2ccc(C)cc2)cc1OC ZINC000260845748 568742043 /nfs/dbraw/zinc/74/20/43/568742043.db2.gz XLICCXBIBKEWNV-OAHLLOKOSA-N 0 0 406.504 2.510 40 0 HFABRN Cc1cccc(N([C@H](C)C(=O)NCCOc2cc(C)ccc2C)S(C)(=O)=O)c1 ZINC000260886140 568742641 /nfs/dbraw/zinc/74/26/41/568742641.db2.gz FLUGHLAFGXAZRI-GOSISDBHSA-N 0 0 404.532 2.962 40 0 HFABRN Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)Nc1ccc(N3CCCC3)cc1)O2 ZINC000260892648 568743294 /nfs/dbraw/zinc/74/32/94/568743294.db2.gz BRLHIFFAHLSVAL-HXUWFJFHSA-N 0 0 415.515 2.761 40 0 HFABRN COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1C[C@H]1CCCO1 ZINC000260926930 568744747 /nfs/dbraw/zinc/74/47/47/568744747.db2.gz XAVSJXQBPDKIJA-YSGRDPCXSA-N 0 0 414.531 2.598 40 0 HFABRN CCS(=O)(=O)N1C[C@H](C(=O)N[C@@H](C)c2ccc3c(c2)CCC3)Oc2ccccc21 ZINC000260932698 568744932 /nfs/dbraw/zinc/74/49/32/568744932.db2.gz MAWBBIIIZVGBDO-YCRPNKLZSA-N 0 0 414.527 2.970 40 0 HFABRN CCC1(C(=O)N2CC[C@]3(C2)COCc2cnc(N4C[C@@H](C)O[C@@H](C)C4)nc23)CCC1 ZINC000252017729 568751108 /nfs/dbraw/zinc/75/11/08/568751108.db2.gz WLKBWOKAIXFIHN-MFEFFIJZSA-N 0 0 414.550 2.671 40 0 HFABRN CCN1CCN(C(=O)c2ncc[nH]2)C[C@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000257204364 568777325 /nfs/dbraw/zinc/77/73/25/568777325.db2.gz AUFDRCFGMLNEAD-IBGZPJMESA-N 0 0 403.486 2.635 40 0 HFABRN CCc1ccc([C@H]2CN(C(=O)c3ccc(OCC(=O)[O-])cc3)[C@@H]3CC[NH2+]C[C@@H]32)cc1 ZINC000257227642 568784287 /nfs/dbraw/zinc/78/42/87/568784287.db2.gz FQGGZIXFLZJRHE-YPAWHYETSA-N 0 0 408.498 2.930 40 0 HFABRN Cc1nc([C@H]2CCN(C(=O)[C@@H]3CCCO3)C2)nc(C)c1CC(=O)NC1CCCCC1 ZINC000257233523 568785804 /nfs/dbraw/zinc/78/58/04/568785804.db2.gz GPPWYQXZHBMRNC-PXNSSMCTSA-N 0 0 414.550 2.580 40 0 HFABRN CNC(=O)[C@]1(c2ccccn2)CCCN(C(=O)C2(c3ccc(C)cc3)CCOCC2)C1 ZINC000257243865 568788555 /nfs/dbraw/zinc/78/85/55/568788555.db2.gz IIXLUKFQTVQVCG-RUZDIDTESA-N 0 0 421.541 2.745 40 0 HFABRN Cc1nonc1CC(=O)N1CCC[C@@](C)(C(=O)NCCCc2ccccc2Cl)C1 ZINC000257254088 568791332 /nfs/dbraw/zinc/79/13/32/568791332.db2.gz KBNGYOPQSCKNLJ-OAQYLSRUSA-N 0 0 418.925 2.952 40 0 HFABRN O=C(Cc1ccc(F)c(F)c1)N1CCC2(CC1)C[C@@H](O)[C@H](c1ccccc1)NC2=O ZINC000257255061 568791800 /nfs/dbraw/zinc/79/18/00/568791800.db2.gz KFYRSHMDVHHIHP-CTNGQTDRSA-N 0 0 414.452 2.738 40 0 HFABRN Cn1cc(CN2CCO[C@H](c3cc(CCOc4ccc(Cl)cc4)n[nH]3)C2)cn1 ZINC000257259147 568792619 /nfs/dbraw/zinc/79/26/19/568792619.db2.gz KXBVPSPUQNDNLZ-FQEVSTJZSA-N 0 0 401.898 2.992 40 0 HFABRN Cn1cc(CN2CCO[C@@H](c3cc(CCOc4ccc(Cl)cc4)n[nH]3)C2)cn1 ZINC000257259148 568792685 /nfs/dbraw/zinc/79/26/85/568792685.db2.gz KXBVPSPUQNDNLZ-HXUWFJFHSA-N 0 0 401.898 2.992 40 0 HFABRN CNC(=O)[C@@]1(c2ccccn2)CCCN(C(=O)C2(c3ccccc3C)CCOCC2)C1 ZINC000257267165 568794681 /nfs/dbraw/zinc/79/46/81/568794681.db2.gz MGEXJHKPVTWISS-VWLOTQADSA-N 0 0 421.541 2.745 40 0 HFABRN O=C(CN1CCOC[C@H](Cc2ccc3ccoc3c2)C1)N1CC(=O)Nc2ccccc21 ZINC000257267233 568794862 /nfs/dbraw/zinc/79/48/62/568794862.db2.gz MGMCGYARNNLIHD-GOSISDBHSA-N 0 0 419.481 2.909 40 0 HFABRN CC(=O)N[C@H](C)C(=O)N1CC[C@@H]2O[C@@H]3c4ccc(C)cc4OC(C)(C)[C@H]3C[C@@H]2C1 ZINC000257272284 568796167 /nfs/dbraw/zinc/79/61/67/568796167.db2.gz NBUBSKPFZJCYHJ-NMPJMVOBSA-N 0 0 400.519 2.985 40 0 HFABRN O=C(CCn1ccnc1)N1CC[C@H](Oc2ccccc2)[C@@H](CC(=O)N2CCCCC2)C1 ZINC000257284341 568799792 /nfs/dbraw/zinc/79/97/92/568799792.db2.gz PCGUYFSFDAVGPP-UNMCSNQZSA-N 0 0 424.545 2.972 40 0 HFABRN CC(=O)NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H](N(C)C(=O)c2cscn2)CC1 ZINC000257301260 568804768 /nfs/dbraw/zinc/80/47/68/568804768.db2.gz RXRYDDNLEBBFLO-SFHLNBCPSA-N 0 0 401.532 2.593 40 0 HFABRN Cc1nc2cc([C@H]3CCN(C(=O)C4CC4)C3)nn2c(C)c1CCC(=O)NC(C)(C)C ZINC000257304920 568805947 /nfs/dbraw/zinc/80/59/47/568805947.db2.gz SNQUZBVBGZOXMQ-KRWDZBQOSA-N 0 0 411.550 2.919 40 0 HFABRN O=C(c1ccccn1)N1CCO[C@@H](c2cc(CCOc3ccc(F)c(F)c3)n[nH]2)C1 ZINC000257313700 568808367 /nfs/dbraw/zinc/80/83/67/568808367.db2.gz UTRZJODJQVPLQG-HXUWFJFHSA-N 0 0 414.412 2.918 40 0 HFABRN Cc1cc(-c2cnn(C)c2)cc([C@@H]2CN(CC(=O)Nc3ccc(F)cc3)CCO2)n1 ZINC000257323510 568811471 /nfs/dbraw/zinc/81/14/71/568811471.db2.gz WKNWMKWAAKKYMB-NRFANRHFSA-N 0 0 409.465 2.942 40 0 HFABRN Cc1nonc1CNC(=O)C[C@H]1CCCN(C(=O)c2c[nH]nc2-c2ccc(C)cc2)C1 ZINC000257330192 568813273 /nfs/dbraw/zinc/81/32/73/568813273.db2.gz XNGVXNFNCXOIKI-MRXNPFEDSA-N 0 0 422.489 2.635 40 0 HFABRN COc1ccc(C2=NN(C(C)=O)[C@@]3(SC(C(C)=O)=NN3c3ccccc3)N2C)cc1 ZINC000003671629 568867534 /nfs/dbraw/zinc/86/75/34/568867534.db2.gz WFONDIYBBDKJKE-NRFANRHFSA-N 0 0 423.498 2.918 40 0 HFABRN [NH3+]C[C@]1(C(=O)[O-])[C@@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218645248 568886087 /nfs/dbraw/zinc/88/60/87/568886087.db2.gz XJZGGDIHQHQRNY-ZOBUZTSGSA-N 0 0 400.283 2.963 40 0 HFABRN Cc1cccc(C(=O)N2Cc3cn(C(C)C)nc3C3(CCN(C(=O)N(C)C)CC3)C2)n1 ZINC000306124451 568887471 /nfs/dbraw/zinc/88/74/71/568887471.db2.gz BPWSVBOPVUADLI-UHFFFAOYSA-N 0 0 424.549 2.839 40 0 HFABRN Cc1cccc(C(=O)N2C[C@@H]3Cc4nnc(C(=O)Nc5ccccc5)n4C[C@H]3C2)c1 ZINC000306126590 568889263 /nfs/dbraw/zinc/88/92/63/568889263.db2.gz DZSKGOCSRFOTFF-ZWKOTPCHSA-N 0 0 401.470 2.783 40 0 HFABRN COc1ccc(OC)c(CNC(=O)c2nc([C@H]3CCCN3C(C)=O)n3ccccc23)c1 ZINC000306126514 568889402 /nfs/dbraw/zinc/88/94/02/568889402.db2.gz DYCHJLNMESRVRZ-LJQANCHMSA-N 0 0 422.485 2.965 40 0 HFABRN Cc1ccc(-c2ccc3c([C@H]4CN(C(=O)c5cnccn5)CCN4C)nnn3c2)cc1 ZINC000306127471 568890352 /nfs/dbraw/zinc/89/03/52/568890352.db2.gz FZENRNPMSNPAIY-OAQYLSRUSA-N 0 0 413.485 2.624 40 0 HFABRN Cc1cc(CN2CCC[C@]3(CN(C(=O)c4ccoc4)CC(F)(F)C3)C2=O)n(C)n1 ZINC000306129494 568892116 /nfs/dbraw/zinc/89/21/16/568892116.db2.gz IEWXQSDSXSJCGU-IBGZPJMESA-N 0 0 406.433 2.612 40 0 HFABRN CS(=O)(=O)N1CCC[C@H](c2nc(C(=O)NC3CCCCCC3)c3ccccn32)C1 ZINC000306130362 568892735 /nfs/dbraw/zinc/89/27/35/568892735.db2.gz JDSWYPAOUAQBAM-INIZCTEOSA-N 0 0 418.563 2.926 40 0 HFABRN Cc1nc(C(=O)N2C[C@H]3[C@H](C2)c2cc(-c4cccnc4)ccc2S3(=O)=O)cs1 ZINC000306132074 568894303 /nfs/dbraw/zinc/89/43/03/568894303.db2.gz KXISTOQSYKYRKY-APWZRJJASA-N 0 0 411.508 2.909 40 0 HFABRN Cc1ccc(C(=O)N2C[C@@H]3CCn4c(C(=O)NCc5ccccc5)nnc4[C@@H]3C2)cc1 ZINC000306133611 568895708 /nfs/dbraw/zinc/89/57/08/568895708.db2.gz MQUPUXUQKCZMPJ-VQTJNVASSA-N 0 0 415.497 2.776 40 0 HFABRN COCCN1c2ccccc2C2(CCN(C(=O)c3sccc3C)CC2)S1(=O)=O ZINC000306136860 568898654 /nfs/dbraw/zinc/89/86/54/568898654.db2.gz QFFOAQADOOHOOY-UHFFFAOYSA-N 0 0 420.556 2.984 40 0 HFABRN Cc1ccc(C(=O)N2CCC[C@H](c3nc4ccc(N5CCOCC5)cn4n3)C2)cc1 ZINC000306140839 568902654 /nfs/dbraw/zinc/90/26/54/568902654.db2.gz VFBOITJNAPVKGK-IBGZPJMESA-N 0 0 405.502 2.894 40 0 HFABRN CCOCCCNC(=O)c1nc(-c2ccnn2-c2cccc(OC)c2)n2ccncc12 ZINC000306142202 568903719 /nfs/dbraw/zinc/90/37/19/568903719.db2.gz WSUPNPZYYNCZOE-UHFFFAOYSA-N 0 0 420.473 2.747 40 0 HFABRN COCC(=O)N[C@@H]1CCCC[C@]12CN(Cc1ccccc1OC(F)(F)F)CCO2 ZINC000306142392 568903935 /nfs/dbraw/zinc/90/39/35/568903935.db2.gz WYIKXAFWLUHEDH-MJGOQNOKSA-N 0 0 416.440 2.861 40 0 HFABRN CC(C)n1cc(CN2C[C@@H]3c4cc(-c5cnn(C)c5)ccc4S(=O)(=O)[C@@H]3C2)cn1 ZINC000306144191 568905559 /nfs/dbraw/zinc/90/55/59/568905559.db2.gz YYOFFFHKSJEEFF-TZIWHRDSSA-N 0 0 411.531 2.620 40 0 HFABRN CC(C)(C)OC(=O)N[C@H](Cc1ccc(OC(C)(C)C)cc1)C1([NH2+]CC(=O)[O-])COC1 ZINC000306145617 568906484 /nfs/dbraw/zinc/90/64/84/568906484.db2.gz KQIZCUKEJIFTRJ-QGZVFWFLSA-N 0 0 422.522 2.743 40 0 HFABRN CCOC(=O)[C@]1(N)[C@@H](c2ccc(OC)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218119445 568926066 /nfs/dbraw/zinc/92/60/66/568926066.db2.gz AKZZZYJRAAYDNO-LNLFQRSKSA-N 0 0 409.891 2.549 40 0 HFABRN Cc1ccc(S(=O)(=O)[C@H]2[C@H](c3ccc(Br)cc3)C2(CO)CO)cc1 ZINC000218230060 568928513 /nfs/dbraw/zinc/92/85/13/568928513.db2.gz ACVIEZBHEAOJPD-IRXDYDNUSA-N 0 0 411.317 2.668 40 0 HFABRN Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3ccc(Br)cc3)[C@@]2(C[NH3+])C(=O)[O-])cc1 ZINC000218227985 568928542 /nfs/dbraw/zinc/92/85/42/568928542.db2.gz LAVPEHPCNKRVAR-LZLYRXPVSA-N 0 0 424.316 2.727 40 0 HFABRN Cn1c2nc(Br)n(Cc3ccc(Cl)cc3Cl)c2c(=O)[nH]c1=O ZINC000062720531 568936212 /nfs/dbraw/zinc/93/62/12/568936212.db2.gz QYRAIVBOBAUVBP-UHFFFAOYSA-N 0 0 404.051 2.541 40 0 HFABRN Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3ccc(Br)cc3)[C@]2(C[NH3+])C(=O)[O-])cc1 ZINC000242548052 568964201 /nfs/dbraw/zinc/96/42/01/568964201.db2.gz LAVPEHPCNKRVAR-JZXOWHBKSA-N 0 0 424.316 2.727 40 0 HFABRN C[C@@H](CO)Nc1nc(NCc2ccc(Br)cc2)cc(-c2cccnc2)n1 ZINC000328984923 568971409 /nfs/dbraw/zinc/97/14/09/568971409.db2.gz HQSVPEAIQZWMPY-ZDUSSCGKSA-N 0 0 414.307 2.550 40 0 HFABRN C[C@@H](CO)Nc1nc(NCc2cccc(Br)c2)cc(-c2cccnc2)n1 ZINC000329004443 568972207 /nfs/dbraw/zinc/97/22/07/568972207.db2.gz KSVDUTHRLLFECB-ZDUSSCGKSA-N 0 0 414.307 2.550 40 0 HFABRN C[C@H](CO)Nc1nc(Nc2ccc(Br)c(F)c2)cc(-c2cccnc2)n1 ZINC000329006313 568972225 /nfs/dbraw/zinc/97/22/25/568972225.db2.gz LCVIRJUCAPZFDX-LLVKDONJSA-N 0 0 418.270 2.820 40 0 HFABRN OCCCNc1nc(Nc2cccc(Br)c2)cc(-c2ccncc2)n1 ZINC000329007252 568972326 /nfs/dbraw/zinc/97/23/26/568972326.db2.gz LKDYAWKRMFIMHK-UHFFFAOYSA-N 0 0 400.280 2.683 40 0 HFABRN CC[C@H](C)Nc1cc(N2CCc3ccc(S(N)(=O)=O)cc3C2)nc(C2CC2)n1 ZINC000329024958 568973246 /nfs/dbraw/zinc/97/32/46/568973246.db2.gz PDVALSHZQQUWID-ZDUSSCGKSA-N 0 0 401.536 2.775 40 0 HFABRN C[C@@H](CO)Nc1nc(NCc2ccccc2Br)cc(-c2ccncc2)n1 ZINC000329034360 568973877 /nfs/dbraw/zinc/97/38/77/568973877.db2.gz QYOZPIVFSATKEG-ZDUSSCGKSA-N 0 0 414.307 2.550 40 0 HFABRN OCCNc1nc(Nc2cccc(O)c2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329065116 568975303 /nfs/dbraw/zinc/97/53/03/568975303.db2.gz XPTLVQBSIUUGKE-UHFFFAOYSA-N 0 0 406.364 2.739 40 0 HFABRN C[C@@H](CO)Nc1nc(NCc2ccc(Br)cc2)cc(-c2ccccn2)n1 ZINC000329064415 568975315 /nfs/dbraw/zinc/97/53/15/568975315.db2.gz XJVJFULVVZNRCB-ZDUSSCGKSA-N 0 0 414.307 2.550 40 0 HFABRN O=C(COC(=O)CCN1C(=O)c2ccccc2C1=O)Nc1cccc(C(F)(F)F)c1 ZINC000001941547 569023956 /nfs/dbraw/zinc/02/39/56/569023956.db2.gz RTROPEYHEWGZQS-UHFFFAOYSA-N 0 0 420.343 2.873 40 0 HFABRN 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CCOC(=O)[C@@]1(N)[C@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(OC)cc1 ZINC000242390328 569326784 /nfs/dbraw/zinc/32/67/84/569326784.db2.gz AKZZZYJRAAYDNO-LMMKCTJWSA-N 0 0 409.891 2.549 40 0 HFABRN COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cc(Cl)ccc2C)cc1OC ZINC000006206053 569329875 /nfs/dbraw/zinc/32/98/75/569329875.db2.gz DTYYUIYMGOMMGE-GFCCVEGCSA-N 0 0 412.895 2.971 40 0 HFABRN COCCCNC(=O)COc1ccc(S(=O)(=O)Nc2cc(C)ccc2C)cc1 ZINC000006235003 569330202 /nfs/dbraw/zinc/33/02/02/569330202.db2.gz WQNMLMPFIFVALC-UHFFFAOYSA-N 0 0 406.504 2.636 40 0 HFABRN COc1ccc(S(=O)(=O)N(CC(=O)NCCCOC(C)C)c2ccccc2)cc1 ZINC000006307112 569330588 /nfs/dbraw/zinc/33/05/88/569330588.db2.gz XGGVWQUHQZPEBQ-UHFFFAOYSA-N 0 0 420.531 2.822 40 0 HFABRN CCOCCCNC(=O)CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1 ZINC000006354810 569331363 /nfs/dbraw/zinc/33/13/63/569331363.db2.gz XUNZXNVTAIAKMU-UHFFFAOYSA-N 0 0 408.495 2.559 40 0 HFABRN COc1cc([C@@H]2CC(=O)Nc3ncnn32)ccc1OCC(=O)Nc1cccc(C)c1C ZINC000006451065 569332536 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558330712 /nfs/dbraw/zinc/33/07/12/558330712.db2.gz MFALVOXSCXNRJN-UHFFFAOYSA-N 0 0 415.511 2.603 40 0 HFABRN COc1ccc(NS(=O)(=O)c2ccc(OC)c(N3CCCC3=O)c2)cc1OC ZINC000020106057 558333489 /nfs/dbraw/zinc/33/34/89/558333489.db2.gz ADXVZABGKNFXQD-UHFFFAOYSA-N 0 0 406.460 2.640 40 0 HFABRN COc1ccc([C@H](C)NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)N(C)C)cc1 ZINC000020108123 558334274 /nfs/dbraw/zinc/33/42/74/558334274.db2.gz QAZGUIAATVNSOF-KRWDZBQOSA-N 0 0 419.547 2.802 40 0 HFABRN CCc1nccn1CC1(O)CCN(C(=O)c2cc3c(cc(OC)cc3OC)[nH]2)CC1 ZINC000012143552 558335472 /nfs/dbraw/zinc/33/54/72/558335472.db2.gz FZJJRXHHVDAZCY-UHFFFAOYSA-N 0 0 412.490 2.611 40 0 HFABRN COCCN(C(=O)c1ccc2nccnc2c1)c1nc2c(s1)CCc1c-2cnn1C ZINC000012146097 558337516 /nfs/dbraw/zinc/33/75/16/558337516.db2.gz UNSFVVYQGXKHOA-UHFFFAOYSA-N 0 0 420.498 2.879 40 0 HFABRN COc1ccc(Cl)cc1NC(=O)CN1c2ccccc2C(=O)N2CCC[C@H]2C1=O ZINC000012146222 558337641 /nfs/dbraw/zinc/33/76/41/558337641.db2.gz GWOYPUNPTVPGQI-KRWDZBQOSA-N 0 0 413.861 2.939 40 0 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HFABRN O=C(Cc1ccc(F)cc1Cl)N1CCC[C@H]1Cn1nnc(-c2cccnc2)n1 ZINC000012407210 558398479 /nfs/dbraw/zinc/39/84/79/558398479.db2.gz UYHCMJRLGYJHQY-INIZCTEOSA-N 0 0 400.845 2.761 40 0 HFABRN CC(C)NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(F)c(F)c2F)cc1 ZINC000022227357 558467393 /nfs/dbraw/zinc/46/73/93/558467393.db2.gz YCIINJVMVLXEJD-UHFFFAOYSA-N 0 0 400.422 2.763 40 0 HFABRN COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CCCC2)cc1C ZINC000022247167 558472486 /nfs/dbraw/zinc/47/24/86/558472486.db2.gz XPLGLCKLCVJYCX-LJQANCHMSA-N 0 0 402.516 2.516 40 0 HFABRN CCS(=O)(=O)N(C)c1cc(OC)c(OC)cc1C(=O)N1CCc2ccccc2C1 ZINC000022252940 558473840 /nfs/dbraw/zinc/47/38/40/558473840.db2.gz VQYLVASEDYCPMT-UHFFFAOYSA-N 0 0 418.515 2.688 40 0 HFABRN CCCCNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(OCC)cc1 ZINC000022271140 558475344 /nfs/dbraw/zinc/47/53/44/558475344.db2.gz VBCLVUZVNOPOOD-FQEVSTJZSA-N 0 0 404.532 2.891 40 0 HFABRN Cc1ccc(C)c(N(CC(=O)N[C@@H](C)COc2ccccc2C)S(C)(=O)=O)c1 ZINC000022328852 558479093 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Cc1ccc([C@@H](C)NC(=O)CN(c2ccc3c(c2)OCO3)S(C)(=O)=O)cc1C ZINC000022368406 558483634 /nfs/dbraw/zinc/48/36/34/558483634.db2.gz CJQSLLRWQGIUGA-OAHLLOKOSA-N 0 0 404.488 2.676 40 0 HFABRN CCOc1ccccc1CNC(=O)CN(c1ccc(OC(C)C)cc1)S(C)(=O)=O ZINC000022396819 558486662 /nfs/dbraw/zinc/48/66/62/558486662.db2.gz JMCYJDLUZYPQMT-UHFFFAOYSA-N 0 0 420.531 2.955 40 0 HFABRN COc1ccc([C@H](C)NC(=O)CN(c2ccccc2C)S(C)(=O)=O)cc1OC ZINC000022432118 558489510 /nfs/dbraw/zinc/48/95/10/558489510.db2.gz NYNXDZPDOBSTHA-HNNXBMFYSA-N 0 0 406.504 2.656 40 0 HFABRN CCNC(=O)c1cc(S(=O)(=O)N[C@H](C)c2ccc(OCC)cc2)ccc1OC ZINC000022522809 558494947 /nfs/dbraw/zinc/49/49/47/558494947.db2.gz YDWXPPWNHVHHIY-CQSZACIVSA-N 0 0 406.504 2.883 40 0 HFABRN CCOc1ccc(NC(=O)CN(CC)S(=O)(=O)c2cc(F)ccc2OC)cc1 ZINC000013581212 558544757 /nfs/dbraw/zinc/54/47/57/558544757.db2.gz YXNSYKNWGPDARF-UHFFFAOYSA-N 0 0 410.467 2.882 40 0 HFABRN COc1cccc2cc(C(=O)N3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)oc21 ZINC000013669615 558561347 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421.497 2.970 40 0 HFABRN C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000014738183 558666372 /nfs/dbraw/zinc/66/63/72/558666372.db2.gz DKXRPYONWQPDMH-CQSZACIVSA-N 0 0 424.906 2.767 40 0 HFABRN COC(=O)C1C(C)=Nc2nnnn2[C@H]1c1cc(Cl)cc(Br)c1OC ZINC000015016900 558702706 /nfs/dbraw/zinc/70/27/06/558702706.db2.gz QLULCLMRBZNXSI-NSHDSACASA-N 0 0 414.647 2.560 40 0 HFABRN O=C(NCCSc1ccccc1)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000015136767 558724724 /nfs/dbraw/zinc/72/47/24/558724724.db2.gz CFNRQKUIZHGGAO-UHFFFAOYSA-N 0 0 404.557 2.996 40 0 HFABRN O=C(NCc1ccc2c(c1)OCO2)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000015271697 558729927 /nfs/dbraw/zinc/72/99/27/558729927.db2.gz CIVFQIPTFVTMNX-UHFFFAOYSA-N 0 0 422.890 2.783 40 0 HFABRN CCCNC(=O)C1CCN(S(=O)(=O)Cc2cccc(Br)c2)CC1 ZINC000030754133 558736677 /nfs/dbraw/zinc/73/66/77/558736677.db2.gz CEJPBTHCLNFHPK-UHFFFAOYSA-N 0 0 403.342 2.517 40 0 HFABRN CC(C)(C)NC(=O)C1CCN(S(=O)(=O)Cc2cccc(Br)c2)CC1 ZINC000030755092 558736825 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COc1ccc(SCC(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)cc1OC ZINC000038756606 558814927 /nfs/dbraw/zinc/81/49/27/558814927.db2.gz FRHQGWASXDFGBE-UHFFFAOYSA-N 0 0 410.517 2.830 40 0 HFABRN Cc1ccc([C@@H](NC(=O)C2CCN(S(=O)(=O)N(C)C)CC2)c2ccccc2)cc1 ZINC000038772632 558815456 /nfs/dbraw/zinc/81/54/56/558815456.db2.gz PBHGKQLDNQBQNS-NRFANRHFSA-N 0 0 415.559 2.719 40 0 HFABRN COc1ccc(CNC(=O)CCCN(c2ccc(F)cc2)S(C)(=O)=O)cc1OC ZINC000038772674 558815467 /nfs/dbraw/zinc/81/54/67/558815467.db2.gz HULXHNGWMJWVJZ-UHFFFAOYSA-N 0 0 424.494 2.706 40 0 HFABRN COc1ccc(-c2c3c(ccn(-c4nc(C)cc(C)n4)c3=O)nc3nc(C)nn32)cc1 ZINC000038828799 558815962 /nfs/dbraw/zinc/81/59/62/558815962.db2.gz TVZCGZYWCDTYML-UHFFFAOYSA-N 0 0 413.441 2.819 40 0 HFABRN COc1ccc(CCn2nnnc2[C@H](C(C)C)N2CCC(C(N)=O)CC2)cc1OC ZINC000082061322 558827637 /nfs/dbraw/zinc/82/76/37/558827637.db2.gz ASFBLJDTBFNXEY-IBGZPJMESA-N 0 0 416.526 2.877 40 0 HFABRN CN(CC(=O)Nc1ccc(N2CCCC2=O)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000017605368 558827668 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O=S(=O)(CCOc1ccccc1)N1CCC[C@@H]1c1nnc(-c2ccccn2)o1 ZINC000019373539 558880755 /nfs/dbraw/zinc/88/07/55/558880755.db2.gz OERYPUKKRAOWHN-QGZVFWFLSA-N 0 0 400.460 2.677 40 0 HFABRN NC(=O)[C@@]1(Cc2cccc(-c3cccc(F)c3)c2)CN(C(=O)c2ccccn2)CCO1 ZINC000019400196 558882853 /nfs/dbraw/zinc/88/28/53/558882853.db2.gz DPHXIUXEYHMICU-XMMPIXPASA-N 0 0 419.456 2.827 40 0 HFABRN O=C(c1cc2nccc(-c3ccc(F)cc3)n2n1)N1CCN(Cc2ccccn2)CC1 ZINC000019401797 558883561 /nfs/dbraw/zinc/88/35/61/558883561.db2.gz PWHSOKMSUCUWTQ-UHFFFAOYSA-N 0 0 416.460 2.888 40 0 HFABRN COc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCOCC3)c(Cl)c2)cc1 ZINC000055650221 558883890 /nfs/dbraw/zinc/88/38/90/558883890.db2.gz UWQRUOQMOAADRQ-UHFFFAOYSA-N 0 0 410.879 2.622 40 0 HFABRN CC(C)Cc1cc(C(=O)N2CCN([C@H](c3nccn3C)c3ccccc3)CC2)n(C)n1 ZINC000019447443 558886434 /nfs/dbraw/zinc/88/64/34/558886434.db2.gz QRCNFBIJDNDTLD-QFIPXVFZSA-N 0 0 420.561 2.900 40 0 HFABRN CC(C)OCCN1CCN(C(=O)c2cc(-c3ccncc3)c3cnccc3n2)CC1 ZINC000019450448 558888876 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558913330 /nfs/dbraw/zinc/91/33/30/558913330.db2.gz LZOJKJJQWSXIIB-ZDUSSCGKSA-N 0 0 407.430 2.946 40 0 HFABRN COc1ccc(OC)c([C@@H]2CCCN2C(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)c1 ZINC000019551263 558915339 /nfs/dbraw/zinc/91/53/39/558915339.db2.gz GPHKRKPGMTYILG-JXFKEZNVSA-N 0 0 409.486 2.811 40 0 HFABRN COc1ccc(OC)c([C@H]2CCCN2C(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)c1 ZINC000019551265 558915350 /nfs/dbraw/zinc/91/53/50/558915350.db2.gz GPHKRKPGMTYILG-OXJNMPFZSA-N 0 0 409.486 2.811 40 0 HFABRN COc1ccc(OC)c(CC(=O)N2C[C@@H](c3cccnc3)[C@]3(C2)CCCCC(=O)N3)c1 ZINC000019551390 558915554 /nfs/dbraw/zinc/91/55/54/558915554.db2.gz PBAHGABDKKSXIZ-GBXCKJPGSA-N 0 0 423.513 2.696 40 0 HFABRN CCC[NH+]1CCC2(CC1)OC[C@H](C(=O)[O-])N2C(=O)c1cccc(Br)c1 ZINC000071980336 558917197 /nfs/dbraw/zinc/91/71/97/558917197.db2.gz LFZOXEUPSOOWBK-OAHLLOKOSA-N 0 0 411.296 2.577 40 0 HFABRN COc1ccc(-n2nnc(C)c2C(=O)Nc2ccc(CN3CCOCC3)cc2)cc1 ZINC000019554671 558917702 /nfs/dbraw/zinc/91/77/02/558917702.db2.gz CGBXXGMNXAELAR-UHFFFAOYSA-N 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Cc1noc2nc([C@@H]3CCCN(C(=O)CCn4cncn4)C3)cc(C(F)(F)F)c12 ZINC000019563891 558923873 /nfs/dbraw/zinc/92/38/73/558923873.db2.gz MJOPDXVGFABFHL-GFCCVEGCSA-N 0 0 408.384 2.938 40 0 HFABRN Cc1noc2nc([C@H]3CCCN(C(=O)CN4CCCC4=O)C3)cc(C(F)(F)F)c12 ZINC000019563899 558923939 /nfs/dbraw/zinc/92/39/39/558923939.db2.gz OWXIVFZPEQMMPK-LBPRGKRZSA-N 0 0 410.396 2.878 40 0 HFABRN Cc1cc(C)cc(C2(CNC(=O)[C@H]3CC(=O)N(Cc4cccnc4)C3)CCOCC2)c1 ZINC000019569522 558928470 /nfs/dbraw/zinc/92/84/70/558928470.db2.gz MFZQYNPVNJCZTJ-NRFANRHFSA-N 0 0 421.541 2.912 40 0 HFABRN COc1ccc(CC(=O)N2CC[C@@H](c3cc(=O)[nH]c(-c4ccccn4)n3)C2)cc1C ZINC000019571022 558929642 /nfs/dbraw/zinc/92/96/42/558929642.db2.gz MRFXENBENXTQEF-QGZVFWFLSA-N 0 0 404.470 2.708 40 0 HFABRN COc1ccc(CC(=O)N2CCN(Cc3cc(-c4cccnc4)nn3C)CC2)cc1C ZINC000019571179 558929863 /nfs/dbraw/zinc/92/98/63/558929863.db2.gz JDVYSNOSQMSOQI-UHFFFAOYSA-N 0 0 419.529 2.686 40 0 HFABRN Cc1nc(CN2CCN(C(=O)c3noc(C)c3Cc3c(C)n[nH]c3C)CC2)cs1 ZINC000019579078 558934712 /nfs/dbraw/zinc/93/47/12/558934712.db2.gz DMBWITQVWOYEHD-UHFFFAOYSA-N 0 0 414.535 2.637 40 0 HFABRN COCC(=O)N1CC[C@@](Cc2ccc(-c3ccccc3OC)cc2)(C(=O)N(C)C)C1 ZINC000019579974 558935622 /nfs/dbraw/zinc/93/56/22/558935622.db2.gz JCLYBOOSQHCGEK-DEOSSOPVSA-N 0 0 410.514 2.858 40 0 HFABRN COc1ccc(-n2ncc(C(=O)[C@H]3CCCN3C(=O)c3c(C)noc3C)c2N)cc1 ZINC000019580009 558935696 /nfs/dbraw/zinc/93/56/96/558935696.db2.gz XGHZBXNXBCTLEN-QGZVFWFLSA-N 0 0 409.446 2.555 40 0 HFABRN Cc1noc(C)c1CCC(=O)N1CC[C@@H](C(=O)c2cnn(-c3ccccc3)c2N)C1 ZINC000019580572 558936208 /nfs/dbraw/zinc/93/62/08/558936208.db2.gz FQHCVDCAWJEUJV-MRXNPFEDSA-N 0 0 407.474 2.723 40 0 HFABRN COc1ccc(N2C[C@@H](C(=O)N(C)C[C@@H]3OCCc4ccccc43)CC2=O)c(OC)c1 ZINC000019585993 558939196 /nfs/dbraw/zinc/93/91/96/558939196.db2.gz PKGXDDRSUZNQJQ-JTSKRJEESA-N 0 0 424.497 2.829 40 0 HFABRN COc1ccccc1N1C[C@@H](c2cc(=O)[nH]c(N(C)CCc3ccccc3)n2)CC1=O ZINC000019586235 558939369 /nfs/dbraw/zinc/93/93/69/558939369.db2.gz VYHFHOJHVJXAIE-SFHVURJKSA-N 0 0 418.497 2.978 40 0 HFABRN CNC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCCN(C(=O)[C@@H]2CCCO2)C1 ZINC000019591057 558941358 /nfs/dbraw/zinc/94/13/58/558941358.db2.gz QIHQLLCFKHHPQI-URXFXBBRSA-N 0 0 407.514 2.825 40 0 HFABRN Cn1cc(C(=O)N2CCC[C@@H](c3nc(N)ncc3-c3cccc(F)c3)C2)ccc1=O ZINC000072346199 558943128 /nfs/dbraw/zinc/94/31/28/558943128.db2.gz XINRUOXVWJZLMG-OAHLLOKOSA-N 0 0 407.449 2.583 40 0 HFABRN CO[C@H]1CCC[C@@H](C(=O)N2CCC(c3nc(-c4nccs4)cc(=O)[nH]3)CC2)C1 ZINC000019592600 558943530 /nfs/dbraw/zinc/94/35/30/558943530.db2.gz YPIGPVNHSOXMSG-CABCVRRESA-N 0 0 402.520 2.805 40 0 HFABRN COCCC(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CCN(Cc1ccsc1)C2 ZINC000019593168 558943984 /nfs/dbraw/zinc/94/39/84/558943984.db2.gz AFKPOZLQVQAGIE-GOSISDBHSA-N 0 0 416.547 2.892 40 0 HFABRN CNc1cc(C(=O)N2CC[C@H](c3c4ccccc4sc3C(=O)NCCO)C2)ccn1 ZINC000072352176 558948316 /nfs/dbraw/zinc/94/83/16/558948316.db2.gz IRWDXPJPZNDZCI-HNNXBMFYSA-N 0 0 424.526 2.690 40 0 HFABRN Cc1cc(-c2cn3nc4c(nc3n2)CCCC4)ccc1NC(=O)[C@H](C)N1CCCC1=O ZINC000019657226 558949690 /nfs/dbraw/zinc/94/96/90/558949690.db2.gz BOHRNOWLTTYWDT-HNNXBMFYSA-N 0 0 418.501 2.928 40 0 HFABRN COc1ccc(N2C[C@@H](NC(=O)C3(c4cccc(F)c4)CCOCC3)CC2=O)cc1 ZINC000019662030 558953047 /nfs/dbraw/zinc/95/30/47/558953047.db2.gz PYXBAKAUSPDYBD-SFHVURJKSA-N 0 0 412.461 2.804 40 0 HFABRN COc1ccc([C@H]2c3nc[nH]c3CCN2C(=O)c2ccc(-n3cccn3)nc2)cc1 ZINC000019663873 558954626 /nfs/dbraw/zinc/95/46/26/558954626.db2.gz SLFMKHJWJXKCQU-NRFANRHFSA-N 0 0 400.442 2.787 40 0 HFABRN Cn1cnc(S(=O)(=O)N2CCC[C@@H](c3nccnc3-c3cccc(F)c3)C2)c1 ZINC000072359146 558954742 /nfs/dbraw/zinc/95/47/42/558954742.db2.gz QJGJNBBFVFTPGJ-OAHLLOKOSA-N 0 0 401.467 2.585 40 0 HFABRN COc1ccc(C)cc1N1C[C@H](C(=O)Nc2nc(-c3nonc3C)cs2)CC1=O ZINC000019664930 558955291 /nfs/dbraw/zinc/95/52/91/558955291.db2.gz IWYCAUYSFBXYMN-GFCCVEGCSA-N 0 0 413.459 2.810 40 0 HFABRN CCn1cc(-c2cc(C(=O)Nc3ccc4c(c3)N(S(C)(=O)=O)CCC4)no2)cn1 ZINC000019665225 558955437 /nfs/dbraw/zinc/95/54/37/558955437.db2.gz UTMHILWTGFLDQI-UHFFFAOYSA-N 0 0 415.475 2.523 40 0 HFABRN Cc1cnc(Nc2cc([C@@H]3CCCN3S(=O)(=O)c3cn(C)cn3)nc(C)n2)s1 ZINC000072359920 558955517 /nfs/dbraw/zinc/95/55/17/558955517.db2.gz FRYBIGSLNFWPSX-AWEZNQCLSA-N 0 0 419.536 2.553 40 0 HFABRN COCCc1ncc(CN2CCC[C@@H]2c2cc(Nc3cc(C)[nH]n3)nc(C)n2)cn1 ZINC000072361476 558955950 /nfs/dbraw/zinc/95/59/50/558955950.db2.gz QLIWVQREZXTBHK-GOSISDBHSA-N 0 0 408.510 2.876 40 0 HFABRN Cc1c(CN(C)Cc2nc(C)c3c(n2)N(Cc2ccccc2)C(=O)CC3)cnn1C ZINC000072371004 558957432 /nfs/dbraw/zinc/95/74/32/558957432.db2.gz BISFHQMJGUSCSD-UHFFFAOYSA-N 0 0 404.518 2.938 40 0 HFABRN CC(C)c1ccc(OCCc2cc([C@H]3CCN(S(=O)(=O)N(C)C)C3)[nH]n2)cc1 ZINC000072371326 558957853 /nfs/dbraw/zinc/95/78/53/558957853.db2.gz YBQOKKXUPFXWRT-KRWDZBQOSA-N 0 0 406.552 2.750 40 0 HFABRN O=C(CCCN1C(=O)CNC1=O)N1CCC[C@H]1c1ccc(Cc2ccc(F)cc2)cn1 ZINC000019688423 558957875 /nfs/dbraw/zinc/95/78/75/558957875.db2.gz PFCCOISQKLCIRM-FQEVSTJZSA-N 0 0 424.476 2.807 40 0 HFABRN Cn1cnc(S(=O)(=O)N2CCC(c3ccc(Nc4ccc(F)cn4)cn3)CC2)c1 ZINC000072374342 558962005 /nfs/dbraw/zinc/96/20/05/558962005.db2.gz IGWJEIDZDPGUKL-UHFFFAOYSA-N 0 0 416.482 2.661 40 0 HFABRN Cc1ccc(C(=O)[C@](Br)(I)S(C)(=O)=O)cc1 ZINC000096518519 558963282 /nfs/dbraw/zinc/96/32/82/558963282.db2.gz CUYBTIBNGHZBKH-JTQLQIEISA-N 0 0 417.062 2.706 40 0 HFABRN COc1ccc(-c2cnc(N(C)C)nc2C2CCN(C(=O)c3ccnn3C)CC2)cc1 ZINC000019695336 558963919 /nfs/dbraw/zinc/96/39/19/558963919.db2.gz YUSSJFVLLSACQU-UHFFFAOYSA-N 0 0 420.517 2.972 40 0 HFABRN Cc1cccc(Nc2cccc([C@H]3CCCN3C(=O)CCCN3C(=O)CNC3=O)n2)n1 ZINC000072375404 558963981 /nfs/dbraw/zinc/96/39/81/558963981.db2.gz NGVAWIGWIQZRRZ-QGZVFWFLSA-N 0 0 422.489 2.524 40 0 HFABRN Cc1ccccc1[C@@H](O)[C@@](Br)(I)S(C)(=O)=O ZINC000096521025 558964314 /nfs/dbraw/zinc/96/43/14/558964314.db2.gz XXZXUVFYUASAIE-NXEZZACHSA-N 0 0 419.078 2.557 40 0 HFABRN COc1cccc(CN2CC=CC[C@H](C3CCN(C(=O)c4nonc4C)CC3)C2=O)c1 ZINC000019698499 558965924 /nfs/dbraw/zinc/96/59/24/558965924.db2.gz SMTQXFJYVZDLAU-HXUWFJFHSA-N 0 0 424.501 2.844 40 0 HFABRN COc1cccc(-c2cnc(N)nc2[C@H]2CCCCN2C(=O)c2ccc(=O)n(C)c2)c1 ZINC000072377205 558966520 /nfs/dbraw/zinc/96/65/20/558966520.db2.gz VKMWFXSNNPNFDM-LJQANCHMSA-N 0 0 419.485 2.801 40 0 HFABRN COc1ccc(NC(=O)CN2CCC[C@@H](c3ccnc(Nc4cncnc4)n3)C2)cc1 ZINC000072377593 558966696 /nfs/dbraw/zinc/96/66/96/558966696.db2.gz GWGYAXKQXDKABF-MRXNPFEDSA-N 0 0 419.489 2.837 40 0 HFABRN COc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccnc(Nc3cncnc3)n2)cc1 ZINC000072377752 558966929 /nfs/dbraw/zinc/96/69/29/558966929.db2.gz AIYANXTWDSHKSD-GOSISDBHSA-N 0 0 412.475 2.545 40 0 HFABRN O=C(c1cccnc1)N1CCC(c2cc(C(F)(F)F)c3c(n2)CCNC3=O)CC1 ZINC000019703754 558967924 /nfs/dbraw/zinc/96/79/24/558967924.db2.gz RORYNVOLMIOMII-UHFFFAOYSA-N 0 0 404.392 2.801 40 0 HFABRN CC(C)c1nccn1-c1cccc([C@@H]2CCCN2S(=O)(=O)c2cn(C)cn2)n1 ZINC000072379240 558967984 /nfs/dbraw/zinc/96/79/84/558967984.db2.gz MMCGPBKEHORUPA-INIZCTEOSA-N 0 0 400.508 2.650 40 0 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/nfs/dbraw/zinc/26/20/05/558262005.db2.gz CEUIXXRCSDIOHJ-QGZVFWFLSA-N 0 0 420.517 2.592 40 0 HFABRN CCn1c(C)nc2cc(NC(=O)Cn3cc(C(=O)NC4CCCC4)ccc3=O)ccc21 ZINC000019746391 558266521 /nfs/dbraw/zinc/26/65/21/558266521.db2.gz RWSGVIVMWGOMKW-UHFFFAOYSA-N 0 0 421.501 2.837 40 0 HFABRN Cc1cnn(CC(=O)N2CCC([C@H]3CCCCN3C(=O)COc3ccccc3)CC2)c1 ZINC000019746977 558266738 /nfs/dbraw/zinc/26/67/38/558266738.db2.gz HKNKTKBOGZJBJV-JOCHJYFZSA-N 0 0 424.545 2.890 40 0 HFABRN O=C(Cn1cccc(C(=O)N2CCC3(C2)CCCCC3)c1=O)Nc1nccs1 ZINC000019750100 558270334 /nfs/dbraw/zinc/27/03/34/558270334.db2.gz NESMNOSGEAXLLZ-UHFFFAOYSA-N 0 0 400.504 2.740 40 0 HFABRN C[C@@H](CN(C)C(=O)c1cccn(CC(=O)Nc2nccs2)c1=O)c1ccccc1 ZINC000019751433 558271518 /nfs/dbraw/zinc/27/15/18/558271518.db2.gz BDZBPYBJLMJYOZ-HNNXBMFYSA-N 0 0 410.499 2.819 40 0 HFABRN Cc1nc(C2CCN(C(=O)CCc3ccccc3)CC2)ncc1C(=O)N1CCOCC1 ZINC000019751969 558271724 /nfs/dbraw/zinc/27/17/24/558271724.db2.gz FTYPOAMNWZEZIK-UHFFFAOYSA-N 0 0 422.529 2.596 40 0 HFABRN COc1ccccc1OCC(=O)N1CCC[C@@H]1c1ncc(C(=O)N2CCCC2)c(C)n1 ZINC000019756198 558274332 /nfs/dbraw/zinc/27/43/32/558274332.db2.gz GJPJPTKYMKPMBU-GOSISDBHSA-N 0 0 424.501 2.772 40 0 HFABRN Cc1nc(C2CCN(C(=O)CC3CCCC3)CC2)ncc1C(=O)N1CCOCC1 ZINC000019766541 558278842 /nfs/dbraw/zinc/27/88/42/558278842.db2.gz NKKIVFFVPATZSN-UHFFFAOYSA-N 0 0 400.523 2.544 40 0 HFABRN COc1ccc(Cl)cc1NC(=O)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@@H]2OC(C)(C)O[C@@H]21 ZINC000011851679 558289260 /nfs/dbraw/zinc/28/92/60/558289260.db2.gz FOLIWIHHCQEVHR-LVNYTYFRSA-N 0 0 413.854 2.684 40 0 HFABRN CCOC(=O)[C@H]1[C@@H](c2cccc(Cl)c2Cl)NC(=O)N[C@@]1(O)C(F)(F)F ZINC000011859192 558289591 /nfs/dbraw/zinc/28/95/91/558289591.db2.gz QHWQRSRLVPZOAH-JQEORGNBSA-N 0 0 401.168 2.778 40 0 HFABRN COCCCn1c(=O)[nH]c(=O)c2c3c(cnc21)C(=O)C[C@@H](c1cccc(Cl)c1)C3 ZINC000019821227 558290607 /nfs/dbraw/zinc/29/06/07/558290607.db2.gz SRPWGCWOSAMBAH-ZDUSSCGKSA-N 0 0 413.861 2.687 40 0 HFABRN CCN(CC(=O)N[C@@H](C)c1ccc(OC)cc1)S(=O)(=O)c1ccc(OC)c(C)c1 ZINC000019929972 558309759 /nfs/dbraw/zinc/30/97/59/558309759.db2.gz OGLBKVSZNJIXQX-INIZCTEOSA-N 0 0 420.531 2.900 40 0 HFABRN O=C(COc1ccc(Cl)cc1S(=O)(=O)N1CCCC1)NCc1ccccc1 ZINC000019935204 558311620 /nfs/dbraw/zinc/31/16/20/558311620.db2.gz CKVYXCMWGSYEOT-UHFFFAOYSA-N 0 0 408.907 2.820 40 0 HFABRN O=C(COc1ccc(Cl)cc1S(=O)(=O)N1CCCC1)N1CCCCCC1 ZINC000019935404 558311766 /nfs/dbraw/zinc/31/17/66/558311766.db2.gz CRHLUTYTWOULFJ-UHFFFAOYSA-N 0 0 400.928 2.906 40 0 HFABRN CC(=O)Nc1cccc(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCCC3)c2)c1 ZINC000019935709 558312007 /nfs/dbraw/zinc/31/20/07/558312007.db2.gz VYUNDPDIDBRVRG-UHFFFAOYSA-N 0 0 405.451 2.821 40 0 HFABRN CCn1c2ccc(S(=O)(=O)N[C@H](C)c3ccc(OC)c(OC)c3)cc2oc1=O ZINC000019936879 558312251 /nfs/dbraw/zinc/31/22/51/558312251.db2.gz AYTBQAZXURGCNF-GFCCVEGCSA-N 0 0 406.460 2.671 40 0 HFABRN O=C(Nc1ccc(Cl)c(Cl)c1)[C@H]1CC(=O)Nc2nc(N3CCCC3)[nH]c(=O)c21 ZINC000019961234 558315798 /nfs/dbraw/zinc/31/57/98/558315798.db2.gz WZZORUWBVFSFGR-JTQLQIEISA-N 0 0 422.272 2.741 40 0 HFABRN O=C(Nc1cccc2ccccc21)[C@@H]1CC(=O)Nc2nc(N3CCCC3)[nH]c(=O)c21 ZINC000019961246 558315869 /nfs/dbraw/zinc/31/58/69/558315869.db2.gz SZYZDXSFLRIYFU-OAHLLOKOSA-N 0 0 403.442 2.588 40 0 HFABRN COc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H]2CCCc3ccccc32)cc1OC ZINC000020013071 558319253 /nfs/dbraw/zinc/31/92/53/558319253.db2.gz RDQXTTRYFFYKIX-SFHVURJKSA-N 0 0 418.515 2.518 40 0 HFABRN CCOc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccc(F)cc2)cc1Cl ZINC000020015304 558319758 /nfs/dbraw/zinc/31/97/58/558319758.db2.gz SZXZSZSGUAGZAH-UHFFFAOYSA-N 0 0 414.886 2.815 40 0 HFABRN CCOc1ccc(S(=O)(=O)N(CC)CC(=O)NCc2ccc(F)cc2)cc1C ZINC000020015645 558319764 /nfs/dbraw/zinc/31/97/64/558319764.db2.gz FASRGNOUPQFXBA-UHFFFAOYSA-N 0 0 408.495 2.860 40 0 HFABRN Cc1ccc2c(c1)N[C@@]1(CCC(=O)N([C@H](C)C(=O)N3CCCCCC3)CC1)NC2=O ZINC000012086521 558321874 /nfs/dbraw/zinc/32/18/74/558321874.db2.gz GKZXLVHXXVIHRG-HXOBKFHXSA-N 0 0 412.534 2.650 40 0 HFABRN Cc1ccc([C@H](C)NC(=O)CN(c2ccc3c(c2)OCO3)S(C)(=O)=O)c(C)c1 ZINC000020046494 558327632 /nfs/dbraw/zinc/32/76/32/558327632.db2.gz XJJXSSLJNITLIL-HNNXBMFYSA-N 0 0 404.488 2.676 40 0 HFABRN COc1ccccc1CCNC(=O)Cn1nc(C)n2c3cc(C)sc3cc2c1=O ZINC000012115376 558327739 /nfs/dbraw/zinc/32/77/39/558327739.db2.gz ZGMWHTLODUCKFV-UHFFFAOYSA-N 0 0 410.499 2.695 40 0 HFABRN COc1ccc(-c2cc(C(=O)N3CCC4(CC3)Nc3ccccc3C(=O)N4)[nH]n2)cc1 ZINC000012116287 558328573 /nfs/dbraw/zinc/32/85/73/558328573.db2.gz JZQPJAVUVOXKGN-UHFFFAOYSA-N 0 0 417.469 2.873 40 0 HFABRN COc1ccc(NC(=O)C2=C(C)c3cc(OC)c(OC)cc3N(C)S2(=O)=O)cc1 ZINC000020063946 558330189 /nfs/dbraw/zinc/33/01/89/558330189.db2.gz DVDCYRJRDXQHKG-UHFFFAOYSA-N 0 0 418.471 2.862 40 0 HFABRN CS(=O)(=O)c1cncnc1[C@@H]1CCCN(C(=O)Cc2c(F)cccc2Cl)C1 ZINC000012128412 558331851 /nfs/dbraw/zinc/33/18/51/558331851.db2.gz CURLFGYKUODDTJ-GFCCVEGCSA-N 0 0 411.886 2.621 40 0 HFABRN Cc1noc(C)c1CCC(=O)N[C@@H](C)Cn1nc2c(C)cc3ccccc3n2c1=O ZINC000012146394 558337689 /nfs/dbraw/zinc/33/76/89/558337689.db2.gz DMWTUQOMEGDYLK-AWEZNQCLSA-N 0 0 407.474 2.700 40 0 HFABRN CC(=O)c1[nH]c(C)c(C(=O)NCCn2nc3c(C)cc4ccc(C)cc4n3c2=O)c1C ZINC000012146437 558337889 /nfs/dbraw/zinc/33/78/89/558337889.db2.gz UPFAQDIOFANXPX-UHFFFAOYSA-N 0 0 419.485 2.844 40 0 HFABRN CC(=O)c1sc(C2CCN(C(=O)Cc3ccc(-n4nnnc4C)cc3)CC2)nc1C ZINC000012186171 558345511 /nfs/dbraw/zinc/34/55/11/558345511.db2.gz FSKTXXAWJJCTRL-UHFFFAOYSA-N 0 0 424.530 2.887 40 0 HFABRN O=C(CC1CCCC1)N1CCC(O)(Cn2cnc3cc(Cl)ccc3c2=O)CC1 ZINC000012187104 558346028 /nfs/dbraw/zinc/34/60/28/558346028.db2.gz FIPMOUWWQXBBCV-UHFFFAOYSA-N 0 0 403.910 2.984 40 0 HFABRN COc1ccc(S(=O)(=O)N2CCC[C@@H]3CN(C(=O)c4cccc(F)c4)C[C@@H]32)cc1 ZINC000012188171 558347122 /nfs/dbraw/zinc/34/71/22/558347122.db2.gz GEBVPWCHNOJXGQ-UZLBHIALSA-N 0 0 418.490 2.760 40 0 HFABRN Cc1ccc(CSCCNC(=O)c2ccc(N(C)S(=O)(=O)N(C)C)cc2)cc1 ZINC000020245593 558351368 /nfs/dbraw/zinc/35/13/68/558351368.db2.gz FIHPPRVKKUFEKI-UHFFFAOYSA-N 0 0 421.588 2.901 40 0 HFABRN CCOc1ccc(O[C@@H](C)C(=O)N2CCC(c3nn(C)c4nccnc34)CC2)cc1 ZINC000012228592 558357288 /nfs/dbraw/zinc/35/72/88/558357288.db2.gz QTAPQLOPAMSWGU-HNNXBMFYSA-N 0 0 409.490 2.936 40 0 HFABRN Cc1cc(C(=O)N2CCN(S(=O)(=O)c3cc(Cl)cnc3C)CC2)sc1C ZINC000012235154 558358490 /nfs/dbraw/zinc/35/84/90/558358490.db2.gz PGUVIRODZIOSFT-UHFFFAOYSA-N 0 0 413.952 2.868 40 0 HFABRN O=S(=O)(c1ccc(Cl)s1)N1CCC(O)(Cn2ccc3ccncc32)CC1 ZINC000012259043 558363154 /nfs/dbraw/zinc/36/31/54/558363154.db2.gz CRFSYROFFBBFQI-UHFFFAOYSA-N 0 0 411.936 2.967 40 0 HFABRN Cc1nccn1-c1ccc(CNC(=O)[C@@H](C)N(c2ccccc2)S(C)(=O)=O)cc1 ZINC000020452279 558366625 /nfs/dbraw/zinc/36/66/25/558366625.db2.gz WYCFFOKRFMIHNS-MRXNPFEDSA-N 0 0 412.515 2.652 40 0 HFABRN Cc1ccccc1[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)N(C)C)C1)c1ccccc1 ZINC000020454611 558368601 /nfs/dbraw/zinc/36/86/01/558368601.db2.gz PGCRKRMDDMOXCN-CTNGQTDRSA-N 0 0 415.559 2.719 40 0 HFABRN CC[C@H](C(=O)NCc1ccc(OC)c(OC)c1)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000020457221 558370465 /nfs/dbraw/zinc/37/04/65/558370465.db2.gz UKYNNMIRBIXTSP-GOSISDBHSA-N 0 0 420.531 2.873 40 0 HFABRN CC[C@@H](C(=O)NCc1ccc(OC)c(OC)c1)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000020457222 558370496 /nfs/dbraw/zinc/37/04/96/558370496.db2.gz UKYNNMIRBIXTSP-SFHVURJKSA-N 0 0 420.531 2.873 40 0 HFABRN CS(=O)(=O)N1C[C@H](C(=O)N2CCC(Cc3ccccc3)CC2)Oc2ccccc21 ZINC000020460579 558372585 /nfs/dbraw/zinc/37/25/85/558372585.db2.gz HSKUBWLKINCYMU-OAQYLSRUSA-N 0 0 414.527 2.695 40 0 HFABRN CC(=O)c1cccc(NC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)c1 ZINC000020460754 558372787 /nfs/dbraw/zinc/37/27/87/558372787.db2.gz DNRVGGWSULWUIY-KRWDZBQOSA-N 0 0 408.863 2.708 40 0 HFABRN CCOc1ccccc1CNC(=O)[C@@H](C)N(c1ccc(OC)cc1)S(C)(=O)=O ZINC000020460624 558372816 /nfs/dbraw/zinc/37/28/16/558372816.db2.gz JBDNIQSLKBEPPD-OAHLLOKOSA-N 0 0 406.504 2.565 40 0 HFABRN COc1ccc(N([C@H](C)C(=O)NCc2ccc(OC(C)C)cc2)S(C)(=O)=O)cc1 ZINC000020481733 558375250 /nfs/dbraw/zinc/37/52/50/558375250.db2.gz ABMBRAQGODYAKJ-MRXNPFEDSA-N 0 0 420.531 2.953 40 0 HFABRN CCOc1ccc(CNS(=O)(=O)Cc2ccc(C(=O)OC)cc2)cc1OCC ZINC000020486832 558376726 /nfs/dbraw/zinc/37/67/26/558376726.db2.gz YRHPNPUNLMTIHY-UHFFFAOYSA-N 0 0 407.488 2.890 40 0 HFABRN O=C(CC[C@H]1CCCO1)N1CCC([C@@H]2C[C@H](C(F)(F)F)n3ncnc3N2)CC1 ZINC000012407838 558398769 /nfs/dbraw/zinc/39/87/69/558398769.db2.gz TZQIJLIPOGKOLP-QLFBSQMISA-N 0 0 401.433 2.764 40 0 HFABRN CCOC(=O)[C@H]1C([O-])=NC(N2CCc3ccccc3C2)=[NH+][C@@H]1c1ccccc1OCC ZINC000020801744 558415514 /nfs/dbraw/zinc/41/55/14/558415514.db2.gz UTNCZXYGWCPGBY-NHCUHLMSSA-N 0 0 421.497 2.850 40 0 HFABRN CC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc(N4CCCC4=O)c(C)c3)ccc21 ZINC000012652636 558443998 /nfs/dbraw/zinc/44/39/98/558443998.db2.gz PVOWUIMKJGXDFX-UHFFFAOYSA-N 0 0 413.499 2.832 40 0 HFABRN Cc1cccc(OCCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)c1 ZINC000021636691 558444077 /nfs/dbraw/zinc/44/40/77/558444077.db2.gz QLANLFWCZVLVEW-MRXNPFEDSA-N 0 0 408.545 2.652 40 0 HFABRN COc1ccccc1CN(C)C(=O)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000021922937 558455661 /nfs/dbraw/zinc/45/56/61/558455661.db2.gz FBYGMJHDZQRRIA-MRXNPFEDSA-N 0 0 408.545 2.816 40 0 HFABRN COc1ccc(C(=O)NCCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 ZINC000022227016 558467155 /nfs/dbraw/zinc/46/71/55/558467155.db2.gz FITMVGUPBHKSAD-UHFFFAOYSA-N 0 0 402.516 2.842 40 0 HFABRN COc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2ccccc2OC)c1 ZINC000022229897 558468873 /nfs/dbraw/zinc/46/88/73/558468873.db2.gz GEAWJKGJMVMHSX-QGZVFWFLSA-N 0 0 404.488 2.804 40 0 HFABRN COc1ccc(C)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCCC1 ZINC000022246839 558472235 /nfs/dbraw/zinc/47/22/35/558472235.db2.gz NXXUMSUJIGERLP-SFHVURJKSA-N 0 0 402.516 2.516 40 0 HFABRN CCN(CC)S(=O)(=O)c1cc(Cl)ccc1OCC(=O)NCCCOC(C)C ZINC000022248929 558472877 /nfs/dbraw/zinc/47/28/77/558472877.db2.gz SVFNSINGXOCVOJ-UHFFFAOYSA-N 0 0 420.959 2.681 40 0 HFABRN CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)cc1 ZINC000022271150 558475368 /nfs/dbraw/zinc/47/53/68/558475368.db2.gz CMWIDDIFEWUTKF-IBGZPJMESA-N 0 0 404.532 2.890 40 0 HFABRN COc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000022272487 558475521 /nfs/dbraw/zinc/47/55/21/558475521.db2.gz YLHRIYDVCBKVRA-LBPRGKRZSA-N 0 0 414.886 2.986 40 0 HFABRN COc1ccc(N(CC(=O)N[C@@H]2CCCc3ccccc32)S(C)(=O)=O)c(OC)c1 ZINC000022333731 558480628 /nfs/dbraw/zinc/48/06/28/558480628.db2.gz NBUDYJNKRJPJGJ-GOSISDBHSA-N 0 0 418.515 2.664 40 0 HFABRN Cc1ccc(Cl)cc1N(CC(=O)NCCN(C)c1ccccc1)S(C)(=O)=O ZINC000022336900 558481486 /nfs/dbraw/zinc/48/14/86/558481486.db2.gz WUAABDZVWCFBJR-UHFFFAOYSA-N 0 0 409.939 2.667 40 0 HFABRN Cc1ccc([C@H](C)NC(=O)CN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)c(C)c1 ZINC000022372909 558483814 /nfs/dbraw/zinc/48/38/14/558483814.db2.gz NXOLXJUSGYSUOX-INIZCTEOSA-N 0 0 418.515 2.718 40 0 HFABRN Cc1ccc(C)c([C@@H](C)NC(=O)CN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)c1 ZINC000022372458 558483895 /nfs/dbraw/zinc/48/38/95/558483895.db2.gz RTCKLKLVLBUSPP-MRXNPFEDSA-N 0 0 418.515 2.718 40 0 HFABRN COC(=O)c1ccccc1NC(=O)CN(c1c(C)cc(C)cc1C)S(C)(=O)=O ZINC000022381709 558484733 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CCOc1ccc(CNC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1 ZINC000038756693 558814936 /nfs/dbraw/zinc/81/49/36/558814936.db2.gz FJYZVKNOQRZMFU-GOSISDBHSA-N 0 0 424.906 2.582 40 0 HFABRN CCN(CC(=O)NCCCOC(C)C)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000039985445 558823377 /nfs/dbraw/zinc/82/33/77/558823377.db2.gz BATAUZGPDYXPJU-UHFFFAOYSA-N 0 0 411.351 2.935 40 0 HFABRN CSc1nnc(NC(=O)COc2ccc(I)cc2)s1 ZINC000039989085 558824204 /nfs/dbraw/zinc/82/42/04/558824204.db2.gz PREJVCCVGAKAFM-UHFFFAOYSA-N 0 0 407.258 2.882 40 0 HFABRN O=C1C[C@H](N2CCN(c3ccc(F)cc3)CC2)C(=O)N1c1ccc(OC(F)F)cc1 ZINC000017877443 558828408 /nfs/dbraw/zinc/82/84/08/558828408.db2.gz ZWWDUNYEXHFMBT-SFHVURJKSA-N 0 0 419.403 2.881 40 0 HFABRN COc1ccccc1[C@H](C)NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCC2)c1 ZINC000017970631 558828994 /nfs/dbraw/zinc/82/89/94/558828994.db2.gz FUTGHNVNVWFYQU-HNNXBMFYSA-N 0 0 418.515 2.979 40 0 HFABRN Cc1ccc(S(=O)(=O)N(C)CC(=O)NCCSCc2ccccc2F)cc1 ZINC000018160608 558832430 /nfs/dbraw/zinc/83/24/30/558832430.db2.gz 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O=C(c1ccc(F)c(Cl)c1)N1CC[C@H](c2nc(-c3ccc[nH]c3=O)cc(=O)[nH]2)C1 ZINC000019293201 558864967 /nfs/dbraw/zinc/86/49/67/558864967.db2.gz PTPNZZXHXYNOSO-LBPRGKRZSA-N 0 0 414.824 2.960 40 0 HFABRN O=C(c1cnccn1)N1CCc2nc(N3CCCC3)nc(Nc3cccc(F)c3)c2C1 ZINC000019293969 558865473 /nfs/dbraw/zinc/86/54/73/558865473.db2.gz FRELYIAVBBNBMI-UHFFFAOYSA-N 0 0 419.464 2.948 40 0 HFABRN O=C(c1cn[nH]n1)N1CCc2nc(-c3ccncc3)nc(Nc3cccc(F)c3)c2C1 ZINC000019294019 558865644 /nfs/dbraw/zinc/86/56/44/558865644.db2.gz BBOLZTZWJXLORS-UHFFFAOYSA-N 0 0 416.420 2.738 40 0 HFABRN Cc1cc(S(=O)(=O)NC[C@H]2CCCO2)c(Br)cc1Br ZINC000054363017 558867850 /nfs/dbraw/zinc/86/78/50/558867850.db2.gz KUUQSKHUVXQZBO-SECBINFHSA-N 0 0 413.131 2.977 40 0 HFABRN NC(=O)[C@]1(Cc2cccc(-c3ccncc3)c2)CN(C(=O)C2CCCCC2)CCO1 ZINC000019331757 558868604 /nfs/dbraw/zinc/86/86/04/558868604.db2.gz LAKHIJSVHKJBMU-DEOSSOPVSA-N 0 0 407.514 2.954 40 0 HFABRN O=C(CN1c2c(cnn2-c2ccc(Cl)cc2)C2=NCCN2C1=O)N1CCCCC1 ZINC000019337150 558870429 /nfs/dbraw/zinc/87/04/29/558870429.db2.gz SGVSFMDOTUQMCA-UHFFFAOYSA-N 0 0 412.881 2.540 40 0 HFABRN O=C(Nc1ccc(N2CCCCC2)c2nonc21)[C@@H]1CC(=O)N(Cc2cccnc2)C1 ZINC000019338821 558870827 /nfs/dbraw/zinc/87/08/27/558870827.db2.gz JPNBXQFIPLCFRF-MRXNPFEDSA-N 0 0 420.473 2.595 40 0 HFABRN O=C(Nc1ccc(N2CCCCC2)c2nonc21)[C@H]1CC(=O)N(Cc2cccnc2)C1 ZINC000019338826 558870862 /nfs/dbraw/zinc/87/08/62/558870862.db2.gz JPNBXQFIPLCFRF-INIZCTEOSA-N 0 0 420.473 2.595 40 0 HFABRN O=C(COc1ccccc1F)N1CCC(c2cc(C(F)F)n3ncnc3n2)CC1 ZINC000019350173 558875470 /nfs/dbraw/zinc/87/54/70/558875470.db2.gz KBXLUHIUZNCNLB-UHFFFAOYSA-N 0 0 405.380 2.986 40 0 HFABRN O=C(Cn1nnc2ccccc21)N1C[C@@H](c2ccccc2F)[C@]2(C1)CCCCC(=O)N2 ZINC000019368210 558877297 /nfs/dbraw/zinc/87/72/97/558877297.db2.gz IHDPYTWHYOKFIJ-GAJHUEQPSA-N 0 0 421.476 2.625 40 0 HFABRN COc1cc(C)c(S(=O)(=O)NCc2cccc(CN3CCOCC3)c2)cc1C ZINC000055259380 558877920 /nfs/dbraw/zinc/87/79/20/558877920.db2.gz BJPXXTIMYUMFEY-UHFFFAOYSA-N 0 0 404.532 2.623 40 0 HFABRN CC(=O)N1CCC(C(=O)N[C@H](c2cc(N(C)C)nc(-c3ccncc3)n2)C(C)C)CC1 ZINC000019445681 558885703 /nfs/dbraw/zinc/88/57/03/558885703.db2.gz VFKPEPQZBIPSDI-NRFANRHFSA-N 0 0 424.549 2.676 40 0 HFABRN CC(C)[C@@H](NC(=O)c1cnn2cc(CCO)cnc12)c1ccc2c(c1)OCCCO2 ZINC000019445855 558885953 /nfs/dbraw/zinc/88/59/53/558885953.db2.gz GKOORJDLRXRKIN-HXUWFJFHSA-N 0 0 410.474 2.553 40 0 HFABRN CNc1cc(C2CCN(C(=O)[C@H]3CC(=O)N(C(C)C)C3)CC2)nc(-c2cccnc2)n1 ZINC000019447650 558886675 /nfs/dbraw/zinc/88/66/75/558886675.db2.gz NYVZYUGDGGIHHI-SFHVURJKSA-N 0 0 422.533 2.543 40 0 HFABRN COCC(=O)N1CCO[C@](Cc2ccccc2-c2ccccc2)(C(=O)NC(C)C)C1 ZINC000019449689 558888181 /nfs/dbraw/zinc/88/81/81/558888181.db2.gz QQLYYQSKDZIDKK-DEOSSOPVSA-N 0 0 410.514 2.665 40 0 HFABRN CC(C)NC(=O)[C@@H]1[C@@H]2C(=O)NN=C(c3ccccc3NC(=O)C3CCCCC3)[C@]12C ZINC000019450034 558888469 /nfs/dbraw/zinc/88/84/69/558888469.db2.gz DJDIBWOLLWBWNR-YZZKKUAISA-N 0 0 410.518 2.816 40 0 HFABRN 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ZINC000019582429 558937277 /nfs/dbraw/zinc/93/72/77/558937277.db2.gz KGVMSTDKFKBEBU-FQEVSTJZSA-N 0 0 418.497 2.825 40 0 HFABRN CCCC(=O)N1CCC[C@@H](c2nc(N3CCN(C)CC3)ncc2-c2cccnc2)C1 ZINC000072338451 558938251 /nfs/dbraw/zinc/93/82/51/558938251.db2.gz USGUCNKZFHIZJX-LJQANCHMSA-N 0 0 408.550 2.797 40 0 HFABRN Cc1nc2sccn2c1CN1CCC([C@@H]2Nc3ccccc3S(=O)(=O)N2)CC1 ZINC000072338950 558938455 /nfs/dbraw/zinc/93/84/55/558938455.db2.gz NOLUSDYKESZUOU-GOSISDBHSA-N 0 0 417.560 2.646 40 0 HFABRN COc1ccc2c(c1)O[C@@]1(C[C@H]3CC[C@@H]1C[C@@H]3C(=O)NCCc1ccncc1)NC2=O ZINC000072339259 558938692 /nfs/dbraw/zinc/93/86/92/558938692.db2.gz CTZXJNXWVXWUSZ-XBFDIVRLSA-N 0 0 421.497 2.704 40 0 HFABRN CC(C)N(C(=O)CN1c2c(cnn2-c2ccc(F)cc2)C2=NCCN2C1=O)C(C)C ZINC000072347782 558945072 /nfs/dbraw/zinc/94/50/72/558945072.db2.gz JIHQRPQPDTYMIL-UHFFFAOYSA-N 0 0 412.469 2.659 40 0 HFABRN Cc1ccc(C)c(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCC[C@H](C)C4)[nH]c(=O)c32)c1 ZINC000040388941 558947344 /nfs/dbraw/zinc/94/73/44/558947344.db2.gz 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COCCN1c2cccnc2-n2cccc2[C@@]12CCN(C(=O)c1scnc1C)C2 ZINC000585107425 559027834 /nfs/dbraw/zinc/02/78/34/559027834.db2.gz VOHIMFMPYVAVSY-NRFANRHFSA-N 0 0 409.515 2.845 40 0 HFABRN COc1cc(OC)cc(C(=O)NC[C@H]2OCCc3cn(Cc4ccccc4)nc32)c1 ZINC000585111585 559030552 /nfs/dbraw/zinc/03/05/52/559030552.db2.gz XFLHERAAEIHAMD-OAQYLSRUSA-N 0 0 407.470 2.992 40 0 HFABRN COc1ccc(-c2ccc3c([C@@H]4CN(C(=O)C5CC(O)C5)CCO4)ncn3c2)cc1 ZINC000585113126 559030938 /nfs/dbraw/zinc/03/09/38/559030938.db2.gz FQSBYQMWEJABBU-NGICGMGXSA-N 0 0 407.470 2.681 40 0 HFABRN CN(C)c1ccc(C(=O)N2CCc3ncc(-c4cnn(CC5CC5)c4)n3CC2)cc1 ZINC000585111291 559031836 /nfs/dbraw/zinc/03/18/36/559031836.db2.gz MUHZWZRISQHBLB-UHFFFAOYSA-N 0 0 404.518 2.921 40 0 HFABRN COCCN(CCOC)C(=O)c1cc2c(c3ccccc3n2C)n1-c1ncccn1 ZINC000096037299 559091076 /nfs/dbraw/zinc/09/10/76/559091076.db2.gz PZMNZKICCGATMY-UHFFFAOYSA-N 0 0 407.474 2.647 40 0 HFABRN O=C(C[C@H]1CC2(CCN(C(=O)c3ccncc3)CC2)c2ccccc21)N1CCOCC1 ZINC000096052828 559092458 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410.514 2.847 40 0 HFABRN COc1cccc(CN2C[C@H]3CCN(C(=O)c4ccccc4)CC[C@H]3S2(=O)=O)c1 ZINC000096145374 559097224 /nfs/dbraw/zinc/09/72/24/559097224.db2.gz PBBVNRDLJRVTDE-TZIWHRDSSA-N 0 0 414.527 2.762 40 0 HFABRN COc1cccc(CNC(=O)c2nc3c(s2)CCN(C(=O)c2cccnc2)CC3)c1 ZINC000096146944 559098143 /nfs/dbraw/zinc/09/81/43/559098143.db2.gz VRODLZMGYDTWGT-UHFFFAOYSA-N 0 0 422.510 2.718 40 0 HFABRN Cc1cnc(CNC(=O)[C@H]2c3c(ncn3C(C)C)CCN2Cc2ccccc2)cn1 ZINC000096147217 559098252 /nfs/dbraw/zinc/09/82/52/559098252.db2.gz SHYGSRUOBXNHNM-JOCHJYFZSA-N 0 0 404.518 2.978 40 0 HFABRN Cc1nc(-c2nc(C(=O)N3CCN(C)CC3)c3ccccn32)cn1Cc1ccccc1 ZINC000096155176 559099488 /nfs/dbraw/zinc/09/94/88/559099488.db2.gz XRRCBQWKGKMVTL-UHFFFAOYSA-N 0 0 414.513 2.942 40 0 HFABRN Cc1ccc(C(=O)N2CCC[C@]3(CC(C(=O)NCc4cccnc4)=NO3)C2)cc1C ZINC000096225082 559102221 /nfs/dbraw/zinc/10/22/21/559102221.db2.gz FOMFQOPHEIQMGZ-QHCPKHFHSA-N 0 0 406.486 2.766 40 0 HFABRN O=C(NCc1cccnc1)C1=NO[C@]2(C1)CCCN(C(=O)Nc1ccc(F)cc1)C2 ZINC000096225075 559102229 /nfs/dbraw/zinc/10/22/29/559102229.db2.gz GXZGXBFKJSNLSF-NRFANRHFSA-N 0 0 411.437 2.680 40 0 HFABRN Cc1nc(CN2CCN(C)C(=O)C23CCN(C(=O)NC2CCCCC2)CC3)cs1 ZINC000096230316 559102814 /nfs/dbraw/zinc/10/28/14/559102814.db2.gz QFNILVOLRYBAFH-UHFFFAOYSA-N 0 0 419.595 2.602 40 0 HFABRN CN(C)C(=O)[C@@]12CN(c3ccccn3)C[C@@H]1CN(C(=O)NC1CCCCC1)CCC2 ZINC000096251284 559105389 /nfs/dbraw/zinc/10/53/89/559105389.db2.gz KKXRAJZCQZSXSN-MBSDFSHPSA-N 0 0 413.566 2.731 40 0 HFABRN O=C(c1ccc(C(F)(F)F)cc1)N1CCn2nnc(COc3cccnc3)c2C1 ZINC000096256020 559105916 /nfs/dbraw/zinc/10/59/16/559105916.db2.gz HLNRRFYEOSZKRE-UHFFFAOYSA-N 0 0 403.364 2.927 40 0 HFABRN Cc1cc(C)nc(Nc2cc(C[C@H]3CCCN(C(=O)C=Cc4c[nH]cn4)C3)ncn2)n1 ZINC000585291065 559123622 /nfs/dbraw/zinc/12/36/22/559123622.db2.gz JCMUMBCERYRVOO-FUTAKVPZSA-N 0 0 418.505 2.845 40 0 HFABRN CCN(CC)C(=O)c1cnc(C)nc1[C@H]1CC[C@H](CNC(=O)[C@H]2CCCO2)CC1 ZINC000100205086 559131826 /nfs/dbraw/zinc/13/18/26/559131826.db2.gz JPGKYYDVAVOWBF-ZIFCJYIRSA-N 0 0 402.539 2.836 40 0 HFABRN COc1ccccc1CC(=O)N[C@@H](C)c1cc(=O)n2nc(-c3cccnc3)cc2[nH]1 ZINC000100744395 559139554 /nfs/dbraw/zinc/13/95/54/559139554.db2.gz CKHSAJUVWIEGQP-AWEZNQCLSA-N 0 0 403.442 2.925 40 0 HFABRN O=C(NC[C@H]1CC[C@H](C(=O)NCCN2CCc3ccccc32)CC1)c1cccnc1 ZINC000100766644 559139938 /nfs/dbraw/zinc/13/99/38/559139938.db2.gz LNYWCOYNGFTMAI-PUZFROQSSA-N 0 0 406.530 2.797 40 0 HFABRN Cc1cccc(C(C)C)c1NC(=O)C(=O)C=C([O-])c1c(C)[n+]([O-])c2ccccc2[n+]1[O-] ZINC000102945643 559153688 /nfs/dbraw/zinc/15/36/88/559153688.db2.gz ICJVDDUMKKDRHG-UHFFFAOYSA-N 0 0 421.453 2.627 40 0 HFABRN COc1cccc(NC(=O)c2ccc3nnc([C@@H]4CN(C)CCN4C(C)C)n3c2)c1 ZINC000107281557 559165074 /nfs/dbraw/zinc/16/50/74/559165074.db2.gz KRDJLYRCCOLXJZ-IBGZPJMESA-N 0 0 408.506 2.687 40 0 HFABRN COC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccc(F)cc1 ZINC000113877282 559181834 /nfs/dbraw/zinc/18/18/34/559181834.db2.gz DONRWKDFSXFXHP-UHFFFAOYSA-N 0 0 402.241 2.957 40 0 HFABRN COc1cccc(CNS(=O)(=O)c2ccc(OC)c(C(=O)N3CCCCC3)c2)c1 ZINC000113939973 559182418 /nfs/dbraw/zinc/18/24/18/559182418.db2.gz IRRMJIQRLZTNJN-UHFFFAOYSA-N 0 0 418.515 2.808 40 0 HFABRN CC(C)Oc1ccc(CNC(=O)CN(c2ccccc2F)S(=O)(=O)N(C)C)cc1 ZINC000113947340 559182659 /nfs/dbraw/zinc/18/26/59/559182659.db2.gz QPBIFZOKCJWPOI-UHFFFAOYSA-N 0 0 423.510 2.542 40 0 HFABRN CC[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1)c1ccccc1 ZINC000113959078 559183559 /nfs/dbraw/zinc/18/35/59/559183559.db2.gz QCLHIAMCADGSQV-FQEVSTJZSA-N 0 0 401.532 2.504 40 0 HFABRN CCOc1ccc(CNC(=O)CCCN(c2cccc(OC)c2)S(C)(=O)=O)cc1 ZINC000113966732 559184656 /nfs/dbraw/zinc/18/46/56/559184656.db2.gz NDEKAZJJFJHZKB-UHFFFAOYSA-N 0 0 420.531 2.957 40 0 HFABRN CN(C[C@@H](O)c1ccc(O)cc1)C(=O)CCN1C(=O)S/C(=C\c2ccco2)C1=O ZINC000033582953 559215667 /nfs/dbraw/zinc/21/56/67/559215667.db2.gz KLJGCLJFSYNJHZ-FEEIMYBTSA-N 0 0 416.455 2.604 40 0 HFABRN COc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)NC3CCCCCC3)CC2)c1 ZINC000000811809 559280859 /nfs/dbraw/zinc/28/08/59/559280859.db2.gz JNCCDDMSVQFVJZ-UHFFFAOYSA-N 0 0 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ZINC000220458031 568505800 /nfs/dbraw/zinc/50/58/00/568505800.db2.gz OTJLJDODHIIXIS-CQSZACIVSA-N 0 0 412.458 2.623 40 0 HFABRN Cc1ccc(OC[C@@H](C)NC(=O)[C@@H](C)N(c2cccc(F)c2)S(C)(=O)=O)cc1 ZINC000220488415 568506089 /nfs/dbraw/zinc/50/60/89/568506089.db2.gz JKHMVHZVIUNCCE-HZPDHXFCSA-N 0 0 408.495 2.872 40 0 HFABRN CC[C@@H](C(=O)Nc1ccccc1C(=O)OC)N(c1ccccc1F)S(C)(=O)=O ZINC000220586955 568507155 /nfs/dbraw/zinc/50/71/55/568507155.db2.gz LKQYNPCTHLDGPR-INIZCTEOSA-N 0 0 408.451 2.796 40 0 HFABRN CC[C@H](C(=O)NCCc1ccc(OC)cc1)N(c1ccccc1F)S(C)(=O)=O ZINC000220589839 568507186 /nfs/dbraw/zinc/50/71/86/568507186.db2.gz ZKJPFQSHFUCXBV-GOSISDBHSA-N 0 0 408.495 2.738 40 0 HFABRN CC[C@@H](C(=O)NCCOc1ccc(C)cc1)N(c1ccccc1F)S(C)(=O)=O ZINC000220602039 568507287 /nfs/dbraw/zinc/50/72/87/568507287.db2.gz CGHGTTKMOOZOQL-SFHVURJKSA-N 0 0 408.495 2.874 40 0 HFABRN CC[C@H](C(=O)NCc1ccccc1OC)N(c1cccc(OC)c1)S(C)(=O)=O ZINC000220615928 568507536 /nfs/dbraw/zinc/50/75/36/568507536.db2.gz WDPCTBSZPBHQLE-GOSISDBHSA-N 0 0 406.504 2.565 40 0 HFABRN CCOc1cccc(CNC(=O)[C@H](CC)N(c2ccc(OC)cc2)S(C)(=O)=O)c1 ZINC000220656142 568508052 /nfs/dbraw/zinc/50/80/52/568508052.db2.gz DKOPEHUHOXPVNA-FQEVSTJZSA-N 0 0 420.531 2.955 40 0 HFABRN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1cccc(N(C)S(C)(=O)=O)c1 ZINC000222411841 568515417 /nfs/dbraw/zinc/51/54/17/568515417.db2.gz PMMFTULHGNFGSJ-CQSZACIVSA-N 0 0 403.504 2.863 40 0 HFABRN Cc1ccc(C(=O)N(C)Cc2nc(-c3ccccc3)no2)cc1N(C)S(C)(=O)=O ZINC000222466185 568516166 /nfs/dbraw/zinc/51/61/66/568516166.db2.gz PFHDVHJPJJRIHV-UHFFFAOYSA-N 0 0 414.487 2.713 40 0 HFABRN CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N(C)Cc1ccccc1OC ZINC000222540747 568517685 /nfs/dbraw/zinc/51/76/85/568517685.db2.gz KAEUNTHMEDVMNE-LJQANCHMSA-N 0 0 420.531 2.907 40 0 HFABRN CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N(C)Cc1ccccc1OC ZINC000222540808 568517800 /nfs/dbraw/zinc/51/78/00/568517800.db2.gz KAEUNTHMEDVMNE-IBGZPJMESA-N 0 0 420.531 2.907 40 0 HFABRN COc1ccc(OC[C@H](C)NC(=O)c2cccc(N3CCCCS3(=O)=O)c2)cc1 ZINC000222557126 568518269 /nfs/dbraw/zinc/51/82/69/568518269.db2.gz XGDRBBLULTTXND-INIZCTEOSA-N 0 0 418.515 2.823 40 0 HFABRN CN(CCCNC(=O)c1ccc(N2CCCCS2(=O)=O)cc1)c1ccccc1 ZINC000222593696 568519688 /nfs/dbraw/zinc/51/96/88/568519688.db2.gz UEUGWORJCSYDPJ-UHFFFAOYSA-N 0 0 401.532 2.873 40 0 HFABRN COc1ccc(-c2noc(CNC(=O)CCc3ccc4c(c3)OCO4)n2)c(OC)c1 ZINC000222655133 568522451 /nfs/dbraw/zinc/52/24/51/568522451.db2.gz DMRVQRPUOYASEK-UHFFFAOYSA-N 0 0 411.414 2.732 40 0 HFABRN Cc1ccc(OCCNC(=O)CCCN(c2ccccc2F)S(C)(=O)=O)cc1 ZINC000222658859 568522532 /nfs/dbraw/zinc/52/25/32/568522532.db2.gz AQJCFWPGASXSDL-UHFFFAOYSA-N 0 0 408.495 2.876 40 0 HFABRN CCc1ccccc1N(CC(=O)N[C@@H](C)c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000222666527 568522869 /nfs/dbraw/zinc/52/28/69/568522869.db2.gz CXBOUEJGPOZSBT-HNNXBMFYSA-N 0 0 418.515 2.664 40 0 HFABRN CS(=O)(=O)N(CCCC(=O)N1CCc2ccccc21)c1ccc2c(c1)OCCO2 ZINC000222673410 568523140 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568536433 /nfs/dbraw/zinc/53/64/33/568536433.db2.gz KVEUINPYHGTCKU-UHFFFAOYSA-N 0 0 414.527 2.905 40 0 HFABRN COc1ccc(OC)c([C@@H](C)NC(=O)CN(c2ccc(C)cc2)S(C)(=O)=O)c1 ZINC000223161018 568539715 /nfs/dbraw/zinc/53/97/15/568539715.db2.gz WYQUYCNWXOZGOK-OAHLLOKOSA-N 0 0 406.504 2.656 40 0 HFABRN O=C([C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1)N1CCCC1 ZINC000026113468 568539794 /nfs/dbraw/zinc/53/97/94/568539794.db2.gz RUAYSZNLSHFDPP-SFHVURJKSA-N 0 0 406.891 2.919 40 0 HFABRN CS(=O)(=O)N(CC(=O)NCCSCc1ccccc1)Cc1ccccc1F ZINC000223275692 568543878 /nfs/dbraw/zinc/54/38/78/568543878.db2.gz CWCYJPPBMQIJAJ-UHFFFAOYSA-N 0 0 410.536 2.637 40 0 HFABRN CC(C)C(=O)N(Cc1ccccc1)[C@@H](C(=O)NCCN1CCOCC1)c1ccccc1 ZINC000223350508 568546077 /nfs/dbraw/zinc/54/60/77/568546077.db2.gz FOJQVTANJPYYMQ-HSZRJFAPSA-N 0 0 423.557 2.861 40 0 HFABRN CCOC(=O)c1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(SC)cc2)cc1 ZINC000223359332 568546275 /nfs/dbraw/zinc/54/62/75/568546275.db2.gz APCZIKRERXZHER-UHFFFAOYSA-N 0 0 422.528 2.844 40 0 HFABRN COC[C@H](C)NC(=O)CSc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1 ZINC000223399819 568547520 /nfs/dbraw/zinc/54/75/20/568547520.db2.gz VVLRYCRSZIKEGI-INIZCTEOSA-N 0 0 422.572 2.751 40 0 HFABRN CC[C@H](C(=O)NC)N(CCc1ccccc1)C(=O)COc1cc(OC)cc(OC)c1 ZINC000223491097 568550390 /nfs/dbraw/zinc/55/03/90/568550390.db2.gz WSPCZKQCYKDMGR-OAQYLSRUSA-N 0 0 414.502 2.679 40 0 HFABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCCN1C(=O)c2ccccc2C1=O ZINC000223537614 568551130 /nfs/dbraw/zinc/55/11/30/568551130.db2.gz ZZVQLGZZTJERPA-QGZVFWFLSA-N 0 0 421.497 2.616 40 0 HFABRN CN([C@@H](C(=O)NCCOc1cccc2ccccc21)c1ccccc1)S(C)(=O)=O ZINC000223575101 568552079 /nfs/dbraw/zinc/55/20/79/568552079.db2.gz MFBDUCZYIJDAGG-OAQYLSRUSA-N 0 0 412.511 2.968 40 0 HFABRN CCc1ccc(OCCNC(=O)CN(c2cc(C)ccc2C)S(C)(=O)=O)cc1 ZINC000223624219 568553752 /nfs/dbraw/zinc/55/37/52/568553752.db2.gz QPRQKAPWGSMLKY-UHFFFAOYSA-N 0 0 404.532 2.827 40 0 HFABRN COc1ccc(-c2noc(CNS(=O)(=O)Cc3ccc(C)cc3)n2)cc1OC ZINC000223626733 568553886 /nfs/dbraw/zinc/55/38/86/568553886.db2.gz LYEIFVVBWFNGHJ-UHFFFAOYSA-N 0 0 403.460 2.682 40 0 HFABRN COc1ccc(-c2noc(CN(C)S(=O)(=O)Cc3ccccc3F)n2)cc1OC ZINC000223633672 568554215 /nfs/dbraw/zinc/55/42/15/568554215.db2.gz QYFWDJDIAILFOP-UHFFFAOYSA-N 0 0 421.450 2.855 40 0 HFABRN CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1Cc1cccnc1 ZINC000223646225 568554687 /nfs/dbraw/zinc/55/46/87/568554687.db2.gz VIIWHNURRRWUPE-NHCUHLMSSA-N 0 0 421.526 2.862 40 0 HFABRN CCCc1ccc(OCCNC(=O)CN(c2ccc(OC)cc2)S(C)(=O)=O)cc1 ZINC000223649057 568554933 /nfs/dbraw/zinc/55/49/33/568554933.db2.gz IVUACKFRGATUCI-UHFFFAOYSA-N 0 0 420.531 2.609 40 0 HFABRN CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1Cc1ccccn1 ZINC000223666234 568555497 /nfs/dbraw/zinc/55/54/97/568555497.db2.gz CMYRMEFRNRLDNO-RTWAWAEBSA-N 0 0 421.526 2.862 40 0 HFABRN COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1cccnc1 ZINC000223677841 568555978 /nfs/dbraw/zinc/55/59/78/568555978.db2.gz AUQMZWZXVUSLID-UXHICEINSA-N 0 0 407.499 2.803 40 0 HFABRN Cc1ccc(OCCNC(=O)CN(c2cccc(C)c2C)S(C)(=O)=O)cc1C ZINC000223702469 568556704 /nfs/dbraw/zinc/55/67/04/568556704.db2.gz UUGPDFOTIRHCKM-UHFFFAOYSA-N 0 0 404.532 2.881 40 0 HFABRN COc1cccc(-c2noc(CN(C)S(=O)(=O)c3ccc(OC)c(F)c3)n2)c1 ZINC000223774913 568558715 /nfs/dbraw/zinc/55/87/15/568558715.db2.gz CMXMEUDAKWIIOL-UHFFFAOYSA-N 0 0 407.423 2.714 40 0 HFABRN CCOc1cc(CNS(=O)(=O)c2ccc(OC)c(NC(C)=O)c2)ccc1OC ZINC000223852653 568560970 /nfs/dbraw/zinc/56/09/70/568560970.db2.gz UHVFYRDJGFGUCK-UHFFFAOYSA-N 0 0 408.476 2.539 40 0 HFABRN Cc1ccccc1OCCNC(=O)[C@@H](C)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000223896975 568562360 /nfs/dbraw/zinc/56/23/60/568562360.db2.gz FDEJBMLRUYHDSC-OAHLLOKOSA-N 0 0 410.923 2.998 40 0 HFABRN C[C@H](C(=O)NCCOc1ccc(F)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000223898774 568562362 /nfs/dbraw/zinc/56/23/62/568562362.db2.gz FXQFQNZNEHYJPJ-CYBMUJFWSA-N 0 0 414.886 2.829 40 0 HFABRN COC(=O)c1cccc(S(=O)(=O)N(C)Cc2nc(-c3cccc(C)c3)no2)c1 ZINC000223908296 568562547 /nfs/dbraw/zinc/56/25/47/568562547.db2.gz TYERRIINGTXABZ-UHFFFAOYSA-N 0 0 401.444 2.652 40 0 HFABRN CC(=O)N1CCCc2cc(S(=O)(=O)NCCOc3cccc(C)c3C)ccc21 ZINC000223965025 568564653 /nfs/dbraw/zinc/56/46/53/568564653.db2.gz XTBCUZDBAZHDSX-UHFFFAOYSA-N 0 0 402.516 2.960 40 0 HFABRN Cc1ccc(CN(CC(=O)NCCOc2cccc(C)c2C)S(C)(=O)=O)cc1 ZINC000223968967 568564816 /nfs/dbraw/zinc/56/48/16/568564816.db2.gz MXIAXPOLUUQJLH-UHFFFAOYSA-N 0 0 404.532 2.569 40 0 HFABRN Cc1ccc(N(CC(=O)NCCOc2cc(C)ccc2C)S(C)(=O)=O)c(C)c1 ZINC000223989935 568565380 /nfs/dbraw/zinc/56/53/80/568565380.db2.gz LXUMZCWZQSHLOI-UHFFFAOYSA-N 0 0 404.532 2.881 40 0 HFABRN CS(=O)(=O)N(CC(=O)NCCOc1ccccc1Cl)c1ccc(F)c(F)c1 ZINC000223991621 568565521 /nfs/dbraw/zinc/56/55/21/568565521.db2.gz LHCAZGRPFTYDEN-UHFFFAOYSA-N 0 0 418.849 2.579 40 0 HFABRN Cc1ccc(C)c(OCCNC(=O)[C@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)c1 ZINC000224004476 568565931 /nfs/dbraw/zinc/56/59/31/568565931.db2.gz UYABHTQGPCQJTA-INIZCTEOSA-N 0 0 408.495 2.792 40 0 HFABRN CCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CCc1ccc2c(c1)OCO2 ZINC000224004681 568565943 /nfs/dbraw/zinc/56/59/43/568565943.db2.gz YZMBAYPOYQNPCL-INIZCTEOSA-N 0 0 412.486 2.910 40 0 HFABRN CCOCCCNC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)cc2)c(C)c1 ZINC000224013590 568566378 /nfs/dbraw/zinc/56/63/78/568566378.db2.gz WMVUSYGGTICWHO-UHFFFAOYSA-N 0 0 406.504 2.961 40 0 HFABRN Cc1ccc(C)c(OCCNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)c1 ZINC000224051718 568567804 /nfs/dbraw/zinc/56/78/04/568567804.db2.gz TVAIRHYFKQUIRV-IBGZPJMESA-N 0 0 416.543 2.899 40 0 HFABRN Cc1ccc(C)c(OCCNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c1 ZINC000224052236 568567977 /nfs/dbraw/zinc/56/79/77/568567977.db2.gz GPYKKFJJVXNWTQ-UHFFFAOYSA-N 0 0 402.516 2.897 40 0 HFABRN Cc1cc(C)cc(OCCNC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000224097261 568569699 /nfs/dbraw/zinc/56/96/99/568569699.db2.gz HURCXEPOMSPUBT-UHFFFAOYSA-N 0 0 410.923 2.773 40 0 HFABRN CCCC[C@@H](CC)CNC(=O)[C@@H](C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000224112541 568570477 /nfs/dbraw/zinc/57/04/77/568570477.db2.gz IJKKKZRWQSOFQZ-HZPDHXFCSA-N 0 0 412.552 2.945 40 0 HFABRN Cc1ccc(OCCNC(=O)[C@@H](C)N(c2ccccc2)S(C)(=O)=O)cc1Cl ZINC000224131957 568571102 /nfs/dbraw/zinc/57/11/02/568571102.db2.gz NSWZBUNQQACOBV-OAHLLOKOSA-N 0 0 410.923 2.998 40 0 HFABRN CN(c1ccc(C(=O)NCCCn2ccnc2)cc1)S(=O)(=O)c1cccs1 ZINC000224185002 568572935 /nfs/dbraw/zinc/57/29/35/568572935.db2.gz KMISNQSSHUVAMK-UHFFFAOYSA-N 0 0 404.517 2.590 40 0 HFABRN CCS(=O)(=O)N1C[C@@H](C(=O)NCCc2ccc(Cl)cc2)Oc2ccccc21 ZINC000224226765 568574415 /nfs/dbraw/zinc/57/44/15/568574415.db2.gz DUXUNNOGJZHYQR-SFHVURJKSA-N 0 0 408.907 2.616 40 0 HFABRN Cc1cc(C)cc(O[C@@H](C)C(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)c1 ZINC000224248677 568575246 /nfs/dbraw/zinc/57/52/46/568575246.db2.gz CSUHDFCYSNXBRF-KRWDZBQOSA-N 0 0 420.531 2.516 40 0 HFABRN CCN1CCN(C(=O)c2ccc(C)c(N(C)S(=O)(=O)c3ccccc3)c2)CC1 ZINC000224295255 568576823 /nfs/dbraw/zinc/57/68/23/568576823.db2.gz FEBTYCKUXYUFIB-UHFFFAOYSA-N 0 0 401.532 2.598 40 0 HFABRN CC[C@H](C(=O)NCCOc1ccccc1C)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000224309750 568577428 /nfs/dbraw/zinc/57/74/28/568577428.db2.gz FPPHFWOBBJYSMJ-GOSISDBHSA-N 0 0 408.495 2.874 40 0 HFABRN O=C(Cc1cccc(Cl)c1)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000224343680 568578485 /nfs/dbraw/zinc/57/84/85/568578485.db2.gz DTUUVKDHUKFJPC-UHFFFAOYSA-N 0 0 422.934 2.862 40 0 HFABRN O=C(CCc1ccc(F)cc1)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000224345239 568578675 /nfs/dbraw/zinc/57/86/75/568578675.db2.gz UTSIIIDDDWCLSX-UHFFFAOYSA-N 0 0 420.506 2.738 40 0 HFABRN COc1ccc(CN(C)C(=O)CN(C)S(=O)(=O)c2ccc(SC)cc2)cc1 ZINC000224362234 568579214 /nfs/dbraw/zinc/57/92/14/568579214.db2.gz OPHSTXPUIYWTQC-UHFFFAOYSA-N 0 0 408.545 2.696 40 0 HFABRN CS(=O)(=O)N1C[C@@H](C(=O)Nc2ccc(Cc3ccncc3)cc2)Oc2ccccc21 ZINC000224389597 568579907 /nfs/dbraw/zinc/57/99/07/568579907.db2.gz OXEXOEPTPZWBLE-NRFANRHFSA-N 0 0 423.494 2.838 40 0 HFABRN CCN(Cc1ccc(C(=O)NC[C@@H]2CCCO2)cc1)S(=O)(=O)c1ccccc1 ZINC000224445696 568581519 /nfs/dbraw/zinc/58/15/19/568581519.db2.gz AKQPWSPDMQYJTH-IBGZPJMESA-N 0 0 402.516 2.806 40 0 HFABRN CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000224563960 568585270 /nfs/dbraw/zinc/58/52/70/568585270.db2.gz QZAONHZGJNUNMB-INIZCTEOSA-N 0 0 406.460 2.607 40 0 HFABRN CCOC(=O)c1ccc(N(CC(=O)OC)S(=O)(=O)c2ccc(OCC)cc2)cc1 ZINC000224585678 568586331 /nfs/dbraw/zinc/58/63/31/568586331.db2.gz ZWKHRSGXHVBUMK-UHFFFAOYSA-N 0 0 421.471 2.630 40 0 HFABRN COC(=O)c1ccc(Cl)c(NC(=O)[C@@H](c2ccccc2)N(C)S(C)(=O)=O)c1 ZINC000224628165 568589255 /nfs/dbraw/zinc/58/92/55/568589255.db2.gz NHLFZYWCTXJPOB-MRXNPFEDSA-N 0 0 410.879 2.698 40 0 HFABRN CCOC(=O)c1ccccc1N(CC(=O)OC)S(=O)(=O)c1ccc(OC)c(C)c1 ZINC000224639668 568589999 /nfs/dbraw/zinc/58/99/99/568589999.db2.gz IWRLEQKLXXQEKO-UHFFFAOYSA-N 0 0 421.471 2.549 40 0 HFABRN CCOC(=O)CN(c1cc(C(=O)OCC)ccc1C)S(=O)(=O)c1ccccc1 ZINC000224678169 568592010 /nfs/dbraw/zinc/59/20/10/568592010.db2.gz BZHMZYJDVRKNII-UHFFFAOYSA-N 0 0 405.472 2.930 40 0 HFABRN COc1ccc(OC)c(NC(=O)[C@H](C)Oc2ccc(N(C)S(C)(=O)=O)cc2)c1 ZINC000224700526 568592774 /nfs/dbraw/zinc/59/27/74/568592774.db2.gz OXZIVUKUNZTAGE-ZDUSSCGKSA-N 0 0 408.476 2.506 40 0 HFABRN COC(=O)CN(c1c(C)cc(C)cc1C)S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000224809986 568598095 /nfs/dbraw/zinc/59/80/95/568598095.db2.gz SIJVTQIPRDPLQH-UHFFFAOYSA-N 0 0 407.488 2.997 40 0 HFABRN CCOC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000224821004 568598428 /nfs/dbraw/zinc/59/84/28/568598428.db2.gz DXHQNVOLSJJUQW-UHFFFAOYSA-N 0 0 405.472 2.833 40 0 HFABRN CCOc1ccc(C(=O)N[C@H](C)COC)cc1CN(C)S(=O)(=O)c1ccccc1 ZINC000224818907 568598549 /nfs/dbraw/zinc/59/85/49/568598549.db2.gz KOXXUAIQWDREQS-MRXNPFEDSA-N 0 0 420.531 2.671 40 0 HFABRN Cc1ccc2c(c1)O[C@@H](C(=O)Nc1ccc(N3CCCC3)cc1)CN2S(C)(=O)=O ZINC000224925290 568604254 /nfs/dbraw/zinc/60/42/54/568604254.db2.gz ISVJOONVICKZJK-HXUWFJFHSA-N 0 0 415.515 2.761 40 0 HFABRN COC(=O)CN(c1cc(OC)c(Cl)cc1OC)S(=O)(=O)c1ccc(F)cc1 ZINC000224925622 568604470 /nfs/dbraw/zinc/60/44/70/568604470.db2.gz OAXLCUTUWYBGPD-UHFFFAOYSA-N 0 0 417.842 2.865 40 0 HFABRN CCOC(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc(SC)cc1 ZINC000224987810 568607668 /nfs/dbraw/zinc/60/76/68/568607668.db2.gz BDEMNXLZANAJTF-UHFFFAOYSA-N 0 0 423.512 2.938 40 0 HFABRN Cc1ccc(N([C@@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)S(C)(=O)=O)cc1 ZINC000224992776 568607832 /nfs/dbraw/zinc/60/78/32/568607832.db2.gz QAECIWGNFBDXAN-KRWDZBQOSA-N 0 0 417.531 2.625 40 0 HFABRN Cc1cc(S(=O)(=O)Nc2ccc(N3CCOCC3)cc2)ccc1N1CCCC1=O ZINC000225002399 568608215 /nfs/dbraw/zinc/60/82/15/568608215.db2.gz SJPJSFGLDYZMMD-UHFFFAOYSA-N 0 0 415.515 2.759 40 0 HFABRN CCNC(=O)c1cc(S(=O)(=O)N[C@H](C)c2cc(OC)ccc2OC)ccc1OC ZINC000225147325 568617916 /nfs/dbraw/zinc/61/79/16/568617916.db2.gz YUTJPLFITJAZKD-CYBMUJFWSA-N 0 0 422.503 2.502 40 0 HFABRN COC(=O)Cc1ccc(NC(=S)NC2CCN(C(=O)c3ccccc3)CC2)cc1 ZINC000225226869 568624614 /nfs/dbraw/zinc/62/46/14/568624614.db2.gz OMDRQKOSVWDHSM-UHFFFAOYSA-N 0 0 411.527 2.993 40 0 HFABRN COc1ccc(-c2noc(CNS(=O)(=O)c3ccc(OC)c(C)c3C)n2)cc1 ZINC000225263792 568626531 /nfs/dbraw/zinc/62/65/31/568626531.db2.gz BSCRDWFGRKKZTR-UHFFFAOYSA-N 0 0 403.460 2.849 40 0 HFABRN CCCN(CC(=O)OCC)Cn1nc2n(c1=S)c1ccccc1c(=O)n2CCC ZINC000040158185 568626741 /nfs/dbraw/zinc/62/67/41/568626741.db2.gz XOJCCIOZLFJOBM-UHFFFAOYSA-N 0 0 417.535 2.823 40 0 HFABRN CCCn1c2ccc(S(=O)(=O)NC[C@H]3COc4ccccc4O3)cc2sc1=O ZINC000225284712 568627698 /nfs/dbraw/zinc/62/76/98/568627698.db2.gz YAURQBRIVLZBEZ-ZDUSSCGKSA-N 0 0 420.512 2.591 40 0 HFABRN CCc1ccc([C@H](C)NC(=O)CN(c2cc(OC)ccc2OC)S(C)(=O)=O)cc1 ZINC000225316030 568629326 /nfs/dbraw/zinc/62/93/26/568629326.db2.gz RQTCBSNLESTIBX-HNNXBMFYSA-N 0 0 420.531 2.910 40 0 HFABRN O=C(Cc1ccc(-c2csc(-c3ccncc3)n2)cc1)NCCN1CCOCC1 ZINC000225340943 568630657 /nfs/dbraw/zinc/63/06/57/568630657.db2.gz JKWYVNOSCSWHCQ-UHFFFAOYSA-N 0 0 408.527 2.863 40 0 HFABRN CNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)COc1cc(OC)cc(OC)c1 ZINC000225401545 568634422 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CCOCCCNC(=O)c1ccc(N(Cc2ccccc2F)S(C)(=O)=O)cc1 ZINC000010324617 569343667 /nfs/dbraw/zinc/34/36/67/569343667.db2.gz CTQCDXSSGGLXPO-UHFFFAOYSA-N 0 0 408.495 2.948 40 0 HFABRN Cc1ccc(N(CCCC(=O)Nc2ccc(C(N)=O)cc2)S(C)(=O)=O)cc1C ZINC000010361046 569344136 /nfs/dbraw/zinc/34/41/36/569344136.db2.gz VUIWMAUDXDPHMQ-UHFFFAOYSA-N 0 0 403.504 2.587 40 0 HFABRN Cc1ccc(Cl)cc1N([C@H](C)C(=O)Nc1ccc(C(N)=O)cc1)S(C)(=O)=O ZINC000010434297 569344392 /nfs/dbraw/zinc/34/43/92/569344392.db2.gz LZITUVYXPNZUAC-GFCCVEGCSA-N 0 0 409.895 2.541 40 0 HFABRN COC(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2C)cc1 ZINC000015420033 569344990 /nfs/dbraw/zinc/34/49/90/569344990.db2.gz DNZRASUEVSAYGF-UHFFFAOYSA-N 0 0 402.472 2.818 40 0 HFABRN CC(=O)Nc1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)c1 ZINC000016643865 569345135 /nfs/dbraw/zinc/34/51/35/569345135.db2.gz SEQPZYGEYLAMBE-UHFFFAOYSA-N 0 0 401.488 2.684 40 0 HFABRN Nc1ncc(-c2ccc([C@H]3CN(C(=O)CCOc4cccc(F)c4)CCO3)nc2)cn1 ZINC000019693671 569346509 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HFABRN Cc1ccc(-c2cnc(NC(=O)C[C@H]3NC(=O)N(C4CCCCC4)C3=O)n2C)cc1C ZINC000036752183 571308041 /nfs/dbraw/zinc/30/80/41/571308041.db2.gz NBPWOGROARZPNN-GOSISDBHSA-N 0 0 423.517 3.286 40 0 HFABRN C[C@@H](CO)Nc1nc(-c2ccncc2)cc(=NNc2c(F)c(F)cc(F)c2F)[nH]1 ZINC000329007222 571310322 /nfs/dbraw/zinc/31/03/22/571310322.db2.gz LJFMWXRXHQUHRF-VIFPVBQESA-N 0 0 408.359 3.327 40 0 HFABRN COc1ccc(CC(=O)N[C@H]2C[C@@H](c3nc(Cc4ccccc4)no3)N(C)C2)cc1 ZINC000020464231 575366481 /nfs/dbraw/zinc/36/64/81/575366481.db2.gz OXRUQAYZBWVTDA-ICSRJNTNSA-N 0 0 406.486 2.773 40 0 biogenic,in-vitro HFABRN CC(C)NC(=O)[C@@H](C)[C@@H]1CC[C@@]2(C)CC[C@H](NC(=O)c3cncnc3)[C@@H](C)[C@@H]2[C@H]1O ZINC000020467244 575369218 /nfs/dbraw/zinc/36/92/18/575369218.db2.gz AWDYXNBPRAPBDO-ORZDUAMFSA-N 0 0 416.566 2.559 40 0 biogenic,in-vitro HFABRN C/C=C/C=C/C=C/C(=O)O[C@@H]1C=C2[C@@H](O)OC(=O)[C@]2(O)[C@@]2(C)CCCC(C)(C)[C@H]12 ZINC000031159863 291214138 /nfs/dbraw/zinc/21/41/38/291214138.db2.gz SZNYTCZAXYAIIP-OPUOCCPKSA-N 0 0 402.487 2.966 40 0 biogenic,in-vitro HFABRN CC1(C)CN(C(=O)NCc2ccccc2)C[C@@H]2CN(C(=O)c3ccccc3F)CCN21 ZINC000253399943 291217682 /nfs/dbraw/zinc/21/76/82/291217682.db2.gz KDOVOZNBAIDCRZ-IBGZPJMESA-N 0 0 424.520 2.956 40 0 biogenic,in-vitro HFABRN COC(=O)[C@@H]1Cc2ncn(Cc3ccc(Cl)cc3)c2CN1Cc1ccc(CO)o1 ZINC000015707044 291221149 /nfs/dbraw/zinc/22/11/49/291221149.db2.gz NFFANWLCBCZWDU-IBGZPJMESA-N 0 0 415.877 2.770 40 0 biogenic,in-vitro HFABRN COCC(=O)N[C@H]1CCN2C(=O)c3cc(-c4cccc(C)c4C)ccc3NC(=O)[C@@H]2C1 ZINC000008300055 291221977 /nfs/dbraw/zinc/22/19/77/291221977.db2.gz UIQYADIBMHJRHI-UWJYYQICSA-N 0 0 421.497 2.658 40 0 biogenic,in-vitro HFABRN COc1ccc(C(=O)N[C@H]2CCN3C(=O)c4ccc(Cl)cc4NC(=O)[C@@H]3C2)cc1 ZINC000015709372 291224803 /nfs/dbraw/zinc/22/48/03/291224803.db2.gz DZWWWAATRVNYBJ-KSSFIOAISA-N 0 0 413.861 2.704 40 0 biogenic,in-vitro HFABRN COc1ccccc1NC(=O)N1C[C@H]2C[C@@H](C1)Cn1c(=O)ccc(-c3cncnc3)c12 ZINC000008296330 291226018 /nfs/dbraw/zinc/22/60/18/291226018.db2.gz ALVKLMFNFGZPFW-JKSUJKDBSA-N 0 0 417.469 2.965 40 0 biogenic,in-vitro HFABRN COc1ccc(CN2C[C@H]3CN(Cc4ccc5c(c4)OCCO5)CCN3C2=O)cc1 ZINC000096269138 291225178 /nfs/dbraw/zinc/22/51/78/291225178.db2.gz DHCIXQHKVCHYPW-LJQANCHMSA-N 0 0 409.486 2.588 40 0 biogenic,in-vitro HFABRN O=C(Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2Cc2ccccc2)cc1)c1ccco1 ZINC000067896400 291228736 /nfs/dbraw/zinc/22/87/36/291228736.db2.gz XORMHRGGGOVUNG-DENIHFKCSA-N 0 0 406.438 2.993 40 0 biogenic,in-vitro HFABRN O=S(=O)(Cc1ccccc1)NC[C@H]1Cn2c(-c3ccc(F)cc3)cnc2CO1 ZINC000096296342 291229858 /nfs/dbraw/zinc/22/98/58/291229858.db2.gz DUYGGWOVURSYGK-SFHVURJKSA-N 0 0 401.463 2.708 40 0 biogenic,in-vitro HFABRN CC(=O)N1CCCc2cc(S(=O)(=O)Nc3ccc(N4CCCC4=O)cc3)ccc21 ZINC000007325446 132323914 /nfs/dbraw/zinc/32/39/14/132323914.db2.gz RSRQIAIPUCKBLN-UHFFFAOYSA-N 0 0 413.499 2.913 40 0 HFABRN Cc1ccc(Cl)cc1N1CCN(C(=O)c2cccc(S(=O)(=O)N(C)C)c2)CC1 ZINC000007724531 132325452 /nfs/dbraw/zinc/32/54/52/132325452.db2.gz CDBWROSXUJJUBR-UHFFFAOYSA-N 0 0 421.950 2.861 40 0 HFABRN CC(=O)N1CCN(c2ncc(-c3ccc4c(c3)OCO4)c(-c3nccs3)n2)CC1 ZINC000012186426 132356207 /nfs/dbraw/zinc/35/62/07/132356207.db2.gz NQZSQQOZWKCZKD-UHFFFAOYSA-N 0 0 409.471 2.664 40 0 HFABRN CCS(=O)(=O)N1C[C@H](C(=O)Nc2ccc(OC)c(Cl)c2)Oc2ccccc21 ZINC000013677015 132458767 /nfs/dbraw/zinc/45/87/67/132458767.db2.gz BMWNBZZJJKZYTB-QGZVFWFLSA-N 0 0 410.879 2.904 40 0 HFABRN Fc1ccccc1N1CCN([C@@H](c2nnnn2C[C@H]2CCCO2)c2ccccc2)CC1 ZINC000019369643 132467130 /nfs/dbraw/zinc/46/71/30/132467130.db2.gz AWNPSNDTZVJHTQ-DENIHFKCSA-N 0 0 422.508 2.903 40 0 HFABRN Cc1cc(N2CCC(C(=O)NCc3c(F)cccc3Cl)CC2)n2ncnc2n1 ZINC000035310971 132801135 /nfs/dbraw/zinc/80/11/35/132801135.db2.gz XUNUJBSPBNHXDM-UHFFFAOYSA-N 0 0 402.861 2.758 40 0 HFABRN CC(C)(C)C(=O)N1CCC(c2nc(N3CCCCC3)ncc2S(C)(=O)=O)CC1 ZINC000012133383 534433721 /nfs/dbraw/zinc/43/37/21/534433721.db2.gz NVQSUHMHJQITKD-UHFFFAOYSA-N 0 0 408.568 2.623 40 0 HFABRN 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420.490 2.613 40 0 HFABRN C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CCC[C@H](c3nc4ccccc4[nH]3)C1)C2=O ZINC000036748612 557852157 /nfs/dbraw/zinc/85/21/57/557852157.db2.gz COUSGQUESGWULZ-SYJLOODJSA-N 0 0 423.517 2.770 40 0 HFABRN CCOc1ccccc1CCCNC(=O)CN(c1cccc(C)c1)S(C)(=O)=O ZINC000010110926 557855191 /nfs/dbraw/zinc/85/51/91/557855191.db2.gz BPVNNINIFUJRRS-UHFFFAOYSA-N 0 0 404.532 2.909 40 0 HFABRN COc1ccc(C(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)cc1OC ZINC000010216396 557857291 /nfs/dbraw/zinc/85/72/91/557857291.db2.gz COZBVNPICTWAJH-UHFFFAOYSA-N 0 0 412.442 2.923 40 0 HFABRN CCOc1ccc(S(=O)(=O)N(C)CC(=O)N2CCc3ccccc3C2)cc1C ZINC000010301454 557858907 /nfs/dbraw/zinc/85/89/07/557858907.db2.gz GVQWCZWWGNDQMN-UHFFFAOYSA-N 0 0 402.516 2.599 40 0 HFABRN COC(=O)c1cccc(NC(=O)[C@H](C)N(c2cc(C)ccc2C)S(C)(=O)=O)c1 ZINC000010328137 557860414 /nfs/dbraw/zinc/86/04/14/557860414.db2.gz XLGYPNCCWQJBHE-HNNXBMFYSA-N 0 0 404.488 2.883 40 0 HFABRN COc1ccc(N([C@@H](C)C(=O)NCCc2ccccc2)S(C)(=O)=O)cc1Cl ZINC000010330988 557860592 /nfs/dbraw/zinc/86/05/92/557860592.db2.gz UKYCYCJRIBRKMF-AWEZNQCLSA-N 0 0 410.923 2.862 40 0 HFABRN CCS(=O)(=O)N1CCC[C@@H]1c1nc2c(c(C)n1)CC(=O)N2Cc1ccc(F)cc1 ZINC000019739928 558260929 /nfs/dbraw/zinc/26/09/29/558260929.db2.gz NPZZENKFXOQPJJ-QGZVFWFLSA-N 0 0 418.494 2.500 40 0 HFABRN CCS(=O)(=O)N1CCC[C@H]1c1nc2c(c(C)n1)CC(=O)N2Cc1ccc(F)cc1 ZINC000019739930 558260930 /nfs/dbraw/zinc/26/09/30/558260930.db2.gz NPZZENKFXOQPJJ-KRWDZBQOSA-N 0 0 418.494 2.500 40 0 HFABRN CN(CC(=O)NCCCOC1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000011355814 558263568 /nfs/dbraw/zinc/26/35/68/558263568.db2.gz LYZOVXDAAPNKQH-UHFFFAOYSA-N 0 0 402.944 2.816 40 0 HFABRN Cc1noc(C)c1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cnc(C)cn2)CC1 ZINC000019746562 558266527 /nfs/dbraw/zinc/26/65/27/558266527.db2.gz UUBQPEIQPYBDTD-LJQANCHMSA-N 0 0 411.506 2.937 40 0 HFABRN CCn1ccc(C(=O)N[C@@H]2CCc3ccc(S(=O)(=O)NC4CCCC4)cc32)n1 ZINC000019749499 558268773 /nfs/dbraw/zinc/26/87/73/558268773.db2.gz MTXZLSZAQMNZHA-GOSISDBHSA-N 0 0 402.520 2.541 40 0 HFABRN COC(C)(C)C(=O)N1CCC[C@@H](NC(=O)c2ccc(C(F)(F)F)nc2C)CC1 ZINC000019749789 558269629 /nfs/dbraw/zinc/26/96/29/558269629.db2.gz RUYKRYPSMRJUNM-CYBMUJFWSA-N 0 0 401.429 2.945 40 0 HFABRN Cc1nc([C@@H]2CCCCN2C(=O)CCc2ccccc2)ncc1C(=O)N1CCOCC1 ZINC000019751832 558271831 /nfs/dbraw/zinc/27/18/31/558271831.db2.gz VKNSHJGKTBSMIT-NRFANRHFSA-N 0 0 422.529 2.944 40 0 HFABRN COc1cccc(CCNc2nc([C@@H]3CCCN(C(C)=O)C3)nc3c2CN(C)CC3)c1 ZINC000019752407 558272073 /nfs/dbraw/zinc/27/20/73/558272073.db2.gz PEHRDZGALPEAPK-LJQANCHMSA-N 0 0 423.561 2.854 40 0 HFABRN Cc1nc([C@@H]2CCCCN2S(=O)(=O)c2ccc(F)cc2)ncc1C(=O)N(C)C ZINC000019754217 558273617 /nfs/dbraw/zinc/27/36/17/558273617.db2.gz JQZDOEPTZACNJV-KRWDZBQOSA-N 0 0 406.483 2.542 40 0 HFABRN Cc1nc([C@@H]2CCCN2C(=O)c2ccc(=O)n(C)c2)ncc1C(=O)Nc1ccccc1 ZINC000019755323 558274041 /nfs/dbraw/zinc/27/40/41/558274041.db2.gz BMCGXIRYHYMTTN-IBGZPJMESA-N 0 0 417.469 2.713 40 0 HFABRN O=C(c1cc([C@@H]2CN(Cc3cccnc3)CCO2)nc2ccccc21)N1CCOCC1 ZINC000019759334 558275877 /nfs/dbraw/zinc/27/58/77/558275877.db2.gz BVESCVRTNQMIAA-QHCPKHFHSA-N 0 0 418.497 2.676 40 0 HFABRN Cc1c(C(=O)N2CCO[C@H](c3cc(C(=O)NC(C)C)c4ccccc4n3)C2)cnn1C ZINC000019759732 558276271 /nfs/dbraw/zinc/27/62/71/558276271.db2.gz BGYKQHNQNOGFMJ-NRFANRHFSA-N 0 0 421.501 2.629 40 0 HFABRN Cc1nc([C@H]2CCCN(C(=O)COc3cccc(C(F)(F)F)c3)C2)ncc1C(N)=O ZINC000019763681 558277617 /nfs/dbraw/zinc/27/76/17/558277617.db2.gz ACPHNSQUEALROM-ZDUSSCGKSA-N 0 0 422.407 2.688 40 0 HFABRN Cc1nc([C@@H]2CCCCN2CC(=O)N2CCCC2)ncc1C(=O)NCc1ccccc1 ZINC000019766321 558278549 /nfs/dbraw/zinc/27/85/49/558278549.db2.gz ZDZCBHMZPRZPQV-NRFANRHFSA-N 0 0 421.545 2.864 40 0 HFABRN COC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(Br)c1 ZINC000019886414 558302153 /nfs/dbraw/zinc/30/21/53/558302153.db2.gz XSPKQDPPTGLOSY-UHFFFAOYSA-N 0 0 414.277 2.826 40 0 HFABRN CC[C@H](Oc1cccc(OC)c1)C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000019933349 558311069 /nfs/dbraw/zinc/31/10/69/558311069.db2.gz QFORPXMMYSOPRJ-FQEVSTJZSA-N 0 0 412.486 2.926 40 0 HFABRN O=C(C1CCN(S(=O)(=O)Cc2ccccc2F)CC1)N1CCc2ccccc21 ZINC000019933763 558311430 /nfs/dbraw/zinc/31/14/30/558311430.db2.gz PGLCKKMVMHHOKX-UHFFFAOYSA-N 0 0 402.491 2.957 40 0 HFABRN COC(=O)c1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCCC3)c2)cc1 ZINC000019935673 558311788 /nfs/dbraw/zinc/31/17/88/558311788.db2.gz FBPVNTPXISSSGK-UHFFFAOYSA-N 0 0 406.435 2.649 40 0 HFABRN COc1ccc([C@@H](C)NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 ZINC000020017731 558320531 /nfs/dbraw/zinc/32/05/31/558320531.db2.gz GBTUZAVKVNHGMC-MRXNPFEDSA-N 0 0 402.516 2.973 40 0 HFABRN CCCNS(=O)(=O)c1ccc(OCC(=O)N[C@H](C)c2ccc(OC)cc2)c(C)c1 ZINC000020022167 558321552 /nfs/dbraw/zinc/32/15/52/558321552.db2.gz HOQWABKFOPVIQX-MRXNPFEDSA-N 0 0 420.531 2.948 40 0 HFABRN CCN(CC)S(=O)(=O)c1ccc(OCC(=O)NCc2ccc(F)cc2)c(C)c1 ZINC000020022743 558321613 /nfs/dbraw/zinc/32/16/13/558321613.db2.gz LGUZTKNCQAUVQE-UHFFFAOYSA-N 0 0 408.495 2.860 40 0 HFABRN Cn1cc(Cl)c(C(=O)N[C@H]2C[C@@]3(CCC(=O)N(C)CC3)Oc3ccccc32)n1 ZINC000012086473 558321856 /nfs/dbraw/zinc/32/18/56/558321856.db2.gz NAMQACIOFCNGKH-YWZLYKJASA-N 0 0 402.882 2.708 40 0 HFABRN CC(=O)N1Cc2ccccc2O[C@@]2(CCCN(S(=O)(=O)c3ccc(C)cc3)C2)C1 ZINC000012087141 558322120 /nfs/dbraw/zinc/32/21/20/558322120.db2.gz CLMVOVCTFCGTAP-QFIPXVFZSA-N 0 0 414.527 2.959 40 0 HFABRN COc1ccc([C@@H](C)NC(=O)[C@@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)cc1OC ZINC000020042346 558326331 /nfs/dbraw/zinc/32/63/31/558326331.db2.gz SVHISAOWJXHXOZ-ZIAGYGMSSA-N 0 0 424.494 2.875 40 0 HFABRN CCc1cc(=O)[nH]c(NC2CCN(CC(=O)Nc3ccccc3C(F)(F)F)CC2)n1 ZINC000012113699 558327160 /nfs/dbraw/zinc/32/71/60/558327160.db2.gz CFMSCXYKNFVWQY-UHFFFAOYSA-N 0 0 423.439 2.866 40 0 HFABRN CCc1nn(CC(=O)N(Cc2cccnc2)C2CC2)c(=O)c2cc3sccc3n21 ZINC000012115310 558327811 /nfs/dbraw/zinc/32/78/11/558327811.db2.gz GNNCGBOTMCKVIO-UHFFFAOYSA-N 0 0 407.499 2.859 40 0 HFABRN CCOc1ccc([C@@H](C)NC(=O)CN(c2ccccc2F)S(=O)(=O)N(C)C)cc1 ZINC000020049313 558328300 /nfs/dbraw/zinc/32/83/00/558328300.db2.gz KVLLBHUORLAQCD-OAHLLOKOSA-N 0 0 423.510 2.715 40 0 HFABRN Cc1cc(-c2cncnc2[C@H]2CCCN(C(=O)Cn3nnc4ccccc43)C2)on1 ZINC000012118432 558329849 /nfs/dbraw/zinc/32/98/49/558329849.db2.gz VNQFKRWMFVSGJE-HNNXBMFYSA-N 0 0 403.446 2.591 40 0 HFABRN CC(C)CC(=O)N1CCC[C@H](c2nc(-c3cccnc3)ncc2S(C)(=O)=O)C1 ZINC000012119297 558330229 /nfs/dbraw/zinc/33/02/29/558330229.db2.gz JALBLWHSDJNFRV-INIZCTEOSA-N 0 0 402.520 2.694 40 0 HFABRN COc1cccc(C2(NC(=O)[C@H]3[C@H]4C=C[C@]5(CN(C(C)C)C(=O)[C@@H]35)O4)CCCC2)c1 ZINC000012143109 558335215 /nfs/dbraw/zinc/33/52/15/558335215.db2.gz LLPSXOMQYRKSTM-ZBNTXBBCSA-N 0 0 410.514 2.771 40 0 HFABRN COc1ccnc(Cn2nc3c4c5c(sc4ncn3c2=O)C[C@H](C)CC5)c1OC ZINC000012143608 558335418 /nfs/dbraw/zinc/33/54/18/558335418.db2.gz HGXYRBAIYCRMCF-LLVKDONJSA-N 0 0 411.487 2.691 40 0 HFABRN Cc1ccc2[nH]c([C@@H]3CCCCN3C(=O)C3CCN(S(C)(=O)=O)CC3)nc2c1 ZINC000012143606 558335447 /nfs/dbraw/zinc/33/54/47/558335447.db2.gz ZZBKDAFAIULUOP-SFHVURJKSA-N 0 0 404.536 2.597 40 0 HFABRN C[C@H](CCc1ccccc1)NC(=O)CN1CCC2(CC1)NC(=O)c1ccccc1O2 ZINC000012145850 558337170 /nfs/dbraw/zinc/33/71/70/558337170.db2.gz OSHOWEBYMHEWPB-GOSISDBHSA-N 0 0 407.514 2.738 40 0 HFABRN COCCN(C(=O)c1ccc2c(c1)OCO2)c1nc2c(s1)CCc1c-2cnn1C ZINC000012146082 558337514 /nfs/dbraw/zinc/33/75/14/558337514.db2.gz YDZGIAMHNBGWIU-UHFFFAOYSA-N 0 0 412.471 2.664 40 0 HFABRN CC(C)(C)n1nnnc1[C@H](c1ccccc1F)N1CCN(C(=O)c2ccco2)CC1 ZINC000020139678 558338461 /nfs/dbraw/zinc/33/84/61/558338461.db2.gz PLPIJNCNBVFXAY-SFHVURJKSA-N 0 0 412.469 2.708 40 0 HFABRN CCn1nc(CC(=O)N2CCN(Cc3ccco3)C[C@@H]2C(C)C)c2ccccc2c1=O ZINC000012156476 558340562 /nfs/dbraw/zinc/34/05/62/558340562.db2.gz PMVMZAIDLGSVPT-JOCHJYFZSA-N 0 0 422.529 2.921 40 0 HFABRN Cn1ccc([C@@H]2CCCCCN2S(=O)(=O)c2ccc3c(c2)sc(=O)n3C)n1 ZINC000012159629 558341365 /nfs/dbraw/zinc/34/13/65/558341365.db2.gz JBSDYIUVIZWFEE-HNNXBMFYSA-N 0 0 406.533 2.640 40 0 HFABRN CC[C@H](Cn1nc(-c2cccs2)ccc1=O)NC(=O)CN1Cc2ccccc2C1=O ZINC000012182414 558343443 /nfs/dbraw/zinc/34/34/43/558343443.db2.gz HKKYVEZILZJWNM-MRXNPFEDSA-N 0 0 422.510 2.523 40 0 HFABRN CC(C)N(C(=O)Cn1nc2c3c4c(sc3ncn2c1=O)C[C@H](C)CC4)C(C)C ZINC000012184197 558344334 /nfs/dbraw/zinc/34/43/34/558344334.db2.gz SSFAOOVCXVIVIU-CYBMUJFWSA-N 0 0 401.536 2.876 40 0 HFABRN Cc1ccc(C)c(N(CC(=O)N2CCc3ccccc3C2)S(=O)(=O)N(C)C)c1 ZINC000020244653 558350987 /nfs/dbraw/zinc/35/09/87/558350987.db2.gz CLGDQYCLXFWDNW-UHFFFAOYSA-N 0 0 401.532 2.501 40 0 HFABRN CC(C)c1cc(C(F)(F)F)n2nc([C@@H]3CCN(C(=O)[C@@H]4CC(=O)N(C)C4)C3)cc2n1 ZINC000012220418 558355469 /nfs/dbraw/zinc/35/54/69/558355469.db2.gz OTJDCWOCHNULOA-CHWSQXEVSA-N 0 0 423.439 2.666 40 0 HFABRN Cc1nc([C@@H](Cc2ccsc2)NC(=O)CN2C(=O)NC(C)(C)C2=O)sc1C ZINC000012228223 558357291 /nfs/dbraw/zinc/35/72/91/558357291.db2.gz GUVMJOYBSVVQGA-CYBMUJFWSA-N 0 0 406.533 2.552 40 0 HFABRN CCc1cc(C(F)(F)F)n2nc([C@@H]3CCN(C(=O)CCn4cccn4)C3)cc2n1 ZINC000012276555 558364384 /nfs/dbraw/zinc/36/43/84/558364384.db2.gz AFFPQWDOQIBJSG-CYBMUJFWSA-N 0 0 406.412 2.913 40 0 HFABRN COc1ccc(CN(C)C(=O)[C@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)cc1OC ZINC000020459232 558371679 /nfs/dbraw/zinc/37/16/79/558371679.db2.gz HOHAYGQTPZSIHP-AWEZNQCLSA-N 0 0 424.494 2.656 40 0 HFABRN COc1ccc(CC(=O)N2CCC([C@@H]3C[C@H](C(F)F)n4ncnc4N3)CC2)cc1 ZINC000012407857 558398713 /nfs/dbraw/zinc/39/87/13/558398713.db2.gz HFYMENMQZDGAAI-DLBZAZTESA-N 0 0 405.449 2.758 40 0 HFABRN CCOC(=O)[C@@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@H]1c1cccc(O)c1 ZINC000020802232 558415822 /nfs/dbraw/zinc/41/58/22/558415822.db2.gz ASXYRXRUCGQDIV-OALUTQOASA-N 0 0 409.442 2.504 40 0 HFABRN COc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccc3c(c2)OCO3)c1 ZINC000022229942 558468831 /nfs/dbraw/zinc/46/88/31/558468831.db2.gz XZWHGARJDIKRJD-INIZCTEOSA-N 0 0 418.471 2.524 40 0 HFABRN COc1cc(C(=O)NC2CC2)c(N(Cc2ccccc2F)S(C)(=O)=O)cc1OC ZINC000022254292 558474212 /nfs/dbraw/zinc/47/42/12/558474212.db2.gz AZXVLTFUVVZWCB-UHFFFAOYSA-N 0 0 422.478 2.701 40 0 HFABRN CCCNC(=O)c1cc(OC)c(OC)cc1N(Cc1ccccc1F)S(C)(=O)=O ZINC000022254261 558474275 /nfs/dbraw/zinc/47/42/75/558474275.db2.gz RMFJLEPUSZNFMU-UHFFFAOYSA-N 0 0 424.494 2.949 40 0 HFABRN COc1cc(CNC(=O)CN(c2ccccc2)S(C)(=O)=O)ccc1OC(C)C ZINC000022326328 558478326 /nfs/dbraw/zinc/47/83/26/558478326.db2.gz QPJWOVHTVXXACV-UHFFFAOYSA-N 0 0 406.504 2.565 40 0 HFABRN Cc1ccc(OC[C@@H](C)NC(=O)CN(c2cc(C)ccc2C)S(C)(=O)=O)cc1 ZINC000022328864 558479203 /nfs/dbraw/zinc/47/92/03/558479203.db2.gz OBTQISVJYIFLMJ-GOSISDBHSA-N 0 0 404.532 2.962 40 0 HFABRN CCc1ccccc1N(CC(=O)N[C@H](C)COc1ccccc1C)S(C)(=O)=O ZINC000022329946 558479428 /nfs/dbraw/zinc/47/94/28/558479428.db2.gz SWSMBACJGMBXMD-QGZVFWFLSA-N 0 0 404.532 2.907 40 0 HFABRN CCOc1ccc(N(CC(=O)NCCCc2cccc(OC)c2)S(C)(=O)=O)cc1 ZINC000022333177 558480626 /nfs/dbraw/zinc/48/06/26/558480626.db2.gz CXDRFECCJPOLCC-UHFFFAOYSA-N 0 0 420.531 2.609 40 0 HFABRN CCOc1ccc(N(CC(=O)N[C@@H](C)COc2ccccc2C)S(C)(=O)=O)cc1 ZINC000022333296 558480655 /nfs/dbraw/zinc/48/06/55/558480655.db2.gz NBNGOMTWURCETA-KRWDZBQOSA-N 0 0 420.531 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557276349 /nfs/dbraw/zinc/27/63/49/557276349.db2.gz LSTRNHDFMKMGPY-ZCNNSNEGSA-N 0 0 415.511 2.639 40 0 HFABRN COC(=O)C(=O)[C@@H](C(=O)Nc1cccc(C)c1C)[C@H]1Sc2ccccc2NC1=O ZINC000001624584 557277215 /nfs/dbraw/zinc/27/72/15/557277215.db2.gz VRWUFOWKVHBEPN-SJLPKXTDSA-N 0 0 412.467 2.713 40 0 HFABRN CCOc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1NC(=O)c1ccccc1 ZINC000408556457 557452780 /nfs/dbraw/zinc/45/27/80/557452780.db2.gz CSHOMMMSWRGHNH-MRXNPFEDSA-N 0 0 404.488 2.795 40 0 HFABRN CCOc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1NC(=O)c1ccccc1 ZINC000408556456 557452869 /nfs/dbraw/zinc/45/28/69/557452869.db2.gz CSHOMMMSWRGHNH-INIZCTEOSA-N 0 0 404.488 2.795 40 0 HFABRN COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccc(OC)c(Cl)c2)cc1C ZINC000408556860 557453541 /nfs/dbraw/zinc/45/35/41/557453541.db2.gz DZYQKWJVWXGCGG-GFCCVEGCSA-N 0 0 412.895 2.971 40 0 HFABRN O=C(NC[C@H]1CCCO1)[C@@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1 ZINC000408557060 557453755 /nfs/dbraw/zinc/45/37/55/557453755.db2.gz KPIZRKKXKRAJOD-RTBURBONSA-N 0 0 402.516 2.536 40 0 HFABRN CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)NCC(C)C)CC1 ZINC000408559480 557456939 /nfs/dbraw/zinc/45/69/39/557456939.db2.gz XGTVMIMUVQLFOX-UHFFFAOYSA-N 0 0 402.944 2.912 40 0 HFABRN CCOC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000408562427 557460854 /nfs/dbraw/zinc/46/08/54/557460854.db2.gz ZXEWLFOPJPHYDW-UHFFFAOYSA-N 0 0 407.467 2.905 40 0 HFABRN CC(C)(C)c1ccc(OCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 ZINC000003517569 557490864 /nfs/dbraw/zinc/49/08/64/557490864.db2.gz FJYJFPVWKFHJDD-UHFFFAOYSA-N 0 0 416.543 2.896 40 0 HFABRN COC(=O)c1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N3CCCC3)c2)cc1 ZINC000408589848 557499264 /nfs/dbraw/zinc/49/92/64/557499264.db2.gz FVSYPEGLHMEZMS-UHFFFAOYSA-N 0 0 402.472 2.818 40 0 HFABRN COc1ccc(CCNS(=O)(=O)c2ccc(NC(=O)N3CCCC3)cc2)cc1 ZINC000408590055 557499518 /nfs/dbraw/zinc/49/95/18/557499518.db2.gz IVJQRKYWFGVPRZ-UHFFFAOYSA-N 0 0 403.504 2.844 40 0 HFABRN Cc1ccccc1NC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1Cl ZINC000408594326 557512048 /nfs/dbraw/zinc/51/20/48/557512048.db2.gz OLVAXNWTFXADSK-UHFFFAOYSA-N 0 0 424.906 2.687 40 0 HFABRN COc1cccc(NS(=O)(=O)c2ccc(OCC(=O)N3CCCCC3)cc2)c1 ZINC000408606281 557518324 /nfs/dbraw/zinc/51/83/24/557518324.db2.gz ONLFHRZOIRNNDL-UHFFFAOYSA-N 0 0 404.488 2.887 40 0 HFABRN COC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)Nc2ccccc2)cc1Cl ZINC000408607014 557519042 /nfs/dbraw/zinc/51/90/42/557519042.db2.gz PRANUSNPXFDUNE-ZDUSSCGKSA-N 0 0 412.895 2.671 40 0 HFABRN COC[C@H](C)NC(=O)[C@@H](C)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O ZINC000408603052 557523445 /nfs/dbraw/zinc/52/34/45/557523445.db2.gz FBRCDWQIBWENPZ-JKSUJKDBSA-N 0 0 406.504 2.785 40 0 HFABRN CCCNC(=O)COc1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1Cl ZINC000408617415 557544105 /nfs/dbraw/zinc/54/41/05/557544105.db2.gz CWQVTRRMFSDHHQ-UHFFFAOYSA-N 0 0 422.934 2.992 40 0 HFABRN CC(=O)c1cccc(N(CC(=O)N[C@@H](C)CCc2ccccc2)S(C)(=O)=O)c1 ZINC000408622656 557548726 /nfs/dbraw/zinc/54/87/26/557548726.db2.gz QGYUGLKAQMRPRC-INIZCTEOSA-N 0 0 402.516 2.793 40 0 HFABRN COC[C@H](C)NC(=O)CN(Cc1ccccc1C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000408626578 557559781 /nfs/dbraw/zinc/55/97/81/557559781.db2.gz ZRUPAZDVGAGRHO-INIZCTEOSA-N 0 0 424.950 2.990 40 0 HFABRN NS(=O)(=O)c1ccc(NC(=S)NC(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000408627847 557561204 /nfs/dbraw/zinc/56/12/04/557561204.db2.gz OJWSROOATYDMQJ-UHFFFAOYSA-N 0 0 404.300 2.768 40 0 HFABRN COc1ccc(N(CC(=O)N[C@H](C)CCc2ccccc2)S(C)(=O)=O)cc1OC ZINC000408631019 557568924 /nfs/dbraw/zinc/56/89/24/557568924.db2.gz ZDRVCEGNIZQWOF-MRXNPFEDSA-N 0 0 420.531 2.607 40 0 HFABRN COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NC[C@H]1CCCO1)C1CCCCC1 ZINC000408636456 557611412 /nfs/dbraw/zinc/61/14/12/557611412.db2.gz QKNPDIUXQXGFMB-GOSISDBHSA-N 0 0 424.563 2.622 40 0 HFABRN CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)Cn1nnc2c(cnn2-c2ccccc2)c1=O ZINC000005000432 557623681 /nfs/dbraw/zinc/62/36/81/557623681.db2.gz AEHVJVIRNCONHU-KVSKMBFKSA-N 0 0 409.490 2.981 40 0 HFABRN Cc1cccc(N2C[C@@H](C(=O)Oc3cccc(N4C(=O)CCCC4=O)c3)CC2=O)c1 ZINC000408655305 557638078 /nfs/dbraw/zinc/63/80/78/557638078.db2.gz GXPVVNQRTLUDRV-INIZCTEOSA-N 0 0 406.438 2.997 40 0 HFABRN COC(=O)c1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3cc(C)ccc3C)CC2=O)cc1 ZINC000408661975 557642750 /nfs/dbraw/zinc/64/27/50/557642750.db2.gz WOYHCLPBRRCYGY-KRWDZBQOSA-N 0 0 424.453 2.625 40 0 HFABRN COC(=O)c1ccc(N2C[C@H](C(=O)OCC(=O)Nc3cc(C)ccc3C)CC2=O)cc1 ZINC000408661977 557642807 /nfs/dbraw/zinc/64/28/07/557642807.db2.gz WOYHCLPBRRCYGY-QGZVFWFLSA-N 0 0 424.453 2.625 40 0 HFABRN CCc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(C(=O)OC)cc3)C2)cc1 ZINC000408665302 557649064 /nfs/dbraw/zinc/64/90/64/557649064.db2.gz DMOMTEZKDKEPIG-KRWDZBQOSA-N 0 0 424.453 2.570 40 0 HFABRN Cc1cc(N2C(=O)c3ccc(C(=O)OCC(=O)Nc4ccc(C)cc4)cc3C2=O)no1 ZINC000408667178 557652407 /nfs/dbraw/zinc/65/24/07/557652407.db2.gz RXHPPWLTLYCVLO-UHFFFAOYSA-N 0 0 419.393 2.888 40 0 HFABRN COc1ccc(CNC(=O)CN(C(=O)c2csnn2)c2ccc(OC)cc2)cc1 ZINC000035289226 557670641 /nfs/dbraw/zinc/67/06/41/557670641.db2.gz WMUDZRCEECUDEP-UHFFFAOYSA-N 0 0 412.471 2.519 40 0 HFABRN COCCn1nnnc1[C@@H](c1ccc(F)cc1)N1CCN(c2cc(C)ccc2C)CC1 ZINC000035289867 557673244 /nfs/dbraw/zinc/67/32/44/557673244.db2.gz MREGMMFQINCMCP-JOCHJYFZSA-N 0 0 424.524 2.987 40 0 HFABRN CCOC(=O)C(C(=O)OCC)[C@@H](CS(=O)(=O)Oc1ccccc1)c1ccccc1 ZINC000005795844 557674947 /nfs/dbraw/zinc/67/49/47/557674947.db2.gz MDLGSJSPSNLUHC-SFHVURJKSA-N 0 0 420.483 2.921 40 0 HFABRN CCOC(=O)[C@]1(Br)[C@H](c2ccccc2)NC(=O)N[C@@]1(C)Br ZINC000005811047 557675809 /nfs/dbraw/zinc/67/58/09/557675809.db2.gz WWJCFUTVXQGRTF-ZLKJLUDKSA-N 0 0 420.101 2.848 40 0 HFABRN Cc1ccc(-c2cc3ccccn3c2C(=O)C(=O)NCCCN2CCOCC2)cc1 ZINC000408678495 557684801 /nfs/dbraw/zinc/68/48/01/557684801.db2.gz SITZDJRPKVNWAC-UHFFFAOYSA-N 0 0 405.498 2.936 40 0 HFABRN COCCn1c(SCC(=O)Nc2cccc(C(=O)OC)c2)nc2cccnc21 ZINC000035314452 557690039 /nfs/dbraw/zinc/69/00/39/557690039.db2.gz PTXFXWBKAUZTIO-UHFFFAOYSA-N 0 0 400.460 2.595 40 0 HFABRN CN1C(=O)N(CC(=O)Nc2cnn(Cc3cccc(F)c3)c2)C(=O)C12CCCCC2 ZINC000035316717 557691625 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NC(=O)c1ccccc1NC(=O)CCCN1c2cccc3cccc(c23)S1(=O)=O ZINC000408704830 557730253 /nfs/dbraw/zinc/73/02/53/557730253.db2.gz UAHAGOMZCFCYRX-UHFFFAOYSA-N 0 0 409.467 2.866 40 0 HFABRN Cc1ccc(S(=O)(=O)NCC(=O)N2CCN(c3cc(Cl)ccc3C)CC2)cc1 ZINC000006931383 557730631 /nfs/dbraw/zinc/73/06/31/557730631.db2.gz JCGYNNOSGHCMMI-UHFFFAOYSA-N 0 0 421.950 2.584 40 0 HFABRN CN(Cc1nnc(-c2ccccc2)o1)C(=O)CCCN1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000408713931 557748087 /nfs/dbraw/zinc/74/80/87/557748087.db2.gz CZAJNTTUZSSIIN-IAGOWNOFSA-N 0 0 410.474 2.650 40 0 HFABRN COc1ccc(CN(C)C(=O)CN(c2ccc(F)c(Cl)c2)S(C)(=O)=O)cc1 ZINC000007871829 557765830 /nfs/dbraw/zinc/76/58/30/557765830.db2.gz HWJHCTJIWWDIQK-UHFFFAOYSA-N 0 0 414.886 2.912 40 0 HFABRN CCCCOC(=O)c1ccc(NC(=O)c2ccc(OC)c(S(=O)(=O)NC)c2)cc1 ZINC000008476098 557792927 /nfs/dbraw/zinc/79/29/27/557792927.db2.gz WHFZWSVGSREOTH-UHFFFAOYSA-N 0 0 420.487 2.813 40 0 HFABRN CNS(=O)(=O)c1cc(C(=O)NCc2ccc(Cl)cc2Cl)ccc1OC ZINC000008475984 557792994 /nfs/dbraw/zinc/79/29/94/557792994.db2.gz VUZWHVZONODQSH-UHFFFAOYSA-N 0 0 403.287 2.840 40 0 HFABRN COc1ccc(OC)c([C@@H]2c3c(-c4cccs4)n[nH]c(=O)c3Nc3nnnn32)c1 ZINC000010297741 557858745 /nfs/dbraw/zinc/85/87/45/557858745.db2.gz SLSBHYHJFCYDES-MRXNPFEDSA-N 0 0 409.431 2.609 40 0 HFABRN Cc1ccc(S(=O)(=O)N2c3ccc(C(=O)N4CCN(C)CC4)cc3C[C@@H]2C)cc1 ZINC000010327076 557860155 /nfs/dbraw/zinc/86/01/55/557860155.db2.gz QYOAKEIWLBFZJQ-KRWDZBQOSA-N 0 0 413.543 2.523 40 0 HFABRN COc1ccc(N([C@H](C)C(=O)NCCc2ccccc2)S(C)(=O)=O)cc1Cl ZINC000010330998 557860609 /nfs/dbraw/zinc/86/06/09/557860609.db2.gz UKYCYCJRIBRKMF-CQSZACIVSA-N 0 0 410.923 2.862 40 0 HFABRN Cc1nc([C@@H]2CCCCN2CC(=O)Nc2ccc(F)cc2)nc2c1CCC(=O)N2C ZINC000019740479 558261387 /nfs/dbraw/zinc/26/13/87/558261387.db2.gz AXCDMMWUDGVCDR-SFHVURJKSA-N 0 0 411.481 2.999 40 0 HFABRN CC[C@@H](C)Oc1ccccc1/C=C1/SC(=O)N(CC(=O)N2CCOCC2)C1=O ZINC000214648608 558262144 /nfs/dbraw/zinc/26/21/44/558262144.db2.gz KQIAHEIXLQVQKD-RFRKOGIWSA-N 0 0 404.488 2.759 40 0 HFABRN C[C@@H](NC(=O)c1ccc(=O)n(CC(=O)NC2CCCCC2)c1)c1nc2ccccc2[nH]1 ZINC000019749225 558268419 /nfs/dbraw/zinc/26/84/19/558268419.db2.gz OITLPOPLUWSOEE-OAHLLOKOSA-N 0 0 421.501 2.665 40 0 HFABRN Cc1cnn(CC(=O)N2CCC[C@@H](N(C)C(=O)c3nccc4ccccc43)CC2)c1 ZINC000019749919 558269898 /nfs/dbraw/zinc/26/98/98/558269898.db2.gz WLHYLSRNOIZLHA-LJQANCHMSA-N 0 0 405.502 2.893 40 0 HFABRN CC(=O)N1CCC[C@H](c2nc(CN(C)C(=O)Cc3cccc(C)c3)cc(N(C)C)n2)C1 ZINC000019752030 558271755 /nfs/dbraw/zinc/27/17/55/558271755.db2.gz KAFUTEIRSBRCRB-FQEVSTJZSA-N 0 0 423.561 2.778 40 0 HFABRN Cc1nc([C@@H]2CCN(CC(=O)N(C)C)C2)ncc1C(=O)Nc1ccc(Cl)cc1 ZINC000019753204 558272494 /nfs/dbraw/zinc/27/24/94/558272494.db2.gz NJPGENPNHSVZOO-CQSZACIVSA-N 0 0 401.898 2.568 40 0 HFABRN CN(C)C(=O)c1cn(C)nc1CC1CCN(C(=O)c2nccc3ccccc32)CC1 ZINC000019756455 558274353 /nfs/dbraw/zinc/27/43/53/558274353.db2.gz DTNZOQNGSCCMLI-UHFFFAOYSA-N 0 0 405.502 2.765 40 0 HFABRN Cc1nc([C@@H]2CCCN(CC(=O)N3CCCC3)C2)ncc1C(=O)Nc1ccccc1 ZINC000019766317 558278450 /nfs/dbraw/zinc/27/84/50/558278450.db2.gz WJRRQFUUPOZHAW-GOSISDBHSA-N 0 0 407.518 2.839 40 0 HFABRN COc1ccc(CNC(=O)c2cnc(C)nc2[C@@H]2CCCN2c2ncccn2)cc1 ZINC000019766661 558278947 /nfs/dbraw/zinc/27/89/47/558278947.db2.gz QYFYNETZMRAZKV-IBGZPJMESA-N 0 0 404.474 2.855 40 0 HFABRN CC(=O)Nc1ccc(NC(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)cc1 ZINC000019930641 558310125 /nfs/dbraw/zinc/31/01/25/558310125.db2.gz LMPMDGPJVCCVIX-UHFFFAOYSA-N 0 0 401.488 2.657 40 0 HFABRN Cc1ccc(N([C@@H](C)C(=O)NCc2ccc(-n3ccnc3)cc2)S(C)(=O)=O)cc1 ZINC000019931500 558310285 /nfs/dbraw/zinc/31/02/85/558310285.db2.gz BYUDOLOTJPXVJM-KRWDZBQOSA-N 0 0 412.515 2.652 40 0 HFABRN O=C(Nc1ccc2c(c1)OCCO2)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1 ZINC000019935661 558311762 /nfs/dbraw/zinc/31/17/62/558311762.db2.gz RPMJITBOJOHSRF-UHFFFAOYSA-N 0 0 406.435 2.634 40 0 HFABRN Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCCC4)nc(N)c32)cc1Cl ZINC000019974109 558317010 /nfs/dbraw/zinc/31/70/10/558317010.db2.gz FKZSONXJDPGQJE-GFCCVEGCSA-N 0 0 400.870 2.685 40 0 HFABRN Nc1nc(N2CCCC2)nc2c1[C@H](C(=O)Nc1ccccc1C(F)(F)F)CC(=O)N2 ZINC000019974105 558317070 /nfs/dbraw/zinc/31/70/70/558317070.db2.gz DCPSVDCQAGOQQW-SNVBAGLBSA-N 0 0 420.395 2.742 40 0 HFABRN CCCCNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000020005056 558318119 /nfs/dbraw/zinc/31/81/19/558318119.db2.gz DLGLCFRGYKNVML-SFHVURJKSA-N 0 0 420.531 2.510 40 0 HFABRN COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)cc1C ZINC000020008485 558318732 /nfs/dbraw/zinc/31/87/32/558318732.db2.gz GUMREBCVULMMJX-FQEVSTJZSA-N 0 0 416.543 2.952 40 0 HFABRN COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccc(F)c(F)c2F)cc1C ZINC000020016162 558320018 /nfs/dbraw/zinc/32/00/18/558320018.db2.gz AZYDHVFQPOMWNS-SNVBAGLBSA-N 0 0 402.394 2.726 40 0 HFABRN CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccc(F)c(F)c2F)cc1 ZINC000020016310 558320161 /nfs/dbraw/zinc/32/01/61/558320161.db2.gz LNIMYXNNJKMYIF-SNVBAGLBSA-N 0 0 402.394 2.808 40 0 HFABRN COc1ccc(C)cc1S(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccc(F)cc2)C1 ZINC000020016971 558320414 /nfs/dbraw/zinc/32/04/14/558320414.db2.gz LFRBNEFSNOZECK-QGZVFWFLSA-N 0 0 420.506 2.860 40 0 HFABRN COc1ccccc1[C@H](C)NC(=O)COc1ccc(S(=O)(=O)NC(C)C)cc1C ZINC000020021743 558321396 /nfs/dbraw/zinc/32/13/96/558321396.db2.gz BMBILYZIIGMFEQ-INIZCTEOSA-N 0 0 420.531 2.947 40 0 HFABRN COc1cc(C(=O)Nc2cc(F)ccc2F)c(N(C)S(C)(=O)=O)cc1OC ZINC000020030160 558324052 /nfs/dbraw/zinc/32/40/52/558324052.db2.gz MCXWTLUKYFLBLY-UHFFFAOYSA-N 0 0 400.403 2.630 40 0 HFABRN CCn1c(C)nnc1SCC(=O)Nc1ccccc1I ZINC000020034175 558324643 /nfs/dbraw/zinc/32/46/43/558324643.db2.gz WWHVGTOMQPFNQO-UHFFFAOYSA-N 0 0 402.261 2.942 40 0 HFABRN COc1ccc(OC)c(N(CC(=O)N[C@H]2CCCc3ccccc32)S(C)(=O)=O)c1 ZINC000020035876 558324966 /nfs/dbraw/zinc/32/49/66/558324966.db2.gz BTFVNCRMWSMGKT-SFHVURJKSA-N 0 0 418.515 2.664 40 0 HFABRN COc1ccc(C2(C(=O)N3CCC(Nc4nc5c(c(=O)[nH]4)CCCC5)CC3)CC2)cc1 ZINC000012113695 558327067 /nfs/dbraw/zinc/32/70/67/558327067.db2.gz BSIXNGLDWLRUIP-UHFFFAOYSA-N 0 0 422.529 2.792 40 0 HFABRN c1cnc(N2CCC[C@@H](c3nc(N4CCOCC4)ncc3-c3cccnc3)C2)nc1 ZINC000012120195 558330513 /nfs/dbraw/zinc/33/05/13/558330513.db2.gz GJPTWBWIZPUEIN-GOSISDBHSA-N 0 0 403.490 2.549 40 0 HFABRN COc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(C)cc2)cc1C(=O)N1CCOCC1 ZINC000020108656 558334565 /nfs/dbraw/zinc/33/45/65/558334565.db2.gz GEQZSHWAGXKIPP-INIZCTEOSA-N 0 0 418.515 2.516 40 0 HFABRN COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCc1ccc(F)cc1 ZINC000020112498 558336312 /nfs/dbraw/zinc/33/63/12/558336312.db2.gz KARGZNVGOMUYDU-UHFFFAOYSA-N 0 0 406.479 2.939 40 0 HFABRN COc1ccc(-c2ccc(=O)n(CC3CCN(C(=O)C4CCC4)CC3)n2)cc1OC ZINC000012156006 558340313 /nfs/dbraw/zinc/34/03/13/558340313.db2.gz JUZNVOYBCHCICA-UHFFFAOYSA-N 0 0 411.502 2.966 40 0 HFABRN CCOC(=O)[C@]1(Cc2ccccc2)N[C@@H](c2ccccc2C)[C@@H]2C(=O)N(CC)C(=O)[C@H]21 ZINC000020150859 558340630 /nfs/dbraw/zinc/34/06/30/558340630.db2.gz OSEWGOBECXGGEX-IZZGNVEXSA-N 0 0 420.509 2.805 40 0 HFABRN Cc1cc2cc3c(cc2n2c(=O)n(CC(=O)N4CCC[C@H]5CCCC[C@@H]54)nc12)OCO3 ZINC000012181722 558343130 /nfs/dbraw/zinc/34/31/30/558343130.db2.gz HVDSBCLMVAXRSW-WBVHZDCISA-N 0 0 422.485 2.868 40 0 HFABRN COc1cccc([C@@]2(O)CC[C@@H]3CN(S(=O)(=O)c4ccc(C(C)=O)cc4)C[C@@H]32)c1 ZINC000012186485 558345725 /nfs/dbraw/zinc/34/57/25/558345725.db2.gz XMPVKHMPJHOXAJ-WTNAPCKOSA-N 0 0 415.511 2.816 40 0 HFABRN C[C@H](Oc1ccccc1F)C(=O)N1CCC(c2cc(=O)[nH]c(-c3cnccn3)n2)CC1 ZINC000012219676 558355077 /nfs/dbraw/zinc/35/50/77/558355077.db2.gz MMXZXZCJTPNZJB-AWEZNQCLSA-N 0 0 423.448 2.952 40 0 HFABRN CC(C)n1c2ccc(S(=O)(=O)NC[C@H](c3ccc(F)cc3)N(C)C)cc2oc1=O ZINC000012220625 558355689 /nfs/dbraw/zinc/35/56/89/558355689.db2.gz GAYZMRDTTMCKIS-GOSISDBHSA-N 0 0 421.494 2.896 40 0 HFABRN CCc1nnsc1C(=O)N1CCC[C@@H](c2nc3ccc(F)cc3cc2C(N)=O)C1 ZINC000012276445 558364244 /nfs/dbraw/zinc/36/42/44/558364244.db2.gz ZSSXSXTXWORCBS-LLVKDONJSA-N 0 0 413.478 2.907 40 0 HFABRN C[C@@H]1Cc2cc(C(=O)NC[C@@H]3CCCO3)ccc2N1S(=O)(=O)c1ccc(F)cc1 ZINC000020449403 558364654 /nfs/dbraw/zinc/36/46/54/558364654.db2.gz KAZTWRNXZNMZDV-KDOFPFPSSA-N 0 0 418.490 2.874 40 0 HFABRN COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)COc1ccccc1OC ZINC000020453871 558367726 /nfs/dbraw/zinc/36/77/26/558367726.db2.gz FJZSWMVRERGSRK-UHFFFAOYSA-N 0 0 420.487 2.506 40 0 HFABRN CCN1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(Cl)c2)CC1 ZINC000020458154 558371206 /nfs/dbraw/zinc/37/12/06/558371206.db2.gz BUFGDBBNSCLEMP-UHFFFAOYSA-N 0 0 407.923 2.919 40 0 HFABRN COCCC(=O)N[C@H]1CC[C@]2(C)CC[C@H]([C@H](C)C(=O)N3CCCC3)[C@H](O)[C@H]2[C@@H]1C ZINC000020467128 558373794 /nfs/dbraw/zinc/37/37/94/558373794.db2.gz LJXAILDTKAXIEE-SRFJVHTCSA-N 0 0 408.583 2.590 40 0 biogenic,in-vitro HFABRN CC[C@@H](Oc1ccccc1OC)C(=O)N1CCC[C@@H](c2nn(C)c3nccnc23)C1 ZINC000012365161 558387666 /nfs/dbraw/zinc/38/76/66/558387666.db2.gz LWYBINZDVQSQDU-HZPDHXFCSA-N 0 0 409.490 2.936 40 0 HFABRN Nc1nc(N2CCCCC2)nc2c1[C@H](C(=O)Nc1cccc(Cl)c1)CC(=O)N2 ZINC000020674017 558398990 /nfs/dbraw/zinc/39/89/90/558398990.db2.gz PPBZVZUCHRCIBA-CYBMUJFWSA-N 0 0 400.870 2.767 40 0 HFABRN CCOC(=O)Cc1c(C(=O)OCC)nnc2c(-c3ccc(F)cc3)c(CC)nn21 ZINC000020797675 558414608 /nfs/dbraw/zinc/41/46/08/558414608.db2.gz HFZCJQXMVAAXFH-UHFFFAOYSA-N 0 0 400.410 2.775 40 0 HFABRN CCNc1nc(N2CCN(c3ncccn3)CC2)nc2c1C(=O)C[C@H](c1ccco1)C2 ZINC000020801925 558415545 /nfs/dbraw/zinc/41/55/45/558415545.db2.gz FFRGUAPAHQPWCF-OAHLLOKOSA-N 0 0 419.489 2.531 40 0 HFABRN CCOC(=O)[C@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@H]1c1cccc(OC)c1 ZINC000020802240 558415782 /nfs/dbraw/zinc/41/57/82/558415782.db2.gz IRTQCRKQURQMMA-UXHICEINSA-N 0 0 423.469 2.807 40 0 HFABRN CCOC(=O)[C@@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@H]1c1ccc(OC)cc1 ZINC000020802063 558415870 /nfs/dbraw/zinc/41/58/70/558415870.db2.gz WZSWDHFLMUGAML-PMACEKPBSA-N 0 0 423.469 2.807 40 0 HFABRN Cn1c(Cc2cccs2)nnc1SCc1nnc2n1c1ccccc1c(=O)n2C ZINC000022052726 558459797 /nfs/dbraw/zinc/45/97/97/558459797.db2.gz DFFAEVNYDYGUPH-UHFFFAOYSA-N 0 0 423.527 2.654 40 0 HFABRN CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21 ZINC000022065949 558461173 /nfs/dbraw/zinc/46/11/73/558461173.db2.gz OQARDMYXSOFTLN-PZAWKZKUSA-N 0 0 406.519 2.920 40 0 in-vitro HFABRN O=C(COc1ccc(Cl)cc1)NCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000022227518 558467414 /nfs/dbraw/zinc/46/74/14/558467414.db2.gz PKPSMAZVWSZNJB-UHFFFAOYSA-N 0 0 408.907 2.820 40 0 HFABRN CCN(CC)C(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1cc(C)ccc1OC ZINC000022246823 558472265 /nfs/dbraw/zinc/47/22/65/558472265.db2.gz XURNHKUHOHWMON-GOSISDBHSA-N 0 0 404.532 2.762 40 0 HFABRN COc1ccc(CCCNC(=O)CN(c2ccc(C)cc2)S(C)(=O)=O)cc1OC ZINC000022327901 558478865 /nfs/dbraw/zinc/47/88/65/558478865.db2.gz NICUNIOQTDQVQK-UHFFFAOYSA-N 0 0 420.531 2.527 40 0 HFABRN Cc1ccc(C)c(N(CC(=O)N[C@H](C)COc2ccccc2C)S(C)(=O)=O)c1 ZINC000022328856 558479080 /nfs/dbraw/zinc/47/90/80/558479080.db2.gz BAGKJFAVEAMUDD-GOSISDBHSA-N 0 0 404.532 2.962 40 0 HFABRN COc1ccc(CCCNC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 ZINC000022331191 558480004 /nfs/dbraw/zinc/48/00/04/558480004.db2.gz CCLDQOGIXBKPDD-UHFFFAOYSA-N 0 0 410.923 2.864 40 0 HFABRN COc1cccc(CCCNC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)c1 ZINC000022331187 558480098 /nfs/dbraw/zinc/48/00/98/558480098.db2.gz SMFVRGUHJHZFJM-UHFFFAOYSA-N 0 0 410.923 2.864 40 0 HFABRN CCOc1ccc(CNC(=O)CN(c2ccccc2F)S(C)(=O)=O)cc1OCC ZINC000022335134 558480908 /nfs/dbraw/zinc/48/09/08/558480908.db2.gz TUSXIERNZYVKJI-UHFFFAOYSA-N 0 0 424.494 2.706 40 0 HFABRN Cc1ccc(OCCNC(=O)CN(c2cccc(Cl)c2C)S(C)(=O)=O)cc1 ZINC000022337230 558481755 /nfs/dbraw/zinc/48/17/55/558481755.db2.gz NPHWJRAUVGDMTB-UHFFFAOYSA-N 0 0 410.923 2.918 40 0 HFABRN Cc1ccccc1OC[C@@H](C)NC(=O)CN(c1c(C)cccc1C)S(C)(=O)=O ZINC000022338664 558482089 /nfs/dbraw/zinc/48/20/89/558482089.db2.gz ULNSFLYYLNOLOH-GOSISDBHSA-N 0 0 404.532 2.962 40 0 HFABRN Cc1cccc(N(CC(=O)N[C@@H](C)COc2ccccc2C)S(C)(=O)=O)c1C ZINC000022340686 558482273 /nfs/dbraw/zinc/48/22/73/558482273.db2.gz WHHFUMRNRGHBMR-KRWDZBQOSA-N 0 0 404.532 2.962 40 0 HFABRN Cc1ccc(C)c([C@H](C)NC(=O)CN(c2ccc3c(c2)OCO3)S(C)(=O)=O)c1 ZINC000022368014 558483676 /nfs/dbraw/zinc/48/36/76/558483676.db2.gz WBUDKOQXBPYFHP-HNNXBMFYSA-N 0 0 404.488 2.676 40 0 HFABRN COC(=O)c1ccc(NC(=O)CN(c2c(C)cc(C)cc2C)S(C)(=O)=O)cc1 ZINC000022383187 558485092 /nfs/dbraw/zinc/48/50/92/558485092.db2.gz UOASTRDUODGHGY-UHFFFAOYSA-N 0 0 404.488 2.803 40 0 HFABRN CCOc1cccc(CNC(=O)CN(c2ccc(OC(C)C)cc2)S(C)(=O)=O)c1 ZINC000022396762 558486671 /nfs/dbraw/zinc/48/66/71/558486671.db2.gz BZBGJXPJYYOJPD-UHFFFAOYSA-N 0 0 420.531 2.955 40 0 HFABRN CCOc1cccc(N(CC(=O)N[C@H](C)COc2ccc(C)cc2)S(C)(=O)=O)c1 ZINC000022425801 558488841 /nfs/dbraw/zinc/48/88/41/558488841.db2.gz GQNUBKCHDRBLOM-QGZVFWFLSA-N 0 0 420.531 2.743 40 0 HFABRN COc1ccc([C@@H](C)NC(=O)CN(c2ccc(C)cc2)S(C)(=O)=O)cc1OC ZINC000022432253 558489463 /nfs/dbraw/zinc/48/94/63/558489463.db2.gz HDCXWSDSGVWRBZ-OAHLLOKOSA-N 0 0 406.504 2.656 40 0 HFABRN COCc1nc(N2CCN(c3ccccc3F)CC2)[nH]c(=O)c1Cc1ccccc1 ZINC000022448596 558489861 /nfs/dbraw/zinc/48/98/61/558489861.db2.gz GVWLFNOVQJYVEK-UHFFFAOYSA-N 0 0 408.477 2.973 40 0 HFABRN COCc1nc(N2CCN(c3cccc(OC)c3)CC2)[nH]c(=O)c1Cc1ccccc1 ZINC000022448623 558489901 /nfs/dbraw/zinc/48/99/01/558489901.db2.gz JTQMEZGNZKNMMO-UHFFFAOYSA-N 0 0 420.513 2.842 40 0 HFABRN COc1ccc(Br)cc1S(=O)(=O)NCCOc1ccc(F)cc1 ZINC000022496128 558492009 /nfs/dbraw/zinc/49/20/09/558492009.db2.gz VKVRJEMBXRFPEO-UHFFFAOYSA-N 0 0 404.257 2.954 40 0 HFABRN CC[C@H](NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C)c1ccc(OC)cc1 ZINC000022518019 558494184 /nfs/dbraw/zinc/49/41/84/558494184.db2.gz JZOKZJPGTGMRRC-IBGZPJMESA-N 0 0 423.510 2.715 40 0 HFABRN O=C(NCCSCc1ccco1)c1ccc(CS(=O)(=O)N2CCCC2)cc1 ZINC000022527571 558496123 /nfs/dbraw/zinc/49/61/23/558496123.db2.gz VOZKQEDFCFTAEL-UHFFFAOYSA-N 0 0 408.545 2.868 40 0 HFABRN CCOc1ccccc1NC(=O)c1cc(OC)c(OC)cc1N(C)S(C)(=O)=O ZINC000013582628 558545288 /nfs/dbraw/zinc/54/52/88/558545288.db2.gz GFBOTAWCKSXQJB-UHFFFAOYSA-N 0 0 408.476 2.751 40 0 HFABRN COCCCN1C(=O)[C@H]2[C@H]3C=Cc4ccccc4N3[C@@H](C(=O)c3ccccc3)[C@@H]2C1=O ZINC000013654282 558558630 /nfs/dbraw/zinc/55/86/30/558558630.db2.gz HZUAFMAHJJKZTE-CIAFKFPVSA-N 0 0 416.477 2.791 40 0 HFABRN C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000013671506 558562588 /nfs/dbraw/zinc/56/25/88/558562588.db2.gz FWEXLQYFQQCGQO-LSDHHAIUSA-N 0 0 416.499 2.590 40 0 HFABRN COc1ccc(N(CCCC(=O)NCc2ccccn2)S(C)(=O)=O)cc1Cl ZINC000013678462 558565342 /nfs/dbraw/zinc/56/53/42/558565342.db2.gz YIGMDRMSJUNAFA-UHFFFAOYSA-N 0 0 411.911 2.606 40 0 HFABRN COC[C@@H](C)NC(=O)C1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1 ZINC000013678821 558565485 /nfs/dbraw/zinc/56/54/85/558565485.db2.gz YVYGQMKHHDVQAP-GFCCVEGCSA-N 0 0 423.362 2.686 40 0 HFABRN COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCSC(C)(C)C)C2)cc1 ZINC000013680041 558566186 /nfs/dbraw/zinc/56/61/86/558566186.db2.gz KNDKPAFXNOZHJH-HNNXBMFYSA-N 0 0 414.593 2.744 40 0 HFABRN Cc1ccc(C)c(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 ZINC000013710465 558575617 /nfs/dbraw/zinc/57/56/17/558575617.db2.gz DBEQSAHGBRAFIZ-KRWDZBQOSA-N 0 0 418.515 2.730 40 0 HFABRN CC[C@H](C(=O)N1CCN(Cc2ccccc2)CC1)N(c1ccccc1)S(C)(=O)=O ZINC000013711317 558576038 /nfs/dbraw/zinc/57/60/38/558576038.db2.gz NZQSETBFCLLEFL-OAQYLSRUSA-N 0 0 415.559 2.576 40 0 HFABRN CC[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013712866 558577016 /nfs/dbraw/zinc/57/70/16/558577016.db2.gz ZDKWDPZDVHGICF-INIZCTEOSA-N 0 0 409.895 2.622 40 0 HFABRN CC[C@H](C(=O)Nc1ccc(C(N)=O)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013712864 558577034 /nfs/dbraw/zinc/57/70/34/558577034.db2.gz ZDKWDPZDVHGICF-MRXNPFEDSA-N 0 0 409.895 2.622 40 0 HFABRN CC[C@H](C(=O)NCCc1ccc(OC)cc1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000013715384 558578856 /nfs/dbraw/zinc/57/88/56/558578856.db2.gz IASYFHXTBGLLEE-LJQANCHMSA-N 0 0 408.495 2.738 40 0 HFABRN COCc1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(OC)cc3)C2)c1 ZINC000025335336 558638908 /nfs/dbraw/zinc/63/89/08/558638908.db2.gz ANMBDYZGJWSFCB-QGZVFWFLSA-N 0 0 418.515 2.881 40 0 HFABRN O=C(NC1CCCCC1)[C@@H]1[C@H]2C=C[C@]3(CN(CCc4c[nH]c5ccccc45)C(=O)[C@H]13)O2 ZINC000026690443 558664512 /nfs/dbraw/zinc/66/45/12/558664512.db2.gz BHRADLNCZJJIAN-ILSIFQBBSA-N 0 0 419.525 2.941 40 0 HFABRN COc1ccccc1N1CCN(C[C@@H](O)COc2cccc(-c3nnc(C)o3)c2)CC1 ZINC000026892447 558666287 /nfs/dbraw/zinc/66/62/87/558666287.db2.gz FYKZHAJQLBLBJO-LJQANCHMSA-N 0 0 424.501 2.616 40 0 in-man HFABRN CN1CCN(S(=O)(=O)c2cccc(C(=O)Nc3ccc(F)c(Cl)c3)c2)CC1 ZINC000015014831 558701382 /nfs/dbraw/zinc/70/13/82/558701382.db2.gz HRCCDILXZMLERG-UHFFFAOYSA-N 0 0 411.886 2.668 40 0 HFABRN Cc1ccc(S(=O)(=O)N2CCN(C(=O)COc3cc(C)cc(C)c3C)CC2)cc1 ZINC000029463301 558715596 /nfs/dbraw/zinc/71/55/96/558715596.db2.gz WFQKCZDOIZHMOQ-UHFFFAOYSA-N 0 0 416.543 2.832 40 0 HFABRN CC(C)[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)/N=c1\sccn1C ZINC000029650199 558718316 /nfs/dbraw/zinc/71/83/16/558718316.db2.gz NXVTZVBIASWRRF-SKQREZPOSA-N 0 0 403.529 2.670 40 0 HFABRN Cc1cccc(-n2c(COc3ccccc3)cn3c2nc2c3c(=O)n(C)c(=O)n2C)c1 ZINC000015080901 558718922 /nfs/dbraw/zinc/71/89/22/558718922.db2.gz GEXGYZXRGBPBJB-UHFFFAOYSA-N 0 0 415.453 2.563 40 0 HFABRN COc1ccccc1NC(=O)[C@H]1[C@H](c2ccc(O)cc2)c2c(=O)[nH][nH]c2C[C@@]1(C)O ZINC000015105987 558722910 /nfs/dbraw/zinc/72/29/10/558722910.db2.gz LNGXDEQYOTWJKC-SFGWALBWSA-N 0 0 409.442 2.523 40 0 HFABRN COc1ccc(CN(C)S(=O)(=O)c2ccc(N3CCCC3=O)cc2)c(OC)c1 ZINC000030502982 558731046 /nfs/dbraw/zinc/73/10/46/558731046.db2.gz PGFCDVXAPWLSBF-UHFFFAOYSA-N 0 0 404.488 2.651 40 0 HFABRN CC(=O)N1CCCc2cc(S(=O)(=O)N[C@H](C)c3ccc4c(c3)OCCO4)ccc21 ZINC000015327332 558733849 /nfs/dbraw/zinc/73/38/49/558733849.db2.gz RJZVCGCETWVPLC-CQSZACIVSA-N 0 0 416.499 2.796 40 0 HFABRN C[C@H](CCc1ccccc1)NC(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C ZINC000030851739 558740102 /nfs/dbraw/zinc/74/01/02/558740102.db2.gz BHAGHJZPXVYQDL-MRXNPFEDSA-N 0 0 407.511 2.576 40 0 HFABRN CS(=O)(=O)Nc1ccc(Cl)c(C(=O)NCc2ccc(-n3ccnc3)cc2)c1 ZINC000030866399 558742715 /nfs/dbraw/zinc/74/27/15/558742715.db2.gz WHSKJZNIBQGODD-UHFFFAOYSA-N 0 0 404.879 2.827 40 0 HFABRN O=C(NCCc1c[nH]c2ccccc12)[C@@H]1[C@H]2C=C[C@]3(CN(c4ccccc4)C(=O)[C@H]13)O2 ZINC000015894251 558761084 /nfs/dbraw/zinc/76/10/84/558761084.db2.gz JYQUDPGXVRCCHZ-ILSIFQBBSA-N 0 0 413.477 2.813 40 0 biogenic HFABRN COc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)Nc1cccc(C(C)=O)c1 ZINC000016322013 558786183 /nfs/dbraw/zinc/78/61/83/558786183.db2.gz GWKZVAQSOWKLMI-UHFFFAOYSA-N 0 0 410.879 2.810 40 0 HFABRN Cc1ccc2occ(C(NC(=O)c3cccnc3)NC(=O)c3cccnc3)c(=O)c2c1 ZINC000016348239 558787495 /nfs/dbraw/zinc/78/74/95/558787495.db2.gz UABNVCRWQTYAJP-UHFFFAOYSA-N 0 0 414.421 2.750 40 0 HFABRN CCN(CC(=O)N1CCN(c2cccc(Cl)c2)CC1)S(=O)(=O)c1ccccc1 ZINC000016678329 558799076 /nfs/dbraw/zinc/79/90/76/558799076.db2.gz RXCGLQACSIEDIM-UHFFFAOYSA-N 0 0 421.950 2.699 40 0 HFABRN COC(=O)c1ccc(-n2nnnc2-c2ccc(I)s2)cc1 ZINC000073641629 558809502 /nfs/dbraw/zinc/80/95/02/558809502.db2.gz KFSQVZRPZXRZHV-UHFFFAOYSA-N 0 0 412.212 2.782 40 0 HFABRN CN(C)S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000038754794 558814253 /nfs/dbraw/zinc/81/42/53/558814253.db2.gz KLOXYBOSNRNVPR-MRXNPFEDSA-N 0 0 403.504 2.936 40 0 HFABRN CS(=O)(=O)N(CC(=O)NCc1ccc(-n2ccnc2)cc1)c1cccc(Cl)c1 ZINC000038756008 558814720 /nfs/dbraw/zinc/81/47/20/558814720.db2.gz LWUILMPGVWCLOD-UHFFFAOYSA-N 0 0 418.906 2.608 40 0 HFABRN COc1ccc(N(CC(=O)N[C@H](C)c2ccc(C)cc2)S(C)(=O)=O)cc1OC ZINC000038756410 558814754 /nfs/dbraw/zinc/81/47/54/558814754.db2.gz RGERHAHMWBMOIM-OAHLLOKOSA-N 0 0 406.504 2.656 40 0 HFABRN Cc1cccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4[C@@H](C)CCC[C@@H]4C)[nH]c(=O)c32)c1 ZINC000038828468 558815986 /nfs/dbraw/zinc/81/59/86/558815986.db2.gz BNRHNBQNTNTPIL-DZKIICNBSA-N 0 0 409.490 2.910 40 0 HFABRN COc1ccc(N2CN(CCCO)Cn3c(=O)c(Cc4ccccc4)c(C)nc32)cc1 ZINC000038829967 558816384 /nfs/dbraw/zinc/81/63/84/558816384.db2.gz GDWUTVJPRLIHJU-UHFFFAOYSA-N 0 0 420.513 2.902 40 0 HFABRN CS(=O)(=O)N1C[C@H](C(=O)Nc2ccccc2C(F)(F)F)Oc2ccccc21 ZINC000038849824 558818615 /nfs/dbraw/zinc/81/86/15/558818615.db2.gz UOMSREUOWKNZEL-OAHLLOKOSA-N 0 0 400.378 2.871 40 0 HFABRN O=C(C[C@@H]1C(=O)N(C2CC2)c2nc3ccccc3n21)Nc1ccc2c(c1)OCCO2 ZINC000039964132 558823200 /nfs/dbraw/zinc/82/32/00/558823200.db2.gz MAFSJHACJMYHSL-QGZVFWFLSA-N 0 0 404.426 2.886 40 0 HFABRN CCN(CC(=O)N[C@@H](C)CCc1ccccc1)S(=O)(=O)c1ccc(OC)cc1 ZINC000039985901 558823679 /nfs/dbraw/zinc/82/36/79/558823679.db2.gz WGMHNPCRRKPMPL-KRWDZBQOSA-N 0 0 404.532 2.843 40 0 HFABRN CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2cccc(NC(C)=O)c2)cc1 ZINC000039986145 558823825 /nfs/dbraw/zinc/82/38/25/558823825.db2.gz UZZYJDBQAHRXOR-UHFFFAOYSA-N 0 0 419.503 2.693 40 0 HFABRN CC(C)(C)C(=O)[C@H]1[C@@H]2C(=O)NC(=O)[C@@H]2[C@H]2C=Cc3cc(Br)ccc3N21 ZINC000101092734 558826905 /nfs/dbraw/zinc/82/69/05/558826905.db2.gz SQIIDXZKTKKGEG-KBUPBQIOSA-N 0 0 403.276 2.537 40 0 HFABRN COc1ccc(CCn2nnnc2[C@@H](C(C)C)N2CCC(C(N)=O)CC2)cc1OC ZINC000082061326 558827555 /nfs/dbraw/zinc/82/75/55/558827555.db2.gz ASFBLJDTBFNXEY-LJQANCHMSA-N 0 0 416.526 2.877 40 0 HFABRN COc1ccccc1CN(C)C(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000018076164 558830589 /nfs/dbraw/zinc/83/05/89/558830589.db2.gz WXKXPPOEZCIRHZ-UHFFFAOYSA-N 0 0 420.506 2.894 40 0 HFABRN CC(C)C(=O)N1CCC(c2nc([C@@H]3CCCN(C(=O)C(C)C)C3)cc(=O)[nH]2)CC1 ZINC000019085238 558841155 /nfs/dbraw/zinc/84/11/55/558841155.db2.gz XQJGXUGJJCDSIJ-QGZVFWFLSA-N 0 0 402.539 2.906 40 0 HFABRN O=C(COc1ccc(Br)cc1)NCc1cccc(CN2CCOCC2)c1 ZINC000047227435 558841893 /nfs/dbraw/zinc/84/18/93/558841893.db2.gz OJVZGPJZLJTQQW-UHFFFAOYSA-N 0 0 419.319 2.977 40 0 HFABRN Cc1cc(-c2cnc(N3CCCC3)nc2C2CCN(C(=O)[C@@H]3CCCO3)CC2)on1 ZINC000019122793 558843896 /nfs/dbraw/zinc/84/38/96/558843896.db2.gz MDKHKZZILMPAHF-SFHVURJKSA-N 0 0 411.506 2.925 40 0 HFABRN Cc1cc(-c2cncnc2-c2ccc(CNC(=O)CN3C[C@H](C)O[C@@H](C)C3)cc2)on1 ZINC000019124321 558844245 /nfs/dbraw/zinc/84/42/45/558844245.db2.gz PDGZNRYCXRQXTJ-IRXDYDNUSA-N 0 0 421.501 2.832 40 0 HFABRN COCCCNc1ncc(-c2cc(C)no2)c(-c2ccc(N3CCOCC3)nc2)n1 ZINC000019124012 558844278 /nfs/dbraw/zinc/84/42/78/558844278.db2.gz DZPLIEUTGUMNMY-UHFFFAOYSA-N 0 0 410.478 2.787 40 0 HFABRN Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H]([C@H]1CCCN(C(=O)[C@@H]3CC(=O)OC3(C)C)C1)N2 ZINC000019127501 558844896 /nfs/dbraw/zinc/84/48/96/558844896.db2.gz CTQOYUHIDPVQJF-ZQDZILKHSA-N 0 0 410.465 2.762 40 0 HFABRN Cc1ccc(C(=O)NCCn2ncc(-c3cnccn3)c2-c2cccs2)c(=O)n1C ZINC000019131775 558845487 /nfs/dbraw/zinc/84/54/87/558845487.db2.gz SMITVYPATDBUKP-UHFFFAOYSA-N 0 0 420.498 2.506 40 0 HFABRN Cc1ccc(CC(=O)N2CCC(c3n[nH]cc3C(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)cc1 ZINC000019209311 558847924 /nfs/dbraw/zinc/84/79/24/558847924.db2.gz JTMGXNCVQARIMF-QZTJIDSGSA-N 0 0 424.545 2.916 40 0 HFABRN Cc1ccc(CS(=O)(=O)N2C[C@@H](c3cccc(C)n3)[C@]3(C2)CCCC(=O)N3)cc1 ZINC000019210479 558848215 /nfs/dbraw/zinc/84/82/15/558848215.db2.gz GCRMGEJNKFQSNX-SIKLNZKXSA-N 0 0 413.543 2.667 40 0 HFABRN Cc1ccc(-n2ncc3c2N(CC(=O)NC2CCCC2)C(=O)N2CCCN=C32)cc1 ZINC000019213371 558849120 /nfs/dbraw/zinc/84/91/20/558849120.db2.gz STCLWGZUANXCKD-UHFFFAOYSA-N 0 0 406.490 2.632 40 0 HFABRN Cc1ccnn1CCC(=O)NCCNc1nc(-c2ccncc2)cc2ncccc21 ZINC000019238502 558857375 /nfs/dbraw/zinc/85/73/75/558857375.db2.gz RNSGQNUQQQBSMU-UHFFFAOYSA-N 0 0 401.474 2.815 40 0 HFABRN COc1ccc2c(c1)OC1(CCN(CC(=O)Nc3nc(C)cs3)CC1)CC2=O ZINC000019240264 558858900 /nfs/dbraw/zinc/85/89/00/558858900.db2.gz JJLJCJDVIUYVLQ-UHFFFAOYSA-N 0 0 401.488 2.899 40 0 HFABRN COc1cc(C(=O)N[C@H](Cc2c[nH]c3ccccc23)c2cc(=O)[nH]c(C)n2)ccn1 ZINC000019285155 558859724 /nfs/dbraw/zinc/85/97/24/558859724.db2.gz IFYMSWIOEIXAGP-GOSISDBHSA-N 0 0 403.442 2.677 40 0 HFABRN O=S(=O)(c1ccc(F)cc1)N1CCC[C@@H](Cn2nnc(-c3cccs3)n2)C1 ZINC000019344959 558873156 /nfs/dbraw/zinc/87/31/56/558873156.db2.gz UKJPTHNOOPNMAY-CYBMUJFWSA-N 0 0 407.496 2.642 40 0 HFABRN O=C(C1CCC1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)CCN(Cc1ccccc1F)C2 ZINC000019349384 558874876 /nfs/dbraw/zinc/87/48/76/558874876.db2.gz RURKWCSBQRKZPF-FQEVSTJZSA-N 0 0 410.493 2.931 40 0 HFABRN O=C(COc1ccccc1F)N1CCC(c2nc(-c3nccs3)cc(=O)[nH]2)CC1 ZINC000019350177 558875537 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560602637 /nfs/dbraw/zinc/60/26/37/560602637.db2.gz BVXHZCJFJSGCEB-UHFFFAOYSA-N 0 0 411.483 2.976 40 0 HFABRN O=C(CSc1nnnn1-c1ccc2c(c1)CCC2)Nc1ccc2c(c1)OCCO2 ZINC000004373482 560605527 /nfs/dbraw/zinc/60/55/27/560605527.db2.gz CQHKRHILXHUJAN-UHFFFAOYSA-N 0 0 409.471 2.653 40 0 aggregator HFABRN CCOc1ccc(NC(=O)C[S@](=O)CC(=O)N[C@H]2CCCc3ccccc32)cc1 ZINC000004383587 560605609 /nfs/dbraw/zinc/60/56/09/560605609.db2.gz BPLLTAWYLNBDKP-AFJIDDCJSA-N 0 0 414.527 2.966 40 0 HFABRN CC(C)OCCCNC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000004497861 560606497 /nfs/dbraw/zinc/60/64/97/560606497.db2.gz ISVQWNNVOLJSDC-UHFFFAOYSA-N 0 0 402.944 2.672 40 0 HFABRN COc1cc(C(=O)O[C@@H]2CSC[C@H]2NC(=O)c2ccccc2)cc(OC)c1OC ZINC000004501819 560606610 /nfs/dbraw/zinc/60/66/10/560606610.db2.gz XDSKELAKFJLTMS-CRAIPNDOSA-N 0 0 417.483 2.783 40 0 HFABRN O=C(CCC(=O)N(CC(=O)NCc1ccco1)C1CCCCC1)Nc1nccs1 ZINC000004848418 560610152 /nfs/dbraw/zinc/61/01/52/560610152.db2.gz QSKRQPUXDBGHNT-UHFFFAOYSA-N 0 0 418.519 2.933 40 0 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O=C(CN1C(=O)S/C(=C/c2cccn2-c2ccc(F)cc2)C1=O)N1CCOCC1 ZINC000409138946 560683035 /nfs/dbraw/zinc/68/30/35/560683035.db2.gz KHDBUJPDQDDLEJ-SFQUDFHCSA-N 0 0 415.446 2.512 40 0 HFABRN COC(=O)CN1C(=O)C(=Cc2ccc(-c3ccc(Br)cc3)o2)NC1=S ZINC000409209354 560692219 /nfs/dbraw/zinc/69/22/19/560692219.db2.gz DTUHHWKIKSGTRX-JYRVWZFOSA-N 0 0 421.272 2.940 40 0 HFABRN CCCCNC(=O)CN1C(=O)S/C(=C\c2cc(OC)c(OC)c(OC)c2)C1=O ZINC000409219458 560697864 /nfs/dbraw/zinc/69/78/64/560697864.db2.gz QSHLVDIIVAHVCC-GDNBJRDFSA-N 0 0 408.476 2.665 40 0 HFABRN CCOC(=O)C1=C(C)N=C2SC=CN2[C@@H]1c1ccc(OCC(N)=O)c(OCC)c1 ZINC000409375858 560716203 /nfs/dbraw/zinc/71/62/03/560716203.db2.gz PZUVPBUJHNAMMO-GOSISDBHSA-N 0 0 417.487 2.717 40 0 HFABRN Cc1ccc(NC(=O)COc2cccc([C@@H]3CC(=O)N=C4N=CNN43)c2)cc1Cl ZINC000409375199 560717119 /nfs/dbraw/zinc/71/71/19/560717119.db2.gz GZXFRNOHEMZPDO-KRWDZBQOSA-N 0 0 411.849 2.842 40 0 HFABRN COc1cc([C@H]2CC(=O)N=C3N=CNN32)ccc1OCC(=O)Nc1ccc(C)cc1C ZINC000409377237 560718077 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401.532 2.800 40 0 HFABRN CSC1=NC(=O)C2=c3ccccc3=N[C@@H](c3ccc(-c4ccc(F)cc4)o3)N2N1 ZINC000588225741 560743001 /nfs/dbraw/zinc/74/30/01/560743001.db2.gz YBDNXVOQOVFFBN-LJQANCHMSA-N 0 0 406.442 2.592 40 0 HFABRN CCCCCSC1=NC(=O)C2=c3cc(Br)ccc3=N[C@@](C)(CC)N2N1 ZINC000588226764 560743228 /nfs/dbraw/zinc/74/32/28/560743228.db2.gz ZWZKEIGSGROTFE-GOSISDBHSA-N 0 0 423.380 2.943 40 0 HFABRN CSC1=NC(=O)C2=c3ccccc3=N[C@@H](c3cccc(Oc4ccccc4)c3)N2N1 ZINC000588227195 560743412 /nfs/dbraw/zinc/74/34/12/560743412.db2.gz QZTLNDWVFDCVNT-OAQYLSRUSA-N 0 0 414.490 2.985 40 0 HFABRN CCCSC1=NC(=O)C2=c3ccccc3=N[C@H](c3c(F)cccc3Cl)N2N1 ZINC000588228357 560743656 /nfs/dbraw/zinc/74/36/56/560743656.db2.gz OKPQOGDMKPGGPY-KRWDZBQOSA-N 0 0 402.882 2.765 40 0 HFABRN CCCNC(=O)c1ccccc1NC(=O)CN(c1c(C)cccc1C)S(C)(=O)=O ZINC000006879956 560747633 /nfs/dbraw/zinc/74/76/33/560747633.db2.gz IUAUXHWNOLJEIP-UHFFFAOYSA-N 0 0 417.531 2.848 40 0 HFABRN CCOCCCNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1 ZINC000006957827 560748627 /nfs/dbraw/zinc/74/86/27/560748627.db2.gz JHOKKNDEGZDGFT-UHFFFAOYSA-N 0 0 408.495 2.559 40 0 HFABRN COC(=O)c1ccc(N2CCOCC2)c(NC(=S)NC(=O)c2ccccc2F)c1 ZINC000007389015 560750760 /nfs/dbraw/zinc/75/07/60/560750760.db2.gz RWHVWOVCRPIHID-UHFFFAOYSA-N 0 0 417.462 2.576 40 0 HFABRN O=C(Nc1ccccc1C(=O)NC[C@@H]1CCCO1)c1ccc(N2CCOCC2)cc1 ZINC000007504896 560751453 /nfs/dbraw/zinc/75/14/53/560751453.db2.gz SFEYJUXQKMWCSU-IBGZPJMESA-N 0 0 409.486 2.684 40 0 HFABRN CCCNS(=O)(=O)c1cc(C(=O)Nc2ccc(OC)c(OC)c2)ccc1OC ZINC000009063893 560757450 /nfs/dbraw/zinc/75/74/50/560757450.db2.gz RCWCWKQQKVGVNS-UHFFFAOYSA-N 0 0 408.476 2.653 40 0 HFABRN COc1ccc2nc(SCC(=O)Nc3ncc4c(n3)CCCC4=O)nc(C)c2c1 ZINC000009287344 560757705 /nfs/dbraw/zinc/75/77/05/560757705.db2.gz IFECKURZICDODY-UHFFFAOYSA-N 0 0 409.471 2.987 40 0 HFABRN CCOC(=O)[C@@H]1C(=O)N(CCCOC)c2nc3ccccc3n2[C@H]1c1ccncc1 ZINC000009262395 560758296 /nfs/dbraw/zinc/75/82/96/560758296.db2.gz MWORMWOMNZVDRF-OALUTQOASA-N 0 0 408.458 2.583 40 0 HFABRN C[C@H]1Cc2ccccc2N1C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC000010449959 560769653 /nfs/dbraw/zinc/76/96/53/560769653.db2.gz NYRXDPDTUOXLDE-AWEZNQCLSA-N 0 0 420.918 2.952 40 0 HFABRN COc1ccc(S(=O)(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)cc1C(F)(F)F ZINC000012428061 560780529 /nfs/dbraw/zinc/78/05/29/560780529.db2.gz HIBKUHOLDOQUOP-UHFFFAOYSA-N 0 0 415.393 2.705 40 0 HFABRN COc1ccc(CNC(=O)CN(Cc2ccc(C)cc2)C(=O)c2csnn2)cc1 ZINC000012471853 560780946 /nfs/dbraw/zinc/78/09/46/560780946.db2.gz FVHDRTOSFQFQRY-UHFFFAOYSA-N 0 0 410.499 2.814 40 0 HFABRN COc1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1C(=O)N1CCOCC1 ZINC000113939668 560806498 /nfs/dbraw/zinc/80/64/98/560806498.db2.gz JKRCVUZYPKIMOQ-UHFFFAOYSA-N 0 0 404.488 2.585 40 0 HFABRN COc1ccc(NC(=O)CCCN(c2ccc3c(c2)OCO3)S(C)(=O)=O)cc1 ZINC000113943756 560806942 /nfs/dbraw/zinc/80/69/42/560806942.db2.gz HVSHEEPVOQGPQN-UHFFFAOYSA-N 0 0 406.460 2.609 40 0 HFABRN CC(C)OCCCNC(=O)COc1ccc(N(C)S(=O)(=O)c2ccccc2)cc1 ZINC000013584815 560814971 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CCOC(=O)c1ccc(C)c(NC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000219011239 568485911 /nfs/dbraw/zinc/48/59/11/568485911.db2.gz UEVGZSFKUGFCMM-UHFFFAOYSA-N 0 0 404.488 2.739 40 0 HFABRN COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000219019666 568485982 /nfs/dbraw/zinc/48/59/82/568485982.db2.gz ZIXQMQJKKIEXRL-JZXOWHBKSA-N 0 0 412.486 2.755 40 0 HFABRN CC[C@H](C(=O)NCCCN(C)c1ccccc1)N(c1ccccc1)S(C)(=O)=O ZINC000219091206 568486701 /nfs/dbraw/zinc/48/67/01/568486701.db2.gz YRKCOSUAFMEAQZ-HXUWFJFHSA-N 0 0 403.548 2.874 40 0 HFABRN Cc1ccc2cc([C@H](c3nnnn3C3CCCC3)N3CCC(O)CC3)c(=O)[nH]c2c1C ZINC000057589679 568492837 /nfs/dbraw/zinc/49/28/37/568492837.db2.gz YHUUWUOGBLILHD-OAQYLSRUSA-N 0 0 422.533 2.793 40 0 HFABRN COc1ccc(-c2noc(CNC(=O)[C@H](C)Oc3ccccc3OC)n2)c(OC)c1 ZINC000219505919 568493687 /nfs/dbraw/zinc/49/36/87/568493687.db2.gz NFVIZNVBUWUDLV-ZDUSSCGKSA-N 0 0 413.430 2.846 40 0 HFABRN Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)Oc3ccc(C)cc3C)CC2)cc1 ZINC000219528463 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2.700 40 0 HFABRN CCOC(=O)c1ccc(NC(=O)[C@@H](C)N(c2cccc(F)c2)S(C)(=O)=O)cc1 ZINC000220465880 568505882 /nfs/dbraw/zinc/50/58/82/568505882.db2.gz PAMCGKVFFQSADY-CYBMUJFWSA-N 0 0 408.451 2.796 40 0 HFABRN CCOC(=O)c1cccc(NC(=O)[C@@H](C)N(c2cccc(F)c2)S(C)(=O)=O)c1 ZINC000220484285 568506030 /nfs/dbraw/zinc/50/60/30/568506030.db2.gz BZDQSOJYTOJVHR-CYBMUJFWSA-N 0 0 408.451 2.796 40 0 HFABRN CC[C@H](C(=O)NCc1ccc2c(c1)OCO2)N(c1cccc(C)c1)S(C)(=O)=O ZINC000220509081 568506218 /nfs/dbraw/zinc/50/62/18/568506218.db2.gz YRISQEZPJGLZJH-QGZVFWFLSA-N 0 0 404.488 2.585 40 0 HFABRN CC[C@@H](C(=O)NCCSC(C)(C)C)N(c1cccc(OC)c1)S(C)(=O)=O ZINC000220618669 568507520 /nfs/dbraw/zinc/50/75/20/568507520.db2.gz TWSBEISVROLLNJ-INIZCTEOSA-N 0 0 402.582 2.888 40 0 HFABRN CCOc1cccc(CNC(=O)[C@@H](CC)N(c2cccc(OC)c2)S(C)(=O)=O)c1 ZINC000220629736 568507748 /nfs/dbraw/zinc/50/77/48/568507748.db2.gz IQQQPVPYLAFVBW-HXUWFJFHSA-N 0 0 420.531 2.955 40 0 HFABRN CC[C@H](C(=O)N(C)Cc1ccc(OC)cc1)N(c1ccc(OC)cc1)S(C)(=O)=O ZINC000220635078 568507750 /nfs/dbraw/zinc/50/77/50/568507750.db2.gz NSSJCPQINXCSGO-HXUWFJFHSA-N 0 0 420.531 2.907 40 0 HFABRN CC[C@@H](C(=O)NCCCc1ccccc1)N(c1ccc(OC)cc1)S(C)(=O)=O ZINC000220653621 568507993 /nfs/dbraw/zinc/50/79/93/568507993.db2.gz QRDQBLXUUNDZIC-FQEVSTJZSA-N 0 0 404.532 2.989 40 0 HFABRN CCOc1ccc(N([C@H](CC)C(=O)NCc2ccccc2OC)S(C)(=O)=O)cc1 ZINC000220667678 568508177 /nfs/dbraw/zinc/50/81/77/568508177.db2.gz YQVIEDGTFODDRQ-LJQANCHMSA-N 0 0 420.531 2.955 40 0 HFABRN Cc1ccc(-c2noc(CN(C)C(=O)c3cccc(N(C)S(C)(=O)=O)c3)n2)cc1 ZINC000222424782 568515546 /nfs/dbraw/zinc/51/55/46/568515546.db2.gz VWLMMDCWUGFQCZ-UHFFFAOYSA-N 0 0 414.487 2.713 40 0 HFABRN COc1ccc(N([C@@H](C)C(=O)N[C@@H](C)c2ccccc2OC)S(C)(=O)=O)cc1 ZINC000222570888 568518744 /nfs/dbraw/zinc/51/87/44/568518744.db2.gz ODHHATFVUCJMCP-GJZGRUSLSA-N 0 0 406.504 2.736 40 0 HFABRN COc1ccc(OC[C@@H](C)NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2)cc1 ZINC000222585774 568519476 /nfs/dbraw/zinc/51/94/76/568519476.db2.gz JMMLNPKHTLELJO-MRXNPFEDSA-N 0 0 418.515 2.823 40 0 HFABRN COc1ccc(N(CCCC(=O)N2CCc3ccccc3C2)S(C)(=O)=O)cc1 ZINC000222599363 568520017 /nfs/dbraw/zinc/52/00/17/568520017.db2.gz VIPWUIXABPLVMO-UHFFFAOYSA-N 0 0 402.516 2.826 40 0 HFABRN CC(C)CSc1nnc(NC(=O)CN(C)S(=O)(=O)c2ccccc2)s1 ZINC000222606345 568520359 /nfs/dbraw/zinc/52/03/59/568520359.db2.gz YNCMROLJDZKLLH-UHFFFAOYSA-N 0 0 400.551 2.545 40 0 HFABRN CCOc1ccccc1N(CCCC(=O)Nc1ccc2c(c1)OCO2)S(C)(=O)=O ZINC000222610164 568520519 /nfs/dbraw/zinc/52/05/19/568520519.db2.gz LLTCQKKHLMXXOW-UHFFFAOYSA-N 0 0 420.487 2.999 40 0 HFABRN CCOC(=O)c1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)CC)C2)cc1Cl ZINC000222615128 568520719 /nfs/dbraw/zinc/52/07/19/568520719.db2.gz DTFHZXJFUPATSW-GFCCVEGCSA-N 0 0 402.900 2.517 40 0 HFABRN CCOc1ccc(N(CCCC(=O)Nc2ccc3c(c2)OCO3)S(C)(=O)=O)cc1 ZINC000222618181 568520947 /nfs/dbraw/zinc/52/09/47/568520947.db2.gz LWQQVTCYGJINOI-UHFFFAOYSA-N 0 0 420.487 2.999 40 0 HFABRN COc1ccc(F)cc1S(=O)(=O)N1CCC[C@@H](C(=O)N(C)c2ccccc2)C1 ZINC000222625488 568521272 /nfs/dbraw/zinc/52/12/72/568521272.db2.gz AMMAZFPPILEYCH-OAHLLOKOSA-N 0 0 406.479 2.898 40 0 HFABRN Cc1ccc(S(=O)(=O)N2CCN(C(=O)CSCc3ccccc3F)CC2)cc1 ZINC000222707293 568524283 /nfs/dbraw/zinc/52/42/83/568524283.db2.gz OKOFOQVIMWALPP-UHFFFAOYSA-N 0 0 422.547 2.900 40 0 HFABRN CCC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](C)c3ccc4c(c3)OCCO4)ccc21 ZINC000222740986 568525224 /nfs/dbraw/zinc/52/52/24/568525224.db2.gz KADNXZHVLXLMRC-AWEZNQCLSA-N 0 0 416.499 2.796 40 0 HFABRN COc1cccc(OC)c1CNC(=O)CCc1ccc(S(=O)(=O)NC(C)C)cc1 ZINC000222847731 568528333 /nfs/dbraw/zinc/52/83/33/568528333.db2.gz YGIRZMOLZRQNAV-UHFFFAOYSA-N 0 0 420.531 2.640 40 0 HFABRN CCCNS(=O)(=O)c1ccc(CCC(=O)N(C)Cc2ccc(OC)cc2)cc1 ZINC000222870432 568529086 /nfs/dbraw/zinc/52/90/86/568529086.db2.gz QWBIORGGQLIGED-UHFFFAOYSA-N 0 0 404.532 2.975 40 0 HFABRN CCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(OC)c(OC)c1 ZINC000222882176 568529476 /nfs/dbraw/zinc/52/94/76/568529476.db2.gz ALDMIXLNYOWMPO-OAHLLOKOSA-N 0 0 402.466 2.939 40 0 HFABRN CCCSc1nnc(NC(=O)CN(c2ccccc2F)S(C)(=O)=O)s1 ZINC000222939385 568531775 /nfs/dbraw/zinc/53/17/75/568531775.db2.gz FNDMHFVDWWQXEQ-UHFFFAOYSA-N 0 0 404.514 2.584 40 0 HFABRN COc1ccc(CN(C(C)=O)[C@H](C)C(=O)NCCc2ccc(OC)c(OC)c2)cc1 ZINC000222973299 568532746 /nfs/dbraw/zinc/53/27/46/568532746.db2.gz PRPRDVFVHRVUKI-MRXNPFEDSA-N 0 0 414.502 2.808 40 0 HFABRN COC(=O)[C@H]1CN(S(=O)(=O)c2cc(C(C)C)ccc2OC)c2ccccc2O1 ZINC000223013007 568534383 /nfs/dbraw/zinc/53/43/83/568534383.db2.gz NCURZWBVIIWHQA-GOSISDBHSA-N 0 0 405.472 2.948 40 0 HFABRN CCOC(=O)C1(c2ccc(NS(=O)(=O)c3ccc4[nH]c(=O)oc4c3)cc2)CC1 ZINC000223028149 568534784 /nfs/dbraw/zinc/53/47/84/568534784.db2.gz ALTIERZCAUGEJK-UHFFFAOYSA-N 0 0 402.428 2.517 40 0 HFABRN COc1ccc([C@H](C)NC(=O)COc2ccc(S(=O)(=O)NC3CC3)cc2C)cc1 ZINC000223058367 568535943 /nfs/dbraw/zinc/53/59/43/568535943.db2.gz GLMGIUCQCMNNBU-HNNXBMFYSA-N 0 0 418.515 2.701 40 0 HFABRN Cc1cc(S(=O)(=O)NC2CC2)ccc1OCC(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000223058573 568536086 /nfs/dbraw/zinc/53/60/86/568536086.db2.gz PVITXXFNYIUYTB-AWEZNQCLSA-N 0 0 406.479 2.831 40 0 HFABRN Cc1ncc(C(=O)N2c3ccc(S(=O)(=O)N4CCCCC4)cc3C[C@H]2C)c(C)n1 ZINC000223126379 568538567 /nfs/dbraw/zinc/53/85/67/568538567.db2.gz NCRRCVMYKLRWCO-CQSZACIVSA-N 0 0 414.531 2.859 40 0 HFABRN C[C@@H](NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C)c1ccc2c(c1)CCC2 ZINC000223201872 568540896 /nfs/dbraw/zinc/54/08/96/568540896.db2.gz WDRINLUAYKKKSC-OAHLLOKOSA-N 0 0 419.522 2.805 40 0 HFABRN CSc1ccc(S(=O)(=O)NCc2ccccc2C)cc1C(=O)N1CCOCC1 ZINC000026117252 568541561 /nfs/dbraw/zinc/54/15/61/568541561.db2.gz VUZMTDIDBPAUTP-UHFFFAOYSA-N 0 0 420.556 2.668 40 0 HFABRN COc1ccccc1N(CCCC(=O)NCCCOC1CCCC1)S(C)(=O)=O ZINC000223341604 568545846 /nfs/dbraw/zinc/54/58/46/568545846.db2.gz ANCOTEPBFPWBIW-UHFFFAOYSA-N 0 0 412.552 2.707 40 0 HFABRN CC[C@@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)CCc1ccc2c(c1)OCO2 ZINC000223455944 568549396 /nfs/dbraw/zinc/54/93/96/568549396.db2.gz HBMABIHKVCCEMD-IBGZPJMESA-N 0 0 412.486 2.910 40 0 HFABRN COc1ccc(Cl)cc1S(=O)(=O)NCc1ccccc1CN1CCOCC1 ZINC000223561953 568551862 /nfs/dbraw/zinc/55/18/62/568551862.db2.gz ZTCWEHQBUSRSDS-UHFFFAOYSA-N 0 0 410.923 2.659 40 0 HFABRN CC(=O)Nc1ccc(S(=O)(=O)N(C)Cc2nc(-c3ccccc3C)no2)cc1 ZINC000223585805 568552445 /nfs/dbraw/zinc/55/24/45/568552445.db2.gz MDAMRRCPOFRJHU-UHFFFAOYSA-N 0 0 400.460 2.824 40 0 HFABRN COC(=O)c1cccc(S(=O)(=O)NCc2nc(-c3cccc(Cl)c3)no2)c1 ZINC000223613488 568553323 /nfs/dbraw/zinc/55/33/23/568553323.db2.gz ZTIPWFSXQDARCW-UHFFFAOYSA-N 0 0 407.835 2.655 40 0 HFABRN COC(=O)c1ccc(C)c(S(=O)(=O)NCc2nc(-c3ccccc3C)no2)c1 ZINC000223616043 568553332 /nfs/dbraw/zinc/55/33/32/568553332.db2.gz NQSMGKUPVYEXMR-UHFFFAOYSA-N 0 0 401.444 2.619 40 0 HFABRN COC(=O)c1ccc(C)c(S(=O)(=O)NCc2nc(-c3cccc(Cl)c3)no2)c1 ZINC000223616296 568553460 /nfs/dbraw/zinc/55/34/60/568553460.db2.gz CMQSBOATQKLAJV-UHFFFAOYSA-N 0 0 421.862 2.964 40 0 HFABRN CCOc1ccc(-c2noc(CNS(=O)(=O)c3cc(OC)ccc3OC)n2)cc1 ZINC000223621241 568553604 /nfs/dbraw/zinc/55/36/04/568553604.db2.gz HFKCRDWYBORJML-UHFFFAOYSA-N 0 0 419.459 2.631 40 0 HFABRN Cc1cc(C)cc(N(CC(=O)NCCOc2ccc(Cl)cc2)S(C)(=O)=O)c1 ZINC000223625456 568553744 /nfs/dbraw/zinc/55/37/44/568553744.db2.gz RBCXQNFOBHEUEZ-UHFFFAOYSA-N 0 0 410.923 2.918 40 0 HFABRN COc1ccc(-c2noc(CN(C)S(=O)(=O)Cc3ccccc3)n2)cc1OC ZINC000223624742 568553748 /nfs/dbraw/zinc/55/37/48/568553748.db2.gz HAZCJTGAHLMYQV-UHFFFAOYSA-N 0 0 403.460 2.716 40 0 HFABRN Cc1cc(C)cc(N(CC(=O)NCCOc2ccc(C)c(C)c2)S(C)(=O)=O)c1 ZINC000223626810 568553870 /nfs/dbraw/zinc/55/38/70/568553870.db2.gz KDJYOLYZXVPBIY-UHFFFAOYSA-N 0 0 404.532 2.881 40 0 HFABRN CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1Cc1cccnc1 ZINC000223646135 568554635 /nfs/dbraw/zinc/55/46/35/568554635.db2.gz VIIWHNURRRWUPE-RTWAWAEBSA-N 0 0 421.526 2.862 40 0 HFABRN CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1Cc1cccnc1 ZINC000223646172 568554668 /nfs/dbraw/zinc/55/46/68/568554668.db2.gz VIIWHNURRRWUPE-LEWJYISDSA-N 0 0 421.526 2.862 40 0 HFABRN COC(=O)c1ccc(CS(=O)(=O)NCc2nc(-c3ccccc3Cl)no2)cc1 ZINC000223657457 568555274 /nfs/dbraw/zinc/55/52/74/568555274.db2.gz JTGFLLMKVMEOKJ-UHFFFAOYSA-N 0 0 421.862 2.796 40 0 HFABRN COCc1cccc(NC(=O)CN(c2cc(Cl)ccc2OC)S(C)(=O)=O)c1 ZINC000223672157 568555700 /nfs/dbraw/zinc/55/57/00/568555700.db2.gz YKIMIENCFPBXJA-UHFFFAOYSA-N 0 0 412.895 2.900 40 0 HFABRN COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1cccnc1 ZINC000223677882 568555922 /nfs/dbraw/zinc/55/59/22/568555922.db2.gz AUQMZWZXVUSLID-VQTJNVASSA-N 0 0 407.499 2.803 40 0 HFABRN COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1Cc1cccnc1 ZINC000223682918 568556041 /nfs/dbraw/zinc/55/60/41/568556041.db2.gz QAPRMQUQKRGFSN-RTWAWAEBSA-N 0 0 421.526 2.862 40 0 HFABRN COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1Cc1cccnc1 ZINC000223682869 568556090 /nfs/dbraw/zinc/55/60/90/568556090.db2.gz QAPRMQUQKRGFSN-SFTDATJTSA-N 0 0 421.526 2.862 40 0 HFABRN COCc1cccc(NC(=O)CN(c2ccc(OC)c(Cl)c2)S(C)(=O)=O)c1 ZINC000223686771 568556286 /nfs/dbraw/zinc/55/62/86/568556286.db2.gz JACUJTYCTSEDGD-UHFFFAOYSA-N 0 0 412.895 2.900 40 0 HFABRN Cc1cccc(N(CC(=O)NCCOc2ccc(Cl)cc2)S(C)(=O)=O)c1C ZINC000223701134 568556602 /nfs/dbraw/zinc/55/66/02/568556602.db2.gz WLALIMYDIHIZCW-UHFFFAOYSA-N 0 0 410.923 2.918 40 0 HFABRN CS(=O)(=O)N(CC(=O)NCCOCc1ccccc1)c1cccc2ccccc21 ZINC000223699553 568556651 /nfs/dbraw/zinc/55/66/51/568556651.db2.gz LHTSJSGBKBNFHJ-UHFFFAOYSA-N 0 0 412.511 2.939 40 0 HFABRN COc1ccc(N(CC(=O)NCCOc2ccccc2C(C)C)S(C)(=O)=O)cc1 ZINC000223756744 568558240 /nfs/dbraw/zinc/55/82/40/568558240.db2.gz MDOHANGBRIOSJH-UHFFFAOYSA-N 0 0 420.531 2.780 40 0 HFABRN CN(Cc1nc(-c2ccccc2Cl)no1)S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000223765374 568558530 /nfs/dbraw/zinc/55/85/30/568558530.db2.gz YIQHQLYNDQUTLB-UHFFFAOYSA-N 0 0 421.862 2.982 40 0 HFABRN COc1ccc(-c2noc(CNS(=O)(=O)c3ccc(OC)c(Cl)c3)n2)cc1 ZINC000223767856 568558555 /nfs/dbraw/zinc/55/85/55/568558555.db2.gz DAVWPIOVYKZNTB-UHFFFAOYSA-N 0 0 409.851 2.886 40 0 HFABRN COc1cccc(-c2noc(CN(C)S(=O)(=O)c3ccc(NC(C)=O)cc3)n2)c1 ZINC000223766835 568558574 /nfs/dbraw/zinc/55/85/74/568558574.db2.gz XLNKKLAZFVXOAZ-UHFFFAOYSA-N 0 0 416.459 2.524 40 0 HFABRN COc1ccc(S(=O)(=O)N(C)Cc2ccccc2F)cc1C(=O)N1CCCC1 ZINC000223870824 568561404 /nfs/dbraw/zinc/56/14/04/568561404.db2.gz KWQLJAVZMWGRBV-UHFFFAOYSA-N 0 0 406.479 2.891 40 0 HFABRN CC(=O)c1cccc(N(CC(=O)NCCOc2ccc(Cl)cc2)S(C)(=O)=O)c1 ZINC000223877025 568561665 /nfs/dbraw/zinc/56/16/65/568561665.db2.gz FOFWBGUAGNBHRA-UHFFFAOYSA-N 0 0 424.906 2.504 40 0 HFABRN CS(=O)(=O)N(CCCC(=O)NC1CCCCCC1)c1ccc2c(c1)OCCO2 ZINC000223879957 568561722 /nfs/dbraw/zinc/56/17/22/568561722.db2.gz FGXZQWAEHHVQRJ-UHFFFAOYSA-N 0 0 410.536 2.843 40 0 HFABRN COc1ccc(OCCNC(=O)[C@@H](C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 ZINC000223891793 568562202 /nfs/dbraw/zinc/56/22/02/568562202.db2.gz AKCAWMBUNTYGCR-QGZVFWFLSA-N 0 0 420.531 2.662 40 0 HFABRN Cc1cc(C)cc(N([C@@H](C)C(=O)NCCOc2ccccc2C)S(C)(=O)=O)c1 ZINC000223893916 568562236 /nfs/dbraw/zinc/56/22/36/568562236.db2.gz WINPEQOIKGERJF-SFHVURJKSA-N 0 0 404.532 2.962 40 0 HFABRN COc1cccc(OCCNC(=O)[C@@H](C)N(c2cc(C)cc(C)c2)S(C)(=O)=O)c1 ZINC000223894408 568562284 /nfs/dbraw/zinc/56/22/84/568562284.db2.gz CVDINJBKVIKHLR-QGZVFWFLSA-N 0 0 420.531 2.662 40 0 HFABRN C[C@H](C(=O)NCCOCc1ccccc1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000223897448 568562391 /nfs/dbraw/zinc/56/23/91/568562391.db2.gz RBDBWHDNNAVUOR-OAHLLOKOSA-N 0 0 410.923 2.828 40 0 HFABRN Cc1cccc(OCCNC(=O)[C@@H](C)N(c2ccccc2F)S(C)(=O)=O)c1C ZINC000223954043 568564367 /nfs/dbraw/zinc/56/43/67/568564367.db2.gz QHNIJACXAGACQH-MRXNPFEDSA-N 0 0 408.495 2.792 40 0 HFABRN CCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)COc1ccccc1OC ZINC000223965891 568564745 /nfs/dbraw/zinc/56/47/45/568564745.db2.gz AJVANSKNYVZBHQ-INIZCTEOSA-N 0 0 400.475 2.636 40 0 HFABRN COc1ccc(OCCNS(=O)(=O)c2ccc(OC)c(Br)c2)cc1 ZINC000223978372 568565155 /nfs/dbraw/zinc/56/51/55/568565155.db2.gz PSKNZVIOHUKCLS-UHFFFAOYSA-N 0 0 416.293 2.824 40 0 HFABRN COc1ccc(S(=O)(=O)Nc2ccc(C(=O)NC[C@@H]3CCCO3)cc2C)cc1 ZINC000224011566 568566300 /nfs/dbraw/zinc/56/63/00/568566300.db2.gz TUVAFLZBFOTUCL-KRWDZBQOSA-N 0 0 404.488 2.713 40 0 HFABRN CCC(=O)N1CCc2cc(S(=O)(=O)NCCOc3cc(C)ccc3C)ccc21 ZINC000224048496 568567680 /nfs/dbraw/zinc/56/76/80/568567680.db2.gz RGEFZGFTPWRHGI-UHFFFAOYSA-N 0 0 402.516 2.960 40 0 HFABRN CCc1ccc([C@@H](C)NC(=O)CN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1 ZINC000224185072 568572887 /nfs/dbraw/zinc/57/28/87/568572887.db2.gz WIPQQOUTMANEOB-OAHLLOKOSA-N 0 0 418.515 2.664 40 0 HFABRN Cc1ccc(OCCCC(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)cc1 ZINC000224229661 568574520 /nfs/dbraw/zinc/57/45/20/568574520.db2.gz JHSRRWWQZSGULR-UHFFFAOYSA-N 0 0 420.531 2.600 40 0 HFABRN CC[C@@H](Oc1ccccc1C)C(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000224243656 568575098 /nfs/dbraw/zinc/57/50/98/568575098.db2.gz ZAOTXTNHQIBJIB-LJQANCHMSA-N 0 0 420.531 2.598 40 0 HFABRN CCc1ccc([C@H](C)NC(=O)CN(C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000224244102 568575153 /nfs/dbraw/zinc/57/51/53/568575153.db2.gz IBNWKFXOETUOHG-HNNXBMFYSA-N 0 0 420.531 2.764 40 0 HFABRN COc1ccccc1[C@@H](C)NC(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O ZINC000224254571 568575474 /nfs/dbraw/zinc/57/54/74/568575474.db2.gz DZPDZNOAEXXSLM-OAHLLOKOSA-N 0 0 406.504 2.656 40 0 HFABRN Cc1ccc(C(=O)N2CCOCC2)cc1N(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000224314462 568577618 /nfs/dbraw/zinc/57/76/18/568577618.db2.gz CMAHAGZFFIBREB-UHFFFAOYSA-N 0 0 408.907 2.946 40 0 HFABRN CCC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](C)COc3ccccc3OC)ccc21 ZINC000224349982 568578786 /nfs/dbraw/zinc/57/87/86/568578786.db2.gz YPHDEOYUCRCMMX-HNNXBMFYSA-N 0 0 418.515 2.740 40 0 HFABRN COc1ccccc1C(=O)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000224358209 568579065 /nfs/dbraw/zinc/57/90/65/568579065.db2.gz MOHMFMHYHZUJPS-UHFFFAOYSA-N 0 0 418.515 2.679 40 0 HFABRN O=C(NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccccc1F ZINC000224357134 568579095 /nfs/dbraw/zinc/57/90/95/568579095.db2.gz HOMFOBQPGSZILO-UHFFFAOYSA-N 0 0 406.479 2.809 40 0 HFABRN CCc1ccc(CC)c(CNC(=O)CN(c2ccc(F)cc2)S(=O)(=O)N(C)C)c1 ZINC000224391999 568580056 /nfs/dbraw/zinc/58/00/56/568580056.db2.gz UPMCMPAFVUVULZ-UHFFFAOYSA-N 0 0 421.538 2.880 40 0 HFABRN COC(=O)c1cc(S(=O)(=O)NCCCc2ccc(OC)c(OC)c2)ccc1C ZINC000224419231 568580804 /nfs/dbraw/zinc/58/08/04/568580804.db2.gz XEVBKTHEJXXSHE-UHFFFAOYSA-N 0 0 407.488 2.710 40 0 HFABRN COc1ccc(N([C@@H](C)C(=O)NC(C)(C)Cc2ccccc2)S(C)(=O)=O)cc1 ZINC000224556103 568585056 /nfs/dbraw/zinc/58/50/56/568585056.db2.gz FEZXUPIUCNOFFA-INIZCTEOSA-N 0 0 404.532 2.987 40 0 HFABRN COC(=O)c1cc(S(=O)(=O)NCC2(c3ccccc3)CCOCC2)ccc1C ZINC000224621239 568588620 /nfs/dbraw/zinc/58/86/20/568588620.db2.gz KPJPSYROOUPNFO-UHFFFAOYSA-N 0 0 403.500 2.808 40 0 HFABRN COc1ccc(CNC(=O)CCCN(c2ccccc2C)S(C)(=O)=O)cc1OC ZINC000224642237 568590133 /nfs/dbraw/zinc/59/01/33/568590133.db2.gz WXDCGYSGNYBJQH-UHFFFAOYSA-N 0 0 420.531 2.875 40 0 HFABRN COc1ccc(N(CCCC(=O)NCC2CCCCC2)S(C)(=O)=O)c(OC)c1 ZINC000224711752 568593402 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415.921 2.558 40 0 HFABRN Cc1nonc1NC(=O)CN1CCO[C@H](c2nccnc2-c2cccc(Cl)c2)C1 ZINC000019693067 569346376 /nfs/dbraw/zinc/34/63/76/569346376.db2.gz GUJMSILLYJALEZ-HNNXBMFYSA-N 0 0 414.853 2.500 40 0 HFABRN CN(C)c1ncccc1CN1CCO[C@H](c2ccc(-c3ccc(C(N)=O)cc3)cn2)C1 ZINC000019693509 569346426 /nfs/dbraw/zinc/34/64/26/569346426.db2.gz TVTNVYQSMKSNQC-QFIPXVFZSA-N 0 0 417.513 2.882 40 0 HFABRN COc1cccc(N(C)CCC(=O)N2CC[C@@H](c3ncncc3-c3noc(C)n3)C2)c1 ZINC000019693708 569346546 /nfs/dbraw/zinc/34/65/46/569346546.db2.gz QNCFTSDNAFENCX-MRXNPFEDSA-N 0 0 422.489 2.686 40 0 HFABRN CC(C)NC(=O)c1cccnc1[C@H]1CCCN(C(=O)c2cc(-c3cnn(C)c3)on2)C1 ZINC000019709396 569348041 /nfs/dbraw/zinc/34/80/41/569348041.db2.gz QTFWIAWVMXXVJV-HNNXBMFYSA-N 0 0 422.489 2.628 40 0 HFABRN CC(=O)N[C@H]1C[C@@H](CCNC(=O)Cc2ccccn2)O[C@@H](c2cc(F)cc(F)c2)C1 ZINC000019712422 569348321 /nfs/dbraw/zinc/34/83/21/569348321.db2.gz PWDSRDZVRZNSHK-PWRODBHTSA-N 0 0 417.456 2.834 40 0 HFABRN 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569350166 /nfs/dbraw/zinc/35/01/66/569350166.db2.gz DPGXMGMMDOMPGF-GOSISDBHSA-N 0 0 416.499 2.939 40 0 HFABRN COc1ccc(S(=O)(=O)N2C(=O)CC[C@H]2C(=O)Nc2ccc(C)cc2C)cc1C ZINC000028209833 569350192 /nfs/dbraw/zinc/35/01/92/569350192.db2.gz ZUXWPOITUGSWOV-SFHVURJKSA-N 0 0 416.499 2.939 40 0 HFABRN CCOc1ccc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc1OC ZINC000034721408 569351497 /nfs/dbraw/zinc/35/14/97/569351497.db2.gz LTZOCQZRDTVJLY-ZROIWOOFSA-N 0 0 400.387 2.566 40 0 HFABRN CC(=O)Nc1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)c1 ZINC000052411971 569352248 /nfs/dbraw/zinc/35/22/48/569352248.db2.gz TZTRRFSIDWEGHL-KRWDZBQOSA-N 0 0 415.515 2.993 40 0 HFABRN Cn1c(CCNC(=O)c2ccccc2F)nnc1SCC(=O)Nc1ccccc1 ZINC000107691632 569352838 /nfs/dbraw/zinc/35/28/38/569352838.db2.gz VSWCLYBUXJQMDQ-UHFFFAOYSA-N 0 0 413.478 2.658 40 0 HFABRN CCCOC(=O)c1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccccc3)CC2=O)cc1 ZINC000138722335 569354213 /nfs/dbraw/zinc/35/42/13/569354213.db2.gz FWMIAIGRCFDZIE-KRWDZBQOSA-N 0 0 424.453 2.788 40 0 HFABRN COC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)cc1 ZINC000138795400 569354268 /nfs/dbraw/zinc/35/42/68/569354268.db2.gz JAXKMMNKBLOIAY-QGZVFWFLSA-N 0 0 424.453 2.625 40 0 HFABRN O=C(CN1C(=O)S/C(=C/c2cccc(C(F)(F)F)c2)C1=O)N1CCOCC1 ZINC000214284953 569356350 /nfs/dbraw/zinc/35/63/50/569356350.db2.gz YBQBFGGJYXAENN-UKTHLTGXSA-N 0 0 400.378 2.601 40 0 HFABRN Cc1nn(C)c(C)c1/C=C/C(=O)N1CCC[C@@H](c2ccnc(Nc3cnccn3)c2)C1 ZINC000585292735 571310221 /nfs/dbraw/zinc/31/02/21/571310221.db2.gz RZZMSQFLOZZPRL-OVKVCFKUSA-N 0 0 417.517 3.385 40 0 HFABRN Cn1c(-c2ccccc2)cnc1NC(=O)c1ccc(OCCN2CCCC2=O)cc1 ZINC000036752604 571310638 /nfs/dbraw/zinc/31/06/38/571310638.db2.gz WOWLKQUQLKKBIW-UHFFFAOYSA-N 0 0 404.470 3.341 40 0 HFABRN C/C=C/C=C/C=C/C(=O)O[C@@H]1C=C2[C@H](O)OC(=O)[C@]2(O)[C@@]2(C)CCCC(C)(C)[C@H]12 ZINC000031159871 291214162 /nfs/dbraw/zinc/21/41/62/291214162.db2.gz SZNYTCZAXYAIIP-HVXSUSQFSA-N 0 0 402.487 2.966 40 0 biogenic,in-vitro HFABRN CC(C)(C)CC(=O)N1C[C@H]2C[C@@H](C1)Cn1c2ccc(NC(=O)c2ccncc2)c1=O ZINC000004236163 291216675 /nfs/dbraw/zinc/21/66/75/291216675.db2.gz MYVYPPGRCZWMLA-DOTOQJQBSA-N 0 0 408.502 2.878 40 0 biogenic,in-vitro HFABRN CCC(CC)C(=O)N[C@H]1CCN2C(=O)c3cc(Br)ccc3NC(=O)[C@@H]2C1 ZINC000003841290 291218326 /nfs/dbraw/zinc/21/83/26/291218326.db2.gz CXAZSIVEFJHBMD-BBRMVZONSA-N 0 0 422.323 2.927 40 0 biogenic,in-vitro HFABRN CN1CCN(c2ccc(-c3noc([C@@H]4CCCN4Cc4cccnc4)n3)cn2)CC1 ZINC000049155136 291220665 /nfs/dbraw/zinc/22/06/65/291220665.db2.gz NMQGXMFOMXJDCS-IBGZPJMESA-N 0 0 405.506 2.616 40 0 biogenic,in-vitro HFABRN O=C(Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(C(=O)c2ccccn2)C1)c1ccccc1 ZINC000004277680 291228854 /nfs/dbraw/zinc/22/88/54/291228854.db2.gz XOCQGINCIALPBW-FUHWJXTLSA-N 0 0 414.465 2.755 40 0 biogenic,in-vitro HFABRN O=S(=O)(Cc1noc([C@@H]2C[C@@H](O)CN2CC2CCCCC2)n1)c1ccc(F)cc1 ZINC000015673965 291229840 /nfs/dbraw/zinc/22/98/40/291229840.db2.gz VZQZFPIUWGWTOV-AEFFLSMTSA-N 0 0 423.510 2.871 40 0 biogenic,in-vitro HFABRN Clc1cccc(Cl)c1Nc1nc(N2CCOCC2)nc(N2CCOCC2)n1 ZINC000005255827 132304489 /nfs/dbraw/zinc/30/44/89/132304489.db2.gz OKJXCUKMCSOZPA-UHFFFAOYSA-N 0 0 411.293 2.595 40 0 HFABRN CC(C)Oc1ccc(CNC(=O)CN(c2ccc(F)c(F)c2)S(C)(=O)=O)cc1 ZINC000044946083 519779255 /nfs/dbraw/zinc/77/92/55/519779255.db2.gz DCIAHNKAZAHZAB-UHFFFAOYSA-N 0 0 412.458 2.834 40 0 HFABRN CC(C)Oc1ccccc1NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000032288035 519784803 /nfs/dbraw/zinc/78/48/03/519784803.db2.gz RVUXHYDVCKSKES-UHFFFAOYSA-N 0 0 404.488 2.747 40 0 HFABRN CCCNC(=O)Cn1c2sc(N3CCCC3)nc2c(-c2cccs2)nc1=O ZINC000032615277 519882145 /nfs/dbraw/zinc/88/21/45/519882145.db2.gz XECLVIBMAQZYSG-UHFFFAOYSA-N 0 0 403.533 2.708 40 0 HFABRN CCCSc1nnc(NC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)s1 ZINC000224974826 520572144 /nfs/dbraw/zinc/57/21/44/520572144.db2.gz MMZQHRQPUYQNEO-UHFFFAOYSA-N 0 0 404.514 2.584 40 0 HFABRN CCOc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(Nc4ccccc4)[nH]c(=O)c32)cc1 ZINC000040399180 521110398 /nfs/dbraw/zinc/11/03/98/521110398.db2.gz XODQBCPHWFQAFL-INIZCTEOSA-N 0 0 419.441 2.977 40 0 HFABRN CCOc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](C)c2ccc(OC)cc2)cc1C ZINC000020015136 521185051 /nfs/dbraw/zinc/18/50/51/521185051.db2.gz FHYYXEUFQAZNHV-INIZCTEOSA-N 0 0 420.531 2.900 40 0 HFABRN CCOc1cccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)c1 ZINC000020044369 521356699 /nfs/dbraw/zinc/35/66/99/521356699.db2.gz WVFSZNBAPQRBPB-INIZCTEOSA-N 0 0 408.545 2.864 40 0 HFABRN CCN(c1ccc(OCC(=O)N[C@@H](C)COC)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000019938058 521492716 /nfs/dbraw/zinc/49/27/16/521492716.db2.gz IDDLKSVITUJBEC-KRWDZBQOSA-N 0 0 420.531 2.740 40 0 HFABRN CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)c(N3CCCC3=O)c2)cc1 ZINC000044885383 521520498 /nfs/dbraw/zinc/52/04/98/521520498.db2.gz KQKFHPKTZBWOGY-UHFFFAOYSA-N 0 0 418.471 2.800 40 0 HFABRN CCN1CCN(C(=O)[C@H]2CCC(=O)N2)[C@H](Cc2ccccc2-c2cccc(C)c2)C1=O ZINC000072351623 521668988 /nfs/dbraw/zinc/66/89/88/521668988.db2.gz NWLLLBTZVKIWJN-FGZHOGPDSA-N 0 0 419.525 2.542 40 0 HFABRN Cc1ccc(C)c(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCCC[C@@H]4C)[nH]c(=O)c32)c1 ZINC000040390377 524153087 /nfs/dbraw/zinc/15/30/87/524153087.db2.gz KJFURFLTHJBMKO-LSDHHAIUSA-N 0 0 409.490 2.830 40 0 HFABRN Cc1cccc(CSCCNC(=O)c2ccc(N(C)S(=O)(=O)N(C)C)cc2)c1 ZINC000020245681 524461352 /nfs/dbraw/zinc/46/13/52/524461352.db2.gz HXEUJELXTGRVHL-UHFFFAOYSA-N 0 0 421.588 2.901 40 0 HFABRN COc1ccc(NC(=O)C[C@H](NS(C)(=O)=O)c2ccc(Cl)cc2)c(OC)c1 ZINC000225951531 524522080 /nfs/dbraw/zinc/52/20/80/524522080.db2.gz SQARNVXQRAQIJN-INIZCTEOSA-N 0 0 412.895 2.976 40 0 HFABRN COc1ccccc1Nc1nc2c(c(=O)[nH]1)[C@@H](C(=O)Nc1ccc(C)cc1)CC(=O)N2 ZINC000040399992 524650452 /nfs/dbraw/zinc/65/04/52/524650452.db2.gz LMVWFBMFMFKYGE-AWEZNQCLSA-N 0 0 419.441 2.895 40 0 HFABRN COc1ccc(Nc2nc3c(c(=O)[nH]2)[C@H](C(=O)Nc2cccc(C)c2)CC(=O)N3)cc1 ZINC000040399803 524720576 /nfs/dbraw/zinc/72/05/76/524720576.db2.gz DRLUBEITYLYEEW-MRXNPFEDSA-N 0 0 419.441 2.895 40 0 HFABRN C[C@@H](COc1ccccc1)NC(=O)CN(Cc1ccccc1Cl)S(C)(=O)=O ZINC000225840450 524825844 /nfs/dbraw/zinc/82/58/44/524825844.db2.gz VCXDRXVUVXVRSZ-HNNXBMFYSA-N 0 0 410.923 2.685 40 0 HFABRN COc1ccc(OC)c([C@H](C)NS(=O)(=O)c2ccc3c(c2)sc(=O)n3C)c1 ZINC000225685555 524905381 /nfs/dbraw/zinc/90/53/81/524905381.db2.gz ZAFSFPDOITXMKQ-NSHDSACASA-N 0 0 408.501 2.657 40 0 HFABRN COc1ccc(S(=O)(=O)NCCSc2ccccc2)cc1N1CCCC1=O ZINC000020481241 525060646 /nfs/dbraw/zinc/06/06/46/525060646.db2.gz HXBLWNMGQQIFRW-UHFFFAOYSA-N 0 0 406.529 2.893 40 0 HFABRN C[C@H](C(=O)NC1CCC(C)CC1)N1CC[C@@]2(CCC1=O)NC(=O)c1ccccc1O2 ZINC000072326703 526027912 /nfs/dbraw/zinc/02/79/12/526027912.db2.gz IDEMVTLAZLKSLH-QDUGOLQRSA-N 0 0 413.518 2.601 40 0 HFABRN Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)NCc1cccc(OC(C)C)c1)O2 ZINC000044882698 526169820 /nfs/dbraw/zinc/16/98/20/526169820.db2.gz QFRPFVVUBKBONC-HXUWFJFHSA-N 0 0 418.515 2.626 40 0 HFABRN Fc1ccc(N2CCN([C@@H](c3nnnn3C[C@H]3CCCO3)c3ccccc3)CC2)cc1 ZINC000020140621 526352156 /nfs/dbraw/zinc/35/21/56/526352156.db2.gz VMCZAPSJSXIEDZ-FGZHOGPDSA-N 0 0 422.508 2.903 40 0 HFABRN S=C(NCc1ccco1)Nc1nc(N2CCOCC2)cc(N2CCCCCC2)n1 ZINC000225912020 526385573 /nfs/dbraw/zinc/38/55/73/526385573.db2.gz WFADFECHDPWEJN-UHFFFAOYSA-N 0 0 416.551 2.773 40 0 HFABRN S=C(Nc1nc(N2CCCC2)cc(N2CCN(c3ccccc3)CC2)n1)NC1CC1 ZINC000226002938 526387281 /nfs/dbraw/zinc/38/72/81/526387281.db2.gz YAULINBVHFLIKK-UHFFFAOYSA-N 0 0 423.590 2.852 40 0 HFABRN c1ccc(Nc2nc(N3CCOCC3)nc(N3CCN(c4ccccc4)CC3)n2)cc1 ZINC000032603957 526483450 /nfs/dbraw/zinc/48/34/50/526483450.db2.gz HWEHLIURXFLVAK-UHFFFAOYSA-N 0 0 417.517 2.778 40 0 HFABRN O=C(CN1CCOCC1)N1CCC(c2cncc(-c3cccc(Cl)c3)n2)CC1 ZINC000072359666 526789218 /nfs/dbraw/zinc/78/92/18/526789218.db2.gz MIHUWJNYFAFOSG-UHFFFAOYSA-N 0 0 400.910 2.835 40 0 HFABRN O=C(C[C@H]1SC(=O)N(c2ccccc2)C1=O)N1CCN(Cc2ccccc2)CC1 ZINC000036635263 527185733 /nfs/dbraw/zinc/18/57/33/527185733.db2.gz AQDFBWGMOVMJLY-LJQANCHMSA-N 0 0 409.511 2.990 40 0 HFABRN O=C(Nc1ccc([C@H]2OCC(=O)N(C3CCOCC3)[C@@H]2CO)cc1)C1CCCCC1 ZINC000072321526 527259274 /nfs/dbraw/zinc/25/92/74/527259274.db2.gz ZCNWRNVRZYAFDA-IFMALSPDSA-N 0 0 416.518 2.645 40 0 biogenic,in-vitro HFABRN COC(=O)CN1C(=O)S/C(=C/c2cc(Br)c(OC)c(OC)c2)C1=O ZINC000001146504 557208131 /nfs/dbraw/zinc/20/81/31/557208131.db2.gz VEWFQWYDBCUCBZ-IZZDOVSWSA-N 0 0 416.249 2.676 40 0 HFABRN Cc1ccc(CN(Cc2cccnc2)S(=O)(=O)c2ccc(-n3cnnn3)cc2)cc1 ZINC000001357071 557256918 /nfs/dbraw/zinc/25/69/18/557256918.db2.gz GUNAGYCYTCQRLH-UHFFFAOYSA-N 0 0 420.498 2.757 40 0 HFABRN Nc1c(OS(=O)(=O)c2ccccc2)cccc1OS(=O)(=O)c1ccccc1 ZINC000001568757 557272914 /nfs/dbraw/zinc/27/29/14/557272914.db2.gz LQTOXLMJIIGBGG-UHFFFAOYSA-N 0 0 405.453 2.804 40 0 HFABRN CCN1CCN(C(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)cc3)c2)CC1 ZINC000408549399 557396307 /nfs/dbraw/zinc/39/63/07/557396307.db2.gz YWPXNPOJDAAMTN-UHFFFAOYSA-N 0 0 401.532 2.882 40 0 HFABRN CCOc1ccc(NC(=O)C(=O)NCC(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000408551477 557423191 /nfs/dbraw/zinc/42/31/91/557423191.db2.gz IAFJUHMRQXKMQB-UHFFFAOYSA-N 0 0 409.364 2.798 40 0 HFABRN O=C(NC[C@@H]1CCCO1)[C@@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1 ZINC000408557050 557453762 /nfs/dbraw/zinc/45/37/62/557453762.db2.gz KPIZRKKXKRAJOD-MOPGFXCFSA-N 0 0 402.516 2.536 40 0 HFABRN COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cc(C)ccc2OC)cc1Cl ZINC000408557244 557453952 /nfs/dbraw/zinc/45/39/52/557453952.db2.gz FWMGSYVLAITPGU-LBPRGKRZSA-N 0 0 412.895 2.971 40 0 HFABRN CCOC(=O)Nc1ccc(S(=O)(=O)NCCc2ccc(OC)c(OC)c2)cc1 ZINC000408558546 557455964 /nfs/dbraw/zinc/45/59/64/557455964.db2.gz RWEPEJYLOBZYAG-UHFFFAOYSA-N 0 0 408.476 2.793 40 0 HFABRN O=C(Cn1cc(C(=O)C(=O)N2CCCC2)c2ccccc21)NCCOc1ccccc1 ZINC000408575819 557479316 /nfs/dbraw/zinc/47/93/16/557479316.db2.gz WVMNPMFVYHHZJU-UHFFFAOYSA-N 0 0 419.481 2.642 40 0 HFABRN CC(C)NS(=O)(=O)c1ccc(OCC(=O)N[C@H](C)CCc2ccccc2)cc1 ZINC000408583307 557487912 /nfs/dbraw/zinc/48/79/12/557487912.db2.gz HGFNMIKXXXXIBT-QGZVFWFLSA-N 0 0 404.532 2.890 40 0 HFABRN COc1ccc(S(=O)(=O)N[C@H](C)C(=O)N[C@@H](C)CCc2ccccc2)cc1C ZINC000408585278 557488395 /nfs/dbraw/zinc/48/83/95/557488395.db2.gz YLLTXANBBKRPPE-DLBZAZTESA-N 0 0 404.532 2.808 40 0 HFABRN O=C(Nc1ccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)cc1)N1CCCCC1 ZINC000408587587 557491045 /nfs/dbraw/zinc/49/10/45/557491045.db2.gz FEHHVAGWYXUGPN-UHFFFAOYSA-N 0 0 417.487 2.912 40 0 HFABRN COc1ccc(CNS(=O)(=O)c2ccc(O[C@H](C)C(=O)NCC(C)C)cc2)cc1 ZINC000408602241 557522903 /nfs/dbraw/zinc/52/29/03/557522903.db2.gz IKOOZGMWAWNAJS-MRXNPFEDSA-N 0 0 420.531 2.713 40 0 HFABRN COC[C@@H](C)NC(=O)[C@@H](C)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O ZINC000408603049 557523439 /nfs/dbraw/zinc/52/34/39/557523439.db2.gz FBRCDWQIBWENPZ-HZPDHXFCSA-N 0 0 406.504 2.785 40 0 HFABRN Cc1ccc(S(=O)(=O)NCc2ccccc2Cl)cc1C(=O)N1CCOCC1 ZINC000408604274 557525576 /nfs/dbraw/zinc/52/55/76/557525576.db2.gz LQUFQCFYMVEFKK-UHFFFAOYSA-N 0 0 408.907 2.599 40 0 HFABRN COc1ccc(NC(=O)C[S@@](=O)CC(=O)Nc2cc(Cl)ccc2OC)cc1 ZINC000004190168 557527189 /nfs/dbraw/zinc/52/71/89/557527189.db2.gz VIKKWKMEMPDSPI-MHZLTWQESA-N 0 0 410.879 2.683 40 0 HFABRN COCCNC(=O)c1cc(S(=O)(=O)N[C@@H](C)CCc2ccccc2)ccc1C ZINC000408609584 557532743 /nfs/dbraw/zinc/53/27/43/557532743.db2.gz UFVIMQGGYBDTQC-KRWDZBQOSA-N 0 0 404.532 2.671 40 0 HFABRN COC[C@@H](C)NC(=O)CN(Cc1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000408618781 557535514 /nfs/dbraw/zinc/53/55/14/557535514.db2.gz GPFZSYJLMPTYMZ-GOSISDBHSA-N 0 0 404.532 2.645 40 0 HFABRN COC[C@H](C)NC(=O)CN(Cc1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000408618783 557535515 /nfs/dbraw/zinc/53/55/15/557535515.db2.gz GPFZSYJLMPTYMZ-SFHVURJKSA-N 0 0 404.532 2.645 40 0 HFABRN CS(=O)(=O)N(CC(=O)Nc1ccc(F)cc1)Cc1ccc(Br)cc1 ZINC000408622454 557548457 /nfs/dbraw/zinc/54/84/57/557548457.db2.gz OQTARBBFYWSRDQ-UHFFFAOYSA-N 0 0 415.284 2.989 40 0 HFABRN COC[C@H](C)NC(=O)CN(Cc1cccc(C)c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000408622448 557548521 /nfs/dbraw/zinc/54/85/21/557548521.db2.gz QGEOTPAOOHESBF-INIZCTEOSA-N 0 0 424.950 2.990 40 0 HFABRN CCNC(=O)c1cc(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)ccc1C ZINC000408623805 557551300 /nfs/dbraw/zinc/55/13/00/557551300.db2.gz PUXXQAXSTDAXFB-UHFFFAOYSA-N 0 0 415.559 2.872 40 0 HFABRN CCOC(=O)[C@]1(Cc2ccccc2)N[C@@H](c2ccccc2F)[C@@H]2C(=O)N(CC)C(=O)[C@H]21 ZINC000004409079 557552602 /nfs/dbraw/zinc/55/26/02/557552602.db2.gz ZJKRNAGZKRBGEB-KCOOYEKVSA-N 0 0 424.472 2.636 40 0 HFABRN COC[C@H](C)NC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000408626132 557558295 /nfs/dbraw/zinc/55/82/95/557558295.db2.gz ZFLOQFBZICYPKQ-AWEZNQCLSA-N 0 0 402.944 2.815 40 0 HFABRN COCCN(C(=O)c1csnn1)[C@@H](C(=O)NC1CCCC1)c1ccc(C)cc1 ZINC000004890295 557610454 /nfs/dbraw/zinc/61/04/54/557610454.db2.gz QIIPFKIYHCNZPG-GOSISDBHSA-N 0 0 402.520 2.735 40 0 HFABRN CCOc1ccc(C(=O)NC2CCN(CC(=O)NCc3cccs3)CC2)cc1 ZINC000004909841 557612342 /nfs/dbraw/zinc/61/23/42/557612342.db2.gz XZHXETFVXQQFOW-UHFFFAOYSA-N 0 0 401.532 2.657 40 0 HFABRN COc1ccccc1N1C[C@H](C(=O)OCC(=O)Nc2ccccc2Cl)CC1=O ZINC000005192268 557639390 /nfs/dbraw/zinc/63/93/90/557639390.db2.gz ZYKKVHIVBYKULX-CYBMUJFWSA-N 0 0 402.834 2.883 40 0 HFABRN Cc1cc(NC(=O)COC(=O)[C@@H]2[C@H]3C[C@H]4OC(=O)[C@@H]2[C@H]4C3)c(C)cc1Br ZINC000408659745 557641794 /nfs/dbraw/zinc/64/17/94/557641794.db2.gz PGFALMPSHKONFB-VNTRCMCTSA-N 0 0 422.275 2.745 40 0 HFABRN Cc1cc(NC(=O)COC(=O)[C@@H]2[C@H]3C[C@H]4OC(=O)[C@H]2[C@H]4C3)c(C)cc1Br ZINC000408659743 557641811 /nfs/dbraw/zinc/64/18/11/557641811.db2.gz PGFALMPSHKONFB-VDWHBMEOSA-N 0 0 422.275 2.745 40 0 HFABRN COC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3C)C2)cc1 ZINC000408660938 557642150 /nfs/dbraw/zinc/64/21/50/557642150.db2.gz NWGQYARJXPWKMY-QGZVFWFLSA-N 0 0 424.453 2.625 40 0 HFABRN CCC(=O)Nc1ccc(NC(=O)CSc2nnnn2-c2ccc(F)cc2)cc1 ZINC000035288693 557668617 /nfs/dbraw/zinc/66/86/17/557668617.db2.gz BPSYKRHSRHZUHP-UHFFFAOYSA-N 0 0 400.439 2.881 40 0 HFABRN COCCn1nnnc1[C@@H](c1ccccc1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000035289931 557673173 /nfs/dbraw/zinc/67/31/73/557673173.db2.gz NYAMHKCCLDNVKV-HXUWFJFHSA-N 0 0 412.925 2.885 40 0 HFABRN COCCn1nnnc1[C@H](c1ccccc1)N1CCN(c2cc(C)ccc2C)CC1 ZINC000035289862 557673246 /nfs/dbraw/zinc/67/32/46/557673246.db2.gz KOWYOKXESKXREC-QFIPXVFZSA-N 0 0 406.534 2.848 40 0 HFABRN O=C(NC(=S)NC[C@@H]1COc2ccccc2O1)c1ccccc1Br ZINC000005771664 557673784 /nfs/dbraw/zinc/67/37/84/557673784.db2.gz BRBVSWUXBLDYJG-LLVKDONJSA-N 0 0 407.289 2.893 40 0 HFABRN Cc1ccc(S(=O)(=O)N2CCN(C(=O)COc3ccc(C)cc3C)CC2)cc1 ZINC000005823871 557676448 /nfs/dbraw/zinc/67/64/48/557676448.db2.gz FASBFNUEUMCNMQ-UHFFFAOYSA-N 0 0 402.516 2.524 40 0 HFABRN CCOC(=O)c1ccccc1NC(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000408679037 557685865 /nfs/dbraw/zinc/68/58/65/557685865.db2.gz HTRQETUQFJRIHO-UHFFFAOYSA-N 0 0 412.414 2.546 40 0 HFABRN C[C@H]1CCCN(S(=O)(=O)c2ccc(S(=O)(=O)n3cnc4ccccc43)cc2)C1 ZINC000035310771 557686492 /nfs/dbraw/zinc/68/64/92/557686492.db2.gz ZSSHZVNWQSKTLJ-HNNXBMFYSA-N 0 0 419.528 2.694 40 0 HFABRN Cn1c(SCc2cccnc2)nnc1-c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000035315058 557690700 /nfs/dbraw/zinc/69/07/00/557690700.db2.gz DWEXMTZEFMQKIT-UHFFFAOYSA-N 0 0 415.544 2.954 40 0 HFABRN COc1cccc(N(CC(=O)NCCSCc2ccccc2)S(C)(=O)=O)c1 ZINC000006458110 557703517 /nfs/dbraw/zinc/70/35/17/557703517.db2.gz LBPQNTKRRWCWPU-UHFFFAOYSA-N 0 0 408.545 2.511 40 0 HFABRN CCOc1ccc(C(=O)NCCc2ccccc2)cc1S(=O)(=O)N1CCCC1 ZINC000408699332 557716561 /nfs/dbraw/zinc/71/65/61/557716561.db2.gz WJWWTDMNHZOEPN-UHFFFAOYSA-N 0 0 402.516 2.842 40 0 HFABRN Cc1cc(C)cc(OCC(=O)NC(=S)Nc2sc3c(c2C(N)=O)CCC3)c1 ZINC000006825696 557725558 /nfs/dbraw/zinc/72/55/58/557725558.db2.gz OGVPXZFQPSSNEJ-UHFFFAOYSA-N 0 0 403.529 2.845 40 0 HFABRN O=C(NCCCn1ccnc1)c1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl ZINC000408703561 557728705 /nfs/dbraw/zinc/72/87/05/557728705.db2.gz SVRFGHIXBCKGNI-UHFFFAOYSA-N 0 0 424.954 2.921 40 0 HFABRN COc1ccc(C)cc1NC(=O)[C@@H](C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000408702279 557729483 /nfs/dbraw/zinc/72/94/83/557729483.db2.gz APGXKMOIOYVFTI-CQSZACIVSA-N 0 0 420.487 2.568 40 0 HFABRN C[C@@H](C(=O)NC1CCCCCCC1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000408704561 557729900 /nfs/dbraw/zinc/72/99/00/557729900.db2.gz POVKHVWZXKLRSC-HNNXBMFYSA-N 0 0 410.536 2.841 40 0 HFABRN Cc1cccc(CNC(=O)c2ccccc2NC(=O)C(=O)NCc2ccncc2)c1 ZINC000408709489 557736677 /nfs/dbraw/zinc/73/66/77/557736677.db2.gz BMOQSYASECMIPO-UHFFFAOYSA-N 0 0 402.454 2.575 40 0 HFABRN Cc1ccc(OCCNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)cc1 ZINC000008301253 557780636 /nfs/dbraw/zinc/78/06/36/557780636.db2.gz GMQZQSIBJIMNOX-KRWDZBQOSA-N 0 0 420.506 2.730 40 0 HFABRN CC[C@H](Oc1ccccc1)C(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000008379478 557784514 /nfs/dbraw/zinc/78/45/14/557784514.db2.gz KLQORMHNDVFXAD-FQEVSTJZSA-N 0 0 402.516 2.686 40 0 HFABRN COc1ccc(S(=O)(=O)N(CC(=O)NCC(C)C)Cc2ccccc2)c(OC)c1 ZINC000408726923 557784576 /nfs/dbraw/zinc/78/45/76/557784576.db2.gz VWVSRRXSZKFFPJ-UHFFFAOYSA-N 0 0 420.531 2.667 40 0 HFABRN CC[C@@H](C)[C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1)C(=O)NCc1ccccc1OC ZINC000035806856 557825018 /nfs/dbraw/zinc/82/50/18/557825018.db2.gz NYRGXQKQJYLSSV-QGCDCVKKSA-N 0 0 409.530 2.557 40 0 HFABRN COc1cc(-c2nnc3s/c(=C\c4ccc(F)cc4)c(=O)n32)cc(OC)c1OC ZINC000009187939 557825738 /nfs/dbraw/zinc/82/57/38/557825738.db2.gz WYAJQCNMQOVNIQ-PXNMLYILSA-N 0 0 413.430 2.531 40 0 HFABRN COC(=O)C1=C(NCCc2ccccc2)C[C@](C)(O)[C@@H](C(=O)OC)[C@H]1c1ccccc1 ZINC000036556622 557841843 /nfs/dbraw/zinc/84/18/43/557841843.db2.gz DRCXGILGRFLRJR-HOKHCIIBSA-N 0 0 423.509 2.974 40 0 HFABRN COCC(=O)N1CCCC[C@@H]1c1nc2c(c(C)n1)CC(=O)N2Cc1ccc(OC)cc1 ZINC000019739680 558260737 /nfs/dbraw/zinc/26/07/37/558260737.db2.gz OKKXZQIREAMKIT-LJQANCHMSA-N 0 0 424.501 2.583 40 0 HFABRN Cc1nc2ccccn2c1CC(=O)N1CCCC[C@H]1c1nc2c(c(C)n1)CC(=O)N2C ZINC000019739640 558260790 /nfs/dbraw/zinc/26/07/90/558260790.db2.gz SXXBZQWPJGFHRY-KRWDZBQOSA-N 0 0 418.501 2.556 40 0 HFABRN COCC(=O)N1CCC[C@H]1c1nc(C)c2c(n1)N(CC1CCCCC1)C(=O)CC2 ZINC000019740388 558261098 /nfs/dbraw/zinc/26/10/98/558261098.db2.gz WVKHKBLQUMGYAF-SFHVURJKSA-N 0 0 400.523 2.954 40 0 HFABRN Cc1cc(NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)ccc1N1CCCC1=O ZINC000010956701 558261608 /nfs/dbraw/zinc/26/16/08/558261608.db2.gz ZMGPIYPXALTESC-UHFFFAOYSA-N 0 0 401.488 2.624 40 0 HFABRN COCCN1CCCC[C@H](C2CCN(C(=O)c3n[nH]c4c3CCCCC4)CC2)C1=O ZINC000019744095 558264742 /nfs/dbraw/zinc/26/47/42/558264742.db2.gz BBVAHCWRSYFMON-GOSISDBHSA-N 0 0 416.566 2.806 40 0 HFABRN Cc1cccn2cc(C(=O)Nc3cnn(CC(=O)NCCc4ccccc4F)c3)nc12 ZINC000019746147 558266098 /nfs/dbraw/zinc/26/60/98/558266098.db2.gz QDEZRAYHZARIFU-UHFFFAOYSA-N 0 0 420.448 2.590 40 0 HFABRN Cc1cnc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cnc(C)nc3C)CC2)cn1 ZINC000019747042 558266986 /nfs/dbraw/zinc/26/69/86/558266986.db2.gz UGXFGFOQKMOCKF-OAQYLSRUSA-N 0 0 422.533 2.739 40 0 HFABRN Cc1ccc2c(cc(C(=O)N3CCO[C@H](C(=O)N4CCc5ccccc5C4)C3)n2C)c1 ZINC000019747780 558267171 /nfs/dbraw/zinc/26/71/71/558267171.db2.gz VCZYGFGQVUVXCR-QHCPKHFHSA-N 0 0 417.509 2.913 40 0 HFABRN Cc1cnc(C(=O)N[C@@H]2CCCN(C(=O)C(C)(C)Oc3ccc(F)cc3)CC2)cn1 ZINC000019749735 558269502 /nfs/dbraw/zinc/26/95/02/558269502.db2.gz IGYQRFPCXNWCMB-QGZVFWFLSA-N 0 0 414.481 2.893 40 0 HFABRN Cc1ncc(C(=O)N2CCC[C@@H](N(C)S(=O)(=O)c3cccc(F)c3)CC2)c(C)n1 ZINC000019749866 558269711 /nfs/dbraw/zinc/26/97/11/558269711.db2.gz BCMDHMUGOJRDLK-QGZVFWFLSA-N 0 0 420.510 2.548 40 0 HFABRN Cc1nc([C@@H]2CCCN(S(C)(=O)=O)C2)nc2c1CCCN2Cc1ccccc1 ZINC000019752621 558271937 /nfs/dbraw/zinc/27/19/37/558271937.db2.gz HDXUBGCGFCULFK-GOSISDBHSA-N 0 0 400.548 2.877 40 0 HFABRN CC(C)NC(=O)c1cc([C@H]2CN(C(=O)c3ccncc3)CCO2)nc2ccccc21 ZINC000019759167 558275647 /nfs/dbraw/zinc/27/56/47/558275647.db2.gz CRCMSAOYVGTKSM-OAQYLSRUSA-N 0 0 404.470 2.982 40 0 HFABRN CC(C)CNC(=O)c1cc([C@H]2CN(Cc3ccnn3C)CCO2)nc2ccccc21 ZINC000019759069 558275656 /nfs/dbraw/zinc/27/56/56/558275656.db2.gz QLLHJRBHOQWRJH-JOCHJYFZSA-N 0 0 407.518 2.928 40 0 HFABRN Cc1cccc(CC(=O)N2CC[C@H](c3cc(C(=O)NCCO)c4ccccc4n3)C2)c1 ZINC000019760990 558276395 /nfs/dbraw/zinc/27/63/95/558276395.db2.gz PKQAMAMFMILSCQ-IBGZPJMESA-N 0 0 417.509 2.824 40 0 HFABRN Cc1nc([C@H]2CCCCN2C(=O)c2nccn2C)ncc1C(=O)NCc1ccccc1 ZINC000019764277 558277837 /nfs/dbraw/zinc/27/78/37/558277837.db2.gz LLJLCGNPUZMBJZ-LJQANCHMSA-N 0 0 418.501 2.816 40 0 HFABRN CNC(=O)c1cnc(C)nc1[C@@H]1CCCCN1CC(=O)NC(C)(C)Cc1ccccc1 ZINC000019767053 558279012 /nfs/dbraw/zinc/27/90/12/558279012.db2.gz YYVKFWJJBSGUBL-FQEVSTJZSA-N 0 0 423.561 2.809 40 0 HFABRN COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)C[C@@H]1C(=O)NCCc1ccccc1 ZINC000019819193 558289294 /nfs/dbraw/zinc/28/92/94/558289294.db2.gz PSHNFMYCEUZZCK-IBGZPJMESA-N 0 0 410.445 2.985 40 0 HFABRN COc1ccc([C@H](CC(C)C)NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)cc1 ZINC000019932531 558311027 /nfs/dbraw/zinc/31/10/27/558311027.db2.gz FGONOLATGJNQAA-SFHVURJKSA-N 0 0 416.499 2.743 40 0 HFABRN O=C(c1cnc(-c2ccccc2)[nH]c1=O)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000019937332 558312466 /nfs/dbraw/zinc/31/24/66/558312466.db2.gz ACKDCDPLBSPJSH-JXMROGBWSA-N 0 0 400.482 2.908 40 0 HFABRN COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cc(F)ccc2F)cc1Cl ZINC000020016224 558319996 /nfs/dbraw/zinc/31/99/96/558319996.db2.gz HLMKYWPNXMGDIQ-SECBINFHSA-N 0 0 404.822 2.932 40 0 HFABRN CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCc2ccc(F)cc2)cc1Cl ZINC000020016256 558320227 /nfs/dbraw/zinc/32/02/27/558320227.db2.gz FDVKXWDNBPUENP-GFCCVEGCSA-N 0 0 414.886 2.861 40 0 HFABRN COc1ccc(C)cc1S(=O)(=O)N1CCC[C@H](C(=O)NCc2ccc(F)cc2)C1 ZINC000020016974 558320430 /nfs/dbraw/zinc/32/04/30/558320430.db2.gz LFRBNEFSNOZECK-KRWDZBQOSA-N 0 0 420.506 2.860 40 0 HFABRN COc1ccc(F)cc1S(=O)(=O)N1CCC[C@H](C(=O)NCc2ccc(F)cc2)C1 ZINC000020017700 558320608 /nfs/dbraw/zinc/32/06/08/558320608.db2.gz QBNHKMOCAOIJQQ-HNNXBMFYSA-N 0 0 424.469 2.691 40 0 HFABRN COc1ccccc1[C@H](C)NC(=O)COc1ccc(S(=O)(=O)NC(C)C)cc1 ZINC000020018857 558320785 /nfs/dbraw/zinc/32/07/85/558320785.db2.gz FQVSRTVPAKTSCC-HNNXBMFYSA-N 0 0 406.504 2.638 40 0 HFABRN Cc1ccc2c(c1)N[C@]1(CCC(=O)N([C@H](C)C(=O)N3CCC(C)CC3)CC1)NC2=O ZINC000012086515 558321802 /nfs/dbraw/zinc/32/18/02/558321802.db2.gz GEQVQVICHRXSBD-UZUQRXQVSA-N 0 0 412.534 2.506 40 0 HFABRN COc1cc(CCC(=O)N[C@@H]2C[C@@]3(CCC(=O)N(C)CC3)Oc3ccccc32)on1 ZINC000012086449 558321822 /nfs/dbraw/zinc/32/18/22/558321822.db2.gz IILHOLGJXPQBGU-VGSWGCGISA-N 0 0 413.474 2.637 40 0 HFABRN Cc1ccc2c(c1)N[C@@]1(CCC(=O)N([C@H](C)C(=O)N3CCC(C)CC3)CC1)NC2=O ZINC000012086517 558321866 /nfs/dbraw/zinc/32/18/66/558321866.db2.gz GEQVQVICHRXSBD-HXOBKFHXSA-N 0 0 412.534 2.506 40 0 HFABRN Cc1ccc2c(c1)N[C@]1(CCC(=O)N([C@@H](C)C(=O)N3CCCCCC3)CC1)NC2=O ZINC000012086520 558321885 /nfs/dbraw/zinc/32/18/85/558321885.db2.gz GKZXLVHXXVIHRG-GAJHUEQPSA-N 0 0 412.534 2.650 40 0 HFABRN C[C@H](C(=O)N(C)Cc1ccccc1)N1CC[C@@]2(CCC1=O)Nc1ccccc1C(=O)N2 ZINC000012086567 558322018 /nfs/dbraw/zinc/32/20/18/558322018.db2.gz BLOZWTMXFFXVME-OSPHWJPCSA-N 0 0 420.513 2.598 40 0 HFABRN CCc1nn(CC(=O)N(C)CCc2ccccn2)c(=O)c2cc3sc(C)cc3n21 ZINC000012088760 558323366 /nfs/dbraw/zinc/32/33/66/558323366.db2.gz DZOVFZHBXAMHNX-UHFFFAOYSA-N 0 0 409.515 2.678 40 0 HFABRN COc1ccc([C@H](C)NC(=O)c2cc(N(C)S(C)(=O)=O)ccc2OC)cc1OC ZINC000020030177 558324172 /nfs/dbraw/zinc/32/41/72/558324172.db2.gz PLWSRWRGWYLWNY-ZDUSSCGKSA-N 0 0 422.503 2.599 40 0 HFABRN Cc1nc(-c2cccnc2)sc1C(=O)NCc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000020033519 558324649 /nfs/dbraw/zinc/32/46/49/558324649.db2.gz WNKIERZPZQLUPB-UHFFFAOYSA-N 0 0 416.528 2.694 40 0 HFABRN Cc1cccc(CCCNC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)N(C)C)c1 ZINC000020042618 558326298 /nfs/dbraw/zinc/32/62/98/558326298.db2.gz KNHVDJPBJCDQMA-UHFFFAOYSA-N 0 0 417.575 2.974 40 0 HFABRN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N(C)Cc1ccc(Cl)cc1 ZINC000020046819 558327604 /nfs/dbraw/zinc/32/76/04/558327604.db2.gz ROHCCSHEDFKLCT-UHFFFAOYSA-N 0 0 422.934 2.942 40 0 HFABRN Cc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)Nc1ccccc1C(N)=O ZINC000020061839 558329580 /nfs/dbraw/zinc/32/95/80/558329580.db2.gz FFRZCBXRPUOEBT-UHFFFAOYSA-N 0 0 415.515 2.767 40 0 HFABRN c1cnc(N2CCC[C@H](c3nc(N4CCOCC4)ncc3-c3cccnc3)C2)nc1 ZINC000012120198 558330531 /nfs/dbraw/zinc/33/05/31/558330531.db2.gz GJPTWBWIZPUEIN-SFHVURJKSA-N 0 0 403.490 2.549 40 0 HFABRN CC[C@@H](NC(=O)CN(c1cccc(OC)c1)S(C)(=O)=O)c1ccc(OC)cc1 ZINC000020106665 558333765 /nfs/dbraw/zinc/33/37/65/558333765.db2.gz AXSIVBOZWNROAF-LJQANCHMSA-N 0 0 406.504 2.737 40 0 HFABRN Cc1cc2cc3c(cc2n2c(=O)n(CC(=O)N4CCC[C@H]5CCCC[C@H]54)nc12)OCO3 ZINC000012181729 558343184 /nfs/dbraw/zinc/34/31/84/558343184.db2.gz HVDSBCLMVAXRSW-NVXWUHKLSA-N 0 0 422.485 2.868 40 0 HFABRN COc1ccc(OC)c2[nH]c(C(=O)N3CCC4(CC3)NC(=O)c3ccccc3O4)cc21 ZINC000012183559 558344018 /nfs/dbraw/zinc/34/40/18/558344018.db2.gz IQDMVFVPGPUNNG-UHFFFAOYSA-N 0 0 421.453 2.940 40 0 HFABRN O=C(CCn1c(=O)oc2ccccc21)N1CCC(n2c(=O)oc3ccccc32)CC1 ZINC000012184600 558344474 /nfs/dbraw/zinc/34/44/74/558344474.db2.gz DBPZUFPUBISMDR-UHFFFAOYSA-N 0 0 407.426 2.756 40 0 HFABRN CC(=O)c1cccc(NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)N(C)C)c1 ZINC000020244839 558351115 /nfs/dbraw/zinc/35/11/15/558351115.db2.gz GSUWDNWRKGUREI-UHFFFAOYSA-N 0 0 403.504 2.758 40 0 HFABRN CN(C)S(=O)(=O)N(CC(=O)NC12CC3CC(CC(C3)C1)C2)c1ccc(F)cc1 ZINC000020245373 558351404 /nfs/dbraw/zinc/35/14/04/558351404.db2.gz LCLOQZLVDXQJJJ-UHFFFAOYSA-N 0 0 409.527 2.524 40 0 HFABRN CC1(C)Cc2nc(-c3cccnc3)ncc2[C@@H](NC(=O)[C@H]2CC(=O)N(C3CC3)C2)C1 ZINC000012221068 558355970 /nfs/dbraw/zinc/35/59/70/558355970.db2.gz YKKWMSAYDHZETP-KXBFYZLASA-N 0 0 405.502 2.679 40 0 HFABRN COc1ccc(CCCC(=O)N2CCc3c(nc(-c4cnccn4)[nH]c3=O)C2)c(C)c1 ZINC000012258231 558363167 /nfs/dbraw/zinc/36/31/67/558363167.db2.gz LCGXIJPSUSKYTH-UHFFFAOYSA-N 0 0 419.485 2.864 40 0 HFABRN COc1ccc(CN(C)C(=O)c2ccc(CS(=O)(=O)N3CCCC3)cc2)cc1 ZINC000020454981 558368685 /nfs/dbraw/zinc/36/86/85/558368685.db2.gz JBLXLAHUZGBMKJ-UHFFFAOYSA-N 0 0 402.516 2.893 40 0 HFABRN CC(C)OCCCNC(=O)[C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 ZINC000020459675 558372160 /nfs/dbraw/zinc/37/21/60/558372160.db2.gz RAPATWNZNUKIQY-HXUWFJFHSA-N 0 0 410.580 2.592 40 0 HFABRN CNc1nc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)nc2c1C(=O)CC(C)(C)C2 ZINC000020478166 558374744 /nfs/dbraw/zinc/37/47/44/558374744.db2.gz NVTGNQBBJCKWLF-UHFFFAOYSA-N 0 0 423.517 2.724 40 0 HFABRN CC(C)NC(=O)c1ccccc1NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000020632115 558394969 /nfs/dbraw/zinc/39/49/69/558394969.db2.gz IHWUXTHBRRAHER-UHFFFAOYSA-N 0 0 415.515 2.862 40 0 HFABRN CCOC(=O)[C@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@@H]1c1ccc(F)cc1 ZINC000020802042 558415606 /nfs/dbraw/zinc/41/56/06/558415606.db2.gz ISZYUAGEEKAYAY-RTBURBONSA-N 0 0 411.433 2.937 40 0 HFABRN CN(CCNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccccc1 ZINC000012611656 558438745 /nfs/dbraw/zinc/43/87/45/558438745.db2.gz GKMFIPDDPLKMDL-UHFFFAOYSA-N 0 0 401.532 2.727 40 0 HFABRN Cc1cccc(C)c1OCC(=O)NCCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000022227169 558467141 /nfs/dbraw/zinc/46/71/41/558467141.db2.gz PXCANECSWLFDLN-UHFFFAOYSA-N 0 0 416.543 2.826 40 0 HFABRN COc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)NCCc2ccccc2)c1 ZINC000022229666 558468413 /nfs/dbraw/zinc/46/84/13/558468413.db2.gz YWPQWIGVOLHBDN-LJQANCHMSA-N 0 0 402.516 2.516 40 0 HFABRN Cc1ccc(CN(c2ccc(OCC(=O)N3CCCC3)cc2)S(C)(=O)=O)cc1 ZINC000022231771 558469524 /nfs/dbraw/zinc/46/95/24/558469524.db2.gz HJLWEBDRYRISJO-UHFFFAOYSA-N 0 0 402.516 2.962 40 0 HFABRN CS(=O)(=O)N(Cc1ccccc1F)c1ccc(OCC(=O)N2CCCC2)cc1 ZINC000022233669 558469931 /nfs/dbraw/zinc/46/99/31/558469931.db2.gz AJUPQFSNCVYLQT-UHFFFAOYSA-N 0 0 406.479 2.793 40 0 HFABRN CCN(CC)C(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(OC)c(C)c1 ZINC000022247148 558472286 /nfs/dbraw/zinc/47/22/86/558472286.db2.gz GXJGBAGJPMAWHT-LJQANCHMSA-N 0 0 404.532 2.762 40 0 HFABRN CCNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(OCC)c(Cl)c1 ZINC000022269265 558475170 /nfs/dbraw/zinc/47/51/70/558475170.db2.gz YNJXGVLRLQGGGB-KRWDZBQOSA-N 0 0 410.923 2.764 40 0 HFABRN COc1ccccc1CCCNC(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O ZINC000022328671 558479104 /nfs/dbraw/zinc/47/91/04/558479104.db2.gz OSBDSWRHKIEMTO-UHFFFAOYSA-N 0 0 404.532 2.827 40 0 HFABRN Cc1ccccc1OC[C@H](C)NC(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O ZINC000022330982 558479915 /nfs/dbraw/zinc/47/99/15/558479915.db2.gz XFKBCZKYQLBTER-HNNXBMFYSA-N 0 0 410.923 2.998 40 0 HFABRN CC[C@H](NC(=O)CN(c1ccccc1F)S(C)(=O)=O)c1ccc(OC)c(OC)c1 ZINC000022335446 558481071 /nfs/dbraw/zinc/48/10/71/558481071.db2.gz KLFCBWHOATXHMI-INIZCTEOSA-N 0 0 424.494 2.876 40 0 HFABRN CC[C@H](NC(=O)CN(c1ccc(F)cc1)S(C)(=O)=O)c1ccc(OC)c(OC)c1 ZINC000022335796 558481123 /nfs/dbraw/zinc/48/11/23/558481123.db2.gz FALIXXTUGUFGDN-KRWDZBQOSA-N 0 0 424.494 2.876 40 0 HFABRN COc1ccccc1CCCNC(=O)CN(c1c(C)cccc1C)S(C)(=O)=O ZINC000022338527 558481948 /nfs/dbraw/zinc/48/19/48/558481948.db2.gz FQBHKNJDLVXRCA-UHFFFAOYSA-N 0 0 404.532 2.827 40 0 HFABRN CCOc1cccc(N(CC(=O)NCCCc2cccc(C)c2)S(C)(=O)=O)c1 ZINC000022394502 558486365 /nfs/dbraw/zinc/48/63/65/558486365.db2.gz IECXZYGEYCYMHF-UHFFFAOYSA-N 0 0 404.532 2.909 40 0 HFABRN CC(C)c1ccccc1N(CC(=O)NCCN(C)c1ccccc1)S(C)(=O)=O ZINC000022401502 558487523 /nfs/dbraw/zinc/48/75/23/558487523.db2.gz SCCLMOUVUKHFKJ-UHFFFAOYSA-N 0 0 403.548 2.829 40 0 HFABRN CCOC(=O)c1cc(NC(=O)CN(c2ccccc2)S(C)(=O)=O)ccc1Cl ZINC000022432071 558489243 /nfs/dbraw/zinc/48/92/43/558489243.db2.gz BJFQRDKBJNPRSM-UHFFFAOYSA-N 0 0 410.879 2.921 40 0 HFABRN O=C(Nc1ccccc1C(=O)NC[C@H]1CCCO1)c1cccc(CN2CCOCC2)c1 ZINC000022518453 558494340 /nfs/dbraw/zinc/49/43/40/558494340.db2.gz NLPLKJBTTWCAJZ-HXUWFJFHSA-N 0 0 423.513 2.680 40 0 HFABRN CCN(CC(=O)N[C@H](C)c1ccc(F)cc1)S(=O)(=O)c1cc(F)ccc1OC ZINC000022539271 558498756 /nfs/dbraw/zinc/49/87/56/558498756.db2.gz FFOBXRHWOYDXNH-CYBMUJFWSA-N 0 0 412.458 2.861 40 0 HFABRN Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCC(C)CC4)[nH]c(=O)c32)c(C)c1 ZINC000022610370 558501723 /nfs/dbraw/zinc/50/17/23/558501723.db2.gz HKEOMYVRPOXAMF-OAHLLOKOSA-N 0 0 409.490 2.688 40 0 HFABRN Ic1ccccc1Nc1nc2nonc2nc1-n1ccnc1 ZINC000013233767 558527445 /nfs/dbraw/zinc/52/74/45/558527445.db2.gz HRGGLCXUECOEPD-UHFFFAOYSA-N 0 0 405.159 2.547 40 0 HFABRN O=C1[C@H]2[C@@H](C(=O)N1C1CCCCC1)C1C=CC2[C@@H]2C(=O)N(C3CCCCC3)C(=O)[C@@H]21 ZINC000013471811 558534013 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CCOc1ccccc1N(CC(=O)NCCCc1cccc(C)c1)S(C)(=O)=O ZINC000013648387 558557648 /nfs/dbraw/zinc/55/76/48/558557648.db2.gz JKDYPSORFIZZLK-UHFFFAOYSA-N 0 0 404.532 2.909 40 0 HFABRN COc1ccc(S(=O)(=O)NCc2cc(OC)c(OC)c(OC)c2)cc1Cl ZINC000013672270 558562959 /nfs/dbraw/zinc/56/29/59/558562959.db2.gz MRUXRKLRUCEVCJ-UHFFFAOYSA-N 0 0 401.868 2.853 40 0 HFABRN CCOC(=O)c1cccc(NC(=O)[C@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)c1 ZINC000013672891 558563185 /nfs/dbraw/zinc/56/31/85/558563185.db2.gz XUNAQVMFZYBQJS-ZDUSSCGKSA-N 0 0 408.451 2.796 40 0 HFABRN COc1ccc(CN(C)S(=O)(=O)c2ccc(OC)c(C(=O)NC(C)C)c2)cc1 ZINC000013681427 558566753 /nfs/dbraw/zinc/56/67/53/558566753.db2.gz ZHFIIBARACZWCR-UHFFFAOYSA-N 0 0 406.504 2.663 40 0 HFABRN CC[C@@H](C(=O)Nc1ccccc1C(N)=O)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000013686370 558569783 /nfs/dbraw/zinc/56/97/83/558569783.db2.gz JTOQXNWBPINYKS-INIZCTEOSA-N 0 0 409.895 2.622 40 0 HFABRN CC[C@@H](C(=O)N1CCN(c2ccccc2F)CC1)N(c1ccccc1)S(C)(=O)=O ZINC000013711337 558576059 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558934021 /nfs/dbraw/zinc/93/40/21/558934021.db2.gz GXGHRWLXOPHVCE-QMHKHESXSA-N 0 0 424.501 2.781 40 0 HFABRN COc1nc(C)c(CC(=O)N2Cc3ccccc3C[C@@H]2C2CCOCC2)c(OC)n1 ZINC000019579465 558935153 /nfs/dbraw/zinc/93/51/53/558935153.db2.gz RXIKFXWLARCEBS-HXUWFJFHSA-N 0 0 411.502 2.725 40 0 HFABRN CN(C)C(=O)[C@@]1(Cc2cccc(-c3cccs3)c2)CCN(C(=O)Cn2cncn2)C1 ZINC000019580048 558935614 /nfs/dbraw/zinc/93/56/14/558935614.db2.gz NJIZKORPLRXMGA-JOCHJYFZSA-N 0 0 423.542 2.556 40 0 HFABRN CCn1c2cc(C)oc2c2cnn(CC(=O)N(Cc3cccnc3)C3CC3)c(=O)c21 ZINC000072335355 558936442 /nfs/dbraw/zinc/93/64/42/558936442.db2.gz DUJWOXLSSDUTMB-UHFFFAOYSA-N 0 0 405.458 2.859 40 0 HFABRN Cn1ccnc1[C@]1(O)CCCN(c2ncc(-c3cnccn3)c(-c3ccco3)n2)CC1 ZINC000072338664 558938204 /nfs/dbraw/zinc/93/82/04/558938204.db2.gz MXHJPMAITMOBFR-QFIPXVFZSA-N 0 0 417.473 2.805 40 0 HFABRN COc1cccc([C@H](NC(=O)c2cc(-c3cn(C)nc3C)no2)c2nccn2C)c1 ZINC000019584086 558938249 /nfs/dbraw/zinc/93/82/49/558938249.db2.gz UHZKMRSZXFTUER-IBGZPJMESA-N 0 0 406.446 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558941652 /nfs/dbraw/zinc/94/16/52/558941652.db2.gz DOQZEAUHFAGFAB-QHCPKHFHSA-N 0 0 421.476 2.822 40 0 HFABRN Cn1cc(C(=O)N2CCC[C@H](c3nc(N)ncc3-c3cccc(F)c3)C2)ccc1=O ZINC000072346198 558943119 /nfs/dbraw/zinc/94/31/19/558943119.db2.gz XINRUOXVWJZLMG-HNNXBMFYSA-N 0 0 407.449 2.583 40 0 HFABRN COC(=O)c1c2c(sc1NC(=O)c1cccc(S(=O)(=O)N(C)C)c1)CCCC2 ZINC000060525125 558943215 /nfs/dbraw/zinc/94/32/15/558943215.db2.gz NFWCAOCWZHVLDR-UHFFFAOYSA-N 0 0 422.528 2.916 40 0 HFABRN Cn1cc(C(=O)N2CCC[C@H](c3nc(N)ncc3-c3ccc(F)cc3)C2)ccc1=O ZINC000072346196 558943185 /nfs/dbraw/zinc/94/31/85/558943185.db2.gz PFCADLYCAIQTOD-HNNXBMFYSA-N 0 0 407.449 2.583 40 0 HFABRN CCc1nc(=O)c2ccccc2n1C1=CCN(C(=O)CCn2nc(C)cc2C)CC1 ZINC000072348247 558945231 /nfs/dbraw/zinc/94/52/31/558945231.db2.gz QJVWVGWBSSQXSZ-UHFFFAOYSA-N 0 0 405.502 2.936 40 0 HFABRN COc1ncccc1-c1cc(=O)[nH]c([C@H]2CCN(C(=O)Cc3ccc(F)cc3)C2)n1 ZINC000019594676 558945554 /nfs/dbraw/zinc/94/55/54/558945554.db2.gz XONSXQURJUUICH-HNNXBMFYSA-N 0 0 408.433 2.538 40 0 HFABRN COC(=O)c1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc3ccccc3c2)c1 ZINC000019628500 558947237 /nfs/dbraw/zinc/94/72/37/558947237.db2.gz JJAFNOBMBHFJKN-UHFFFAOYSA-N 0 0 412.467 2.886 40 0 HFABRN COc1ccc(CCC2CCN(C(=O)C[C@@H]3SC4=NCCN4C3=O)CC2)cc1 ZINC000019654991 558948386 /nfs/dbraw/zinc/94/83/86/558948386.db2.gz KSWRQMOLBQZFCF-SFHVURJKSA-N 0 0 401.532 2.570 40 0 HFABRN CN(CC(=O)Nc1ccc2c(c1)ncn2C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000019655240 558948636 /nfs/dbraw/zinc/94/86/36/558948636.db2.gz BVWQCJAZOSOXQE-QGZVFWFLSA-N 0 0 404.536 2.599 40 0 HFABRN O=C(CCN1CCCC1=O)Nc1ccc(-c2cn3nc4c(nc3n2)CCCC4)cc1 ZINC000019657264 558949701 /nfs/dbraw/zinc/94/97/01/558949701.db2.gz ULNLZGOUKSUOBJ-UHFFFAOYSA-N 0 0 404.474 2.621 40 0 HFABRN COc1cccc([C@H](CNS(=O)(=O)c2ccc3oc(=O)[nH]c3c2)N2CCCC2)c1 ZINC000019662835 558953835 /nfs/dbraw/zinc/95/38/35/558953835.db2.gz FAQJRJUMFHHDLZ-SFHVURJKSA-N 0 0 417.487 2.657 40 0 HFABRN Cc1nc([C@H]2CCCCN2S(C)(=O)=O)nc2c1CC(=O)N2CC1CCCCC1 ZINC000072371833 558959159 /nfs/dbraw/zinc/95/91/59/558959159.db2.gz YPOZKCUTYYKZLB-QGZVFWFLSA-N 0 0 406.552 2.741 40 0 HFABRN COc1cccc(-c2cnc(N(C)C)nc2[C@@H]2CCCN(C(=O)Cn3cccn3)C2)c1 ZINC000019694249 558962553 /nfs/dbraw/zinc/96/25/53/558962553.db2.gz VHYQPFYNLDRYLG-GOSISDBHSA-N 0 0 420.517 2.821 40 0 HFABRN COc1ccc(-c2cnc(N(C)C)nc2C2CCN(C(=O)Cn3cccn3)CC2)cc1 ZINC000019695224 558963909 /nfs/dbraw/zinc/96/39/09/558963909.db2.gz BFJICZOTXLUOMQ-UHFFFAOYSA-N 0 0 420.517 2.821 40 0 HFABRN Cc1cccc(Nc2cccc([C@@H]3CCCN3C(=O)COCCN3CCCC3=O)n2)n1 ZINC000072375543 558964239 /nfs/dbraw/zinc/96/42/39/558964239.db2.gz YPECAYLXUABCCK-IBGZPJMESA-N 0 0 423.517 2.831 40 0 HFABRN CCS(=O)(=O)[C@@](Br)(I)[C@@H](O)c1ccccc1 ZINC000096521074 558964300 /nfs/dbraw/zinc/96/43/00/558964300.db2.gz GPEWULGMIRRKDO-UWVGGRQHSA-N 0 0 419.078 2.638 40 0 HFABRN COc1ccc(CNC(=O)[C@H]2CN(C(=O)c3ccc(F)cc3)Cc3cn(C)nc32)cc1 ZINC000019696303 558964561 /nfs/dbraw/zinc/96/45/61/558964561.db2.gz VNRAIIOOOQXEHW-FQEVSTJZSA-N 0 0 422.460 2.624 40 0 HFABRN Cc1nc(C)c(C(=O)NCCc2nc(C)ncc2C(=O)NCc2ccccc2)s1 ZINC000019697282 558964984 /nfs/dbraw/zinc/96/49/84/558964984.db2.gz BZUSPUMHCRBJIZ-UHFFFAOYSA-N 0 0 409.515 2.761 40 0 HFABRN CNc1cc([C@H]2CC(=O)N(c3ccc(F)cc3)C2)nc(C2CCN(C(C)=O)CC2)n1 ZINC000019697471 558965077 /nfs/dbraw/zinc/96/50/77/558965077.db2.gz DYJXBPGWSKPSOZ-INIZCTEOSA-N 0 0 411.481 2.904 40 0 HFABRN COc1cccc(CN2C(=O)CCc3c(C)nc(CN(C)Cc4cnn(C)c4)nc32)c1 ZINC000019698680 558966331 /nfs/dbraw/zinc/96/63/31/558966331.db2.gz OWSHRBCQYRPAOZ-UHFFFAOYSA-N 0 0 420.517 2.639 40 0 HFABRN CC(=O)NCC(=O)N1CCCC[C@H]1c1nc(N)ncc1-c1cccc(C(F)(F)F)c1 ZINC000072377152 558966489 /nfs/dbraw/zinc/96/64/89/558966489.db2.gz DQWUURYOOLAMQC-INIZCTEOSA-N 0 0 421.423 2.934 40 0 HFABRN COc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccnc(Nc3cnccn3)n2)cc1 ZINC000072377746 558966911 /nfs/dbraw/zinc/96/69/11/558966911.db2.gz LSBWHAIZGJVXMI-QGZVFWFLSA-N 0 0 412.475 2.545 40 0 HFABRN Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](c2ccnc(Nc3ccccn3)n2)C1 ZINC000072378075 558967258 /nfs/dbraw/zinc/96/72/58/558967258.db2.gz UXRUDQFKRJJAIY-HNNXBMFYSA-N 0 0 414.491 2.788 40 0 HFABRN CNc1nc([C@@H]2CCCCN2C(=O)Cc2cccc(OC)c2)nc2c1CCN(C)C2 ZINC000019708470 558970840 /nfs/dbraw/zinc/97/08/40/558970840.db2.gz YEDRFEOTUKWJGN-FQEVSTJZSA-N 0 0 409.534 2.811 40 0 HFABRN CNc1nc([C@@H]2CCCN(C(=O)CCc3ccc(OC)cc3)C2)nc2c1CCN(C)C2 ZINC000019708786 558971394 /nfs/dbraw/zinc/97/13/94/558971394.db2.gz LDDNYCBIIRYOQY-GOSISDBHSA-N 0 0 423.561 2.854 40 0 HFABRN CNC(=O)c1ccc([C@H]2CCCN2C(=O)c2ccc3c(c2)NC(=O)C(C)(C)O3)nc1C ZINC000019709332 558971555 /nfs/dbraw/zinc/97/15/55/558971555.db2.gz IUZBAWMFTBIDAJ-GOSISDBHSA-N 0 0 422.485 2.836 40 0 HFABRN Cn1c2ccc(CCC(=O)NCCc3nc(C(C)(C)C)cs3)cc2n(C)c1=O ZINC000072391763 558971542 /nfs/dbraw/zinc/97/15/42/558971542.db2.gz DQLMBLKFCWMMOB-UHFFFAOYSA-N 0 0 400.548 2.923 40 0 HFABRN CC(C)(C)[C@H]1CCc2noc(C3CCN(C(=O)CC[C@H]4NC(=O)NC4=O)CC3)c2C1 ZINC000072392411 558972102 /nfs/dbraw/zinc/97/21/02/558972102.db2.gz RLINUKSQUZVUGV-WMLDXEAASA-N 0 0 416.522 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/nfs/dbraw/zinc/49/26/37/568492637.db2.gz UJDMFQYXWOSAHI-UHFFFAOYSA-N 0 0 416.499 2.715 40 0 HFABRN CCC[C@H](c1nnnn1CCOC)N1CCN(c2nc3ccccc3s2)CC1 ZINC000057670004 568494580 /nfs/dbraw/zinc/49/45/80/568494580.db2.gz QZPVKAHOLHLBDJ-MRXNPFEDSA-N 0 0 401.540 2.593 40 0 HFABRN CC(C)C[C@H](c1nnnn1C[C@H]1CCCO1)N1CCN(c2ccccc2F)CC1 ZINC000057670524 568494736 /nfs/dbraw/zinc/49/47/36/568494736.db2.gz IPKKVJVZGIHVBY-YLJYHZDGSA-N 0 0 402.518 2.901 40 0 HFABRN CC(C)C[C@@H](c1nnnn1C[C@@H]1CCCO1)N1CCN(c2ccc(F)cc2)CC1 ZINC000057670528 568494743 /nfs/dbraw/zinc/49/47/43/568494743.db2.gz WORUOBPOPYDIRD-PMACEKPBSA-N 0 0 402.518 2.901 40 0 HFABRN CCOC(=O)C1=C(CN2CCCC[C@@H]2C)NC(=O)N[C@H]1c1ccc(OC)c(OC)c1 ZINC000057731090 568496380 /nfs/dbraw/zinc/49/63/80/568496380.db2.gz DDRDDUOQMUYICI-XOBRGWDASA-N 0 0 417.506 2.749 40 0 HFABRN COc1ccc(CCCNC(=O)CCCN(C)S(=O)(=O)c2ccccc2)cc1 ZINC000219721489 568497685 /nfs/dbraw/zinc/49/76/85/568497685.db2.gz GXAXITAYMYTFII-UHFFFAOYSA-N 0 0 404.532 2.845 40 0 HFABRN COC(=O)c1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000219748424 568498073 /nfs/dbraw/zinc/49/80/73/568498073.db2.gz KUIQTYGCESNHDB-KRWDZBQOSA-N 0 0 422.890 2.918 40 0 HFABRN COc1ccc(/C=C/C(=O)N[C@@H](C)C(=O)N2CCN(C)C[C@@H]2c2ccccc2)cc1 ZINC000022840300 568500092 /nfs/dbraw/zinc/50/00/92/568500092.db2.gz WVZJQNZRHVCHDI-NOZTZVSSSA-N 0 0 407.514 2.728 40 0 HFABRN COc1ccc(OC[C@@H](C)NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cc1 ZINC000219976836 568500661 /nfs/dbraw/zinc/50/06/61/568500661.db2.gz IIWZGPNAIKCCAT-MRXNPFEDSA-N 0 0 418.515 2.677 40 0 HFABRN O=C(NCCSC1CCCCC1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000219988260 568500968 /nfs/dbraw/zinc/50/09/68/568500968.db2.gz CVNRGOIOHZFHDK-UHFFFAOYSA-N 0 0 412.577 2.503 40 0 HFABRN CC(C)Oc1cccc(N(CC(=O)N2CCc3ccccc3C2)S(C)(=O)=O)c1 ZINC000220102615 568502316 /nfs/dbraw/zinc/50/23/16/568502316.db2.gz XQYDKCFSNBVHJS-UHFFFAOYSA-N 0 0 402.516 2.825 40 0 HFABRN CC(C)Oc1cccc(N(CC(=O)NCCCc2ccccc2)S(C)(=O)=O)c1 ZINC000220110358 568502433 /nfs/dbraw/zinc/50/24/33/568502433.db2.gz HYBZZMSKMQILNV-UHFFFAOYSA-N 0 0 404.532 2.989 40 0 HFABRN CCCNC(=O)c1ccccc1NC(=O)[C@H](C)N(c1cccc(C)c1)S(C)(=O)=O ZINC000220135516 568502713 /nfs/dbraw/zinc/50/27/13/568502713.db2.gz GJUCCZLTLDKVKR-INIZCTEOSA-N 0 0 417.531 2.928 40 0 HFABRN CCOc1cccc(CNC(=O)[C@@H](C)N(c2cccc(OC)c2)S(C)(=O)=O)c1 ZINC000220181286 568503095 /nfs/dbraw/zinc/50/30/95/568503095.db2.gz DSQHEADRLNFTMA-OAHLLOKOSA-N 0 0 406.504 2.565 40 0 HFABRN COc1ccc(OC)c(N([C@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)S(C)(=O)=O)c1 ZINC000220222281 568503561 /nfs/dbraw/zinc/50/35/61/568503561.db2.gz KHCIJHNUDQPICD-UONOGXRCSA-N 0 0 424.494 2.875 40 0 HFABRN CCc1ccc(N([C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1 ZINC000220273450 568504174 /nfs/dbraw/zinc/50/41/74/568504174.db2.gz FDJRVBHNZAUEAV-CQSZACIVSA-N 0 0 404.488 2.813 40 0 HFABRN COc1cccc(CCCNC(=O)[C@@H](C)N(c2ccccc2F)S(C)(=O)=O)c1 ZINC000220313615 568504603 /nfs/dbraw/zinc/50/46/03/568504603.db2.gz XDSKLRCAVYHPNU-OAHLLOKOSA-N 0 0 408.495 2.738 40 0 HFABRN COc1ccc(CCNC(=O)[C@@H](C)N(c2cc(C)ccc2OC)S(C)(=O)=O)cc1 ZINC000220332561 568504708 /nfs/dbraw/zinc/50/47/08/568504708.db2.gz XBZJOZVVHNFQLH-MRXNPFEDSA-N 0 0 420.531 2.526 40 0 HFABRN CC(C)NC(=O)c1ccccc1NC(=O)[C@@H](C)N(c1cccc(F)c1)S(C)(=O)=O ZINC000220474149 568505982 /nfs/dbraw/zinc/50/59/82/568505982.db2.gz NNKSLUDSPIHFKE-CQSZACIVSA-N 0 0 421.494 2.757 40 0 HFABRN COc1ccc(OC[C@@H](C)NC(=O)[C@@H](C)N(c2cccc(F)c2)S(C)(=O)=O)cc1 ZINC000220482964 568505992 /nfs/dbraw/zinc/50/59/92/568505992.db2.gz MSNBSMZATKQMQB-HUUCEWRRSA-N 0 0 424.494 2.573 40 0 HFABRN COC(=O)c1cccc(NC(=O)[C@@H](C)N(c2cccc(F)c2)S(C)(=O)=O)c1C ZINC000220476236 568506014 /nfs/dbraw/zinc/50/60/14/568506014.db2.gz XMULVAWWZQDSKV-CYBMUJFWSA-N 0 0 408.451 2.714 40 0 HFABRN C[C@@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)N(c1cccc(F)c1)S(C)(=O)=O ZINC000220487027 568506098 /nfs/dbraw/zinc/50/60/98/568506098.db2.gz XZFMXXHYAHGHAW-AWEZNQCLSA-N 0 0 419.478 2.746 40 0 HFABRN CC[C@@H](C(=O)Nc1cccc(C(=O)OC)c1)N(c1cccc(C)c1)S(C)(=O)=O ZINC000220513930 568506302 /nfs/dbraw/zinc/50/63/02/568506302.db2.gz TVFMPLDCVAGGAL-SFHVURJKSA-N 0 0 404.488 2.965 40 0 HFABRN CC[C@H](C(=O)Nc1ccccc1C(N)=O)N(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000220574105 568507099 /nfs/dbraw/zinc/50/70/99/568507099.db2.gz HHCYICOMAOVKRA-GOSISDBHSA-N 0 0 403.504 2.586 40 0 HFABRN CC[C@H](C(=O)N1CCc2ccccc2C1)N(c1cccc(OC)c1)S(C)(=O)=O ZINC000220614411 568507514 /nfs/dbraw/zinc/50/75/14/568507514.db2.gz YPDPNYLWIRQXOQ-HXUWFJFHSA-N 0 0 402.516 2.825 40 0 HFABRN CC[C@H](C(=O)Nc1cccc(C(=O)OC)c1)N(c1cccc(OC)c1)S(C)(=O)=O ZINC000220625058 568507622 /nfs/dbraw/zinc/50/76/22/568507622.db2.gz MUUUGAWQUPBVBL-GOSISDBHSA-N 0 0 420.487 2.665 40 0 HFABRN CCOc1ccccc1CNC(=O)[C@H](CC)N(c1cccc(OC)c1)S(C)(=O)=O ZINC000220629964 568507710 /nfs/dbraw/zinc/50/77/10/568507710.db2.gz AKVBMYPFIJZKCZ-IBGZPJMESA-N 0 0 420.531 2.955 40 0 HFABRN CCN(c1ccc(C(=O)N2CCN(c3ccccc3F)CC2)cc1)S(=O)(=O)CC ZINC000222394153 568515114 /nfs/dbraw/zinc/51/51/14/568515114.db2.gz HRYQRTZUDFOOIQ-UHFFFAOYSA-N 0 0 419.522 2.964 40 0 HFABRN CCN(c1ccc(C(=O)NCc2nc(-c3ccccc3)no2)cc1)S(=O)(=O)CC ZINC000222403742 568515394 /nfs/dbraw/zinc/51/53/94/568515394.db2.gz XFIICLCUXIKMAA-UHFFFAOYSA-N 0 0 414.487 2.843 40 0 HFABRN COC(=O)c1ccc(NC(=O)CCCN(c2ccccc2OC)S(C)(=O)=O)cc1 ZINC000222577825 568519099 /nfs/dbraw/zinc/51/90/99/568519099.db2.gz SFEXCZKABXPTQS-UHFFFAOYSA-N 0 0 420.487 2.667 40 0 HFABRN COc1ccccc1N(CCCC(=O)Nc1ccc2c(c1)OCO2)S(C)(=O)=O ZINC000222578807 568519100 /nfs/dbraw/zinc/51/91/00/568519100.db2.gz NBPDSAKADNOQSG-UHFFFAOYSA-N 0 0 406.460 2.609 40 0 HFABRN O=C(NCc1nc(-c2ccccc2)no1)c1ccc(N2CCCCS2(=O)=O)cc1 ZINC000222592011 568519706 /nfs/dbraw/zinc/51/97/06/568519706.db2.gz JRTQZVUWLLJBPM-UHFFFAOYSA-N 0 0 412.471 2.597 40 0 HFABRN COc1ccccc1[C@H](C)NC(=O)[C@@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1 ZINC000222624176 568521181 /nfs/dbraw/zinc/52/11/81/568521181.db2.gz CRNCKYLWKQZPKN-LSDHHAIUSA-N 0 0 406.504 2.736 40 0 HFABRN COC(=O)c1cn(C(=O)CN(Cc2ccc(C)cc2)S(C)(=O)=O)c2ccccc12 ZINC000222647752 568522203 /nfs/dbraw/zinc/52/22/03/568522203.db2.gz GLLJOZYNQDQKEU-UHFFFAOYSA-N 0 0 414.483 2.838 40 0 HFABRN CN(C)S(=O)(=O)N(CC(=O)NC(C)(C)Cc1ccccc1)c1ccccc1F ZINC000222654172 568522389 /nfs/dbraw/zinc/52/23/89/568522389.db2.gz CQNWMGICGGQKSV-UHFFFAOYSA-N 0 0 407.511 2.576 40 0 HFABRN CC[C@H](C)NS(=O)(=O)c1ccc(OCC(=O)N2CCOc3ccccc32)cc1 ZINC000222661061 568522652 /nfs/dbraw/zinc/52/26/52/568522652.db2.gz IGUSUHAZGOFINO-HNNXBMFYSA-N 0 0 404.488 2.568 40 0 HFABRN C[C@@H](NC(=O)[C@@H](C)N(c1ccc(F)cc1)S(C)(=O)=O)c1ccc2c(c1)OCCO2 ZINC000222684877 568523717 /nfs/dbraw/zinc/52/37/17/568523717.db2.gz QFWDIGLGAYWLAY-ZIAGYGMSSA-N 0 0 422.478 2.629 40 0 HFABRN Cc1cc(S(=O)(=O)N[C@H](C)c2ccc3c(c2)OCCO3)ccc1N1CCCC1=O ZINC000222703944 568524206 /nfs/dbraw/zinc/52/42/06/568524206.db2.gz BSYHCOMZKXHQTL-OAHLLOKOSA-N 0 0 416.499 2.933 40 0 HFABRN CC(C)CNS(=O)(=O)c1ccc(CCC(=O)N2CCOc3ccccc32)cc1 ZINC000222845630 568528211 /nfs/dbraw/zinc/52/82/11/568528211.db2.gz KJCNRBQURASWNB-UHFFFAOYSA-N 0 0 402.516 2.979 40 0 HFABRN COc1ccc(CN(C)C(=O)CCc2ccc(S(=O)(=O)NC(C)C)cc2)cc1 ZINC000222847455 568528270 /nfs/dbraw/zinc/52/82/70/568528270.db2.gz PUUYHZKFMAHQKS-UHFFFAOYSA-N 0 0 404.532 2.973 40 0 HFABRN CCOC(=O)c1cccc(NC(=O)CN(Cc2ccccc2)S(C)(=O)=O)c1C ZINC000222861038 568528788 /nfs/dbraw/zinc/52/87/88/568528788.db2.gz NVZGYBZFYBJIFI-UHFFFAOYSA-N 0 0 404.488 2.572 40 0 HFABRN C[C@@H](C(=O)NC[C@H]1CCCO1)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1 ZINC000222929254 568531280 /nfs/dbraw/zinc/53/12/80/568531280.db2.gz NXEUJIZDXKAZGB-LAUBAEHRSA-N 0 0 414.477 2.917 40 0 HFABRN COc1ccc(CCCNC(=O)CN(C)S(=O)(=O)c2ccc(SC)cc2)cc1 ZINC000222943635 568531876 /nfs/dbraw/zinc/53/18/76/568531876.db2.gz XAXHLJWQIGDAOP-UHFFFAOYSA-N 0 0 422.572 2.787 40 0 HFABRN COc1ccc(S(=O)(=O)NCCSc2n[nH]c(-c3ccccc3)n2)cc1OC ZINC000222978025 568532896 /nfs/dbraw/zinc/53/28/96/568532896.db2.gz WVGAFWIMEFEGHI-UHFFFAOYSA-N 0 0 420.516 2.560 40 0 HFABRN CCOc1ccc(S(=O)(=O)NCCSc2n[nH]c(-c3ccccc3)n2)cc1 ZINC000223001768 568533988 /nfs/dbraw/zinc/53/39/88/568533988.db2.gz IUUSHJUTMWHWLN-UHFFFAOYSA-N 0 0 404.517 2.941 40 0 HFABRN O=C(Nc1nnc(S(=O)(=O)N2CCCC2)s1)c1ccc(Cl)cc1Cl ZINC000223013728 568534298 /nfs/dbraw/zinc/53/42/98/568534298.db2.gz YCNAWZGXZDRIEL-UHFFFAOYSA-N 0 0 407.304 2.882 40 0 HFABRN Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4C[C@H](C)C[C@@H](C)C4)[nH]c(=O)c32)c(C)c1 ZINC000223052178 568535636 /nfs/dbraw/zinc/53/56/36/568535636.db2.gz WJUWKRBZFYJTDT-IIAWOOMASA-N 0 0 423.517 2.934 40 0 HFABRN CCc1ccccc1NC(=O)[C@H]1CC(=O)Nc2nc(N3CCC[C@@H](C)C3)[nH]c(=O)c21 ZINC000223054287 568535842 /nfs/dbraw/zinc/53/58/42/568535842.db2.gz GDLMZBDZILZYSW-HIFRSBDPSA-N 0 0 409.490 2.633 40 0 HFABRN CS(=O)(=O)N(CCc1ccccc1)CC(=O)Nc1cc(-c2cccc(F)c2)[nH]n1 ZINC000223060856 568536185 /nfs/dbraw/zinc/53/61/85/568536185.db2.gz NPKNPVOAXRVCCJ-UHFFFAOYSA-N 0 0 416.478 2.659 40 0 HFABRN CS(=O)(=O)N(CC(=O)Nc1cc(-c2cccc(F)c2)[nH]n1)Cc1ccccc1 ZINC000223063334 568536309 /nfs/dbraw/zinc/53/63/09/568536309.db2.gz RFFICRNQDMUFOO-UHFFFAOYSA-N 0 0 402.451 2.616 40 0 HFABRN CCn1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c1C ZINC000223136446 568539089 /nfs/dbraw/zinc/53/90/89/568539089.db2.gz DGMHQFSUJGIAIX-SFTDATJTSA-N 0 0 413.591 2.825 40 0 HFABRN CC(C)CSc1nnc(NC(=O)CN(Cc2ccccc2)S(C)(=O)=O)s1 ZINC000223207813 568541078 /nfs/dbraw/zinc/54/10/78/568541078.db2.gz HEZAMWWHKKHMKJ-UHFFFAOYSA-N 0 0 414.578 2.687 40 0 HFABRN Cc1ccc(CN(CC(=O)NCCSCc2ccccc2)S(C)(=O)=O)cc1 ZINC000223222773 568541429 /nfs/dbraw/zinc/54/14/29/568541429.db2.gz IEOKVQOZMFZCSI-UHFFFAOYSA-N 0 0 406.573 2.806 40 0 HFABRN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@@H](c1ccccc1)N(C)S(C)(=O)=O ZINC000223231424 568541853 /nfs/dbraw/zinc/54/18/53/568541853.db2.gz SCJOINSSEDVRSD-DNVCBOLYSA-N 0 0 417.531 2.786 40 0 HFABRN COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)NCCCc1ccccc1 ZINC000223255953 568542856 /nfs/dbraw/zinc/54/28/56/568542856.db2.gz QAEZWDIWGOLINL-UHFFFAOYSA-N 0 0 404.532 2.627 40 0 HFABRN 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/nfs/dbraw/zinc/54/98/88/568549888.db2.gz BKCIJZXTCTXEPH-UHFFFAOYSA-N 0 0 400.551 2.788 40 0 HFABRN CCCc1ccc(OCCNC(=O)CN(c2cccc(C)c2)S(C)(=O)=O)cc1 ZINC000223618233 568553500 /nfs/dbraw/zinc/55/35/00/568553500.db2.gz IRGCGQYCLUDWEX-UHFFFAOYSA-N 0 0 404.532 2.909 40 0 HFABRN CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1C[C@@H]1CCCO1 ZINC000223646980 568554760 /nfs/dbraw/zinc/55/47/60/568554760.db2.gz YQGGABYEJPBZPW-RYGJVYDSSA-N 0 0 414.531 2.598 40 0 HFABRN COc1ccc(OC)c(N(CC(=O)NC(C)(C)CC(C)(C)C)S(C)(=O)=O)c1 ZINC000223656528 568555184 /nfs/dbraw/zinc/55/51/84/568555184.db2.gz INCJQAGTALQIGO-UHFFFAOYSA-N 0 0 400.541 2.801 40 0 HFABRN COc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1C ZINC000223669691 568555586 /nfs/dbraw/zinc/55/55/86/568555586.db2.gz LGVNICWHWDDUPQ-UHFFFAOYSA-N 0 0 418.515 2.596 40 0 HFABRN COc1ccc(C)cc1N(CC(=O)NCCOc1ccc(C)cc1C)S(C)(=O)=O ZINC000223674174 568555886 /nfs/dbraw/zinc/55/58/86/568555886.db2.gz WYVFKMGFBWYYOL-UHFFFAOYSA-N 0 0 420.531 2.582 40 0 HFABRN 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CN(C)C(=O)c1cnn2c1nccc2[C@@H]1CCCN1C(=O)c1cnc2ccccc2c1 ZINC000257343933 568817154 /nfs/dbraw/zinc/81/71/54/568817154.db2.gz ZUZUDWHREGNVQT-IBGZPJMESA-N 0 0 414.469 2.957 40 0 HFABRN CCOC[C@@]1(C(N)=S)[C@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)CC ZINC000218210292 568836452 /nfs/dbraw/zinc/83/64/52/568836452.db2.gz RRMBRLROKVSAQD-VNHYZAJKSA-N 0 0 406.367 2.659 40 0 HFABRN CCOC(=O)C1(C(=O)OCC)[C@H](S(=O)(=O)c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000218366428 568839038 /nfs/dbraw/zinc/83/90/38/568839038.db2.gz AIZMOVQHRQGLNU-QZTJIDSGSA-N 0 0 420.458 2.878 40 0 HFABRN Cc1ncsc1CN1CC[C@@]2(C1)CN(C(C)C)S(=O)(=O)c1ccccc1O2 ZINC000306123030 568886077 /nfs/dbraw/zinc/88/60/77/568886077.db2.gz ACVHDKCSEFGEAC-LJQANCHMSA-N 0 0 407.561 2.888 40 0 HFABRN Cc1ccccc1C(=O)N1C[C@@H]2Cc3nnc(C(=O)Nc4cccc(F)c4)n3C[C@H]2C1 ZINC000306123603 568886753 /nfs/dbraw/zinc/88/67/53/568886753.db2.gz ARHNCYMJNIGMOV-JKSUJKDBSA-N 0 0 419.460 2.922 40 0 HFABRN Cc1ccc(S(=O)(=O)N2CCC[C@@]3(CN(Cc4cccnc4)CCO3)CC2)cc1 ZINC000306123949 568886980 /nfs/dbraw/zinc/88/69/80/568886980.db2.gz BBEFFULGKRQKPZ-QFIPXVFZSA-N 0 0 415.559 2.836 40 0 HFABRN Cc1ccc(S(=O)(=O)N2CC3(C2)OCC[C@@H]3CCNC(=O)c2ccsc2)cc1 ZINC000306123898 568887059 /nfs/dbraw/zinc/88/70/59/568887059.db2.gz AZZFMCCEYNRSRS-KRWDZBQOSA-N 0 0 420.556 2.656 40 0 HFABRN Cc1nc(C(=O)N2C[C@@H](c3ccnn3C(C)C)[C@]3(C2)CCCN(C)C3=O)cs1 ZINC000306124617 568887618 /nfs/dbraw/zinc/88/76/18/568887618.db2.gz BUQAYMHSBURPOG-MGPUTAFESA-N 0 0 401.536 2.707 40 0 HFABRN COc1ccc(-c2cnc3c(N4CCN(Cc5nccs5)CC4)nccn23)cn1 ZINC000306125831 568888622 /nfs/dbraw/zinc/88/86/22/568888622.db2.gz DDEFCOJUISTYEG-UHFFFAOYSA-N 0 0 407.503 2.579 40 0 HFABRN Cc1cc(CN2CCC[C@]3(CN(Cc4cnsc4)CC(F)(F)C3)C2=O)n(C)n1 ZINC000306127216 568890078 /nfs/dbraw/zinc/89/00/78/568890078.db2.gz FRYHXDWMTRTFDD-SFHVURJKSA-N 0 0 409.506 2.835 40 0 HFABRN Cc1ccccc1CC(=O)N1CCC2(CC1)CN(C)C(=O)c1cn(CC3CC3)nc12 ZINC000306131436 568893582 /nfs/dbraw/zinc/89/35/82/568893582.db2.gz KEIXHDAJHIJKPY-UHFFFAOYSA-N 0 0 406.530 2.790 40 0 HFABRN CC(C)N1CC2(CCN(C(=O)c3ccco3)CC2)COc2ccccc2S1(=O)=O ZINC000306132546 568894946 /nfs/dbraw/zinc/89/49/46/568894946.db2.gz LLVGKGQNVSBLTL-UHFFFAOYSA-N 0 0 418.515 2.994 40 0 HFABRN Cn1nccc1C(=O)N1CCN(C)[C@@H](c2ncn3cc(-c4ccccc4)ccc23)C1 ZINC000306133136 568895287 /nfs/dbraw/zinc/89/52/87/568895287.db2.gz MCZKCEQCEIEWDL-OAQYLSRUSA-N 0 0 400.486 2.864 40 0 HFABRN COc1ncccc1CN1CC[C@@]2(C1)CN(C(C)C)S(=O)(=O)c1ccccc1O2 ZINC000306133972 568896028 /nfs/dbraw/zinc/89/60/28/568896028.db2.gz NAKOWOKKQVTWDX-OAQYLSRUSA-N 0 0 417.531 2.526 40 0 HFABRN CN1Cc2nnc(-c3ccc(F)cc3)n2C2(CCN(C(=O)Cc3ccco3)CC2)C1 ZINC000306136105 568897996 /nfs/dbraw/zinc/89/79/96/568897996.db2.gz PJLWBYYFUZVXLG-UHFFFAOYSA-N 0 0 409.465 2.683 40 0 HFABRN Cn1cc(-c2ccc3c(c2)[C@H]2CN(Cc4ccc5c(c4)OCO5)C[C@H]2S3(=O)=O)cn1 ZINC000306136632 568898409 /nfs/dbraw/zinc/89/84/09/568898409.db2.gz PYSLOCGOAYZBJN-XMSQKQJNSA-N 0 0 423.494 2.571 40 0 HFABRN CC(=O)N1CCC2(CC1)COc1ccccc1S(=O)(=O)N(CC1CCCC1)C2 ZINC000306136509 568898435 /nfs/dbraw/zinc/89/84/35/568898435.db2.gz PVOCRMAIUWIPPX-UHFFFAOYSA-N 0 0 406.548 2.889 40 0 HFABRN Cc1ccccc1C(=O)N1C[C@@H]2Cc3nnc(C(=O)Nc4ccccc4)n3C[C@H]2C1 ZINC000306137813 568899614 /nfs/dbraw/zinc/89/96/14/568899614.db2.gz RHGVLGFOUIPJOE-DLBZAZTESA-N 0 0 401.470 2.783 40 0 HFABRN Cc1cccc(C(=O)N2C[C@H]3Cc4nnc(C(=O)Nc5cccc(F)c5)n4C[C@@H]3C2)c1 ZINC000306138383 568900291 /nfs/dbraw/zinc/90/02/91/568900291.db2.gz RWDLVDBPZUGCPG-SJORKVTESA-N 0 0 419.460 2.922 40 0 HFABRN CC(C)n1cc2c(n1)C1(CCN(C(=O)N(C)C)CC1)CN(C(=O)c1ccncc1)C2 ZINC000306140963 568902899 /nfs/dbraw/zinc/90/28/99/568902899.db2.gz VHSLWJSONGWQKD-UHFFFAOYSA-N 0 0 410.522 2.530 40 0 HFABRN O=C(NCc1ccccc1)c1nnc2n1CC[C@H]1CN(C(=O)C3CCCCC3)C[C@H]21 ZINC000306141803 568903245 /nfs/dbraw/zinc/90/32/45/568903245.db2.gz WGUVIRWIAGACIH-OALUTQOASA-N 0 0 407.518 2.734 40 0 HFABRN Cc1cccc(C(=O)N2CC3(C2)[C@@H](COCc2cccc(C)n2)CCS3(=O)=O)c1 ZINC000306143360 568904867 /nfs/dbraw/zinc/90/48/67/568904867.db2.gz 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biogenic HFABRN O=S(=O)(CCc1ccccc1)NCCN1CCN(c2ccc(Cl)cc2)CC1 ZINC000011900840 568941617 /nfs/dbraw/zinc/94/16/17/568941617.db2.gz AQHCRMYGWMVRSL-UHFFFAOYSA-N 0 0 407.967 2.624 40 0 HFABRN COc1ccc(Nc2cc(C(F)(F)F)nc(N[C@@H](CO)C(C)C)n2)cc1OC ZINC000328993037 568971667 /nfs/dbraw/zinc/97/16/67/568971667.db2.gz IXWWOOADVODCOE-LBPRGKRZSA-N 0 0 400.401 2.529 40 0 HFABRN Cc1ccc(Nc2cc(-c3ccncc3)nc(N[C@H](C)CO)n2)c(Br)c1 ZINC000329024866 568973255 /nfs/dbraw/zinc/97/32/55/568973255.db2.gz PCLVCKNYTHBASN-CYBMUJFWSA-N 0 0 414.307 2.990 40 0 HFABRN COc1ccc(Nc2cc(C(F)(F)F)nc(N[C@H](C)CO)n2)cc1C(F)(F)F ZINC000329051932 568974662 /nfs/dbraw/zinc/97/46/62/568974662.db2.gz UZTKLQZGNVDEMF-MRVPVSSYSA-N 0 0 410.318 2.903 40 0 HFABRN C[C@H](CO)Nc1nc(Nc2cccc(OC(F)(F)F)c2)cc(-c2cccnc2)n1 ZINC000329070013 568975762 /nfs/dbraw/zinc/97/57/62/568975762.db2.gz ZCSAPRKBJRDQPH-GFCCVEGCSA-N 0 0 405.380 2.817 40 0 HFABRN N=C1NC(=O)/C(=C\c2cccc(OC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)c2)S1 ZINC000003030897 569024519 /nfs/dbraw/zinc/02/45/19/569024519.db2.gz BMULNYKDQFFHLT-LHHJGKSTSA-N 0 0 414.355 2.861 40 0 HFABRN [NH3+][C@@H]1CN(c2c(F)cc3c(=O)c(C(=O)[O-])cn([C@H]4C[C@H]4F)c3c2Cl)CC12CC2 ZINC000026992204 569025677 /nfs/dbraw/zinc/02/56/77/569025677.db2.gz PNUZDKCDAWUEGK-KGYLQXTDSA-N 0 0 409.820 2.703 40 0 in-vitro HFABRN Cc1ccc(NC(=S)Nc2ccc(C(=O)N[C@H]3CCS(=O)(=O)C3)cc2)cc1 ZINC000575420005 569025930 /nfs/dbraw/zinc/02/59/30/569025930.db2.gz DAUGDFSEUCCZAP-KRWDZBQOSA-N 0 0 403.529 2.721 40 0 HFABRN CC[C@H](C)N([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000575425833 569027004 /nfs/dbraw/zinc/02/70/04/569027004.db2.gz XRZFHRFHHXFHKR-QWRGUYRKSA-N 0 0 400.349 2.970 40 0 HFABRN CCOC(=O)[C@@H]1CC(=O)N(c2ccccc2N2CCN(C(=O)c3ccccc3)CC2)C1 ZINC000057354570 569063754 /nfs/dbraw/zinc/06/37/54/569063754.db2.gz OOXKSOYTDRQLBV-LJQANCHMSA-N 0 0 421.497 2.565 40 0 HFABRN Nc1cc(NC(=O)c2ccccc2I)ccc1N1CCOCC1 ZINC000226266906 569278902 /nfs/dbraw/zinc/27/89/02/569278902.db2.gz DCGCYOLUANRTHM-UHFFFAOYSA-N 0 0 423.254 2.962 40 0 HFABRN CCCC[C@]1(C(=O)OC)N[C@H](c2ccc(O)cc2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 ZINC000245230031 569313805 /nfs/dbraw/zinc/31/38/05/569313805.db2.gz KKYRICWKTWJNLC-ZSTWQFLISA-N 0 0 422.481 2.944 40 0 HFABRN CCS(=O)(=O)N1C[C@H](C(=O)N[C@H](C)CCc2ccccc2)Oc2ccccc21 ZINC000248162443 569316599 /nfs/dbraw/zinc/31/65/99/569316599.db2.gz HVIMQYOVWBBISL-OXQOHEQNSA-N 0 0 402.516 2.741 40 0 HFABRN CC(=O)Nc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cccc(C)c3C)C2)cc1 ZINC000005934821 569329147 /nfs/dbraw/zinc/32/91/47/569329147.db2.gz KDXHLMPVDBZOTN-KRWDZBQOSA-N 0 0 423.469 2.797 40 0 HFABRN COc1ccc(C)cc1S(=O)(=O)N(CC(N)=O)c1ccc(Cl)c(Cl)c1 ZINC000006203910 569329836 /nfs/dbraw/zinc/32/98/36/569329836.db2.gz WZWZUNBMZXXEGQ-UHFFFAOYSA-N 0 0 403.287 2.991 40 0 HFABRN Cc1ccc(CNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000006204473 569329869 /nfs/dbraw/zinc/32/98/69/569329869.db2.gz ORSNXSDOSRDKGO-CYBMUJFWSA-N 0 0 411.321 2.741 40 0 HFABRN Cc1cccc(C(=O)N[C@H](C)c2nnc(SCC(=O)NC3CCCC3)n2C)c1 ZINC000006302294 569330487 /nfs/dbraw/zinc/33/04/87/569330487.db2.gz OOBYHVOGBSMJRQ-CQSZACIVSA-N 0 0 401.536 2.765 40 0 HFABRN CCN1CCN(C(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000006325876 569330958 /nfs/dbraw/zinc/33/09/58/569330958.db2.gz HJKVVWYGNZFWRL-UHFFFAOYSA-N 0 0 415.559 2.663 40 0 HFABRN Cc1ccc(NC(=O)Cc2nnc(SCC(=O)NCc3ccccc3)n2C)cc1 ZINC000006476930 569332744 /nfs/dbraw/zinc/33/27/44/569332744.db2.gz JITLQMPEWOXTLP-UHFFFAOYSA-N 0 0 409.515 2.713 40 0 HFABRN CCN(CC)C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 ZINC000006593979 569333618 /nfs/dbraw/zinc/33/36/18/569333618.db2.gz FJOOZHHXSKPYIJ-CYBMUJFWSA-N 0 0 403.342 2.718 40 0 HFABRN O=C(Oc1ccc(N2C(=O)CCC2=O)cc1)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 ZINC000007928559 569338499 /nfs/dbraw/zinc/33/84/99/569338499.db2.gz UPTOMEREHLNHDM-CYBMUJFWSA-N 0 0 412.829 2.952 40 0 HFABRN CCc1cccc(CC)c1N1C[C@H](C(=O)OCN2C(=O)c3ccccc3C2=O)CC1=O ZINC000007928599 569338532 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40 0 HFABRN O=C(CSc1ccc(-c2ccccc2)nn1)N1CCN(C(=O)c2ccco2)CC1 ZINC000035314349 557689877 /nfs/dbraw/zinc/68/98/77/557689877.db2.gz YDGISCMFZAWBGQ-UHFFFAOYSA-N 0 0 408.483 2.813 40 0 HFABRN Cc1ccc(OCCCC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 ZINC000006454257 557703292 /nfs/dbraw/zinc/70/32/92/557703292.db2.gz SLJARLYOILHSNT-UHFFFAOYSA-N 0 0 416.543 2.996 40 0 HFABRN CN1CCN(C(=O)c2ccc([C@H]3SCC(=O)N3CCc3ccccc3)cc2)CC1 ZINC000006490423 557705208 /nfs/dbraw/zinc/70/52/08/557705208.db2.gz CHQBSSHPBRUGMB-HSZRJFAPSA-N 0 0 409.555 2.891 40 0 HFABRN O[C@@H](c1ccccc1)[C@@]1(Cn2cncn2)Oc2ccc(Br)cc2[C@H]1O ZINC000006597977 557709719 /nfs/dbraw/zinc/70/97/19/557709719.db2.gz PUFULJXDVNELAP-RCCFBDPRSA-N 0 0 402.248 2.639 40 0 HFABRN C[C@@H](NC(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O)c1ccccc1 ZINC000408705022 557730566 /nfs/dbraw/zinc/73/05/66/557730566.db2.gz XEYGYZIEUKTCKU-OAHLLOKOSA-N 0 0 404.488 2.839 40 0 HFABRN CS(=O)(=O)N(CCCC(=O)Nc1c(F)cccc1F)c1ccc2c(c1)OCO2 ZINC000408703781 557730783 /nfs/dbraw/zinc/73/07/83/557730783.db2.gz HAJIJZWWYAZDAB-UHFFFAOYSA-N 0 0 412.414 2.878 40 0 HFABRN Cc1ccccc1CNC(=O)c1ccccc1NC(=O)C(=O)NCCCOC(C)C ZINC000408708083 557734305 /nfs/dbraw/zinc/73/43/05/557734305.db2.gz GQNFSPJSHFQMGJ-UHFFFAOYSA-N 0 0 411.502 2.795 40 0 HFABRN Cc1ccc(-c2nnc(CN(C)C(=O)CCCN3C(=O)[C@H]4CCCC[C@@H]4C3=O)o2)cc1 ZINC000408714453 557753560 /nfs/dbraw/zinc/75/35/60/557753560.db2.gz RDADZIIOUPBUDT-ROUUACIJSA-N 0 0 424.501 2.959 40 0 HFABRN COc1ccc(S(=O)(=O)Nc2cccc(N3CCCC3=O)c2)cc1NC(C)=O ZINC000007726752 557757775 /nfs/dbraw/zinc/75/77/75/557757775.db2.gz QDUDDGBDHOAHME-UHFFFAOYSA-N 0 0 403.460 2.581 40 0 HFABRN CCCNC(=O)c1ccccc1NC(=O)[C@@H](C)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000007872089 557765957 /nfs/dbraw/zinc/76/59/57/557765957.db2.gz FFVSSUBIFQTRHN-CQSZACIVSA-N 0 0 421.494 2.759 40 0 HFABRN CCCNC(=O)c1ccccc1NC(=O)[C@H](C)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000007872090 557766039 /nfs/dbraw/zinc/76/60/39/557766039.db2.gz FFVSSUBIFQTRHN-AWEZNQCLSA-N 0 0 421.494 2.759 40 0 HFABRN COc1ccc(OC)c([C@@H](C)NS(=O)(=O)c2ccc(OC)c(NC(C)=O)c2)c1 ZINC000008059109 557771653 /nfs/dbraw/zinc/77/16/53/557771653.db2.gz PZOVFJQGUKAPTD-GFCCVEGCSA-N 0 0 408.476 2.710 40 0 HFABRN COc1ccc(S(=O)(=O)N(CC(=O)N2CCCC2)Cc2ccccc2)c(OC)c1 ZINC000408724334 557775290 /nfs/dbraw/zinc/77/52/90/557775290.db2.gz BPCRWGQNNVBBOS-UHFFFAOYSA-N 0 0 418.515 2.517 40 0 HFABRN Nn1c(SCC(=O)Nc2ccccc2Br)nnc1-c1cccnc1 ZINC000008283215 557779767 /nfs/dbraw/zinc/77/97/67/557779767.db2.gz ZPBROPBORIEJDZ-UHFFFAOYSA-N 0 0 405.281 2.547 40 0 HFABRN COc1ccc(OC)c([C@@H](C)NC(=O)CN(c2ccccc2C)S(C)(=O)=O)c1 ZINC000008355888 557783253 /nfs/dbraw/zinc/78/32/53/557783253.db2.gz UTSCCFAOUGWLTM-OAHLLOKOSA-N 0 0 406.504 2.656 40 0 HFABRN COc1ccc(OC)c(NC(=O)c2ccc(OC)c(S(=O)(=O)NC(C)C)c2)c1 ZINC000008475905 557792762 /nfs/dbraw/zinc/79/27/62/557792762.db2.gz LJOWAUFWURAUDE-UHFFFAOYSA-N 0 0 408.476 2.651 40 0 HFABRN COC(=O)C1=C(NCCc2ccccc2)C[C@](C)(O)[C@@H](C(=O)OC)[C@@H]1c1ccccc1 ZINC000036556624 557841753 /nfs/dbraw/zinc/84/17/53/557841753.db2.gz DRCXGILGRFLRJR-LFAGZIFBSA-N 0 0 423.509 2.974 40 0 HFABRN CC[C@@H](C)[C@@H](NC(=O)N1CCc2[nH]cnc2[C@@H]1c1cccc(OC)c1)C(=O)OC ZINC000036589939 557849344 /nfs/dbraw/zinc/84/93/44/557849344.db2.gz PLYWYHNJVHERHO-XVSDVWIESA-N 0 0 400.479 2.663 40 0 HFABRN COc1cc([C@H]2[C@@H](C(=O)Nc3ccccc3OC)[C@H](C)Nc3ncnn32)ccc1O ZINC000036701651 557849809 /nfs/dbraw/zinc/84/98/09/557849809.db2.gz UCEFPRRCMWVIGJ-NXXSPTCGSA-N 0 0 409.446 2.659 40 0 HFABRN COCC(=O)N1CCCC[C@@H]1c1nc2c(c(C)n1)CC(=O)N2CCc1ccccc1 ZINC000019739955 558260931 /nfs/dbraw/zinc/26/09/31/558260931.db2.gz VXONRTRPZMPKHB-LJQANCHMSA-N 0 0 408.502 2.617 40 0 HFABRN Cc1nc([C@H]2CCCCN2CC(=O)Nc2ccc(F)cc2)nc2c1CCC(=O)N2C ZINC000019740481 558261395 /nfs/dbraw/zinc/26/13/95/558261395.db2.gz AXCDMMWUDGVCDR-GOSISDBHSA-N 0 0 411.481 2.999 40 0 HFABRN Cc1cnc(C(=O)N2CCC[C@@H]2c2nc(C)c3c(n2)N(CC(C)C)C(=O)CC3)cn1 ZINC000019740764 558261632 /nfs/dbraw/zinc/26/16/32/558261632.db2.gz WNPVFFXHLQEBHE-GOSISDBHSA-N 0 0 408.506 2.796 40 0 HFABRN Cc1cc2ncc(CN(C)C)c([C@H]3CCCN3S(=O)(=O)c3ccc(F)cc3)n2n1 ZINC000019743512 558264052 /nfs/dbraw/zinc/26/40/52/558264052.db2.gz RRHCPCPZYDSBQY-GOSISDBHSA-N 0 0 417.510 2.764 40 0 HFABRN CN(C[C@H]1COc2ccccc2O1)C(=O)Cn1cc(NC(=O)c2ccc(F)cc2)cn1 ZINC000019749440 558268841 /nfs/dbraw/zinc/26/88/41/558268841.db2.gz FVZDXAPBGHBNAF-SFHVURJKSA-N 0 0 424.432 2.573 40 0 HFABRN CC(C)c1csc(NC(=O)Cn2cc(C(=O)NCc3ccccc3)ccc2=O)n1 ZINC000019751618 558271471 /nfs/dbraw/zinc/27/14/71/558271471.db2.gz BUGUSJHIVJTMFR-UHFFFAOYSA-N 0 0 410.499 2.997 40 0 HFABRN Cc1nc([C@@H]2CCCN2C(=O)c2cnn(C)c2)ncc1C(=O)Nc1ccc(F)cc1 ZINC000019755457 558273991 /nfs/dbraw/zinc/27/39/91/558273991.db2.gz HAVFOTQHHZAXBX-SFHVURJKSA-N 0 0 408.437 2.887 40 0 HFABRN Cc1ccc(Cl)cc1NC(=O)[C@H]1CC(=O)Nc2nc(N3CCCC3)nc(N)c21 ZINC000019820001 558290334 /nfs/dbraw/zinc/29/03/34/558290334.db2.gz IIBJOHNQBSMZAV-LBPRGKRZSA-N 0 0 400.870 2.685 40 0 HFABRN CCc1nnc(NC(=O)CSc2nnc(Cc3ccc(OC)c(OC)c3)o2)s1 ZINC000019929191 558309348 /nfs/dbraw/zinc/30/93/48/558309348.db2.gz PGDJFBHJIHFHLP-UHFFFAOYSA-N 0 0 421.504 2.822 40 0 HFABRN CCN(CC(=O)N1CCc2ccccc2C1)S(=O)(=O)c1ccc(OC)c(C)c1 ZINC000019929854 558309718 /nfs/dbraw/zinc/30/97/18/558309718.db2.gz OKIGUJZWFGPZEO-UHFFFAOYSA-N 0 0 402.516 2.599 40 0 HFABRN COc1ccc(OC[C@H](C)NC(=O)c2ccc(NS(C)(=O)=O)cc2Cl)cc1 ZINC000019932202 558310727 /nfs/dbraw/zinc/31/07/27/558310727.db2.gz YMUJLLXGPSBPSO-LBPRGKRZSA-N 0 0 412.895 2.917 40 0 HFABRN CC(=O)Nc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCCC3)c2)cc1 ZINC000019935685 558311995 /nfs/dbraw/zinc/31/19/95/558311995.db2.gz MHLVJHGLUMPVQF-UHFFFAOYSA-N 0 0 405.451 2.821 40 0 HFABRN CCCCOC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)cc1 ZINC000019936616 558312294 /nfs/dbraw/zinc/31/22/94/558312294.db2.gz GANBPUGBIUPGPS-UHFFFAOYSA-N 0 0 404.444 2.889 40 0 HFABRN COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)cc1C ZINC000020008468 558318779 /nfs/dbraw/zinc/31/87/79/558318779.db2.gz DRDOMNGCZWJQSF-SFHVURJKSA-N 0 0 404.532 2.808 40 0 HFABRN CCOc1ccc(S(=O)(=O)N(CC)CC(=O)N[C@@H](C)c2ccccc2OC)cc1 ZINC000020013885 558319335 /nfs/dbraw/zinc/31/93/35/558319335.db2.gz QEXLCLNDQQIWID-INIZCTEOSA-N 0 0 420.531 2.982 40 0 HFABRN CCN(CC(=O)N[C@H](C)c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000020014021 558319604 /nfs/dbraw/zinc/31/96/04/558319604.db2.gz GJCZRAVOPBCRAX-MRXNPFEDSA-N 0 0 420.531 2.900 40 0 HFABRN CCN(CC(=O)N[C@@H](C)c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(F)cc1 ZINC000020014845 558319744 /nfs/dbraw/zinc/31/97/44/558319744.db2.gz XUZLKBNQYBLRNG-AWEZNQCLSA-N 0 0 424.494 2.731 40 0 HFABRN COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)C(=O)Nc1ccc(F)c(F)c1 ZINC000020016426 558320192 /nfs/dbraw/zinc/32/01/92/558320192.db2.gz ISMQLFGEHBOMHS-VIFPVBQESA-N 0 0 404.822 2.932 40 0 HFABRN CCn1ncc(S(=O)(=O)N2[C@@H]3CC[C@@H](C3)[C@@H]2COc2cccc(OC)c2)c1C ZINC000012085310 558321177 /nfs/dbraw/zinc/32/11/77/558321177.db2.gz HTWLVYNNBKAHJJ-FCEWJHQRSA-N 0 0 405.520 2.841 40 0 HFABRN CCCNS(=O)(=O)c1ccc(OCC(=O)N[C@@H](C)c2ccc(OC)cc2)c(C)c1 ZINC000020022164 558321584 /nfs/dbraw/zinc/32/15/84/558321584.db2.gz HOQWABKFOPVIQX-INIZCTEOSA-N 0 0 420.531 2.948 40 0 HFABRN COc1ccc([C@@H](C)NC(=O)c2ccc(OC)c(S(=O)(=O)NC(C)C)c2)cc1 ZINC000020024694 558322115 /nfs/dbraw/zinc/32/21/15/558322115.db2.gz ODWFGHBASNFVDW-CQSZACIVSA-N 0 0 406.504 2.882 40 0 HFABRN CCC(=O)Nc1cc(S(=O)(=O)NCc2ccc(OC)c(OC)c2)ccc1OC ZINC000020025260 558322557 /nfs/dbraw/zinc/32/25/57/558322557.db2.gz YRHVFUCKYZJCKA-UHFFFAOYSA-N 0 0 408.476 2.539 40 0 HFABRN CC[C@H](Cn1nc(-c2cccs2)ccc1=O)NC(=O)Cn1cnc2ccccc21 ZINC000012117637 558329156 /nfs/dbraw/zinc/32/91/56/558329156.db2.gz FPKOOLTVAGRDIP-OAHLLOKOSA-N 0 0 407.499 2.917 40 0 HFABRN O=C(c1cccc(-n2cnnn2)c1)N1CCC(c2ncncc2-c2ccncc2)CC1 ZINC000012118692 558330112 /nfs/dbraw/zinc/33/01/12/558330112.db2.gz SQHSYGMJUVKMCI-UHFFFAOYSA-N 0 0 412.457 2.534 40 0 HFABRN CN1[C@H](C(=O)Nc2ccccc2C(F)(F)F)C[C@H](c2cccs2)NS1(=O)=O ZINC000012129970 558332238 /nfs/dbraw/zinc/33/22/38/558332238.db2.gz UYTQDACULFYNTH-OLZOCXBDSA-N 0 0 419.450 2.985 40 0 HFABRN Cc1cccc(C)c1N(CC(=O)NCc1ccccc1-n1ccnc1)S(C)(=O)=O ZINC000020106521 558333671 /nfs/dbraw/zinc/33/36/71/558333671.db2.gz YRRIIGAHMYYLRA-UHFFFAOYSA-N 0 0 412.515 2.572 40 0 HFABRN Cc1ccc(S(=O)(=O)C2(C(=O)N[C@@H](C)Cn3nnc4ccccc43)CC2)cc1C ZINC000012141934 558334753 /nfs/dbraw/zinc/33/47/53/558334753.db2.gz HIQLYGFUIIDCNU-INIZCTEOSA-N 0 0 412.515 2.559 40 0 HFABRN COc1ccccc1C1(NC(=O)[C@H]2[C@H]3C=C[C@]4(CN(C(C)C)C(=O)[C@@H]24)O3)CCCC1 ZINC000012143078 558335193 /nfs/dbraw/zinc/33/51/93/558335193.db2.gz PTQSMQJLJJPABY-ZBNTXBBCSA-N 0 0 410.514 2.771 40 0 HFABRN COc1ccnc(Cn2nc3c4c5c(sc4ncn3c2=O)C[C@@H](C)CC5)c1OC ZINC000012143609 558335732 /nfs/dbraw/zinc/33/57/32/558335732.db2.gz HGXYRBAIYCRMCF-NSHDSACASA-N 0 0 411.487 2.691 40 0 HFABRN CCc1ccc(N(CC(=O)NCc2ccc(-n3ccnc3)cc2)S(C)(=O)=O)cc1 ZINC000020111065 558335847 /nfs/dbraw/zinc/33/58/47/558335847.db2.gz SFIOIAFMCBLPBQ-UHFFFAOYSA-N 0 0 412.515 2.517 40 0 HFABRN Cc1cc(CN2CCOCC2)oc1C(=O)N1CCN(Cc2ccco2)C[C@@H]1C(C)C ZINC000012156428 558340498 /nfs/dbraw/zinc/34/04/98/558340498.db2.gz MHNBBRQZCVIMCT-OAQYLSRUSA-N 0 0 415.534 2.996 40 0 HFABRN COc1cc2nc3n(c(=O)c2cc1OC)CCN(Cc1cc(C)c(O)c(C)c1)CC3 ZINC000012185617 558344910 /nfs/dbraw/zinc/34/49/10/558344910.db2.gz GDIZFPVQJPNZDE-UHFFFAOYSA-N 0 0 409.486 2.794 40 0 HFABRN Cc1ccc(SCCNC(=O)c2ccc(N(C)S(=O)(=O)N(C)C)cc2)cc1 ZINC000020245587 558351426 /nfs/dbraw/zinc/35/14/26/558351426.db2.gz KXUBAJWDXQWUEU-UHFFFAOYSA-N 0 0 407.561 2.760 40 0 HFABRN CCOc1ccc(CC(=O)N2CCC(c3cc(=O)[nH]c(-c4cnccn4)n3)CC2)cc1 ZINC000012275709 558363916 /nfs/dbraw/zinc/36/39/16/558363916.db2.gz OEESQAPSGZVSHR-UHFFFAOYSA-N 0 0 419.485 2.987 40 0 HFABRN COc1ccccc1N1CCN(C(=O)c2ccc(NS(C)(=O)=O)c(Cl)c2)CC1 ZINC000020450223 558365120 /nfs/dbraw/zinc/36/51/20/558365120.db2.gz AYJWYXKEFGVIBP-UHFFFAOYSA-N 0 0 423.922 2.683 40 0 HFABRN CCS(=O)(=O)N(C)c1ccc(C(=O)N[C@H](C)c2ccc(OC)c(OC)c2)cc1 ZINC000020453003 558367172 /nfs/dbraw/zinc/36/71/72/558367172.db2.gz OPWIBTNBMQJXFF-CQSZACIVSA-N 0 0 406.504 2.981 40 0 HFABRN CS(=O)(=O)Nc1ccc(C(=O)NCc2ccccc2-n2ccnc2)cc1Cl ZINC000020453719 558367669 /nfs/dbraw/zinc/36/76/69/558367669.db2.gz OMYJYKQMIVHTEY-UHFFFAOYSA-N 0 0 404.879 2.827 40 0 HFABRN Cc1ccc([C@@H](C)NC(=O)COc2ccc(CN(C)S(C)(=O)=O)cc2)c(C)c1 ZINC000020456025 558369543 /nfs/dbraw/zinc/36/95/43/558369543.db2.gz YHVZWIWRJJZXKK-QGZVFWFLSA-N 0 0 404.532 2.951 40 0 HFABRN CS(=O)(=O)N(CC(=O)NCc1ccccc1-n1ccnc1)c1cccc(Cl)c1 ZINC000020456743 558370199 /nfs/dbraw/zinc/37/01/99/558370199.db2.gz DHMOGGJIGJRDRN-UHFFFAOYSA-N 0 0 418.906 2.608 40 0 HFABRN Cc1nccn1-c1ccccc1CNC(=O)[C@H](C)N(c1ccccc1)S(C)(=O)=O ZINC000020458644 558371492 /nfs/dbraw/zinc/37/14/92/558371492.db2.gz PATYTPXQBYZIJU-INIZCTEOSA-N 0 0 412.515 2.652 40 0 HFABRN COc1ccc([C@H](C)NC(=O)CN(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1OC ZINC000020482969 558375514 /nfs/dbraw/zinc/37/55/14/558375514.db2.gz PJLGNYMURCQGNV-INIZCTEOSA-N 0 0 420.531 2.964 40 0 HFABRN CCOc1ccc([C@H](C)NC(=O)c2ccc(N(C)S(=O)(=O)N(C)C)cc2)cc1 ZINC000020483903 558376016 /nfs/dbraw/zinc/37/60/16/558376016.db2.gz AFRRESFZNQKPPN-HNNXBMFYSA-N 0 0 405.520 2.819 40 0 HFABRN CCOc1ccc([C@@H](C)NC(=O)COc2ccc(CN(C)S(C)(=O)=O)cc2)cc1 ZINC000020494652 558379899 /nfs/dbraw/zinc/37/98/99/558379899.db2.gz NINCUIWCSPTCDO-MRXNPFEDSA-N 0 0 420.531 2.733 40 0 HFABRN CCOc1ccc(-c2c3c(nc4nc(N5CCOCC5)[nH]c(=O)c42)CCCC3=O)cc1 ZINC000020673651 558399019 /nfs/dbraw/zinc/39/90/19/558399019.db2.gz ZWMACSSYHDWJAL-UHFFFAOYSA-N 0 0 420.469 2.739 40 0 HFABRN Cc1cccc(OCCNC(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)c1 ZINC000021636698 558444083 /nfs/dbraw/zinc/44/40/83/558444083.db2.gz QLANLFWCZVLVEW-INIZCTEOSA-N 0 0 408.545 2.652 40 0 HFABRN COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCCC2)cc1C ZINC000022247165 558472489 /nfs/dbraw/zinc/47/24/89/558472489.db2.gz XPLGLCKLCVJYCX-IBGZPJMESA-N 0 0 402.516 2.516 40 0 HFABRN CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CCCC2)cc1 ZINC000022247661 558472547 /nfs/dbraw/zinc/47/25/47/558472547.db2.gz GHHJBIQESMGMAQ-HXUWFJFHSA-N 0 0 402.516 2.597 40 0 HFABRN COc1cc(C(=O)Nc2ccc(F)cc2F)c(N(C)S(C)(=O)=O)cc1OC ZINC000022251290 558473124 /nfs/dbraw/zinc/47/31/24/558473124.db2.gz XHYTWIFOLUNXIG-UHFFFAOYSA-N 0 0 400.403 2.630 40 0 HFABRN COc1ccc2c(c1)[C@H](NC(=O)CN(c1ccccc1)S(C)(=O)=O)CC(C)(C)O2 ZINC000022326647 558478365 /nfs/dbraw/zinc/47/83/65/558478365.db2.gz JCFIGBGHMCTFTP-GOSISDBHSA-N 0 0 418.515 2.880 40 0 HFABRN CCOc1ccc(CNC(=O)CN(c2ccc(C)cc2)S(C)(=O)=O)cc1OCC ZINC000022327724 558478842 /nfs/dbraw/zinc/47/88/42/558478842.db2.gz AKKIQOFEYDNWPE-UHFFFAOYSA-N 0 0 420.531 2.875 40 0 HFABRN COc1cccc(N(CC(=O)NCCCc2ccccc2Cl)S(C)(=O)=O)c1 ZINC000022332158 558480112 /nfs/dbraw/zinc/48/01/12/558480112.db2.gz IGHDPXXOLZDTOK-UHFFFAOYSA-N 0 0 410.923 2.864 40 0 HFABRN CCOc1ccccc1N(CC(=O)N[C@H](C)COc1ccc(C)cc1)S(C)(=O)=O ZINC000022332978 558480474 /nfs/dbraw/zinc/48/04/74/558480474.db2.gz ZOFMSKYPFRDOHW-QGZVFWFLSA-N 0 0 420.531 2.743 40 0 HFABRN CCOc1cccc(N(CC(=O)Nc2cc(OC)ccc2OC)S(C)(=O)=O)c1 ZINC000022382288 558484888 /nfs/dbraw/zinc/48/48/88/558484888.db2.gz PKBRTVPUCKBDBR-UHFFFAOYSA-N 0 0 408.476 2.507 40 0 HFABRN COc1ccc(CNC(=O)CN(c2ccc(OC(C)C)cc2)S(C)(=O)=O)cc1 ZINC000022385759 558485268 /nfs/dbraw/zinc/48/52/68/558485268.db2.gz QYNPPANWXPLASP-UHFFFAOYSA-N 0 0 406.504 2.565 40 0 HFABRN Cc1cc(C)c(N(CC(=O)Nc2ccc3c(c2)OCCO3)S(C)(=O)=O)c(C)c1 ZINC000022389911 558486002 /nfs/dbraw/zinc/48/60/02/558486002.db2.gz GJXQASSXYXVGCJ-UHFFFAOYSA-N 0 0 404.488 2.788 40 0 HFABRN CCOc1cccc(N(CC(=O)NCCCc2ccccc2OC)S(C)(=O)=O)c1 ZINC000022401140 558487512 /nfs/dbraw/zinc/48/75/12/558487512.db2.gz HNSRBBBSYDZEJX-UHFFFAOYSA-N 0 0 420.531 2.609 40 0 HFABRN Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCCCC4)[nH]c(=O)c32)cc1Cl ZINC000022609955 558501382 /nfs/dbraw/zinc/50/13/82/558501382.db2.gz HZQPHQFSLYVBJH-CYBMUJFWSA-N 0 0 415.881 2.787 40 0 HFABRN CCc1ccccc1NC(=O)[C@@H]1CC(=O)Nc2nc(N3CCC(C)CC3)[nH]c(=O)c21 ZINC000022610280 558501656 /nfs/dbraw/zinc/50/16/56/558501656.db2.gz VRAUMBPVEQEHLY-OAHLLOKOSA-N 0 0 409.490 2.633 40 0 HFABRN Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCC(C)CC4)[nH]c(=O)c32)cc1C ZINC000022610288 558501731 /nfs/dbraw/zinc/50/17/31/558501731.db2.gz PCQWMGRUVAUSFC-MRXNPFEDSA-N 0 0 409.490 2.688 40 0 HFABRN COC(=O)c1ccc(C(=O)N2CCC(c3n[nH]c(=O)cc3-c3cc(C)no3)CC2)cc1 ZINC000013226322 558526522 /nfs/dbraw/zinc/52/65/22/558526522.db2.gz IQGUPTGNZHQNTM-UHFFFAOYSA-N 0 0 422.441 2.952 40 0 HFABRN COc1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cc(F)ccc2OC)C1 ZINC000013580709 558544437 /nfs/dbraw/zinc/54/44/37/558544437.db2.gz IOZJQVTZRMTLKL-CQSZACIVSA-N 0 0 422.478 2.882 40 0 HFABRN CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cc(OC)ccc2OC)ccc1OC ZINC000013581413 558544787 /nfs/dbraw/zinc/54/47/87/558544787.db2.gz NZJIAPNEAXILDA-UHFFFAOYSA-N 0 0 422.503 2.995 40 0 HFABRN CCOc1ccccc1NC(=O)CN(CC)S(=O)(=O)c1cc(F)ccc1OC ZINC000013581210 558544809 /nfs/dbraw/zinc/54/48/09/558544809.db2.gz PPMLFEUJDWHHNV-UHFFFAOYSA-N 0 0 410.467 2.882 40 0 HFABRN COc1cc(C(=O)N[C@@H](C)CCc2ccccc2)c(N(C)S(C)(=O)=O)cc1OC ZINC000013582728 558545247 /nfs/dbraw/zinc/54/52/47/558545247.db2.gz NVONOLHXRBOAQB-HNNXBMFYSA-N 0 0 420.531 2.851 40 0 HFABRN CCOc1ccc(S(=O)(=O)N(CC)CC(=O)N2CCc3ccccc3C2)cc1 ZINC000013633377 558553028 /nfs/dbraw/zinc/55/30/28/558553028.db2.gz KZNWREDMCQERTA-UHFFFAOYSA-N 0 0 402.516 2.681 40 0 HFABRN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1c2ccccc2C[C@@H]1C ZINC000013669293 558560904 /nfs/dbraw/zinc/56/09/04/558560904.db2.gz RRQCBEZGJMLWLI-INIZCTEOSA-N 0 0 400.500 2.607 40 0 HFABRN CCOC(=O)c1cccc(NC(=O)CN(c2ccc(OCC)cc2)S(C)(=O)=O)c1 ZINC000013670904 558562164 /nfs/dbraw/zinc/56/21/64/558562164.db2.gz MLBXWVDSCJWFQB-UHFFFAOYSA-N 0 0 420.487 2.667 40 0 HFABRN O=C(N[C@@H]1C[C@H]2CC[C@@H]1C2)C1CCN(S(=O)(=O)CCCc2ccccc2)CC1 ZINC000013679910 558566022 /nfs/dbraw/zinc/56/60/22/558566022.db2.gz XKMWMOZOSIKDLK-CEWLAPEOSA-N 0 0 404.576 2.966 40 0 HFABRN Cc1ccc(Cl)cc1N(CCCC(=O)NCCCn1ccnc1)S(C)(=O)=O ZINC000013679756 558566044 /nfs/dbraw/zinc/56/60/44/558566044.db2.gz PEXMENLUNMYLHE-UHFFFAOYSA-N 0 0 412.943 2.598 40 0 HFABRN COC(=O)c1ccc(Cl)c(NC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000013688647 558571136 /nfs/dbraw/zinc/57/11/36/558571136.db2.gz NGJFNHLEAIANRH-UHFFFAOYSA-N 0 0 410.879 2.694 40 0 HFABRN CC[C@@H](C(=O)NCc1ccc2c(c1)OCO2)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000013714733 558578362 /nfs/dbraw/zinc/57/83/62/558578362.db2.gz QKVXTCXSNCXMFY-INIZCTEOSA-N 0 0 424.906 2.930 40 0 HFABRN CCOC(=O)C1CCN(C(=O)[C@H](CC)N(c2ccc(C)c(C)c2)S(C)(=O)=O)CC1 ZINC000013716512 558579612 /nfs/dbraw/zinc/57/96/12/558579612.db2.gz DAPFFRAYFVTPKD-IBGZPJMESA-N 0 0 424.563 2.650 40 0 HFABRN CC[C@@H](C)n1c(C)c(C)n2c1nc1c2c(=O)n(CC(=O)c2ccccc2)c(=O)n1C ZINC000023989626 558583486 /nfs/dbraw/zinc/58/34/86/558583486.db2.gz XUTBVKPNGUDKRS-CYBMUJFWSA-N 0 0 407.474 2.620 40 0 HFABRN CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCOc3ccccc32)ccc1OC ZINC000024585849 558601871 /nfs/dbraw/zinc/60/18/71/558601871.db2.gz XMFFLUJTPFXSPC-UHFFFAOYSA-N 0 0 404.488 2.765 40 0 HFABRN COC(=O)c1cc(OC)c(OC)cc1NC(=O)CCc1ccc2c(c1)OCCO2 ZINC000024692022 558607587 /nfs/dbraw/zinc/60/75/87/558607587.db2.gz OZWXMDXLYWCUCN-UHFFFAOYSA-N 0 0 401.415 2.833 40 0 HFABRN CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000014022605 558614282 /nfs/dbraw/zinc/61/42/82/558614282.db2.gz RLPJFGRXTSHRFR-FQEVSTJZSA-N 0 0 418.515 2.812 40 0 HFABRN COc1cc([C@H]2CC(=O)N=C3NC=NN32)ccc1OCCOc1ccc(Cl)cc1 ZINC000038311017 558645977 /nfs/dbraw/zinc/64/59/77/558645977.db2.gz XXEUIRWNHGEHNI-MRXNPFEDSA-N 0 0 414.849 2.982 40 0 HFABRN COC(=O)c1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1 ZINC000014788106 558672760 /nfs/dbraw/zinc/67/27/60/558672760.db2.gz OYIIHABATBUBMO-UHFFFAOYSA-N 0 0 420.462 2.652 40 0 HFABRN CCN1C(=O)C(=Cc2cn(CC(=O)OC)c3ccc(Br)cc23)NC1=S ZINC000039556536 558684818 /nfs/dbraw/zinc/68/48/18/558684818.db2.gz ZEGOIVXYOXDDQB-MLPAPPSSSA-N 0 0 422.304 2.654 40 0 HFABRN NC(=O)Cn1cc(/C=C2/NC(=O)N(Cc3ccccc3Cl)C2=O)c2ccccc21 ZINC000015013928 558701438 /nfs/dbraw/zinc/70/14/38/558701438.db2.gz NHDSVZXDUOUDTC-RQZCQDPDSA-N 0 0 408.845 2.873 40 0 HFABRN C[C@H](Oc1ccc(Cl)cc1)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000015330655 558733911 /nfs/dbraw/zinc/73/39/11/558733911.db2.gz WFHCOHSNMRNTEM-HNNXBMFYSA-N 0 0 408.907 2.640 40 0 HFABRN COc1ccccc1CCCNC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000030754307 558736771 /nfs/dbraw/zinc/73/67/71/558736771.db2.gz MNQNPRKKRTZVQB-UHFFFAOYSA-N 0 0 422.572 2.906 40 0 HFABRN Cc1noc2nc(-c3cnn(C)c3)cc(C(=O)Nc3ccc(-n4cncn4)cc3)c12 ZINC000036619387 558737906 /nfs/dbraw/zinc/73/79/06/558737906.db2.gz LSEUDFHKOQZREP-UHFFFAOYSA-N 0 0 400.402 2.765 40 0 HFABRN CCS(=O)(=O)N1C[C@H](C(=O)NCc2ccc(OC(C)C)cc2)Oc2ccccc21 ZINC000030848628 558739536 /nfs/dbraw/zinc/73/95/36/558739536.db2.gz XPTKFFHKSPXIQZ-HXUWFJFHSA-N 0 0 418.515 2.707 40 0 HFABRN Cc1cccc(O[C@H](C)C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c1C ZINC000030849513 558739564 /nfs/dbraw/zinc/73/95/64/558739564.db2.gz DOEHAAAVLFHYRF-GOSISDBHSA-N 0 0 402.516 2.604 40 0 HFABRN COCCNC(=O)c1ccccc1NC(=O)CSc1ccc(OC)c(OC)c1 ZINC000030853662 558740561 /nfs/dbraw/zinc/74/05/61/558740561.db2.gz JPFYAALDORPKDY-UHFFFAOYSA-N 0 0 404.488 2.811 40 0 HFABRN Cc1nccn1Cc1ccc(C(=O)Nc2ccccc2C(=O)N2CCOCC2)cc1 ZINC000030939919 558745444 /nfs/dbraw/zinc/74/54/44/558745444.db2.gz DCQQKUZMIGOSOX-UHFFFAOYSA-N 0 0 404.470 2.965 40 0 HFABRN COc1ccc(NC(=O)COc2ccc(S(=O)(=O)NC3CCCC3)cc2)cc1 ZINC000016217101 558779268 /nfs/dbraw/zinc/77/92/68/558779268.db2.gz AWAXDRXTSATKBB-UHFFFAOYSA-N 0 0 404.488 2.934 40 0 HFABRN COc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)N[C@H](C)CCc1ccccc1 ZINC000016291291 558783873 /nfs/dbraw/zinc/78/38/73/558783873.db2.gz QRLJTZKNHZXFNR-QGZVFWFLSA-N 0 0 404.532 2.762 40 0 HFABRN CC(C)(C)C(=O)N1CCCc2cc([C@H](O)CN3CCN(c4cnccn4)CC3)ccc21 ZINC000036741254 558802099 /nfs/dbraw/zinc/80/20/99/558802099.db2.gz OVHNOZJNDFAGER-OAQYLSRUSA-N 0 0 423.561 2.658 40 0 HFABRN CN(C)S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000038754792 558814305 /nfs/dbraw/zinc/81/43/05/558814305.db2.gz KLOXYBOSNRNVPR-INIZCTEOSA-N 0 0 403.504 2.936 40 0 HFABRN CCOc1ccc([C@@H](C)NC(=O)CN(c2ccc(OC)cc2)S(C)(=O)=O)cc1 ZINC000038772154 558815360 /nfs/dbraw/zinc/81/53/60/558815360.db2.gz GYPWVTJAXZZYKB-OAHLLOKOSA-N 0 0 406.504 2.737 40 0 HFABRN C[C@H](NC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(F)cc1 ZINC000017916258 558828776 /nfs/dbraw/zinc/82/87/76/558828776.db2.gz QPCJZGKAIXSPMZ-INIZCTEOSA-N 0 0 420.506 2.657 40 0 HFABRN C[C@H](NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1)c1ccc2c(c1)OCCO2 ZINC000018109166 558831291 /nfs/dbraw/zinc/83/12/91/558831291.db2.gz JGLARLKQRLNMGD-ZDUSSCGKSA-N 0 0 424.906 2.609 40 0 HFABRN COc1ccc(OC)c(CC(=O)N2CCC[C@H]([C@H](NC(C)=O)c3ccccn3)C2)c1 ZINC000019020197 558837726 /nfs/dbraw/zinc/83/77/26/558837726.db2.gz XRRHBAVSMYVWMM-SBUREZEXSA-N 0 0 411.502 2.757 40 0 HFABRN COc1ccc(CC(=O)N2CCC([C@H](NC(C)=O)c3ccccn3)CC2)cc1OC ZINC000019020370 558837806 /nfs/dbraw/zinc/83/78/06/558837806.db2.gz JMCVOJBLRHPUSN-QHCPKHFHSA-N 0 0 411.502 2.757 40 0 HFABRN CC(=O)Nc1ccc(S(=O)(=O)N2CCC(c3nnc4n3CCCCC4)CC2)cc1 ZINC000019022571 558838101 /nfs/dbraw/zinc/83/81/01/558838101.db2.gz XUNDAGURHUIOMA-UHFFFAOYSA-N 0 0 417.535 2.531 40 0 HFABRN CC(C)Oc1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 ZINC000045996723 558838475 /nfs/dbraw/zinc/83/84/75/558838475.db2.gz GHBZVGRMGKJRQT-UHFFFAOYSA-N 0 0 404.488 2.747 40 0 HFABRN C[C@H](C(=O)N1CCC(n2c3ccccc3oc2=O)CC1)n1ncc2ccccc2c1=O ZINC000019078128 558838606 /nfs/dbraw/zinc/83/86/06/558838606.db2.gz QUTFJALHNRPDSM-OAHLLOKOSA-N 0 0 418.453 2.729 40 0 HFABRN CC(C)C(=O)N1CCC[C@@H](c2cc(=O)[nH]c(C3CCN(C(=O)C4CC4)CC3)n2)C1 ZINC000019085464 558841149 /nfs/dbraw/zinc/84/11/49/558841149.db2.gz LGHSXCBGRCQGHK-QGZVFWFLSA-N 0 0 400.523 2.660 40 0 HFABRN Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H]([C@H]1CCCN(C(=O)CCCN3CCCC3=O)C1)N2 ZINC000019127738 558844902 /nfs/dbraw/zinc/84/49/02/558844902.db2.gz YXFKNYYAQBRSKA-YESZJQIVSA-N 0 0 423.508 2.823 40 0 HFABRN Cc1ccc(S(=O)(=O)N2CCO[C@@H](c3nc(Cc4cccs4)no3)C2)cc1 ZINC000019211572 558848519 /nfs/dbraw/zinc/84/85/19/558848519.db2.gz LWCUNQUQQSLFFA-MRXNPFEDSA-N 0 0 405.501 2.793 40 0 HFABRN Cc1ccc(S(=O)(=O)N2CC[C@H](c3nc(-c4ccncc4)cc(=O)[nH]3)C2)cc1C ZINC000019214302 558849624 /nfs/dbraw/zinc/84/96/24/558849624.db2.gz OWUQWZQZBPADNL-KRWDZBQOSA-N 0 0 410.499 2.627 40 0 HFABRN COCCC(=O)N1CCO[C@@](Cc2ccc(-c3cccc(C)c3)cc2)(C(=O)N(C)C)C1 ZINC000019235357 558854328 /nfs/dbraw/zinc/85/43/28/558854328.db2.gz MYIZBAFOLCEJNL-RUZDIDTESA-N 0 0 424.541 2.927 40 0 HFABRN Cc1cccc(N2C[C@@H](c3cc(=O)[nH]c(NCCc4ccccn4)n3)CC2=O)c1C ZINC000019235580 558854656 /nfs/dbraw/zinc/85/46/56/558854656.db2.gz HRPSRDAWMNEKQN-KRWDZBQOSA-N 0 0 403.486 2.957 40 0 HFABRN Cc1cccc(CCC(=O)N2CCC(C(=O)c3ccc4c(c3)NC(=O)CO4)CC2)n1 ZINC000019236085 558855216 /nfs/dbraw/zinc/85/52/16/558855216.db2.gz GNMRCXUSDIUCMA-UHFFFAOYSA-N 0 0 407.470 2.775 40 0 HFABRN Cc1cnc(-c2nnc([C@H]3CCCN(S(=O)(=O)c4ccc(F)c(F)c4)C3)o2)cn1 ZINC000019239135 558857686 /nfs/dbraw/zinc/85/76/86/558857686.db2.gz DLCWLKSOTFYZRB-LBPRGKRZSA-N 0 0 421.429 2.682 40 0 HFABRN COc1ccc(OCC(=O)N2CCC(c3nnc(-c4cnc(C)cn4)o3)CC2)cc1 ZINC000019239218 558857857 /nfs/dbraw/zinc/85/78/57/558857857.db2.gz YGCKIROLBUPXMK-UHFFFAOYSA-N 0 0 409.446 2.629 40 0 HFABRN COc1ccc(Cc2nnc(NC(=O)c3cnn4cc(C)cnc34)s2)cc1OC ZINC000019239353 558858023 /nfs/dbraw/zinc/85/80/23/558858023.db2.gz GPLOHJZRXGZOHN-UHFFFAOYSA-N 0 0 410.459 2.750 40 0 HFABRN COc1ccc(-c2cc3ncccc3c(NCCNC(=O)c3cnn(C)c3)n2)cc1 ZINC000019290575 558863017 /nfs/dbraw/zinc/86/30/17/558863017.db2.gz SNIRLQDLWPTVCO-UHFFFAOYSA-N 0 0 402.458 2.881 40 0 HFABRN Cn1ccc(C(=O)N2[C@@H]3CC[C@H]2c2c(nc(-c4ccncc4)nc2NC2CC2)C3)n1 ZINC000019290851 558863231 /nfs/dbraw/zinc/86/32/31/558863231.db2.gz MSWILUGFLPDRHY-QAPCUYQASA-N 0 0 401.474 2.748 40 0 HFABRN COc1ccc(-c2nnc3n2[C@H]2CCCC[C@H]2N(C(=O)c2ccn(C)n2)C3)cc1OC ZINC000019290986 558863424 /nfs/dbraw/zinc/86/34/24/558863424.db2.gz HDXHMEDTLZBYCE-SJORKVTESA-N 0 0 422.489 2.836 40 0 HFABRN Nc1c(C(=O)[C@H]2CCCN2C(=O)CCc2cccnc2)cnn1-c1ccc(F)cc1 ZINC000019338520 558870903 /nfs/dbraw/zinc/87/09/03/558870903.db2.gz HEAMNQGIGJOIQZ-LJQANCHMSA-N 0 0 407.449 2.795 40 0 HFABRN O=C(COc1ccc(F)c(Cl)c1)N1CCO[C@H](c2nc(-c3cccnc3)no2)C1 ZINC000019341066 558871805 /nfs/dbraw/zinc/87/18/05/558871805.db2.gz QHPNPFHNBGWFCL-INIZCTEOSA-N 0 0 418.812 2.903 40 0 HFABRN O=C(NCC1(c2ccccc2F)CCOCC1)c1ccc(CN2CCOCC2)o1 ZINC000019347973 558874076 /nfs/dbraw/zinc/87/40/76/558874076.db2.gz WHFYFECMFUEKIX-UHFFFAOYSA-N 0 0 402.466 2.729 40 0 HFABRN O=C(C1CCC1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)CN(Cc1ccccc1F)CC2 ZINC000019349245 558874834 /nfs/dbraw/zinc/87/48/34/558874834.db2.gz RHQUTAYNVAABPE-FQEVSTJZSA-N 0 0 410.493 2.931 40 0 HFABRN NC(=O)c1c2c(sc1NC(=O)CN1CCC(Oc3ccccc3F)CC1)CCC2 ZINC000019350144 558875511 /nfs/dbraw/zinc/87/55/11/558875511.db2.gz XPVDQEVKYLIGGL-UHFFFAOYSA-N 0 0 417.506 2.957 40 0 HFABRN O=S(=O)(CCOc1ccccc1)N1CCO[C@@H](c2nc(-c3cccs3)no2)C1 ZINC000019373556 558880774 /nfs/dbraw/zinc/88/07/74/558880774.db2.gz JDTYLRCFSXTGGT-OAHLLOKOSA-N 0 0 421.500 2.580 40 0 HFABRN O=C(CN1c2c(cnn2-c2ccccc2)C2=NCCN2C1=O)Nc1ccc(F)cc1 ZINC000019374508 558881258 /nfs/dbraw/zinc/88/12/58/558881258.db2.gz UBFKTRUQUYAYSB-UHFFFAOYSA-N 0 0 404.405 2.652 40 0 HFABRN O=C(CN1Cc2ccccc2C1=O)N1CCC[C@]2(CCC(=O)N2)[C@H]1c1ccc(F)cc1 ZINC000019375553 558881730 /nfs/dbraw/zinc/88/17/30/558881730.db2.gz RBQZLUNSWOTSFV-VWNXMTODSA-N 0 0 421.472 2.794 40 0 HFABRN O=c1[nH]c2ccc(S(=O)(=O)N[C@@H](Cc3ccsc3)c3ccccn3)cc2[nH]1 ZINC000019400988 558883564 /nfs/dbraw/zinc/88/35/64/558883564.db2.gz FVTJGZSIRKOIMH-KRWDZBQOSA-N 0 0 400.485 2.575 40 0 HFABRN CC(C)c1nccn1CCC(=O)N1CCC(C(=O)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC000019454451 558891257 /nfs/dbraw/zinc/89/12/57/558891257.db2.gz KGJJONPXOIFLFO-UHFFFAOYSA-N 0 0 424.501 2.849 40 0 HFABRN COc1ccc(S(=O)(=O)N2CCC[C@]3(C2)OCCc2cnc(C(C)C)nc23)cc1 ZINC000019454217 558891274 /nfs/dbraw/zinc/89/12/74/558891274.db2.gz KKBXEDULXDLBJC-OAQYLSRUSA-N 0 0 417.531 2.861 40 0 HFABRN C[C@@H](Cn1cc(Cl)cn1)c1cc(=O)[nH]c(NC[C@@H]2COc3ccccc3O2)n1 ZINC000019457476 558892284 /nfs/dbraw/zinc/89/22/84/558892284.db2.gz RGUSZZHBGXDWMA-GXTWGEPZSA-N 0 0 401.854 2.675 40 0 HFABRN COc1ccc([C@@H](NC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)c2ccccc2)cc1 ZINC000019460041 558893210 /nfs/dbraw/zinc/89/32/10/558893210.db2.gz KIFTXOSKNODVQV-REWPJTCUSA-N 0 0 407.470 2.621 40 0 HFABRN C[C@@H]1CCCC[C@@H]1NC(=O)CN1c2c(cnn2-c2ccccc2)C2=NCCN2C1=O ZINC000019496217 558895197 /nfs/dbraw/zinc/89/51/97/558895197.db2.gz LLTLDLPWDDXYAI-QAPCUYQASA-N 0 0 406.490 2.569 40 0 HFABRN C[C@H]1CN(C(=O)c2c[nH]nc2C2CCN(C(=O)Cc3ccccc3)CC2)C[C@H](C)O1 ZINC000019497303 558896214 /nfs/dbraw/zinc/89/62/14/558896214.db2.gz ZHGSKTCQZABWDY-IRXDYDNUSA-N 0 0 410.518 2.608 40 0 HFABRN C[C@@H]1CN(C(=O)c2ccc(NC(=O)c3cn(-c4ccccc4)nn3)cc2)C[C@H](C)O1 ZINC000019497368 558896369 /nfs/dbraw/zinc/89/63/69/558896369.db2.gz QAPGWGCUXQPXRM-IYBDPMFKSA-N 0 0 405.458 2.769 40 0 HFABRN CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCCN3C(=O)[C@H]3CC(=O)N(C)C3)cc2N1 ZINC000019520674 558901817 /nfs/dbraw/zinc/90/18/17/558901817.db2.gz WMVZVNRMGSZCGA-CTHBEMJXSA-N 0 0 413.444 2.723 40 0 HFABRN CCc1c(C)nc2cc(-c3cc(C)oc3C)nn2c1NC[C@@H](O)CN1CCOCC1 ZINC000019521634 558902776 /nfs/dbraw/zinc/90/27/76/558902776.db2.gz QWZAMCWAPRHEGO-QGZVFWFLSA-N 0 0 413.522 2.582 40 0 HFABRN CCn1cc(CN2CCN(C(=O)C3(c4ccc(Cl)cc4)CCOCC3)CC2)cn1 ZINC000019524950 558906286 /nfs/dbraw/zinc/90/62/86/558906286.db2.gz HGFHQUJXIARFMU-UHFFFAOYSA-N 0 0 416.953 2.949 40 0 HFABRN O=C([O-])[C@@H]1COC2(CC[NH+](Cc3ccccc3)CC2)N1C(=O)c1ccc(F)cc1F ZINC000071980672 558917400 /nfs/dbraw/zinc/91/74/00/558917400.db2.gz RSGCJWCDRPXTGF-IBGZPJMESA-N 0 0 416.424 2.883 40 0 HFABRN COc1ccc([C@H]2CN(C(=O)C3CC3)[C@@H]3CCN(C(=O)c4ccncc4)C[C@@H]32)cc1 ZINC000019557667 558919589 /nfs/dbraw/zinc/91/95/89/558919589.db2.gz PTIJFOQSCUENSW-YPAWHYETSA-N 0 0 405.498 2.957 40 0 HFABRN COc1ccc(C(=O)N2CCC[C@H](Cn3nnc(-c4cccs4)n3)C2)cc1OC ZINC000019559832 558920983 /nfs/dbraw/zinc/92/09/83/558920983.db2.gz HIFMJFVCHGFNER-AWEZNQCLSA-N 0 0 413.503 2.971 40 0 HFABRN COc1ccc(CC(=O)N2CCC(O)(Cn3ncc4ccccc43)CC2)cc1OC ZINC000019560356 558921358 /nfs/dbraw/zinc/92/13/58/558921358.db2.gz GONVZIZHLXKMSI-UHFFFAOYSA-N 0 0 409.486 2.650 40 0 HFABRN COc1ccc2c(c1)NC[C@H]2CC(=O)N1CCC[C@](O)(Cn2cnc3ccccc32)C1 ZINC000019562729 558923278 /nfs/dbraw/zinc/92/32/78/558923278.db2.gz JDAJPRSMKOHORZ-MZNJEOGPSA-N 0 0 420.513 2.998 40 0 HFABRN Cc1nnsc1C(=O)N[C@H](Cc1cc(=O)[nH]c(-c2cccnc2)n1)c1ccccc1 ZINC000019563600 558923773 /nfs/dbraw/zinc/92/37/73/558923773.db2.gz CLRGONBFKOCKIW-QGZVFWFLSA-N 0 0 418.482 2.706 40 0 HFABRN Cc1noc2nc([C@@H]3CCCN(C(=O)[C@@H]4CC(=O)N(C)C4)C3)cc(C(F)(F)F)c12 ZINC000019563757 558923949 /nfs/dbraw/zinc/92/39/49/558923949.db2.gz ZXEREPMAPWOQIG-VXGBXAGGSA-N 0 0 410.396 2.734 40 0 HFABRN COc1cccc([C@H]2CN(C(=O)C3CC3)[C@@H]3CCN(C(=O)c4ccccn4)C[C@@H]32)c1 ZINC000019566275 558926059 /nfs/dbraw/zinc/92/60/59/558926059.db2.gz FEDZWTYLEQDDMX-KCZVDYSFSA-N 0 0 405.498 2.957 40 0 HFABRN Cc1cc(C(F)(F)F)c2c(n1)onc2[C@H]1CCCN(C(=O)CCn2cncn2)C1 ZINC000019568677 558927751 /nfs/dbraw/zinc/92/77/51/558927751.db2.gz QHFRTBYEWMFPEN-LBPRGKRZSA-N 0 0 408.384 2.938 40 0 HFABRN COc1ccccc1OCC(=O)N1C[C@@H](c2cccnc2)[C@]2(C1)CCCCC(=O)N2 ZINC000019571445 558930130 /nfs/dbraw/zinc/93/01/30/558930130.db2.gz YVRZAUVOKBAJMK-FDDCHVKYSA-N 0 0 409.486 2.524 40 0 HFABRN CSc1ccc2cc(CNc3cc(C(N)=O)ccc3N3CCOCC3)c(=O)[nH]c2c1 ZINC000019574069 558931753 /nfs/dbraw/zinc/93/17/53/558931753.db2.gz ZNKTUNGIMIRPOQ-UHFFFAOYSA-N 0 0 424.526 2.798 40 0 HFABRN NS(=O)(=O)c1ccc(CNc2ncc(-c3ccncc3)c([C@H]3CCCO3)n2)cc1 ZINC000072324888 558933172 /nfs/dbraw/zinc/93/31/72/558933172.db2.gz QFWGFGTWUGACKK-GOSISDBHSA-N 0 0 411.487 2.650 40 0 HFABRN COc1ccccc1-c1ccc(=O)n([C@H]2CCCN(C(=O)Cc3ccccn3)C2)n1 ZINC000072335310 558936465 /nfs/dbraw/zinc/93/64/65/558936465.db2.gz WUWFLCOTUISYNE-SFHVURJKSA-N 0 0 404.470 2.720 40 0 HFABRN C[C@@H]1CN(c2nc3c(c(=O)[nH]2)CCN(Cc2ccc4ccccc4n2)C3)C[C@H](C)O1 ZINC000072335581 558936527 /nfs/dbraw/zinc/93/65/27/558936527.db2.gz DIPZTJWETZQAMJ-IYBDPMFKSA-N 0 0 405.502 2.902 40 0 HFABRN COc1ccc(N2C[C@H](C(=O)N3CCN(C)C[C@@H]3c3ccccc3)CC2=O)c(OC)c1 ZINC000019589336 558940180 /nfs/dbraw/zinc/94/01/80/558940180.db2.gz DIFOXHHUTGAHPN-WIYYLYMNSA-N 0 0 423.513 2.572 40 0 HFABRN CNC(=O)[C@@]1(Cc2cccc(-c3ccncc3)c2)CCCN(C(=O)c2cnccn2)C1 ZINC000019591256 558941670 /nfs/dbraw/zinc/94/16/70/558941670.db2.gz VZNHVMLWVNMHDS-XMMPIXPASA-N 0 0 415.497 2.750 40 0 HFABRN COc1ccccc1NC(=O)[C@@H]1CN(C(=O)c2scnc2C)Cc2cn(C)nc21 ZINC000072345630 558942065 /nfs/dbraw/zinc/94/20/65/558942065.db2.gz BHLQKYPODMKQQM-CQSZACIVSA-N 0 0 411.487 2.572 40 0 HFABRN C[C@H]1CCCC[C@@H]1NC(=O)Cn1c2ccccc2n2c(=O)n(Cc3ccncc3)nc12 ZINC000072347022 558943701 /nfs/dbraw/zinc/94/37/01/558943701.db2.gz IDAXKAADRZYPLS-WMZOPIPTSA-N 0 0 418.501 2.589 40 0 HFABRN COCCc1ncc(CN2CCC[C@H](c3nc(-c4cccs4)cc(=O)[nH]3)C2)cn1 ZINC000019593852 558945111 /nfs/dbraw/zinc/94/51/11/558945111.db2.gz ZVQYVFDGMRJANI-INIZCTEOSA-N 0 0 411.531 2.857 40 0 HFABRN Cc1cccc([C@H](O)[C@@](Br)(I)S(C)(=O)=O)c1 ZINC000096521038 558964336 /nfs/dbraw/zinc/96/43/36/558964336.db2.gz CZCNSYDGSKNNCM-VHSXEESVSA-N 0 0 419.078 2.557 40 0 HFABRN CCc1nc2nc(-c3ccc(NC(=O)CCN4CCCC4=O)cc3)cn2nc1CC ZINC000019657274 558949668 /nfs/dbraw/zinc/94/96/68/558949668.db2.gz SRQDMEMEUJFCLO-UHFFFAOYSA-N 0 0 406.490 2.867 40 0 HFABRN COc1ccc2c(c1)c(C[C@H](C)NC(=O)c1ccc3c(c1)N(C)C(=O)CO3)cn2C ZINC000019658504 558950413 /nfs/dbraw/zinc/95/04/13/558950413.db2.gz JZBQQHWSAICLTE-AWEZNQCLSA-N 0 0 407.470 2.903 40 0 HFABRN NC(=O)c1cccc(-c2nccnc2[C@@H]2CCCN(CC(=O)Nc3nccs3)C2)c1 ZINC000072358605 558954352 /nfs/dbraw/zinc/95/43/52/558954352.db2.gz OTSFCFDKSGRNEP-MRXNPFEDSA-N 0 0 422.514 2.517 40 0 HFABRN COc1ccc(Cc2ccc([C@H]3CCCN3C(=O)c3ccc(=O)n(C)n3)nc2)cc1 ZINC000019688400 558957897 /nfs/dbraw/zinc/95/78/97/558957897.db2.gz JLEKHQPGWBWOND-OAQYLSRUSA-N 0 0 404.470 2.752 40 0 HFABRN COc1ccccc1OCCc1cc([C@H]2CCN(C(=O)c3snnc3C)C2)[nH]n1 ZINC000072371509 558958333 /nfs/dbraw/zinc/95/83/33/558958333.db2.gz AQQWKHIBKZTFRV-AWEZNQCLSA-N 0 0 413.503 2.829 40 0 HFABRN CN(C)c1ncc(C(=O)N2CC[C@H](c3cc(CCOc4cccc(F)c4)n[nH]3)C2)cn1 ZINC000072371547 558958457 /nfs/dbraw/zinc/95/84/57/558958457.db2.gz GOXMDVKXYUEKNL-HNNXBMFYSA-N 0 0 424.480 2.656 40 0 HFABRN Cc1nn(C)cc1C(=O)N1CCC(c2ccc(-c3ccc(C(N)=O)cc3)cn2)CC1 ZINC000019689110 558958489 /nfs/dbraw/zinc/95/84/89/558958489.db2.gz CNVVYPLYWJHHPT-UHFFFAOYSA-N 0 0 403.486 2.909 40 0 HFABRN CC(C)c1ccc(OCCc2cc([C@@H]3CCN(C(=O)c4no[nH]c4=O)C3)[nH]n2)cc1 ZINC000072371803 558958950 /nfs/dbraw/zinc/95/89/50/558958950.db2.gz QXBJCEACPUEHNF-OAHLLOKOSA-N 0 0 411.462 2.873 40 0 HFABRN CC(C)c1ccc(OCCc2cc([C@H]3CCN(C(=O)c4no[nH]c4=O)C3)[nH]n2)cc1 ZINC000072371804 558959166 /nfs/dbraw/zinc/95/91/66/558959166.db2.gz QXBJCEACPUEHNF-HNNXBMFYSA-N 0 0 411.462 2.873 40 0 HFABRN CN(C)c1ncc(-c2ccc(F)cc2)c([C@H]2CCCN2S(=O)(=O)N2CCCC2)n1 ZINC000019689746 558959180 /nfs/dbraw/zinc/95/91/80/558959180.db2.gz RCGBBILKYOTWMZ-GOSISDBHSA-N 0 0 419.526 2.826 40 0 HFABRN CCN(CC)S(=O)(=O)N1CCC(c2ccc(Nc3nc(C)cc(C)n3)cn2)CC1 ZINC000072374208 558961767 /nfs/dbraw/zinc/96/17/67/558961767.db2.gz DIPXXVBKKMUOFS-UHFFFAOYSA-N 0 0 418.567 2.998 40 0 HFABRN CN(C)c1ncc(-c2cccc(Cl)c2)c([C@H]2CCCN(S(=O)(=O)N(C)C)C2)n1 ZINC000019694560 558963196 /nfs/dbraw/zinc/96/31/96/558963196.db2.gz HCTBWLDZSHIYRH-HNNXBMFYSA-N 0 0 423.970 2.849 40 0 HFABRN CCOC(=O)C[C@@H]1CN(S(=O)(=O)c2ccc(NC(C)=O)cc2)c2ccccc2O1 ZINC000096526957 558964710 /nfs/dbraw/zinc/96/47/10/558964710.db2.gz OLARAQJTEWNBKT-MRXNPFEDSA-N 0 0 418.471 2.555 40 0 HFABRN Cc1cnc2c(C(=O)N3CCC(c4ccc(C(=O)NCC5CC5)cn4)CC3)cnn2c1 ZINC000019705843 558968327 /nfs/dbraw/zinc/96/83/27/558968327.db2.gz UBUIZJRWRGVMDY-UHFFFAOYSA-N 0 0 418.501 2.592 40 0 HFABRN CC(=O)Nc1ccc(S(=O)(=O)N2CC[C@@H](c3nnc(-c4ccsc4)o3)C2)cc1 ZINC000072390532 558970612 /nfs/dbraw/zinc/97/06/12/558970612.db2.gz UJUWWWWCSHXDDH-CYBMUJFWSA-N 0 0 418.500 2.935 40 0 HFABRN O=C(Cc1ccccc1F)N1CCC[C@H](c2ncccc2C(=O)N2CCOCC2)C1 ZINC000019709390 558971712 /nfs/dbraw/zinc/97/17/12/558971712.db2.gz BYWYUTKFUOBTQJ-SFHVURJKSA-N 0 0 411.477 2.642 40 0 HFABRN Cn1c(-c2ccc(F)cc2)cnc1NC(=O)CCc1ccc2c(c1)n(C)c(=O)n2C ZINC000019714346 558974134 /nfs/dbraw/zinc/97/41/34/558974134.db2.gz PBJCJIAUFXYCGN-UHFFFAOYSA-N 0 0 407.449 2.988 40 0 HFABRN COc1ccc2c(c1)c(C[C@H](C)NC(=O)c1cnc3c(C)cccn3c1=O)cn2C ZINC000019714705 558975018 /nfs/dbraw/zinc/97/50/18/558975018.db2.gz CWKSMCBKDMKZJR-HNNXBMFYSA-N 0 0 404.470 2.864 40 0 HFABRN Cc1nc(N2CCCCC2)ncc1C(=O)NCc1ccc(CN2CCCC2=O)cc1 ZINC000019714789 558975042 /nfs/dbraw/zinc/97/50/42/558975042.db2.gz OMFCKNHXQDTATO-UHFFFAOYSA-N 0 0 407.518 2.828 40 0 HFABRN Cc1nc2ccccc2c(=O)n1CC(=O)Nc1cccc(C(=O)N2CCCC2)c1C ZINC000019715197 558975859 /nfs/dbraw/zinc/97/58/59/558975859.db2.gz DYCRAUHGSUATMC-UHFFFAOYSA-N 0 0 404.470 2.888 40 0 HFABRN COc1ccc(CNc2nc([C@@H](C)n3ncc4ccccc4c3=O)cc(=O)[nH]2)cc1 ZINC000019717926 558980930 /nfs/dbraw/zinc/98/09/30/558980930.db2.gz IMZBCAITDZKBBL-CQSZACIVSA-N 0 0 403.442 2.710 40 0 HFABRN CC(=O)Nc1nc2c(s1)CN(C(=O)COc1cccc3c1OC(C)(C)C3)CC2 ZINC000077141603 558999549 /nfs/dbraw/zinc/99/95/49/558999549.db2.gz INNSTJUVTABJCE-UHFFFAOYSA-N 0 0 401.488 2.779 40 0 HFABRN CCOC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@]4(O)C[C@H](O)CC[C@]4(C(=O)OC)[C@H]3CC[C@]12C ZINC000257349495 559015089 /nfs/dbraw/zinc/01/50/89/559015089.db2.gz OMXJQZCHDGGDHY-GAAWCZCHSA-N 0 0 408.535 2.837 40 0 HFABRN Cc1cccc(C(=O)N2Cc3ccnn3[C@H](CC(=O)N(C)Cc3ccccn3)C2)c1 ZINC000585095817 559023347 /nfs/dbraw/zinc/02/33/47/559023347.db2.gz NHFRBLICWNZDNY-OAQYLSRUSA-N 0 0 403.486 2.832 40 0 HFABRN O=C(C[C@H]1CN(C(=O)c2c[nH]c3ccccc23)Cc2ccnn21)NCc1ccco1 ZINC000585095993 559023387 /nfs/dbraw/zinc/02/33/87/559023387.db2.gz XDHIJIUOSAMHKN-INIZCTEOSA-N 0 0 403.442 2.861 40 0 HFABRN COC(=O)[C@@H]1CCCN1C[C@H]1CC2(CO1)CCN(C(=O)c1ccc(C)c(F)c1)CC2 ZINC000585105101 559027528 /nfs/dbraw/zinc/02/75/28/559027528.db2.gz XZORPAJWEVTDTP-QUCCMNQESA-N 0 0 418.509 2.783 40 0 HFABRN Cc1snnc1C(=O)N1CCO[C@@H](c2ncn3cc(-c4cccnc4)ccc23)C1 ZINC000585113123 559031009 /nfs/dbraw/zinc/03/10/09/559031009.db2.gz FDTVDIGYURSGPR-QGZVFWFLSA-N 0 0 406.471 2.770 40 0 HFABRN CN(C)c1ccc(C(=O)N2CCc3ncc(-c4cnn(C(F)F)c4)n3CC2)cc1 ZINC000585111024 559031604 /nfs/dbraw/zinc/03/16/04/559031604.db2.gz APNQPOCOGJJLEO-UHFFFAOYSA-N 0 0 400.433 2.906 40 0 HFABRN O=C(C[C@@H]1CC2(CCN(S(=O)(=O)C3CC3)CC2)Oc2ccccc21)NC1CCC1 ZINC000096053409 559093406 /nfs/dbraw/zinc/09/34/06/559093406.db2.gz ODHWGFHSQKTGPT-MRXNPFEDSA-N 0 0 418.559 2.938 40 0 HFABRN O=C(C[C@H]1CC2(CCN(C(=O)c3ccnnc3)CC2)Oc2ccccc21)NC1CC1 ZINC000096053447 559093414 /nfs/dbraw/zinc/09/34/14/559093414.db2.gz YXEOAFKIICXKAL-KRWDZBQOSA-N 0 0 406.486 2.686 40 0 HFABRN COCCN(C)c1nc(C2CCN(C(=O)N(C)C)CC2)cc2c1ncn2C(C)C ZINC000096100041 559095442 /nfs/dbraw/zinc/09/54/42/559095442.db2.gz FKMIVYOGDMQIKU-UHFFFAOYSA-N 0 0 402.543 2.956 40 0 HFABRN COCCNC(=O)[C@H]1C[C@@]2(CO1)CN(Cc1ccc(F)cc1F)c1ccccc12 ZINC000096143988 559096387 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O=C(c1nc(-c2cn(Cc3ccccc3)cn2)n2ccccc12)N1CCC[C@H](O)C1 ZINC000096155012 559099352 /nfs/dbraw/zinc/09/93/52/559099352.db2.gz LRIJALMSTIKXHV-SFHVURJKSA-N 0 0 401.470 2.843 40 0 HFABRN CC(C)n1cnc([C@H]2CN(C(=O)c3ccccn3)c3ccc(C(=O)NC4CC4)cc32)n1 ZINC000096156380 559100501 /nfs/dbraw/zinc/10/05/01/559100501.db2.gz JUXXDBXXBOBWOM-SFHVURJKSA-N 0 0 416.485 2.939 40 0 HFABRN Cc1ccc(N2CCN(CC3CC3)C3(CCN(C(=O)c4ccco4)CC3)C2=O)cn1 ZINC000096230384 559103033 /nfs/dbraw/zinc/10/30/33/559103033.db2.gz BIAAZUBBDWSSKN-UHFFFAOYSA-N 0 0 408.502 2.717 40 0 HFABRN CC(=O)N1CC(=O)N(c2ccsc2)C[C@@]12CCN(C(=O)c1ccc(C)c(C)c1)C2 ZINC000096238241 559103402 /nfs/dbraw/zinc/10/34/02/559103402.db2.gz PBIOGKSMFDPWBU-QFIPXVFZSA-N 0 0 411.527 2.845 40 0 HFABRN CCCS(=O)(=O)N1Cc2ccccc2C2(CCN(c3ncc(F)cn3)CC2)C1 ZINC000096242638 559104237 /nfs/dbraw/zinc/10/42/37/559104237.db2.gz VRTVAQMOTUQKNV-UHFFFAOYSA-N 0 0 404.511 2.709 40 0 HFABRN CN(C)C(=O)[C@@]12CN(c3ccccn3)C[C@@H]1CN(C(=O)Cc1ccsc1)CCC2 ZINC000096251258 559105282 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COc1ccccc1CC(=O)N[C@H](C)c1cc(=O)n2nc(-c3cccnc3)cc2[nH]1 ZINC000100744396 559139514 /nfs/dbraw/zinc/13/95/14/559139514.db2.gz CKHSAJUVWIEGQP-CQSZACIVSA-N 0 0 403.442 2.925 40 0 HFABRN CCOc1ccc(N2C(=O)[C@H]3[C@H](C2=O)N2CCCN2[C@H]3c2ccccc2OC)cc1 ZINC000102707031 559152075 /nfs/dbraw/zinc/15/20/75/559152075.db2.gz MJQCQSXQHKKBKC-QHAWAJNXSA-N 0 0 407.470 2.630 40 0 HFABRN CCOc1ccc(CNC(=O)CCCN(c2ccc(OC)cc2)S(C)(=O)=O)cc1 ZINC000113962582 559184130 /nfs/dbraw/zinc/18/41/30/559184130.db2.gz ZRRYFQPYHUEZKJ-UHFFFAOYSA-N 0 0 420.531 2.957 40 0 HFABRN CC[C@@H](C(=O)Nc1cccc(C(=O)OC)c1)N(c1ccccc1F)S(C)(=O)=O ZINC000113967209 559184780 /nfs/dbraw/zinc/18/47/80/559184780.db2.gz FXGGUUQMYHLWQL-INIZCTEOSA-N 0 0 408.451 2.796 40 0 HFABRN CC[C@@H](C(=O)N1CCN(c2ccccc2)CC1)N(c1ccccc1F)S(C)(=O)=O ZINC000113967939 559185009 /nfs/dbraw/zinc/18/50/09/559185009.db2.gz JZMSJAMRWSWJPH-IBGZPJMESA-N 0 0 419.522 2.719 40 0 HFABRN Cc1ccc(OC[C@@H](C)NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 ZINC000116016546 559188802 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O=C(CN1C(=O)N/C(=C/c2cc3c(cc2Cl)OCO3)C1=O)Nc1ccccc1F ZINC000409218008 560697691 /nfs/dbraw/zinc/69/76/91/560697691.db2.gz SAVRPBFMVUMHOF-LHHJGKSTSA-N 0 0 417.780 2.739 40 0 HFABRN O=C(COC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1)Nc1nccs1 ZINC000409222280 560698797 /nfs/dbraw/zinc/69/87/97/560698797.db2.gz BZNNUPKXTRYSGG-UHFFFAOYSA-N 0 0 407.407 2.739 40 0 HFABRN CCCN1C(=O)N/C(=C/c2cc(I)c(OC)c(OC)c2)C1=O ZINC000409231576 560700404 /nfs/dbraw/zinc/70/04/04/560700404.db2.gz LJYCSCQNNWNTQH-YRNVUSSQSA-N 0 0 416.215 2.611 40 0 HFABRN CCOc1cc(/C=C2/SC(=O)N(CCCOC)C2=O)ccc1OCC(=O)OC ZINC000409246386 560701517 /nfs/dbraw/zinc/70/15/17/560701517.db2.gz HNGHFJOVKJDZDS-LFIBNONCSA-N 0 0 409.460 2.710 40 0 HFABRN COC(=O)c1cccc(NC(=O)CN(c2cccc(C)c2C)S(C)(=O)=O)c1C ZINC000409262739 560704586 /nfs/dbraw/zinc/70/45/86/560704586.db2.gz JSVKAOHCQQMVBJ-UHFFFAOYSA-N 0 0 404.488 2.803 40 0 HFABRN COc1ccc(OCC(=O)N2N=C(c3ccc(OC)cc3)C[C@]2(O)C(F)(F)F)cc1 ZINC000409345466 560714631 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40 0 HFABRN COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC1CCCCCCC1 ZINC000104879426 560737253 /nfs/dbraw/zinc/73/72/53/560737253.db2.gz XGGQPBDEMUGKJW-UHFFFAOYSA-N 0 0 410.536 2.559 40 0 HFABRN Cc1ccc(NC(=O)N[C@@H]2CCCC[C@@H]2O)cc1NC(=O)N[C@H]1CCCC[C@@H]1O ZINC000005547302 560738040 /nfs/dbraw/zinc/73/80/40/560738040.db2.gz HPNWSIUXORYUPO-NEPXVJNWSA-N 0 0 404.511 2.845 40 0 HFABRN COc1ccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 ZINC000006061878 560739561 /nfs/dbraw/zinc/73/95/61/560739561.db2.gz NNDGWWOQIKBKEF-OAHLLOKOSA-N 0 0 404.488 2.886 40 0 HFABRN CCCCCCSC1=NC(=O)C2=c3ccccc3=N[C@H](c3cccc(C)n3)N2N1 ZINC000588225070 560742659 /nfs/dbraw/zinc/74/26/59/560742659.db2.gz LUVGWGRQOSKHBC-FQEVSTJZSA-N 0 0 407.543 2.847 40 0 HFABRN Cc1ccc(OCCN2C(=O)S/C(=C\c3ccc(OCC(N)=O)cc3)C2=O)cc1 ZINC000106783219 560746225 /nfs/dbraw/zinc/74/62/25/560746225.db2.gz BQXFHMZFBNMOIF-PDGQHHTCSA-N 0 0 412.467 2.974 40 0 HFABRN COc1ccccc1CNC(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O ZINC000006928286 560746816 /nfs/dbraw/zinc/74/68/16/560746816.db2.gz IZFLKAAQQVCUCY-UHFFFAOYSA-N 0 0 400.859 2.570 40 0 HFABRN CCOc1ccc(N(CC(=O)NCCCc2ccc(C)cc2)S(C)(=O)=O)cc1 ZINC000010110444 560763623 /nfs/dbraw/zinc/76/36/23/560763623.db2.gz FGECVLCBBQVFEI-UHFFFAOYSA-N 0 0 404.532 2.909 40 0 HFABRN COc1cccc(N(CC(=O)N2CCCC2)S(=O)(=O)c2cc(C)ccc2OC)c1 ZINC000010300071 560766645 /nfs/dbraw/zinc/76/66/45/560766645.db2.gz DYJDSQSTHRBGDY-UHFFFAOYSA-N 0 0 418.515 2.830 40 0 HFABRN COC(=O)c1cccc(NC(=O)[C@H](C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)c1 ZINC000010296184 560766650 /nfs/dbraw/zinc/76/66/50/560766650.db2.gz NTYZUCFVNMHASH-HNNXBMFYSA-N 0 0 404.488 2.883 40 0 HFABRN CCOC(=O)c1ccc(NC(=O)CN(c2ccccc2C)S(C)(=O)=O)c(C)c1 ZINC000010446736 560769404 /nfs/dbraw/zinc/76/94/04/560769404.db2.gz ILYYRDOTNOJYEQ-UHFFFAOYSA-N 0 0 404.488 2.885 40 0 HFABRN CCOC(=O)c1ccc(NC(=O)CN(c2cccc(OC)c2)S(C)(=O)=O)c(C)c1 ZINC000010446796 560769421 /nfs/dbraw/zinc/76/94/21/560769421.db2.gz ZQDBOIJAEQTSMW-UHFFFAOYSA-N 0 0 420.487 2.585 40 0 HFABRN CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1ccc(Br)cc1 ZINC000010542628 560770167 /nfs/dbraw/zinc/77/01/67/560770167.db2.gz OKGRIEFVQVGWCE-UHFFFAOYSA-N 0 0 409.305 2.902 40 0 HFABRN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)Cn1nnc2c(cnn2-c2ccccc2)c1=O ZINC000013150610 560803035 /nfs/dbraw/zinc/80/30/35/560803035.db2.gz AEHVJVIRNCONHU-AYBZRNKSSA-N 0 0 409.490 2.981 40 0 HFABRN Cc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)Nc1ccccc1C(N)=O ZINC000113943473 560806847 /nfs/dbraw/zinc/80/68/47/560806847.db2.gz IFKXXDKNZHBQOY-UHFFFAOYSA-N 0 0 415.515 2.911 40 0 HFABRN Cc1ccc2[nH]c(=O)c(CNc3ccc(N4CC[NH+](C)CC4)cc3C(=O)[O-])cc2c1 ZINC000013565089 560813264 /nfs/dbraw/zinc/81/32/64/560813264.db2.gz BINGDOHAFLRLIT-UHFFFAOYSA-N 0 0 406.486 2.899 40 0 HFABRN CCS(=O)(=O)N(CC(=O)N1CCCc2ccccc21)c1ccc2c(c1)OCCO2 ZINC000013596298 560817501 /nfs/dbraw/zinc/81/75/01/560817501.db2.gz HUOVANOZGAXXAD-UHFFFAOYSA-N 0 0 416.499 2.593 40 0 HFABRN Cc1cc(=O)[nH]c(-n2nc3[nH]cc4c(c-3c2=O)C[C@H](/C=C/c2ccccc2)CC4=O)n1 ZINC000013639671 560826194 /nfs/dbraw/zinc/82/61/94/560826194.db2.gz JXSNRLDJZZNVHN-KIUWMYQTSA-N 0 0 413.437 2.976 40 0 HFABRN COc1ccc(CNC(=O)Cn2cnc3c4cc(C)ccc4[nH]c3c2=O)cc1OC ZINC000014001127 560837167 /nfs/dbraw/zinc/83/71/67/560837167.db2.gz QQMTWSJSUFUVEB-UHFFFAOYSA-N 0 0 406.442 2.520 40 0 HFABRN COc1ccc(CNC(=O)CN(C(=O)c2csnn2)c2ccc(F)cc2)cc1 ZINC000015935861 560857418 /nfs/dbraw/zinc/85/74/18/560857418.db2.gz PMZZBQYXWNBNQX-UHFFFAOYSA-N 0 0 400.435 2.649 40 0 HFABRN CC(C)(C)[C@@H]1CCc2c(C(=O)NN3C(=O)[C@H]4[C@H]5CC[C@H](O5)[C@@H]4C3=O)csc2C1 ZINC000017082463 560862154 /nfs/dbraw/zinc/86/21/54/560862154.db2.gz PSXHFTHTVFDMEV-DYOCQVBASA-N 0 0 402.516 2.706 40 0 HFABRN Cc1nn(CCNC(=O)[C@@H](C(C)C)N2C(=O)[C@H]3CC[C@@](C)(C2=O)C3(C)C)c(C)c1C ZINC000019557175 560874095 /nfs/dbraw/zinc/87/40/95/560874095.db2.gz LPIBKLMPVAHALT-PNCHPQGNSA-N 0 0 416.566 2.760 40 0 HFABRN CCOC(=O)[C@]1(CCSC)N[C@H](c2ccc(Cl)cc2)[C@H]2C(=O)N(CC)C(=O)[C@H]21 ZINC000019526805 560874530 /nfs/dbraw/zinc/87/45/30/560874530.db2.gz MROGXIPUVMLBPY-ZFCANOHDSA-N 0 0 424.950 2.660 40 0 HFABRN Nc1cc(NC(=O)c2cccc(I)c2)ccc1N1CCOCC1 ZINC000020154052 560876158 /nfs/dbraw/zinc/87/61/58/560876158.db2.gz JUBYQHLYJOLJPL-UHFFFAOYSA-N 0 0 423.254 2.962 40 0 HFABRN CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)CC)N3CCOCC3)cc2c1 ZINC000019941456 560877213 /nfs/dbraw/zinc/87/72/13/560877213.db2.gz YOWCIINISPRIES-IBGZPJMESA-N 0 0 410.522 2.644 40 0 HFABRN Cc1ccc([C@@H](c2nnnn2C(C)(C)C)N2CCN(C(=O)c3ccco3)CC2)cc1 ZINC000020139259 560880998 /nfs/dbraw/zinc/88/09/98/560880998.db2.gz UJMBDKCESWTPPO-IBGZPJMESA-N 0 0 408.506 2.877 40 0 HFABRN COCCn1nnnc1[C@H](c1ccc(C)cc1)N1CCN(c2ccccc2F)CC1 ZINC000020140246 560881298 /nfs/dbraw/zinc/88/12/98/560881298.db2.gz OFXDPSUMNCTCIZ-NRFANRHFSA-N 0 0 410.497 2.679 40 0 HFABRN C[C@H]1CCCC[C@@H]1NC(=O)CC[C@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O ZINC000036589800 560882002 /nfs/dbraw/zinc/88/20/02/560882002.db2.gz WQEOLZRKYHJONI-CWRNSKLLSA-N 0 0 401.463 2.515 40 0 HFABRN CC(C)COC(=O)[C@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OCC(C)C)[C@H]1c1ccc(O)cc1 ZINC000004029956 560892626 /nfs/dbraw/zinc/89/26/26/560892626.db2.gz FVYWGRKLKFZUCH-GJPOJAMWSA-N 0 0 420.502 2.830 40 0 HFABRN COCCNS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1 ZINC000020767063 568459069 /nfs/dbraw/zinc/45/90/69/568459069.db2.gz QDPHUTOVRQPSJJ-UHFFFAOYSA-N 0 0 408.907 2.858 40 0 HFABRN O=C(c1cccc(Cl)c1)N1CCCc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000020767290 568459111 /nfs/dbraw/zinc/45/91/11/568459111.db2.gz JCPDUDVJOLXCFW-UHFFFAOYSA-N 0 0 420.918 2.954 40 0 HFABRN CC[C@@H](Oc1ccccc1C)C(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000216358185 568464638 /nfs/dbraw/zinc/46/46/38/568464638.db2.gz GOHZQWMYGWBNAG-HXUWFJFHSA-N 0 0 416.543 2.994 40 0 HFABRN CC[C@@H](C(=O)NCc1nc(-c2cccs2)no1)N(c1ccccc1)S(C)(=O)=O ZINC000219089879 568486715 /nfs/dbraw/zinc/48/67/15/568486715.db2.gz QTBJFBWXJKULMX-AWEZNQCLSA-N 0 0 420.516 2.659 40 0 HFABRN COc1ccc(CCCNC(=O)CCCN(c2ccccc2)S(C)(=O)=O)cc1 ZINC000219167529 568487564 /nfs/dbraw/zinc/48/75/64/568487564.db2.gz MUXVABLCERYSTP-UHFFFAOYSA-N 0 0 404.532 2.990 40 0 HFABRN COc1ccc(-c2noc(CNC(=O)[C@@H](C)Oc3ccccc3OC)n2)c(OC)c1 ZINC000219505839 568493610 /nfs/dbraw/zinc/49/36/10/568493610.db2.gz NFVIZNVBUWUDLV-CYBMUJFWSA-N 0 0 413.430 2.846 40 0 HFABRN Cc1cc2cc([C@@H](c3nnnn3C3CCCC3)N3CCC(O)CC3)c(=O)[nH]c2cc1C ZINC000057589940 568493780 /nfs/dbraw/zinc/49/37/80/568493780.db2.gz LMQNBSJYJDGNEH-NRFANRHFSA-N 0 0 422.533 2.793 40 0 HFABRN Cc1ccc(OC[C@@H](C)NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000219698210 568497319 /nfs/dbraw/zinc/49/73/19/568497319.db2.gz HYSCQOLNWBAUIT-OAHLLOKOSA-N 0 0 410.923 2.853 40 0 HFABRN CN(CCNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000219755567 568498181 /nfs/dbraw/zinc/49/81/81/568498181.db2.gz HAMKACUYGWMPDJ-LJQANCHMSA-N 0 0 421.950 2.746 40 0 HFABRN Cc1ccc(OC[C@H](C)NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cc1 ZINC000219978711 568500868 /nfs/dbraw/zinc/50/08/68/568500868.db2.gz DLYJNRZUILKVSH-KRWDZBQOSA-N 0 0 402.516 2.977 40 0 HFABRN CCOC(=O)C1CCN(C(=O)c2cccc(S(=O)(=O)N3CCC(C)CC3)c2)CC1 ZINC000219997813 568501102 /nfs/dbraw/zinc/50/11/02/568501102.db2.gz SYJQOIDCRTWIGR-UHFFFAOYSA-N 0 0 422.547 2.523 40 0 HFABRN COc1cccc(N([C@@H](C)C(=O)NCCCc2cccc(C)c2)S(C)(=O)=O)c1 ZINC000220178566 568503127 /nfs/dbraw/zinc/50/31/27/568503127.db2.gz JQXIVDCAYJKCLX-KRWDZBQOSA-N 0 0 404.532 2.907 40 0 HFABRN COc1ccc(OC)c(N([C@@H](C)C(=O)N[C@@H](C)c2ccccc2)S(C)(=O)=O)c1 ZINC000220205090 568503415 /nfs/dbraw/zinc/50/34/15/568503415.db2.gz HCILAORKLQTVEM-GJZGRUSLSA-N 0 0 406.504 2.736 40 0 HFABRN COc1ccc(N([C@@H](C)C(=O)NC(C(C)C)C(C)C)S(C)(=O)=O)cc1OC ZINC000220230679 568503682 /nfs/dbraw/zinc/50/36/82/568503682.db2.gz PAIPNBZOWNKINX-AWEZNQCLSA-N 0 0 400.541 2.655 40 0 HFABRN CCc1ccc(N([C@H](C)C(=O)Nc2ccccc2C(=O)OC)S(C)(=O)=O)cc1 ZINC000220263957 568504055 /nfs/dbraw/zinc/50/40/55/568504055.db2.gz NGROABYKZRQFEE-CQSZACIVSA-N 0 0 404.488 2.829 40 0 HFABRN C[C@H](C(=O)NCCSCc1ccco1)N(c1ccccc1F)S(C)(=O)=O ZINC000220302433 568504480 /nfs/dbraw/zinc/50/44/80/568504480.db2.gz NNPXVXPXAGUZCK-CYBMUJFWSA-N 0 0 400.497 2.623 40 0 HFABRN COc1ccc(CCCNC(=O)[C@@H](C)N(c2ccccc2F)S(C)(=O)=O)cc1 ZINC000220313780 568504604 /nfs/dbraw/zinc/50/46/04/568504604.db2.gz MYLNWROTGADJMR-OAHLLOKOSA-N 0 0 408.495 2.738 40 0 HFABRN COc1ccc(OC)c(NC(=O)[C@@H](C)N(c2ccc(F)c(F)c2)S(C)(=O)=O)c1 ZINC000220444562 568505686 /nfs/dbraw/zinc/50/56/86/568505686.db2.gz ZKEYQLYYFKFYHS-LLVKDONJSA-N 0 0 414.430 2.775 40 0 HFABRN C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)N(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000220450554 568505724 /nfs/dbraw/zinc/50/57/24/568505724.db2.gz CJBSBZBTCSXCPA-NSHDSACASA-N 0 0 412.414 2.529 40 0 HFABRN COc1ccc(CCCNC(=O)[C@@H](C)N(c2cccc(F)c2)S(C)(=O)=O)cc1 ZINC000220482800 568506016 /nfs/dbraw/zinc/50/60/16/568506016.db2.gz VIIHIAYHHJOAOT-OAHLLOKOSA-N 0 0 408.495 2.738 40 0 HFABRN CC[C@H](C(=O)N1CCN(c2ccccc2)CC1)N(c1cccc(C)c1)S(C)(=O)=O ZINC000220499499 568506200 /nfs/dbraw/zinc/50/62/00/568506200.db2.gz XIYPIGVBJLOZIZ-OAQYLSRUSA-N 0 0 415.559 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568516368 /nfs/dbraw/zinc/51/63/68/568516368.db2.gz BBALTSRKSRVMOX-UHFFFAOYSA-N 0 0 403.504 2.783 40 0 HFABRN Cc1cccc(-c2noc(CNC(=O)c3ccc(N(C)S(C)(=O)=O)c(C)c3)n2)c1 ZINC000222486030 568516523 /nfs/dbraw/zinc/51/65/23/568516523.db2.gz YXQYAMMTXWFCEY-UHFFFAOYSA-N 0 0 414.487 2.679 40 0 HFABRN COC(=O)c1ccc(C)c(NC(=O)c2cccc(N3CCCCS3(=O)=O)c2)c1 ZINC000222552586 568518059 /nfs/dbraw/zinc/51/80/59/568518059.db2.gz AQAVNXIUWQSDNU-UHFFFAOYSA-N 0 0 402.472 2.964 40 0 HFABRN Cc1cc(C)cc(N(CCCC(=O)NCc2ccc3c(c2)OCO3)S(C)(=O)=O)c1 ZINC000222570610 568518706 /nfs/dbraw/zinc/51/87/06/568518706.db2.gz RFYKKNJCMOEUHB-UHFFFAOYSA-N 0 0 418.515 2.895 40 0 HFABRN CCS(=O)(=O)N1CCC[C@@H](C(=O)NCCSCc2c(F)cccc2Cl)C1 ZINC000222609988 568520472 /nfs/dbraw/zinc/52/04/72/568520472.db2.gz AWKYZKXBCDDOOI-CYBMUJFWSA-N 0 0 422.975 2.890 40 0 HFABRN Cc1ccc(N2C(=O)[C@H]3[C@H]4CCCN4[C@@]4(C(=O)Nc5ccc(F)cc54)[C@@H]3C2=O)cc1 ZINC000033772636 568520743 /nfs/dbraw/zinc/52/07/43/568520743.db2.gz ZPXAYNDLMJTIIK-GKAYAJSDSA-N 0 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CC[C@@H](Oc1ccccc1OC)C(=O)N1CCC[C@H](c2nn(C)c3nccnc23)C1 ZINC000012365163 558387603 /nfs/dbraw/zinc/38/76/03/558387603.db2.gz LWYBINZDVQSQDU-JKSUJKDBSA-N 0 0 409.490 2.936 40 0 HFABRN COc1ccc2c(CN3CCc4c(=O)[nH]c(-c5ccncc5)nc4C3)cn(C)c2c1 ZINC000012666576 558445130 /nfs/dbraw/zinc/44/51/30/558445130.db2.gz JXMFOWKEYJPUDX-UHFFFAOYSA-N 0 0 401.470 2.891 40 0 HFABRN CC[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(OC)cc1 ZINC000021836434 558451466 /nfs/dbraw/zinc/45/14/66/558451466.db2.gz BKJBZTXJNYDYJE-HXUWFJFHSA-N 0 0 418.515 2.597 40 0 HFABRN O=S(=O)(NCCc1ccc(S(=O)(=O)NC2CCCCC2)cc1)c1ccccc1 ZINC000022227691 558467507 /nfs/dbraw/zinc/46/75/07/558467507.db2.gz VITDCYCAGMNCIT-UHFFFAOYSA-N 0 0 422.572 2.819 40 0 HFABRN CCOc1ccc2c(c1)c(=O)c(C(=O)NCCc1ccc(OC)c(OC)c1)cn2C ZINC000022237129 558471055 /nfs/dbraw/zinc/47/10/55/558471055.db2.gz MLBQFRZMNPXSFQ-UHFFFAOYSA-N 0 0 410.470 2.927 40 0 HFABRN CCN(c1cc(OC)c(OC)cc1C(=O)Nc1cccc(C(C)=O)c1)S(C)(=O)=O ZINC000022252094 558473600 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O=C(NCCSCc1ccco1)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000032981317 558757761 /nfs/dbraw/zinc/75/77/61/558757761.db2.gz BLBDTXHVFKMZNN-INIZCTEOSA-N 0 0 408.545 2.730 40 0 HFABRN COc1ccc(CNC(=O)CN(C(=O)c2csnn2)c2ccccc2F)cc1 ZINC000015935352 558762957 /nfs/dbraw/zinc/76/29/57/558762957.db2.gz AFYDBGSVFJNTLL-UHFFFAOYSA-N 0 0 400.435 2.649 40 0 HFABRN COc1ccc(C(=O)Nc2cccc(Br)c2)cc1S(=O)(=O)N(C)C ZINC000016028303 558769104 /nfs/dbraw/zinc/76/91/04/558769104.db2.gz DPTHJTGORGCTPX-UHFFFAOYSA-N 0 0 413.293 2.960 40 0 HFABRN CCN(CC(=O)Nc1cccc(C(C)=O)c1)S(=O)(=O)c1cc(C)ccc1OC ZINC000033657734 558770739 /nfs/dbraw/zinc/77/07/39/558770739.db2.gz QHRDIEOATLAWLG-UHFFFAOYSA-N 0 0 404.488 2.856 40 0 HFABRN COc1ccccc1NC(=O)COc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000016248122 558780733 /nfs/dbraw/zinc/78/07/33/558780733.db2.gz IRYBWJIFACGMJN-UHFFFAOYSA-N 0 0 404.488 2.887 40 0 HFABRN Cc1cc(Cl)ccc1NC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000016282528 558783342 /nfs/dbraw/zinc/78/33/42/558783342.db2.gz MKTZNYHUPVOZIA-UHFFFAOYSA-N 0 0 424.906 2.687 40 0 HFABRN COc1ccccc1N1CCN(C(=O)Cn2c(=O)c3ccccc3nc2C2CC2)CC1 ZINC000035311206 558789741 /nfs/dbraw/zinc/78/97/41/558789741.db2.gz FDSBDJCQJZLAFQ-UHFFFAOYSA-N 0 0 418.497 2.631 40 0 HFABRN Cc1cc(NC(=O)CSc2nnc3n2c2ccccc2c(=O)n3CC(C)C)no1 ZINC000035315652 558789995 /nfs/dbraw/zinc/78/99/95/558789995.db2.gz GESVGQKSPMXXGI-UHFFFAOYSA-N 0 0 412.475 2.727 40 0 HFABRN COC(=O)CN(C(=O)C[C@@H]1SC(=O)N(c2ccc(F)cc2)C1=O)c1ccccc1 ZINC000016692389 558800203 /nfs/dbraw/zinc/80/02/03/558800203.db2.gz XIEQAHTYNXVBRW-INIZCTEOSA-N 0 0 416.430 2.990 40 0 HFABRN CCOc1ccc(S(=O)(=O)N(C)CC(=O)NCCc2ccccc2)cc1Cl ZINC000016692532 558800364 /nfs/dbraw/zinc/80/03/64/558800364.db2.gz JGWQGMSTAXPGAE-UHFFFAOYSA-N 0 0 410.923 2.718 40 0 HFABRN CC[C@@H](Oc1cc(C)ccc1C)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000038756425 558814784 /nfs/dbraw/zinc/81/47/84/558814784.db2.gz GUGNFLPEPHJNMH-HXUWFJFHSA-N 0 0 416.543 2.994 40 0 HFABRN COc1ccc(N(CC(=O)N[C@@H](C)c2ccc(C)cc2)S(C)(=O)=O)cc1OC ZINC000038756412 558814789 /nfs/dbraw/zinc/81/47/89/558814789.db2.gz RGERHAHMWBMOIM-HNNXBMFYSA-N 0 0 406.504 2.656 40 0 HFABRN Cc1ccc(CSCCNC(=O)[C@H]2CN(S(C)(=O)=O)c3ccccc3O2)cc1 ZINC000038837309 558818150 /nfs/dbraw/zinc/81/81/50/558818150.db2.gz JZDJAVHEMVYXNR-LJQANCHMSA-N 0 0 420.556 2.572 40 0 HFABRN CC(C)NC(=O)CN1CCN(Cc2nc3ccccc3n2Cc2ccccc2)CC1 ZINC000038908469 558819816 /nfs/dbraw/zinc/81/98/16/558819816.db2.gz RSXBYHQPWKCNBU-UHFFFAOYSA-N 0 0 405.546 2.727 40 0 HFABRN NC(=O)c1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC000017481523 558827423 /nfs/dbraw/zinc/82/74/23/558827423.db2.gz YFFANDFUIQBFHK-UHFFFAOYSA-N 0 0 421.906 2.866 40 0 HFABRN COc1ccccc1[C@@H](C)NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCC2)c1 ZINC000017970627 558829044 /nfs/dbraw/zinc/82/90/44/558829044.db2.gz FUTGHNVNVWFYQU-OAHLLOKOSA-N 0 0 418.515 2.979 40 0 HFABRN Cc1ccc(OCCNC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 ZINC000018074894 558830493 /nfs/dbraw/zinc/83/04/93/558830493.db2.gz WUBGLASKRUJVNF-UHFFFAOYSA-N 0 0 402.516 2.591 40 0 HFABRN O=C(C1CCC1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(C(=O)C1CCCC1)CC2 ZINC000019014553 558836833 /nfs/dbraw/zinc/83/68/33/558836833.db2.gz ZYBABTFHPGRVAB-LJQANCHMSA-N 0 0 412.534 2.699 40 0 HFABRN COc1ccc(OC)c(CC(=O)N2CCC[C@@H]([C@@H](NC(C)=O)c3ccccn3)C2)c1 ZINC000019020188 558837810 /nfs/dbraw/zinc/83/78/10/558837810.db2.gz XRRHBAVSMYVWMM-UZUQRXQVSA-N 0 0 411.502 2.757 40 0 HFABRN CC(C)C(=O)N1CCC[C@@H](c2nc(N3CCN(C)CC3)ncc2-c2ccncc2)C1 ZINC000019085442 558841121 /nfs/dbraw/zinc/84/11/21/558841121.db2.gz MVNVRXVMJIFCKU-LJQANCHMSA-N 0 0 408.550 2.652 40 0 HFABRN Cc1cc(C(=O)N2CCC(c3cc4nc5c(c(=O)n4[n-]3)C[N@H+](C(C)C)CC5)CC2)on1 ZINC000019119739 558842880 /nfs/dbraw/zinc/84/28/80/558842880.db2.gz LHFMGYYSYKMLIA-UHFFFAOYSA-N 0 0 424.505 2.518 40 0 HFABRN Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H](C1CCN(C(=O)COc3cccnc3)CC1)N2 ZINC000019128791 558845053 /nfs/dbraw/zinc/84/50/53/558845053.db2.gz AEHGKQBVUACEJQ-DLBZAZTESA-N 0 0 405.449 2.895 40 0 HFABRN COc1ccc(C)cc1CC(=O)N1CCN(Cc2cc(-c3cccnc3)nn2C)CC1 ZINC000019133059 558845751 /nfs/dbraw/zinc/84/57/51/558845751.db2.gz ZOIBNVAHNBJCAR-UHFFFAOYSA-N 0 0 419.529 2.686 40 0 HFABRN COc1ncccc1-c1cc(=O)[nH]c([C@@H]2CCN(C(=O)Cc3ccc(C)cc3)C2)n1 ZINC000019209276 558847921 /nfs/dbraw/zinc/84/79/21/558847921.db2.gz PQVDKELEZBNVEG-QGZVFWFLSA-N 0 0 404.470 2.708 40 0 HFABRN Cc1ccc(CN(C)CC(=O)Nc2ccc([C@H]3NC(=O)c4cccnc4N3C)cc2)o1 ZINC000019216415 558850388 /nfs/dbraw/zinc/85/03/88/558850388.db2.gz FLVAKQAOUGSRGH-NRFANRHFSA-N 0 0 419.485 2.932 40 0 HFABRN Cc1ccc2c(c1)C(=O)NCC1(CCN(C(=O)CCc3cc(Cl)no3)CC1)O2 ZINC000019219105 558851293 /nfs/dbraw/zinc/85/12/93/558851293.db2.gz LMICNUIWEHOPKE-UHFFFAOYSA-N 0 0 403.866 2.753 40 0 HFABRN Cc1cccc(CS(=O)(=O)N2CC(n3nc(-c4cccs4)ccc3=O)C2)c1 ZINC000019235086 558854185 /nfs/dbraw/zinc/85/41/85/558854185.db2.gz MKEAAGQHFNBEJB-UHFFFAOYSA-N 0 0 401.513 2.667 40 0 HFABRN Cc1cccc2c3c([nH]c21)CCN(C(=O)CN1C(=O)N[C@@]2(CCCC[C@@H]2C)C1=O)C3 ZINC000019236565 558855701 /nfs/dbraw/zinc/85/57/01/558855701.db2.gz YXPRHPZYMGNWHV-NPMXOYFQSA-N 0 0 408.502 2.862 40 0 HFABRN Cc1cccc2c(C[C@H](C)NS(=O)(=O)c3ccc4c(c3)n(C)c(=O)n4C)c[nH]c21 ZINC000019236649 558855786 /nfs/dbraw/zinc/85/57/86/558855786.db2.gz OYPZWOUFVGVFJS-AWEZNQCLSA-N 0 0 412.515 2.576 40 0 HFABRN Cc1ccn2cc(C(=O)N3CCN([C@H](c4nccn4C)c4ccccc4)CC3)nc2c1 ZINC000019238175 558857200 /nfs/dbraw/zinc/85/72/00/558857200.db2.gz OXMHDEMMLLEVEH-QFIPXVFZSA-N 0 0 414.513 2.924 40 0 HFABRN COc1ccc2nc(NC(=O)CN3CCN(Cc4csc(C)n4)CC3)sc2c1 ZINC000019285600 558860158 /nfs/dbraw/zinc/86/01/58/558860158.db2.gz MZIWBTARNGHZIY-UHFFFAOYSA-N 0 0 417.560 2.826 40 0 HFABRN Cn1nccc1C(=O)N1CCO[C@H](c2nc(Cc3cccc(C(F)(F)F)c3)no2)C1 ZINC000019289154 558862018 /nfs/dbraw/zinc/86/20/18/558862018.db2.gz OMZXPMYSXDLXLK-HNNXBMFYSA-N 0 0 421.379 2.626 40 0 HFABRN O=S(=O)(c1cccc(Cl)c1)N1CCC[C@@H](c2nnc(-c3cnccn3)o2)C1 ZINC000019293472 558865282 /nfs/dbraw/zinc/86/52/82/558865282.db2.gz NVMDGWOMRVKAMF-GFCCVEGCSA-N 0 0 405.867 2.748 40 0 HFABRN CCOC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000053898893 558865484 /nfs/dbraw/zinc/86/54/84/558865484.db2.gz VPYCAHMZJRKSLG-MRXNPFEDSA-N 0 0 416.499 2.903 40 0 HFABRN NC(=O)[C@]1(Cc2cccc(-c3cccc(F)c3)c2)CN(C(=O)c2cccnc2)CCO1 ZINC000019331371 558868404 /nfs/dbraw/zinc/86/84/04/558868404.db2.gz GBDKCBBSLVWHAS-DEOSSOPVSA-N 0 0 419.456 2.827 40 0 HFABRN O=C(CCc1ccncc1)N1CCNC(=O)[C@@H](Cc2ccc(-c3cccnc3)cc2)C1 ZINC000019340721 558871668 /nfs/dbraw/zinc/87/16/68/558871668.db2.gz GZDBVZDAQGYTFD-QHCPKHFHSA-N 0 0 414.509 2.894 40 0 HFABRN O=S(=O)(c1cccc(F)c1)N1CCO[C@H](c2nc(Cc3ccccc3F)no2)C1 ZINC000019349737 558875392 /nfs/dbraw/zinc/87/53/92/558875392.db2.gz CVCZTLOKPMOXPK-KRWDZBQOSA-N 0 0 421.425 2.701 40 0 HFABRN O=S(=O)(c1ccccc1)N1CCO[C@@H](c2nc(Cc3ccccc3F)no2)C1 ZINC000019373673 558880893 /nfs/dbraw/zinc/88/08/93/558880893.db2.gz IQNYKSCXNFFDAT-QGZVFWFLSA-N 0 0 403.435 2.562 40 0 HFABRN O=C(c1cnn2cccnc12)N1CCC(c2nc(-c3ccsc3)cc(=O)[nH]2)CC1 ZINC000019404226 558884326 /nfs/dbraw/zinc/88/43/26/558884326.db2.gz URYLHRKXWQXOGC-UHFFFAOYSA-N 0 0 406.471 2.561 40 0 HFABRN CC(C)c1nc(N2CCC(NC(=O)Cn3cccn3)CC2)ncc1-c1ccncc1 ZINC000019451635 558889674 /nfs/dbraw/zinc/88/96/74/558889674.db2.gz XJWSVGFFVCKWRQ-UHFFFAOYSA-N 0 0 405.506 2.644 40 0 HFABRN CN(C)[C@H](CNS(=O)(=O)c1ccc2c(c1)CCC(=O)N2)c1ccccc1Cl ZINC000057823176 558891174 /nfs/dbraw/zinc/89/11/74/558891174.db2.gz RGUVUBSCYWRSJJ-GOSISDBHSA-N 0 0 407.923 2.806 40 0 HFABRN C[C@H]1CCCN(c2nc3c(c(=O)[nH]2)CN(Cc2cccn2-c2cccnc2)CC3)C1 ZINC000019496578 558895492 /nfs/dbraw/zinc/89/54/92/558895492.db2.gz VFZIJFMYBXJZOQ-KRWDZBQOSA-N 0 0 404.518 2.750 40 0 HFABRN CC[C@@H](C)C(=O)N1CCC[C@H](c2cc(=O)[nH]c(C3CCN(C(=O)C4CC4)CC3)n2)C1 ZINC000019499790 558897891 /nfs/dbraw/zinc/89/78/91/558897891.db2.gz AWVZQYNYGZVSEI-QAPCUYQASA-N 0 0 414.550 2.638 40 0 HFABRN CCc1c(C)sc2ncn(C3CCN(C(=O)CCN4CCCC4=O)CC3)c(=O)c12 ZINC000019521827 558902948 /nfs/dbraw/zinc/90/29/48/558902948.db2.gz TVPXKJNALBSNPX-UHFFFAOYSA-N 0 0 416.547 2.505 40 0 HFABRN CCCc1cc(C(=O)N2CCC[C@H](C3=NS(=O)(=O)c4ccccc4N3)C2)no1 ZINC000019525306 558906719 /nfs/dbraw/zinc/90/67/19/558906719.db2.gz XBOXRUPYQXELOX-ZDUSSCGKSA-N 0 0 402.476 2.692 40 0 HFABRN CCOC(=O)[C@]1(c2ccccc2)N[C@@H](c2ccc(F)cc2)[C@H]2C(=O)N(CC)C(=O)[C@H]21 ZINC000019526841 558907853 /nfs/dbraw/zinc/90/78/53/558907853.db2.gz YVDVGIADJXECDG-KEXUJGGDSA-N 0 0 410.445 2.550 40 0 HFABRN CCNC(=O)[C@]1(Cc2cccc(-c3cccs3)c2)CCN(C(=O)Cn2cncn2)C1 ZINC000019528951 558910431 /nfs/dbraw/zinc/91/04/31/558910431.db2.gz FLWIPUZKJMLXJD-QFIPXVFZSA-N 0 0 423.542 2.604 40 0 HFABRN CCOc1ccc(CC(=O)N2CC[C@H](c3cc(=O)[nH]c(-c4ccncc4)n3)C2)cc1 ZINC000019532798 558912868 /nfs/dbraw/zinc/91/28/68/558912868.db2.gz BHKHECUVBWNDDI-SFHVURJKSA-N 0 0 404.470 2.789 40 0 HFABRN COc1cc(CCC(=O)N2CCC(C(=O)c3cnn(-c4ccccc4)c3N)CC2)on1 ZINC000019550405 558915016 /nfs/dbraw/zinc/91/50/16/558915016.db2.gz JLNVRHHGEDAGGH-UHFFFAOYSA-N 0 0 423.473 2.505 40 0 HFABRN CCC[NH+]1CCC2(CC1)OC[C@@H](C(=O)[O-])N2C(=O)c1cccc(C(F)(F)F)c1 ZINC000071980333 558916995 /nfs/dbraw/zinc/91/69/95/558916995.db2.gz QJGKGIUNGZMHQM-HNNXBMFYSA-N 0 0 400.397 2.833 40 0 HFABRN COc1ccc(C(=O)N2[C@@H](C(=O)[O-])COC23CC[NH+](Cc2ccccc2)CC3)cc1 ZINC000071980565 558917327 /nfs/dbraw/zinc/91/73/27/558917327.db2.gz ILXDMYJCRZWMDP-HXUWFJFHSA-N 0 0 410.470 2.613 40 0 HFABRN Cc1nn(C[C@H](C)C(=O)Nc2ccc(OCCN3CCOCC3)cc2)c(C)c1C ZINC000019556989 558919234 /nfs/dbraw/zinc/91/92/34/558919234.db2.gz QGUOVIVGBVXWMP-INIZCTEOSA-N 0 0 400.523 2.794 40 0 HFABRN COc1ccc([C@@H]2CCCN2C(=O)C[C@@H]2C(=O)NCCN2C2CCCC2)cc1OC ZINC000019560222 558921380 /nfs/dbraw/zinc/92/13/80/558921380.db2.gz UCMTUTHHKGSMSL-RBUKOAKNSA-N 0 0 415.534 2.500 40 0 HFABRN COc1ccc2[nH]c(C(=O)N3CCC[C@H](c4[nH]nc5nccnc54)C3)cc2c1OC ZINC000019563755 558923979 /nfs/dbraw/zinc/92/39/79/558923979.db2.gz WBYSODQEYHIXTO-LBPRGKRZSA-N 0 0 406.446 2.871 40 0 HFABRN COc1cccc(-c2nccc3ccn(CC(=O)NCCCN4CCOCC4)c32)c1 ZINC000019566553 558926106 /nfs/dbraw/zinc/92/61/06/558926106.db2.gz IGUYAKWUFDSPET-UHFFFAOYSA-N 0 0 408.502 2.550 40 0 HFABRN Cc1nn(C(F)F)c(C)c1S(=O)(=O)NCc1cccc(OC[C@H]2CCCO2)c1 ZINC000019577630 558933520 /nfs/dbraw/zinc/93/35/20/558933520.db2.gz DWZPMNSEDXTJDA-MRXNPFEDSA-N 0 0 415.462 2.931 40 0 HFABRN Cc1ccc2c(c1)N[C@@]1(CCC(=O)N([C@H](C)C(=O)N3CCCC[C@@H]3C)CC1)NC2=O ZINC000072327941 558934289 /nfs/dbraw/zinc/93/42/89/558934289.db2.gz YLNRDGGNZUSDDB-MFEFFIJZSA-N 0 0 412.534 2.649 40 0 HFABRN COc1cc(CCC(=O)N2CCC[C@H]2c2nc(C)c(Cc3ccccc3)c(=O)[nH]2)on1 ZINC000019579242 558934916 /nfs/dbraw/zinc/93/49/16/558934916.db2.gz VBBKOJCCYCTEBU-IBGZPJMESA-N 0 0 422.485 2.962 40 0 HFABRN COc1cccc(OC)c1C(=O)N1CCCC[C@H]2CN(C(=O)C[C@@H]3CCCO3)C[C@H]21 ZINC000072330618 558935138 /nfs/dbraw/zinc/93/51/38/558935138.db2.gz IXCLADJAXGIXPK-OKZBNKHCSA-N 0 0 416.518 2.726 40 0 HFABRN CCc1nn(CC(=O)NCCc2ccc(OC)cc2)c(=O)c2cc3sccc3n21 ZINC000072334626 558935580 /nfs/dbraw/zinc/93/55/80/558935580.db2.gz QYQAUGBOPZUHKE-UHFFFAOYSA-N 0 0 410.499 2.641 40 0 HFABRN CN(C)C(=O)[C@]1(Cc2cccc(-c3ccncc3)c2)CCN(C(=O)[C@@H]2CCCO2)C1 ZINC000019579875 558935632 /nfs/dbraw/zinc/93/56/32/558935632.db2.gz DPBZFPFZPVJVMM-URXFXBBRSA-N 0 0 407.514 2.777 40 0 HFABRN CN(C)C(=O)[C@]1(Cc2cccc(-c3ccncc3)c2)CCN(C(=O)[C@H]2CCCO2)C1 ZINC000019579881 558935658 /nfs/dbraw/zinc/93/56/58/558935658.db2.gz DPBZFPFZPVJVMM-QPPBQGQZSA-N 0 0 407.514 2.777 40 0 HFABRN CCCC(=O)N1CCC[C@H](c2nc(N3CCN(C)CC3)ncc2-c2cccnc2)C1 ZINC000072338450 558938277 /nfs/dbraw/zinc/93/82/77/558938277.db2.gz USGUCNKZFHIZJX-IBGZPJMESA-N 0 0 408.550 2.797 40 0 HFABRN COc1cc(CC(=O)N2CCC[C@@H]2c2n[nH]cc2-c2ccnc(N(C)C)n2)ccc1O ZINC000019585808 558939276 /nfs/dbraw/zinc/93/92/76/558939276.db2.gz GDCQTJXSHFMMNT-QGZVFWFLSA-N 0 0 422.489 2.553 40 0 HFABRN CN1CCN(c2nccc(CN(CCc3ccccc3)Cc3ccccn3)n2)CC1 ZINC000019590138 558940628 /nfs/dbraw/zinc/94/06/28/558940628.db2.gz RPPNZQLNOAQWDB-UHFFFAOYSA-N 0 0 402.546 2.868 40 0 HFABRN COc1ccc(NC(=O)CN2CCCC[C@H]2c2ncc(C(=O)N(C)C)c(C)n2)cc1 ZINC000072345463 558941818 /nfs/dbraw/zinc/94/18/18/558941818.db2.gz POOCDSJBURWPEJ-IBGZPJMESA-N 0 0 411.506 2.661 40 0 HFABRN COc1ccccc1C1(NC(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(C(C)C)C(=O)[C@@H]24)O3)CCCC1 ZINC000072346500 558943314 /nfs/dbraw/zinc/94/33/14/558943314.db2.gz PTQSMQJLJJPABY-KTIHBUSBSA-N 0 0 410.514 2.771 40 0 HFABRN C[C@H]1CCCC[C@H]1NC(=O)CN1c2c(cnn2-c2ccc(F)cc2)C2=NCCN2C1=O ZINC000072347773 558944966 /nfs/dbraw/zinc/94/49/66/558944966.db2.gz CYYQDAIBCICNTB-KBXCAEBGSA-N 0 0 424.480 2.709 40 0 HFABRN COc1cccc(Cc2cccc(C3CCN(C(=O)CN4CCOCC4)CC3)n2)c1 ZINC000072349714 558946737 /nfs/dbraw/zinc/94/67/37/558946737.db2.gz FMPFZXYBEHAFPR-UHFFFAOYSA-N 0 0 409.530 2.719 40 0 HFABRN CN(C)C(=O)c1sc2ccccc2c1[C@H]1CCN(S(=O)(=O)c2cnn(C)c2)C1 ZINC000072352340 558948612 /nfs/dbraw/zinc/94/86/12/558948612.db2.gz LLZDDOZVFFHVBK-ZDUSSCGKSA-N 0 0 418.544 2.515 40 0 HFABRN NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccc2c(c1)nnn2C1CCCCC1 ZINC000019656059 558949278 /nfs/dbraw/zinc/94/92/78/558949278.db2.gz OBLNKCSWMQLHTQ-NRFANRHFSA-N 0 0 403.486 2.989 40 0 HFABRN CC(C)NC(=O)c1cc([C@@H]2CN(C(=O)Cc3ccccn3)CCO2)nc2ccccc21 ZINC000072352702 558949470 /nfs/dbraw/zinc/94/94/70/558949470.db2.gz SZMCRJVMSZEPPK-QFIPXVFZSA-N 0 0 418.497 2.911 40 0 HFABRN COc1ccccc1N1CCN(CC(=O)Nc2nc3c(s2)CCCC3)[C@@H](C)C1=O ZINC000019657899 558949849 /nfs/dbraw/zinc/94/98/49/558949849.db2.gz HPBRUKADFXRULE-AWEZNQCLSA-N 0 0 414.531 2.706 40 0 HFABRN CN(C)S(=O)(=O)c1ccc(CNC(=O)c2cc(-c3ccc(F)cc3)no2)cc1 ZINC000019659440 558950954 /nfs/dbraw/zinc/95/09/54/558950954.db2.gz BXGWQUCRILDZBZ-UHFFFAOYSA-N 0 0 403.435 2.661 40 0 HFABRN CC(C)N1C[C@H](C(=O)Nc2ccc(-c3csc(N4CCOCC4)n3)cc2)CC1=O ZINC000019659553 558950959 /nfs/dbraw/zinc/95/09/59/558950959.db2.gz GAXPXAKOGBNNAF-MRXNPFEDSA-N 0 0 414.531 2.842 40 0 HFABRN CC(=O)N1CC[C@H](c2c3ccccc3sc2C(=O)N2CCCN(C(C)=O)CC2)C1 ZINC000072356291 558953138 /nfs/dbraw/zinc/95/31/38/558953138.db2.gz RCXXGRIIYPHWCN-KRWDZBQOSA-N 0 0 413.543 2.932 40 0 HFABRN Cc1cccc(C2(C(=O)NC[C@@H](c3cccnc3)N3CCOCC3)CCOCC2)c1 ZINC000019662511 558953404 /nfs/dbraw/zinc/95/34/04/558953404.db2.gz NCJFKLKXNHJHAL-QFIPXVFZSA-N 0 0 409.530 2.628 40 0 HFABRN C[C@H]1CCCN(c2nc3c(c(=O)[nH]2)CN(C(=O)Cc2cccc4cccnc42)CC3)C1 ZINC000019662676 558953612 /nfs/dbraw/zinc/95/36/12/558953612.db2.gz WUFWSDLYELVXOG-INIZCTEOSA-N 0 0 417.513 2.682 40 0 HFABRN COc1cc(C)c(-c2csc(NC(=O)[C@@H]3CCCN(CC(N)=O)C3)n2)cc1C ZINC000019663665 558954334 /nfs/dbraw/zinc/95/43/34/558954334.db2.gz HVKVKNKDGUTMPS-CQSZACIVSA-N 0 0 402.520 2.571 40 0 HFABRN O=C(CN1CCOCC1)N1CCC[C@@H](c2nccnc2-c2cccc(Cl)c2)C1 ZINC000072358987 558954558 /nfs/dbraw/zinc/95/45/58/558954558.db2.gz VIEFDCMJAFSZTB-QGZVFWFLSA-N 0 0 400.910 2.835 40 0 HFABRN Cc1cc(C)nc(Nc2cc(C)nc([C@H]3CCCN(C(=O)c4cnccn4)C3)n2)n1 ZINC000072360020 558955541 /nfs/dbraw/zinc/95/55/41/558955541.db2.gz FPWRWIHKKMHDEY-INIZCTEOSA-N 0 0 404.478 2.745 40 0 HFABRN COc1ccc(CN2CCO[C@@H](c3ncncc3-c3ccnc(N)c3)C2)c(OC)c1 ZINC000072370850 558957425 /nfs/dbraw/zinc/95/74/25/558957425.db2.gz GGZMJSAKKOXIDQ-HXUWFJFHSA-N 0 0 407.474 2.712 40 0 HFABRN COCCN1CC=CC[C@H](C2CCN(S(=O)(=O)c3cc(C)ccc3F)CC2)C1=O ZINC000072371088 558957654 /nfs/dbraw/zinc/95/76/54/558957654.db2.gz XCOHYUPZIULDPY-GOSISDBHSA-N 0 0 424.538 2.586 40 0 HFABRN CN(C)c1ncc(-c2cccc(F)c2)c([C@@H]2CCCN2S(=O)(=O)N2CCCC2)n1 ZINC000019689740 558959213 /nfs/dbraw/zinc/95/92/13/558959213.db2.gz UTFZHMJZBGVDEN-SFHVURJKSA-N 0 0 419.526 2.826 40 0 HFABRN COc1cccc(-c2cnc(N(C)C)nc2[C@H]2CCCN2C(=O)CN2CCCC2=O)c1 ZINC000019690045 558959365 /nfs/dbraw/zinc/95/93/65/558959365.db2.gz ZLAMBLLVQVJWPG-LJQANCHMSA-N 0 0 423.517 2.504 40 0 HFABRN COCCN1CCCC[C@H](C2CCN(CC(=O)Nc3ccc(F)cc3)CC2)C1=O ZINC000072372041 558959490 /nfs/dbraw/zinc/95/94/90/558959490.db2.gz RCQJXYNLDWDVDX-HXUWFJFHSA-N 0 0 405.514 2.751 40 0 HFABRN Cc1cc(Cc2ccc(F)cc2)cc(C2CCN(C(=O)CCn3cnnn3)CC2)n1 ZINC000019691567 558960848 /nfs/dbraw/zinc/96/08/48/558960848.db2.gz CPKFAWRLUUCIMB-UHFFFAOYSA-N 0 0 408.481 2.903 40 0 HFABRN Cc1cccc(Nc2ccc(C3CCN(S(=O)(=O)c4cn(C)cn4)CC3)nc2)n1 ZINC000072374340 558961667 /nfs/dbraw/zinc/96/16/67/558961667.db2.gz HYRCWNASWMDNCS-UHFFFAOYSA-N 0 0 412.519 2.830 40 0 HFABRN Cc1nonc1CC(=O)N1CCC[C@@H](c2nc(N(C)C)ncc2-c2cccc(F)c2)C1 ZINC000019693916 558961964 /nfs/dbraw/zinc/96/19/64/558961964.db2.gz LFDCCMAWXJARRW-MRXNPFEDSA-N 0 0 424.480 2.989 40 0 HFABRN CN(C)c1ncc(-c2cccc(Cl)c2)c([C@@H]2CCCN(S(=O)(=O)N(C)C)C2)n1 ZINC000019694559 558963122 /nfs/dbraw/zinc/96/31/22/558963122.db2.gz HCTBWLDZSHIYRH-OAHLLOKOSA-N 0 0 423.970 2.849 40 0 HFABRN Cc1cccc([C@@H](O)[C@](Br)(I)S(C)(=O)=O)c1 ZINC000096521043 558964317 /nfs/dbraw/zinc/96/43/17/558964317.db2.gz CZCNSYDGSKNNCM-ZJUUUORDSA-N 0 0 419.078 2.557 40 0 HFABRN COc1ccccc1S(=O)(=O)N1CCC[C@@H]1c1cncc(Nc2ncccn2)n1 ZINC000072376450 558965918 /nfs/dbraw/zinc/96/59/18/558965918.db2.gz ZXWQBFDBEBLZNJ-OAHLLOKOSA-N 0 0 412.475 2.545 40 0 HFABRN CNC(=O)c1[nH]c([C@H]2CCCN(C(=O)COC(C)C)C2)nc1-c1ccc(OC)cc1 ZINC000019698979 558966394 /nfs/dbraw/zinc/96/63/94/558966394.db2.gz SFLGDRNEULYLQL-INIZCTEOSA-N 0 0 414.506 2.576 40 0 HFABRN COC(=O)CCC/C=C\C[C@H]1[C@@H](/C=C/[C@H](O)COc2ccccc2)[C@@H](O)C[C@@H]1O ZINC000064859202 558966511 /nfs/dbraw/zinc/96/65/11/558966511.db2.gz HYOHKXGCEWCBKE-CMZJMVFISA-N 0 0 404.503 2.630 40 0 in-vitro HFABRN CC(C)c1nccn1-c1cccc([C@H]2CCCN(S(=O)(=O)c3cn(C)cn3)C2)n1 ZINC000072379245 558968153 /nfs/dbraw/zinc/96/81/53/558968153.db2.gz QLYUJVBLHHQMRZ-INIZCTEOSA-N 0 0 414.535 2.693 40 0 HFABRN CNc1nc([C@H]2CCCCN2C(=O)Cc2ccccc2)nc2c1CN(C(C)=O)CC2 ZINC000072380112 558968338 /nfs/dbraw/zinc/96/83/38/558968338.db2.gz SLIWTCASWQURGC-HXUWFJFHSA-N 0 0 407.518 2.719 40 0 HFABRN Cc1cc(Nc2cccc([C@@H]3CCCN(S(=O)(=O)N4CCCCC4)C3)n2)n[nH]1 ZINC000072382288 558968984 /nfs/dbraw/zinc/96/89/84/558968984.db2.gz NUMBEULZQZLHHA-MRXNPFEDSA-N 0 0 404.540 2.767 40 0 HFABRN COCC(=O)N1CCO[C@@](Cc2ccc(-c3cccs3)cc2)(C(=O)NC(C)C)C1 ZINC000072389264 558969829 /nfs/dbraw/zinc/96/98/29/558969829.db2.gz KOMGHKXWYAYSRA-JOCHJYFZSA-N 0 0 416.543 2.726 40 0 HFABRN C=C(C(=O)OCC)C1=C(SCNC(=O)C[C@@H]([NH2+]CCCC)C(=O)[O-])CCCC1 ZINC000065090336 558970077 /nfs/dbraw/zinc/97/00/77/558970077.db2.gz MVAHBDBBCRTTAT-MRXNPFEDSA-N 0 0 412.552 2.974 40 0 HFABRN O=C(CN1C(=O)SC(=C2SC(=O)NC2=O)C1=O)Nc1cccc2ccccc21 ZINC000065090554 558970086 /nfs/dbraw/zinc/97/00/86/558970086.db2.gz RYJOYUMSAPEAKO-BUHFOSPRSA-N 0 0 413.436 2.668 40 0 HFABRN CNc1cc(CN(C)C(C)=O)nc([C@H]2CCCCN2C(=O)COc2ccccc2)n1 ZINC000019709834 558971780 /nfs/dbraw/zinc/97/17/80/558971780.db2.gz JGPXBHSDUIBRPB-LJQANCHMSA-N 0 0 411.506 2.629 40 0 HFABRN COc1cc(CCC(=O)N2CCC(c3nnsc3S(C)(=O)=O)CC2)ccc1C ZINC000072392506 558972059 /nfs/dbraw/zinc/97/20/59/558972059.db2.gz CGTWENFZEFBUDX-UHFFFAOYSA-N 0 0 423.560 2.597 40 0 HFABRN CNc1nc([C@H]2CCCCN2C(=O)COc2ccccc2)nc2c1CN(C(C)=O)CC2 ZINC000019710344 558972299 /nfs/dbraw/zinc/97/22/99/558972299.db2.gz POAKWRVOQABBCL-HXUWFJFHSA-N 0 0 423.517 2.556 40 0 HFABRN CC(=O)N1CCC(c2nc3c(c(N(C)[C@H](C)Cc4ccccn4)n2)CN(C)CC3)CC1 ZINC000019710510 558972695 /nfs/dbraw/zinc/97/26/95/558972695.db2.gz APMJXODBDUUMIH-QGZVFWFLSA-N 0 0 422.577 2.653 40 0 HFABRN COc1cc(C)ccc1OCC(=O)N1CCC2(CC1)CNC(=O)c1cc(C)ccc1O2 ZINC000072393319 558972714 /nfs/dbraw/zinc/97/27/14/558972714.db2.gz BLGCMXHRVQEFPW-UHFFFAOYSA-N 0 0 424.497 2.874 40 0 HFABRN COc1ccccc1OCC(=O)N1CCC[C@@H](c2cc(C(F)F)n3ncnc3n2)C1 ZINC000072395338 558974224 /nfs/dbraw/zinc/97/42/24/558974224.db2.gz JQYVXCNBUUJBMF-CYBMUJFWSA-N 0 0 417.416 2.856 40 0 HFABRN COc1ccccc1-c1ccccc1CN1CCN(S(=O)(=O)N2CCCC2)CC1 ZINC000019714629 558974830 /nfs/dbraw/zinc/97/48/30/558974830.db2.gz KLPYVMPMOYRURP-UHFFFAOYSA-N 0 0 415.559 2.820 40 0 HFABRN Cc1nn(-c2ccccc2)c2nc3c(cc12)CN(CCCN1CCOCC1)C(=O)O3 ZINC000072396589 558975369 /nfs/dbraw/zinc/97/53/69/558975369.db2.gz BVWLZKZQKJGZQS-UHFFFAOYSA-N 0 0 407.474 2.766 40 0 HFABRN COc1nn(Cc2cc(=O)[nH]c(N[C@H]3CCc4ccccc43)n2)c(=O)c2ccccc21 ZINC000019717567 558980343 /nfs/dbraw/zinc/98/03/43/558980343.db2.gz QXTWRXOMFXTCGV-IBGZPJMESA-N 0 0 415.453 2.636 40 0 HFABRN COCCNC(=O)c1sc2ncccc2c1[C@H]1CC[C@H](CNC(=O)COC)CC1 ZINC000257224270 558990918 /nfs/dbraw/zinc/99/09/18/558990918.db2.gz FBAYBLWBAKMGBG-SHTZXODSSA-N 0 0 419.547 2.709 40 0 HFABRN CCN(CC)S(=O)(=O)NC[C@H]1CC[C@H](c2c3cccnc3sc2C(N)=O)CC1 ZINC000257291496 559007841 /nfs/dbraw/zinc/00/78/41/559007841.db2.gz QHFGTKKSOXUEGA-HDJSIYSDSA-N 0 0 424.592 2.845 40 0 HFABRN C[C@H]1c2nc(C(=O)NCc3ccccn3)cn2CCN1C(=O)c1cc2ccccc2[nH]1 ZINC000585096362 559023490 /nfs/dbraw/zinc/02/34/90/559023490.db2.gz KBDJJNPZSIQIRR-HNNXBMFYSA-N 0 0 414.469 2.906 40 0 HFABRN COc1cc(OC)nc(N2CCC[C@]3(CCC(=O)N3Cc3csc(C)n3)CC2)n1 ZINC000585100198 559023804 /nfs/dbraw/zinc/02/38/04/559023804.db2.gz HLXSYUIRTJWYOT-FQEVSTJZSA-N 0 0 417.535 2.810 40 0 HFABRN O=C(CN1C(=O)CC[C@@]12CCCN(c1ncc3sccc3n1)CC2)N1CCCC1 ZINC000585100647 559024144 /nfs/dbraw/zinc/02/41/44/559024144.db2.gz RQHMVKMWTLDCMD-OAQYLSRUSA-N 0 0 413.547 2.665 40 0 HFABRN Cc1noc(C)c1CN1C[C@@]2(CC1=O)COCCN(c1ncnc3ccsc31)C2 ZINC000585104800 559027302 /nfs/dbraw/zinc/02/73/02/559027302.db2.gz UGSKWTRHQSHZLK-FQEVSTJZSA-N 0 0 413.503 2.552 40 0 HFABRN O=C(NC1CCCC1)c1nnc2n1CC[C@]1(CCN(C(=O)c3ccsc3)C1)CC2 ZINC000585107197 559027761 /nfs/dbraw/zinc/02/77/61/559027761.db2.gz RFMHFSNYMLDNKC-OAQYLSRUSA-N 0 0 413.547 2.881 40 0 HFABRN COCCN1c2cccnc2-n2cccc2[C@]12CCN(C(=O)c1scnc1C)C2 ZINC000585107426 559027818 /nfs/dbraw/zinc/02/78/18/559027818.db2.gz VOHIMFMPYVAVSY-OAQYLSRUSA-N 0 0 409.515 2.845 40 0 HFABRN CC(=O)Nc1ccc(C(=O)NC[C@@H]2OCCc3cn(Cc4ccccc4)nc32)cc1 ZINC000585111654 559030567 /nfs/dbraw/zinc/03/05/67/559030567.db2.gz ZKEMRIISEATPMB-NRFANRHFSA-N 0 0 404.470 2.934 40 0 HFABRN O=C(c1ccc2c(c1)OCO2)N1CCc2ncc(-c3cnn(C(F)F)c3)n2CC1 ZINC000585111178 559031707 /nfs/dbraw/zinc/03/17/07/559031707.db2.gz HWMCRSSNIAVITL-UHFFFAOYSA-N 0 0 401.373 2.569 40 0 HFABRN O=C(C[C@@H]1CC2(CCN(C(=O)c3cnccn3)CC2)Oc2ccccc21)NC1CC1 ZINC000096053444 559093386 /nfs/dbraw/zinc/09/33/86/559093386.db2.gz ZGZLIOVEWIGMSW-MRXNPFEDSA-N 0 0 406.486 2.686 40 0 HFABRN O=C(Nc1ccccc1)C1=NO[C@]2(C1)CCCN(S(=O)(=O)c1ccccc1F)C2 ZINC000096074403 559094529 /nfs/dbraw/zinc/09/45/29/559094529.db2.gz PJUXZJCHJULOMP-FQEVSTJZSA-N 0 0 417.462 2.764 40 0 HFABRN Cc1ccc(CNC(=O)C2=NO[C@]3(C2)CCCN(C(=O)Cc2ccccc2)C3)cc1 ZINC000096074441 559094530 /nfs/dbraw/zinc/09/45/30/559094530.db2.gz SYESXAFEIJPHMT-DEOSSOPVSA-N 0 0 405.498 2.991 40 0 HFABRN CNC(=O)C[C@@H]1CC2(CCN(S(=O)(=O)c3ccccc3)CC2)Oc2ccccc21 ZINC000096079954 559094785 /nfs/dbraw/zinc/09/47/85/559094785.db2.gz UXBJVBRQAOMISI-QGZVFWFLSA-N 0 0 414.527 2.912 40 0 HFABRN COc1cccc(C(=O)N2CC[C@@H]3CN(Cc4ccccc4)S(=O)(=O)[C@@H]3CC2)c1 ZINC000096145349 559097238 /nfs/dbraw/zinc/09/72/38/559097238.db2.gz QZSLTYSCESTYAY-TZIWHRDSSA-N 0 0 414.527 2.762 40 0 HFABRN CCCN(CC)C(=O)c1ncn2c1CN(CC1CC1)S(=O)(=O)c1ccccc1-2 ZINC000096147434 559098507 /nfs/dbraw/zinc/09/85/07/559098507.db2.gz LTHGZHNRJWMPBM-UHFFFAOYSA-N 0 0 402.520 2.659 40 0 HFABRN CCN(Cc1ccccc1)C(=O)c1cc(-c2cnc(N3CCOCC3)nc2)cn1C ZINC000096147581 559098527 /nfs/dbraw/zinc/09/85/27/559098527.db2.gz PBMPHWCMCHEJFP-UHFFFAOYSA-N 0 0 405.502 2.981 40 0 HFABRN CC(C)CCN1Cc2c(C(=O)N3CCCC3)ncn2-c2ccccc2S1(=O)=O ZINC000096147508 559098538 /nfs/dbraw/zinc/09/85/38/559098538.db2.gz KDHDNOWWNAZQOU-UHFFFAOYSA-N 0 0 402.520 2.659 40 0 HFABRN Cc1cnc(CNC(=O)c2ccn(-c3ccc4ccc(-c5cnn(C)c5)cn43)n2)cn1 ZINC000096155384 559099596 /nfs/dbraw/zinc/09/95/96/559099596.db2.gz HXOQGUJWMWPSRO-UHFFFAOYSA-N 0 0 412.457 2.554 40 0 HFABRN CCc1ccc(S(=O)(=O)N2CC[C@@]3(C[C@@H]3C(=O)N(C)Cc3ccccn3)C2)cc1 ZINC000096227417 559102735 /nfs/dbraw/zinc/10/27/35/559102735.db2.gz FOYULLWKGYKPSK-IFMALSPDSA-N 0 0 413.543 2.703 40 0 HFABRN COc1ccc(NC(=O)N2CC[C@]3(C2)CN(c2cccc(F)c2)C(=O)CN3C)cc1 ZINC000096237976 559103309 /nfs/dbraw/zinc/10/33/09/559103309.db2.gz BDFKDZMLKUXZMJ-QFIPXVFZSA-N 0 0 412.465 2.789 40 0 HFABRN COc1cccc(S(=O)(=O)N2CC[C@@]3(CC(=O)N(c4cccc(C)c4)C3)C2)c1 ZINC000096238550 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404.488 2.829 40 0 HFABRN CC(C)NC(=O)c1ccccc1NC(=O)[C@H](C)N(c1ccccc1F)S(C)(=O)=O ZINC000220303940 568504486 /nfs/dbraw/zinc/50/44/86/568504486.db2.gz TUOGXGXCFAINFX-AWEZNQCLSA-N 0 0 421.494 2.757 40 0 HFABRN COc1ccc(OC)c(NC(=O)[C@H](C)N(c2ccc(F)c(F)c2)S(C)(=O)=O)c1 ZINC000220444635 568505656 /nfs/dbraw/zinc/50/56/56/568505656.db2.gz ZKEYQLYYFKFYHS-NSHDSACASA-N 0 0 414.430 2.775 40 0 HFABRN COc1ccccc1CCCNC(=O)[C@@H](C)N(c1cccc(F)c1)S(C)(=O)=O ZINC000220482490 568506041 /nfs/dbraw/zinc/50/60/41/568506041.db2.gz XIPPYXHXBASPGF-OAHLLOKOSA-N 0 0 408.495 2.738 40 0 HFABRN CC[C@@H](C(=O)Nc1ccccc1C(=O)OC)N(c1ccc(OC)cc1)S(C)(=O)=O ZINC000220638562 568507870 /nfs/dbraw/zinc/50/78/70/568507870.db2.gz VSZOBFZFRCLKJS-SFHVURJKSA-N 0 0 420.487 2.665 40 0 HFABRN CCOc1ccc(N([C@H](CC)C(=O)NCCc2ccccc2)S(C)(=O)=O)cc1 ZINC000220662069 568508212 /nfs/dbraw/zinc/50/82/12/568508212.db2.gz VZTDXEUCZBGDAH-HXUWFJFHSA-N 0 0 404.532 2.989 40 0 HFABRN O=c1/c(=C\c2ccc(Cl)cc2)sc2nc(=O)c(Cc3ccccc3Cl)nn12 ZINC000033339550 568514173 /nfs/dbraw/zinc/51/41/73/568514173.db2.gz IXTFCCWXDUCMNA-CXUHLZMHSA-N 0 0 416.289 2.957 40 0 HFABRN CNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)COc1cc(OC)cc(OC)c1 ZINC000222385346 568515066 /nfs/dbraw/zinc/51/50/66/568515066.db2.gz HXJBDWPJGDMCPQ-MRXNPFEDSA-N 0 0 400.475 2.554 40 0 HFABRN COC(=O)C1CCN(C(=O)c2cccc(N(C)S(=O)(=O)c3ccccc3)c2)CC1 ZINC000222536558 568517633 /nfs/dbraw/zinc/51/76/33/568517633.db2.gz PCXVBPCTIZRNSP-UHFFFAOYSA-N 0 0 416.499 2.537 40 0 HFABRN O=C1Nc2ccc(Cl)cc2[C@@]12[C@@H]1C(=O)N(Cc3ccccc3)C(=O)[C@H]1[C@H]1CCCN12 ZINC000033704886 568517955 /nfs/dbraw/zinc/51/79/55/568517955.db2.gz NHCQRBNPGXRMQS-GKAYAJSDSA-N 0 0 421.884 2.767 40 0 HFABRN COc1ccc(CCCNC(=O)c2cccc(N3CCCCS3(=O)=O)c2)cc1 ZINC000222556968 568518328 /nfs/dbraw/zinc/51/83/28/568518328.db2.gz ARQIKEHPSAEVTE-UHFFFAOYSA-N 0 0 402.516 2.988 40 0 HFABRN Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2CCCN2[C@@]32C(=O)Nc3ccc(F)cc32)cc1C ZINC000033719453 568518376 /nfs/dbraw/zinc/51/83/76/568518376.db2.gz HFSYTLKIKCDFFP-MTXNFPGFSA-N 0 0 419.456 2.874 40 0 HFABRN Cc1ccccc1N(CC(=O)Nc1nnc(SCC(C)C)s1)S(C)(=O)=O ZINC000222560104 568518428 /nfs/dbraw/zinc/51/84/28/568518428.db2.gz FACSLMVMTFZHGI-UHFFFAOYSA-N 0 0 414.578 2.999 40 0 HFABRN COC(=O)c1ccc(C)c(NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2)c1 ZINC000222581102 568519222 /nfs/dbraw/zinc/51/92/22/568519222.db2.gz CMSDPWWYTNHSDH-UHFFFAOYSA-N 0 0 402.472 2.964 40 0 HFABRN COc1cccc(CCCNC(=O)c2ccc(N3CCCCS3(=O)=O)cc2)c1 ZINC000222585592 568519309 /nfs/dbraw/zinc/51/93/09/568519309.db2.gz ZXVSNBYYTIEREP-UHFFFAOYSA-N 0 0 402.516 2.988 40 0 HFABRN COc1ccc(F)cc1S(=O)(=O)N1CCC[C@@H](C(=O)NCc2cccc(C)c2)C1 ZINC000222623483 568521124 /nfs/dbraw/zinc/52/11/24/568521124.db2.gz JPQONWWRWWGPFH-QGZVFWFLSA-N 0 0 420.506 2.860 40 0 HFABRN CCOc1ccc(NS(=O)(=O)c2ccc(OCc3nnc(N)s3)cc2)cc1 ZINC000222642885 568521987 /nfs/dbraw/zinc/52/19/87/568521987.db2.gz IBYJAAGNQWUMGA-UHFFFAOYSA-N 0 0 406.489 2.899 40 0 HFABRN COC(=O)c1ccc(NC(=O)CCCN(c2ccccc2F)S(C)(=O)=O)cc1 ZINC000222651525 568522329 /nfs/dbraw/zinc/52/23/29/568522329.db2.gz FTWHFJASMLNSQC-UHFFFAOYSA-N 0 0 408.451 2.797 40 0 HFABRN COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000222684583 568523712 /nfs/dbraw/zinc/52/37/12/568523712.db2.gz DYPBNHSMYBXXSP-AWEZNQCLSA-N 0 0 408.495 2.895 40 0 HFABRN C[C@@H](NC(=O)CCCN(C)S(=O)(=O)c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000222720923 568524688 /nfs/dbraw/zinc/52/46/88/568524688.db2.gz YIZGZNGLPWGLPE-MRXNPFEDSA-N 0 0 418.515 2.736 40 0 HFABRN COCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1ccccc1Cl ZINC000222724266 568524803 /nfs/dbraw/zinc/52/48/03/568524803.db2.gz IRUAJRIVBHVBTO-MRXNPFEDSA-N 0 0 404.894 2.899 40 0 HFABRN Cc1cc(C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)ccc1N(C)S(C)(=O)=O ZINC000222731930 568525005 /nfs/dbraw/zinc/52/50/05/568525005.db2.gz KWLYOOHFCXJZSF-AWEZNQCLSA-N 0 0 404.488 2.653 40 0 HFABRN Cc1ccc2c(c1)O[C@H](C(=O)NCc1ccc3ccccc3c1)CN2S(C)(=O)=O ZINC000222797986 568526860 /nfs/dbraw/zinc/52/68/60/568526860.db2.gz KAJOQNQQFMKALK-NRFANRHFSA-N 0 0 410.495 2.992 40 0 HFABRN CN1CCN(S(=O)(=O)c2cccc(C(=O)NCc3ccc4ccccc4c3)c2)CC1 ZINC000222804609 568526953 /nfs/dbraw/zinc/52/69/53/568526953.db2.gz YXJBHBLQTIKWLY-UHFFFAOYSA-N 0 0 423.538 2.706 40 0 HFABRN Cc1ccc(OC[C@H](C)NC(=O)CN(Cc2ccccc2)S(C)(=O)=O)cc1C ZINC000222808096 568527065 /nfs/dbraw/zinc/52/70/65/568527065.db2.gz OYDVSBNXNSGQOP-SFHVURJKSA-N 0 0 404.532 2.649 40 0 HFABRN COCCCNC(=O)/C(=C/c1cccs1)NC(=O)c1ccc(OC)c(OC)c1 ZINC000222814980 568527149 /nfs/dbraw/zinc/52/71/49/568527149.db2.gz JVGJJKNQPUWCAO-SSZFMOIBSA-N 0 0 404.488 2.689 40 0 HFABRN CNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CCc1ccc(OC)c(OC)c1 ZINC000222863900 568528862 /nfs/dbraw/zinc/52/88/62/568528862.db2.gz QXYBKTSXGZHAIX-INIZCTEOSA-N 0 0 414.502 2.808 40 0 HFABRN COc1ccc([C@@H](C)NC(=O)CN(C)S(=O)(=O)c2ccc(SC)cc2)cc1 ZINC000222876906 568529363 /nfs/dbraw/zinc/52/93/63/568529363.db2.gz NRHZVMAHGXWYNX-CQSZACIVSA-N 0 0 408.545 2.915 40 0 HFABRN COc1ccc(C(=O)N2CCOc3ccccc32)cc1S(=O)(=O)N1CCCCC1 ZINC000222916533 568530641 /nfs/dbraw/zinc/53/06/41/568530641.db2.gz MPMNKKLXZNOQOX-UHFFFAOYSA-N 0 0 416.499 2.909 40 0 HFABRN CNC(=O)c1cc(S(=O)(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)ccc1OC ZINC000222953642 568532142 /nfs/dbraw/zinc/53/21/42/568532142.db2.gz RVIATDCZZSNJJW-AWEZNQCLSA-N 0 0 402.516 2.973 40 0 HFABRN CCc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCC[C@@H](C)C4)[nH]c(=O)c32)cc1 ZINC000223053164 568535621 /nfs/dbraw/zinc/53/56/21/568535621.db2.gz LXSBBLMXCSPXRK-CJNGLKHVSA-N 0 0 409.490 2.633 40 0 HFABRN CCc1ccccc1NC(=O)[C@@H]1CC(=O)Nc2nc(N3CCC[C@@H](C)C3)[nH]c(=O)c21 ZINC000223054233 568535790 /nfs/dbraw/zinc/53/57/90/568535790.db2.gz GDLMZBDZILZYSW-UKRRQHHQSA-N 0 0 409.490 2.633 40 0 HFABRN CCOc1ccccc1NC(=O)COc1ccc(S(=O)(=O)NC2CC2)cc1C ZINC000223055142 568535816 /nfs/dbraw/zinc/53/58/16/568535816.db2.gz KREUEPOLPCLZNH-UHFFFAOYSA-N 0 0 404.488 2.852 40 0 HFABRN Cc1ccc(NC(=O)CN(Cc2ccccc2)S(C)(=O)=O)cc1N1CCCC1=O ZINC000223066928 568536397 /nfs/dbraw/zinc/53/63/97/568536397.db2.gz FTCHCKTYJKAEOE-UHFFFAOYSA-N 0 0 415.515 2.522 40 0 HFABRN CCOc1ccccc1CCCNC(=O)CN(Cc1ccccc1)S(C)(=O)=O ZINC000223074868 568536494 /nfs/dbraw/zinc/53/64/94/568536494.db2.gz GDDQKAANNLYPPE-UHFFFAOYSA-N 0 0 404.532 2.596 40 0 HFABRN CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1ccc(OC)c(OC)c1 ZINC000223102467 568537704 /nfs/dbraw/zinc/53/77/04/568537704.db2.gz PWHUKJGQEIBOOA-QGZVFWFLSA-N 0 0 422.503 2.896 40 0 HFABRN CCOCCCNC(=O)/C(=C/c1ccco1)NC(=O)c1ccc(OC)c(OC)c1 ZINC000223109396 568537864 /nfs/dbraw/zinc/53/78/64/568537864.db2.gz PPVQWBXTXGEOJB-VKAVYKQESA-N 0 0 402.447 2.611 40 0 HFABRN Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)N[C@@H](C)c1ccc3c(c1)CCC3)O2 ZINC000223222110 568541523 /nfs/dbraw/zinc/54/15/23/568541523.db2.gz LLRRSDJOWGZQGJ-BTYIYWSLSA-N 0 0 414.527 2.888 40 0 HFABRN COc1cc(CNC(=O)[C@@H](c2ccccc2)N(C)S(C)(=O)=O)ccc1OC(C)C ZINC000223326879 568545238 /nfs/dbraw/zinc/54/52/38/568545238.db2.gz CJOXMFSKRICYLL-HXUWFJFHSA-N 0 0 420.531 2.731 40 0 HFABRN CC[C@@H](C(=O)NC)N(CCc1ccccc1)C(=O)COc1cc(OC)cc(OC)c1 ZINC000223491040 568550324 /nfs/dbraw/zinc/55/03/24/568550324.db2.gz WSPCZKQCYKDMGR-NRFANRHFSA-N 0 0 414.502 2.679 40 0 HFABRN COc1cccc(N(CC(=O)Nc2nnc(-c3ccccc3)s2)S(C)(=O)=O)c1 ZINC000223560734 568551813 /nfs/dbraw/zinc/55/18/13/568551813.db2.gz BPISKOMZIWAUJK-UHFFFAOYSA-N 0 0 418.500 2.618 40 0 HFABRN CCOc1ccc(-c2noc(CNS(=O)(=O)c3ccc(OC)c(C)c3)n2)cc1 ZINC000223578809 568552182 /nfs/dbraw/zinc/55/21/82/568552182.db2.gz SQPNJODTFDIXHV-UHFFFAOYSA-N 0 0 403.460 2.931 40 0 HFABRN CC(=O)Nc1ccc(S(=O)(=O)NCc2nc(-c3cccc(Cl)c3)no2)cc1 ZINC000223585655 568552413 /nfs/dbraw/zinc/55/24/13/568552413.db2.gz UZYXBCUNPWLXID-UHFFFAOYSA-N 0 0 406.851 2.827 40 0 HFABRN COc1ccc(S(=O)(=O)N[C@@H](C)CCc2ccccc2)cc1N1C(=O)CCC1=O ZINC000223607640 568553296 /nfs/dbraw/zinc/55/32/96/568553296.db2.gz BZEYPMCRDJFEHD-HNNXBMFYSA-N 0 0 416.499 2.648 40 0 HFABRN CCc1ccc(OCCNC(=O)CN(c2ccccc2CC)S(C)(=O)=O)cc1 ZINC000223631015 568554127 /nfs/dbraw/zinc/55/41/27/568554127.db2.gz AKKNXMOVVIPBTJ-UHFFFAOYSA-N 0 0 404.532 2.773 40 0 HFABRN COc1ccc(-c2noc(CNS(=O)(=O)Cc3ccccc3F)n2)cc1OC ZINC000223633222 568554240 /nfs/dbraw/zinc/55/42/40/568554240.db2.gz WGMVXQYFJNALFU-UHFFFAOYSA-N 0 0 407.423 2.513 40 0 HFABRN CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccccn1 ZINC000223640156 568554463 /nfs/dbraw/zinc/55/44/63/568554463.db2.gz IXYWLZDZMQWMOU-WOJBJXKFSA-N 0 0 407.499 2.803 40 0 HFABRN CS(=O)(=O)N(CC(=O)NCC1=CCCCC1)c1ccc(Br)cc1 ZINC000223641809 568554558 /nfs/dbraw/zinc/55/45/58/568554558.db2.gz AFALCIYGUMMMGL-UHFFFAOYSA-N 0 0 401.326 2.832 40 0 HFABRN CN(c1cccc(NS(=O)(=O)c2ccc3c(c2)CCC(C)(C)O3)c1)S(C)(=O)=O ZINC000223662730 568555402 /nfs/dbraw/zinc/55/54/02/568555402.db2.gz GHILCWHFJBOIJD-UHFFFAOYSA-N 0 0 424.544 2.987 40 0 HFABRN Cc1ccccc1OCCNC(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O ZINC000223681094 568555927 /nfs/dbraw/zinc/55/59/27/568555927.db2.gz SNAIAKRZGCKELW-UHFFFAOYSA-N 0 0 410.923 2.918 40 0 HFABRN CCc1ccc(OCCNC(=O)[C@@H](C)N(c2ccc(OC)cc2)S(C)(=O)=O)cc1 ZINC000223697422 568556523 /nfs/dbraw/zinc/55/65/23/568556523.db2.gz WOBZTUPQGKMFNA-MRXNPFEDSA-N 0 0 420.531 2.607 40 0 HFABRN COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1Cc1ccccn1 ZINC000223700630 568556589 /nfs/dbraw/zinc/55/65/89/568556589.db2.gz VSQFPMQGMDBVQZ-SFTDATJTSA-N 0 0 421.526 2.862 40 0 HFABRN COc1ccc(S(=O)(=O)NCc2ccc(CN3CCCC3=O)cc2)cc1Cl ZINC000223699454 568556596 /nfs/dbraw/zinc/55/65/96/568556596.db2.gz NTYYCWXQUWLNAW-UHFFFAOYSA-N 0 0 408.907 2.950 40 0 HFABRN CCOc1ccc(N([C@@H](C)C(=O)NCCOc2ccc(F)cc2)S(C)(=O)=O)cc1 ZINC000223708764 568556937 /nfs/dbraw/zinc/55/69/37/568556937.db2.gz DAAOAIXAGTWBTQ-HNNXBMFYSA-N 0 0 424.494 2.574 40 0 HFABRN COc1ccc(S(=O)(=O)NCCCc2ccc(C)cc2)cc1N1C(=O)CCC1=O ZINC000223754529 568558095 /nfs/dbraw/zinc/55/80/95/568558095.db2.gz XFNYPWJWGIGEPF-UHFFFAOYSA-N 0 0 416.499 2.568 40 0 HFABRN COc1ccc(S(=O)(=O)NCc2nc(-c3ccccc3Cl)no2)cc1OC ZINC000223763348 568558432 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558312277 /nfs/dbraw/zinc/31/22/77/558312277.db2.gz JGNSUOYRVHYFFT-JTQLQIEISA-N 0 0 411.277 2.934 40 0 HFABRN COCCCN1CN=C2N[C@@H](c3cccc(OC)c3)n3c4ccccc4nc3N2C1 ZINC000019960458 558315567 /nfs/dbraw/zinc/31/55/67/558315567.db2.gz LGSSKEIUPWIZQX-HXUWFJFHSA-N 0 0 406.490 2.625 40 0 HFABRN CCc1nn2c(nnc3c2ccn(-c2nc(SC)n[nH]2)c3=O)c1-c1ccc(F)cc1 ZINC000019962762 558316307 /nfs/dbraw/zinc/31/63/07/558316307.db2.gz MUIWDVJLFUGKBM-UHFFFAOYSA-N 0 0 422.449 2.637 40 0 HFABRN CCCNC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(OC)c(Cl)c1 ZINC000020005872 558318164 /nfs/dbraw/zinc/31/81/64/558318164.db2.gz QEPXWIOLAIKLGP-QGZVFWFLSA-N 0 0 410.923 2.764 40 0 HFABRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cc(C)ccc1OC ZINC000020006694 558318313 /nfs/dbraw/zinc/31/83/13/558318313.db2.gz HEWLZYXULNLMOO-AEFFLSMTSA-N 0 0 404.532 2.808 40 0 HFABRN CN(CC(=O)Nc1cc(F)ccc1F)S(=O)(=O)c1ccc(Br)cc1 ZINC000020012026 558318911 /nfs/dbraw/zinc/31/89/11/558318911.db2.gz OWNDZGPDDHTTEP-UHFFFAOYSA-N 0 0 419.247 2.987 40 0 HFABRN CCOc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](C)c2ccc(OC)cc2)cc1 ZINC000020013613 558319349 /nfs/dbraw/zinc/31/93/49/558319349.db2.gz GEZPZFGBDJPXDY-HNNXBMFYSA-N 0 0 406.504 2.592 40 0 HFABRN COc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](C)c2ccccc2OC)cc1C ZINC000020013692 558319369 /nfs/dbraw/zinc/31/93/69/558319369.db2.gz WYJPJGNKVWMCQM-HNNXBMFYSA-N 0 0 406.504 2.510 40 0 HFABRN CCOc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](C)c2ccc(OC)cc2)cc1 ZINC000020013616 558319397 /nfs/dbraw/zinc/31/93/97/558319397.db2.gz GEZPZFGBDJPXDY-OAHLLOKOSA-N 0 0 406.504 2.592 40 0 HFABRN CCN(CC(=O)N[C@@H](C)c1ccc(OC)cc1)S(=O)(=O)c1cc(F)ccc1OC ZINC000020015988 558319942 /nfs/dbraw/zinc/31/99/42/558319942.db2.gz OJGKRZCULIDVNP-AWEZNQCLSA-N 0 0 424.494 2.731 40 0 HFABRN COCCNC(=O)CN1N=C(c2ccc(C)cc2)Cn2c(cc3ccccc32)C1=O ZINC000012088722 558323406 /nfs/dbraw/zinc/32/34/06/558323406.db2.gz QYZBMFYWOGOHPB-UHFFFAOYSA-N 0 0 404.470 2.572 40 0 HFABRN COc1ccc([C@H](C)NC(=O)/C=C/c2ccc(CN(C)S(C)(=O)=O)o2)cc1OC ZINC000020030366 558324126 /nfs/dbraw/zinc/32/41/26/558324126.db2.gz BQUZMBCLOCOUKH-MARXPDLDSA-N 0 0 422.503 2.579 40 0 HFABRN COc1ccccc1[C@@H](C)NC(=O)c1cc(OC)c(OC)cc1N(C)S(C)(=O)=O ZINC000020030148 558324176 /nfs/dbraw/zinc/32/41/76/558324176.db2.gz XKUZMICTZUDWKZ-CYBMUJFWSA-N 0 0 422.503 2.599 40 0 HFABRN COc1ccc([C@H](C)NC(=O)[C@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)cc1OC ZINC000020042354 558326338 /nfs/dbraw/zinc/32/63/38/558326338.db2.gz SVHISAOWJXHXOZ-KBPBESRZSA-N 0 0 424.494 2.875 40 0 HFABRN CC[C@H](C)NC(=O)C1CCN(S(=O)(=O)Cc2cccc(Br)c2)CC1 ZINC000020046500 558327646 /nfs/dbraw/zinc/32/76/46/558327646.db2.gz BDXPIHJBHXHVJC-ZDUSSCGKSA-N 0 0 417.369 2.906 40 0 HFABRN CC[C@@H](C)NC(=O)C1CCN(S(=O)(=O)Cc2cccc(Br)c2)CC1 ZINC000020046497 558327620 /nfs/dbraw/zinc/32/76/20/558327620.db2.gz BDXPIHJBHXHVJC-CYBMUJFWSA-N 0 0 417.369 2.906 40 0 HFABRN CCOc1ccc(CNS(=O)(=O)c2ccc(OC)c(N3CCCC3=O)c2)cc1 ZINC000020046833 558327641 /nfs/dbraw/zinc/32/76/41/558327641.db2.gz KVKNWSXPDAOATD-UHFFFAOYSA-N 0 0 404.488 2.699 40 0 HFABRN CCc1nn(CC(=O)NCc2ccc(OC)cc2)c(=O)c2cc3sc(C)cc3n21 ZINC000012115398 558327778 /nfs/dbraw/zinc/32/77/78/558327778.db2.gz VQIDDSKIUWKKQP-UHFFFAOYSA-N 0 0 410.499 2.907 40 0 HFABRN O=C(Cc1n[nH]c(=O)c2ccccc12)N1CCC[C@@H](c2n[nH]cc2-c2ccncc2)C1 ZINC000012115949 558328065 /nfs/dbraw/zinc/32/80/65/558328065.db2.gz PHKOSYGQLMAEQO-MRXNPFEDSA-N 0 0 414.469 2.657 40 0 HFABRN O=C(Cc1n[nH]c(=O)c2ccccc12)N1CCC(c2n[nH]cc2-c2ccncc2)CC1 ZINC000012115966 558328135 /nfs/dbraw/zinc/32/81/35/558328135.db2.gz YRQXLUJJJMAHTH-UHFFFAOYSA-N 0 0 414.469 2.657 40 0 HFABRN CC(C)(C)C1=NN(CC(=O)NCCc2c[nH]cn2)C(=O)c2cc3ccccc3n2C1 ZINC000012116517 558328580 /nfs/dbraw/zinc/32/85/80/558328580.db2.gz JKYCMUDWUAYHCR-UHFFFAOYSA-N 0 0 406.490 2.581 40 0 HFABRN Cc1noc(C)c1C(=O)N1CCC2(CC1)Nc1ccc(Br)cc1C(=O)N2 ZINC000012117988 558329684 /nfs/dbraw/zinc/32/96/84/558329684.db2.gz CQAKLDTZGPXKSE-UHFFFAOYSA-N 0 0 419.279 2.842 40 0 HFABRN Cc1cc(-c2cncnc2[C@@H]2CCCN(CC(=O)Nc3ccc4c(c3)OCO4)C2)on1 ZINC000012127815 558331587 /nfs/dbraw/zinc/33/15/87/558331587.db2.gz QGUJUGXBPFNSCM-OAHLLOKOSA-N 0 0 421.457 2.987 40 0 HFABRN CN1C(=O)S[C@H](CC(=O)N2CCC(C(=O)c3nc4ccccc4s3)CC2)C1=O ZINC000012132403 558333039 /nfs/dbraw/zinc/33/30/39/558333039.db2.gz UJUNJOMRADGHHK-CQSZACIVSA-N 0 0 417.512 2.802 40 0 HFABRN O=S1(=O)CC[C@H](Nc2ncc(-c3ccc4c(c3)OCO4)c(-c3nccs3)n2)C1 ZINC000012186439 558345406 /nfs/dbraw/zinc/34/54/06/558345406.db2.gz DXLVINPAOORQCJ-LBPRGKRZSA-N 0 0 416.484 2.595 40 0 HFABRN C[C@@H](Oc1cccc(F)c1)C(=O)N1CCC(c2cc(=O)[nH]c(-c3cnccn3)n2)CC1 ZINC000012219671 558354980 /nfs/dbraw/zinc/35/49/80/558354980.db2.gz SWFQZHUQXXPLQX-CQSZACIVSA-N 0 0 423.448 2.952 40 0 HFABRN CS(=O)(=O)c1ccc(CC(=O)N2CCC(c3cc4ncccc4cn3)CC2)cc1 ZINC000012224100 558356806 /nfs/dbraw/zinc/35/68/06/558356806.db2.gz LFZDIECEQWMEJV-UHFFFAOYSA-N 0 0 409.511 2.982 40 0 HFABRN COc1ccc(OCC(=O)N2CCC(c3noc(-c4ccc(=O)[nH]c4)n3)CC2)cc1 ZINC000012232100 558358276 /nfs/dbraw/zinc/35/82/76/558358276.db2.gz RYAQNIRQWXSJFA-UHFFFAOYSA-N 0 0 410.430 2.631 40 0 HFABRN CCS(=O)(=O)N1c2ccc(C(=O)Nc3ccc(NC(C)=O)cc3)cc2C[C@H]1C ZINC000020449154 558364282 /nfs/dbraw/zinc/36/42/82/558364282.db2.gz NWKKFWFFNSTOHZ-CYBMUJFWSA-N 0 0 401.488 2.998 40 0 HFABRN COc1ccc(CN(C)C(=O)CN(c2c(C)cccc2C)S(C)(=O)=O)cc1OC ZINC000020452459 558366575 /nfs/dbraw/zinc/36/65/75/558366575.db2.gz CIKOEVRQJXYKSM-UHFFFAOYSA-N 0 0 420.531 2.745 40 0 HFABRN COc1ccc(SCC(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)cc1 ZINC000020455903 558369545 /nfs/dbraw/zinc/36/95/45/558369545.db2.gz HHLKHFSIJLDPBZ-UHFFFAOYSA-N 0 0 406.529 2.627 40 0 HFABRN COc1ccc([C@@H](C)NC(=O)CN(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1OC ZINC000020482967 558375412 /nfs/dbraw/zinc/37/54/12/558375412.db2.gz PJLGNYMURCQGNV-MRXNPFEDSA-N 0 0 420.531 2.964 40 0 HFABRN CCc1ccc(N(CC(=O)N(C)Cc2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1 ZINC000020485912 558376461 /nfs/dbraw/zinc/37/64/61/558376461.db2.gz XCPGHDLNHGWBSI-UHFFFAOYSA-N 0 0 420.531 2.691 40 0 HFABRN CC[C@@H](NC(=O)c1ccc(CS(=O)(=O)N2CCOCC2)cc1)c1ccccc1 ZINC000020488160 558376851 /nfs/dbraw/zinc/37/68/51/558376851.db2.gz FAAWLORJEWHLTF-HXUWFJFHSA-N 0 0 402.516 2.730 40 0 HFABRN COc1ccc(CNC(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)cc1OC ZINC000020489239 558377513 /nfs/dbraw/zinc/37/75/13/558377513.db2.gz VOQSFCOPTGNRTF-UHFFFAOYSA-N 0 0 420.531 2.910 40 0 HFABRN C[C@@H](Oc1ccc(F)cc1F)C(=O)N1CCC[C@@H](c2nn(C)c3nccnc23)C1 ZINC000012365171 558387601 /nfs/dbraw/zinc/38/76/01/558387601.db2.gz YPYZLRADMFIHPO-CHWSQXEVSA-N 0 0 401.417 2.815 40 0 HFABRN Cc1nc(N2CCC(C(N)=O)CC2)nc2c1C(=O)C[C@H](c1cc(F)cc(F)c1)C2 ZINC000020673069 558398856 /nfs/dbraw/zinc/39/88/56/558398856.db2.gz NVQCOJNCGLCRDL-CQSZACIVSA-N 0 0 400.429 2.678 40 0 HFABRN CCOc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCCCC4)nc(N)c32)cc1 ZINC000020673992 558399077 /nfs/dbraw/zinc/39/90/77/558399077.db2.gz YUYQWFLWLDNHMV-OAHLLOKOSA-N 0 0 410.478 2.512 40 0 HFABRN CCOC(=O)CSc1nc2nc3c(cn2n1)C(=O)C[C@H](c1ccc(F)cc1)C3 ZINC000020796281 558414318 /nfs/dbraw/zinc/41/43/18/558414318.db2.gz KTTPHWYGCUXQIP-GFCCVEGCSA-N 0 0 400.435 2.831 40 0 HFABRN CCOC(=O)[C@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@@H]1c1cccc(OC)c1 ZINC000020802234 558415855 /nfs/dbraw/zinc/41/58/55/558415855.db2.gz IRTQCRKQURQMMA-WOJBJXKFSA-N 0 0 423.469 2.807 40 0 HFABRN CCN(CC)S(=O)(=O)c1ccc(CCNS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000022227708 558467558 /nfs/dbraw/zinc/46/75/58/558467558.db2.gz ZCJRBCBZSHGZDR-UHFFFAOYSA-N 0 0 410.561 2.547 40 0 HFABRN CCOc1ccc2c(c1)c(=O)c(C(=O)N1CCN(c3ccccc3OC)CC1)cn2C ZINC000022237324 558471310 /nfs/dbraw/zinc/47/13/10/558471310.db2.gz RAUJPAHJSQIXPH-UHFFFAOYSA-N 0 0 421.497 2.908 40 0 HFABRN COc1ccc(C)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N1CCCC1 ZINC000022246842 558472215 /nfs/dbraw/zinc/47/22/15/558472215.db2.gz NXXUMSUJIGERLP-GOSISDBHSA-N 0 0 402.516 2.516 40 0 HFABRN CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)CC)cc1 ZINC000022247604 558472513 /nfs/dbraw/zinc/47/25/13/558472513.db2.gz VBSNUONDGBBHHE-JXFKEZNVSA-N 0 0 404.532 2.890 40 0 HFABRN CCN(c1cc(OC)c(OC)cc1C(=O)Nc1cccc(OC)c1)S(C)(=O)=O ZINC000022252023 558473567 /nfs/dbraw/zinc/47/35/67/558473567.db2.gz MZTWFNOXLWDCTJ-UHFFFAOYSA-N 0 0 408.476 2.751 40 0 HFABRN CCCCNC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(OCC)cc1 ZINC000022271138 558475319 /nfs/dbraw/zinc/47/53/19/558475319.db2.gz VBCLVUZVNOPOOD-HXUWFJFHSA-N 0 0 404.532 2.891 40 0 HFABRN COc1cc(CNC(=O)CN(c2ccc(C)cc2)S(C)(=O)=O)ccc1OC(C)C ZINC000022327728 558478806 /nfs/dbraw/zinc/47/88/06/558478806.db2.gz JXWTUXKLPUHTKE-UHFFFAOYSA-N 0 0 420.531 2.873 40 0 HFABRN Cc1ccc(OC[C@H](C)NC(=O)CN(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1 ZINC000022329262 558479268 /nfs/dbraw/zinc/47/92/68/558479268.db2.gz ACTIHANBLICIJW-SFHVURJKSA-N 0 0 404.532 2.962 40 0 HFABRN COc1ccccc1CCCNC(=O)CN(c1ccccc1Cl)S(C)(=O)=O ZINC000022330496 558479655 /nfs/dbraw/zinc/47/96/55/558479655.db2.gz HKQXSLYNKOWBMU-UHFFFAOYSA-N 0 0 410.923 2.864 40 0 HFABRN COc1cccc(N(CC(=O)NCCCc2ccc(Cl)cc2)S(C)(=O)=O)c1 ZINC000022332161 558480029 /nfs/dbraw/zinc/48/00/29/558480029.db2.gz ADIFLIYKKFXUAZ-UHFFFAOYSA-N 0 0 410.923 2.864 40 0 HFABRN COc1ccc(N(CC(=O)N[C@@H](C)c2cc(C)ccc2C)S(C)(=O)=O)c(OC)c1 ZINC000022333478 558480680 /nfs/dbraw/zinc/48/06/80/558480680.db2.gz QBPPOTKKXWJRSQ-INIZCTEOSA-N 0 0 420.531 2.964 40 0 HFABRN CCOc1ccc(N(CC(=O)NCCCc2ccc(F)cc2)S(C)(=O)=O)cc1 ZINC000022333171 558480711 /nfs/dbraw/zinc/48/07/11/558480711.db2.gz UQBNWCRCIPEXLG-UHFFFAOYSA-N 0 0 408.495 2.739 40 0 HFABRN COc1ccc(N(CC(=O)N[C@H](C)c2ccc(C)cc2C)S(C)(=O)=O)cc1OC ZINC000022334403 558480830 /nfs/dbraw/zinc/48/08/30/558480830.db2.gz ONFKUXAGBPKCOP-MRXNPFEDSA-N 0 0 420.531 2.964 40 0 HFABRN CCc1ccc(N(CC(=O)NCCCc2cccc(OC)c2)S(C)(=O)=O)cc1 ZINC000022361645 558483118 /nfs/dbraw/zinc/48/31/18/558483118.db2.gz SQRXLFVWKFDOBO-UHFFFAOYSA-N 0 0 404.532 2.773 40 0 HFABRN CCCOc1ccc(N(CC(=O)NCCSC(C)(C)C)S(C)(=O)=O)cc1 ZINC000022389041 558485810 /nfs/dbraw/zinc/48/58/10/558485810.db2.gz BEZKBZJTRMTHBQ-UHFFFAOYSA-N 0 0 402.582 2.889 40 0 HFABRN CCCOc1ccc(N(CC(=O)NCc2ccc(OCC)cc2)S(C)(=O)=O)cc1 ZINC000022396054 558486594 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CCNC(=O)c1cc(S(=O)(=O)NCCSCc2ccccc2)ccc1OC ZINC000013679958 558566019 /nfs/dbraw/zinc/56/60/19/558566019.db2.gz ASFTXSIDBROFDX-UHFFFAOYSA-N 0 0 408.545 2.657 40 0 HFABRN Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2C(=O)NCC(C)C)cc1 ZINC000013685099 558569094 /nfs/dbraw/zinc/56/90/94/558569094.db2.gz AZKSUKRYPZXPQB-UHFFFAOYSA-N 0 0 417.531 2.640 40 0 HFABRN CC[C@@H](C(=O)NCCc1ccc(OC)cc1)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000013713290 558577330 /nfs/dbraw/zinc/57/73/30/558577330.db2.gz KIDKZAHIJMBAIQ-FQEVSTJZSA-N 0 0 404.532 2.907 40 0 HFABRN CC[C@H](C(=O)Nc1ccc(C(=O)OC)cc1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000013715289 558578777 /nfs/dbraw/zinc/57/87/77/558578777.db2.gz NMRNNKFUWRKYHF-QGZVFWFLSA-N 0 0 408.451 2.796 40 0 HFABRN CC[C@@H](C(=O)Nc1cccc(C(=O)OC)c1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000013715963 558579197 /nfs/dbraw/zinc/57/91/97/558579197.db2.gz BMMRKTZHBXFIEC-KRWDZBQOSA-N 0 0 408.451 2.796 40 0 HFABRN C[C@H](CNS(=O)(=O)c1ccc(Cl)cc1)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000013985083 558610615 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COc1ccccc1-c1ccc(=O)n([C@@H]2CCCN(C(=O)Cc3ccccn3)C2)n1 ZINC000072335309 558936379 /nfs/dbraw/zinc/93/63/79/558936379.db2.gz WUWFLCOTUISYNE-GOSISDBHSA-N 0 0 404.470 2.720 40 0 HFABRN Cc1ccc2occ(CN3CCc4c(nc(N5CCC(C)CC5)[nH]c4=O)C3)c(=O)c2c1 ZINC000072335635 558936594 /nfs/dbraw/zinc/93/65/94/558936594.db2.gz JVGHCHSHVNKUSE-UHFFFAOYSA-N 0 0 420.513 2.979 40 0 HFABRN COc1ccc(C(=O)N2CCC[C@H]2c2nc(N(C)C)ncc2-c2ccncc2)cn1 ZINC000019585309 558938992 /nfs/dbraw/zinc/93/89/92/558938992.db2.gz NDGQYRRCJFKUHM-SFHVURJKSA-N 0 0 404.474 2.986 40 0 HFABRN COc1cc(CC(=O)N2CCC[C@H]2c2n[nH]cc2-c2ccnc(N(C)C)n2)ccc1O ZINC000019585810 558939210 /nfs/dbraw/zinc/93/92/10/558939210.db2.gz GDCQTJXSHFMMNT-KRWDZBQOSA-N 0 0 422.489 2.553 40 0 HFABRN CCS(=O)(=O)N1CCC(c2nnc([C@@H]3CCCCN3C(=O)C3CCCC3)o2)CC1 ZINC000072344887 558941314 /nfs/dbraw/zinc/94/13/14/558941314.db2.gz FAPNPWODFMYCEG-KRWDZBQOSA-N 0 0 424.567 2.843 40 0 HFABRN Cc1cccnc1CNS(=O)(=O)c1ccc2c(c1)C[C@@H](NC(=O)c1ccccc1)C2 ZINC000072345772 558942232 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401.536 2.687 40 0 HFABRN CC(=O)NCC(=O)N1CCC[C@H]1c1nc(N(C)C)ncc1-c1ccc(Cl)cc1 ZINC000019689995 558959393 /nfs/dbraw/zinc/95/93/93/558959393.db2.gz MJQBHXJKIAREDM-KRWDZBQOSA-N 0 0 401.898 2.663 40 0 HFABRN CC(=O)NCC(=O)N1CCC[C@@H]1c1nc(C)c2c(n1)N(CC1CCCCC1)CCC2 ZINC000072372933 558960698 /nfs/dbraw/zinc/96/06/98/558960698.db2.gz FQBRTJDLINYRTC-HXUWFJFHSA-N 0 0 413.566 2.918 40 0 HFABRN COC[C@@H](C)NC(=O)CN1CCC(c2ccc(Nc3ccc(F)cn3)cn2)CC1 ZINC000072374277 558961733 /nfs/dbraw/zinc/96/17/33/558961733.db2.gz YEFRWUJFXIKTSS-OAHLLOKOSA-N 0 0 401.486 2.690 40 0 HFABRN COC[C@H](C)NC(=O)CN1CCC(c2ccc(Nc3ccc(F)cn3)cn2)CC1 ZINC000072374276 558961768 /nfs/dbraw/zinc/96/17/68/558961768.db2.gz YEFRWUJFXIKTSS-HNNXBMFYSA-N 0 0 401.486 2.690 40 0 HFABRN Cc1nonc1CC(=O)N1CCC[C@H](c2nc(N(C)C)ncc2-c2cccc(F)c2)C1 ZINC000019693917 558961836 /nfs/dbraw/zinc/96/18/36/558961836.db2.gz LFDCCMAWXJARRW-INIZCTEOSA-N 0 0 424.480 2.989 40 0 HFABRN Cc1nc(CN(C)C(=O)c2cc(C3CC3)n[nH]2)nc2c1CCC(=O)N2CCC(C)C 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IAFFFTOTRNIPGV-INIZCTEOSA-N 0 0 405.458 2.613 40 0 HFABRN Cc1noc(CCC(=O)N2CCC[C@H]2c2ccc(C(=O)Nc3nccs3)cn2)n1 ZINC000019708711 558971035 /nfs/dbraw/zinc/97/10/35/558971035.db2.gz XYEDEFYISDVZCJ-HNNXBMFYSA-N 0 0 412.475 2.778 40 0 HFABRN CNc1nc([C@@H]2CCCCN2C(=O)c2scnc2C)nc2c1CN(C(C)=O)CC2 ZINC000019710268 558972050 /nfs/dbraw/zinc/97/20/50/558972050.db2.gz PODYKULEGGCNMP-INIZCTEOSA-N 0 0 414.535 2.555 40 0 HFABRN Cc1ccc(NC(=O)c2cc(=O)n(C)c3ccccc23)cc1S(=O)(=O)NC(C)C ZINC000019714365 558974154 /nfs/dbraw/zinc/97/41/54/558974154.db2.gz GYVNRWMZQUQBOZ-UHFFFAOYSA-N 0 0 413.499 2.786 40 0 HFABRN Cn1c(=O)cc(C(=O)N[C@H](CCN2CCOCC2)c2ccccc2)c2ccccc21 ZINC000019714356 558974198 /nfs/dbraw/zinc/97/41/98/558974198.db2.gz GRXWEKGRHJWFCT-OAQYLSRUSA-N 0 0 405.498 2.732 40 0 HFABRN COc1ccc2cc(CNc3ccc(N4CCN(C(C)=O)CC4)cc3)c(=O)[nH]c2c1 ZINC000072396121 558974932 /nfs/dbraw/zinc/97/49/32/558974932.db2.gz VZGJOFBVMCATOJ-UHFFFAOYSA-N 0 0 406.486 2.817 40 0 HFABRN Cc1ccnn1Cc1cc(C(=O)Nc2nc(CC(N)=O)cs2)c2ccccc2n1 ZINC000019716672 558978828 /nfs/dbraw/zinc/97/88/28/558978828.db2.gz MFRDHQXTUGSHMH-UHFFFAOYSA-N 0 0 406.471 2.525 40 0 HFABRN COc1ccccc1[C@H](CNC(=O)c1cn2cc(Cl)ccc2n1)N1CCOCC1 ZINC000019716857 558979067 /nfs/dbraw/zinc/97/90/67/558979067.db2.gz WSNRWPMEKSDMKP-SFHVURJKSA-N 0 0 414.893 2.800 40 0 HFABRN COc1ccccc1CNc1nc([C@@H](C)n2ncc3ccccc3c2=O)cc(=O)[nH]1 ZINC000019717534 558980317 /nfs/dbraw/zinc/98/03/17/558980317.db2.gz DOQSSBURKFGBSU-CQSZACIVSA-N 0 0 403.442 2.710 40 0 HFABRN O=C(CN1C(=O)CC[C@]12CCCN(c1ncc3sccc3n1)CC2)N1CCCC1 ZINC000585100646 559024204 /nfs/dbraw/zinc/02/42/04/559024204.db2.gz RQHMVKMWTLDCMD-NRFANRHFSA-N 0 0 413.547 2.665 40 0 HFABRN Cc1cc(C)nc(N2CCC3(CC[C@@H](CNC(=O)CC4CCOCC4)OC3)CC2)n1 ZINC000585101179 559024674 /nfs/dbraw/zinc/02/46/74/559024674.db2.gz LPHJHFWAANGRLX-FQEVSTJZSA-N 0 0 416.566 2.792 40 0 HFABRN Cc1noc(C)c1CN1CC[C@@]12CCCN(C(=O)c1ncn(-c3cccc(F)c3)n1)C2 ZINC000585101792 559024815 /nfs/dbraw/zinc/02/48/15/559024815.db2.gz GUSJWGBFAIUTBG-JOCHJYFZSA-N 0 0 424.480 2.892 40 0 HFABRN O=C1C[C@@]2(CN1Cc1ccccc1)COCCN(c1cc(C(F)(F)F)ncn1)C2 ZINC000585104710 559027102 /nfs/dbraw/zinc/02/71/02/559027102.db2.gz RPRDDLVPFXGQBX-LJQANCHMSA-N 0 0 406.408 2.751 40 0 HFABRN COCCN1c2cccnc2-n2cccc2[C@]12CCN(C(=O)COc1ccccc1)C2 ZINC000585107012 559029352 /nfs/dbraw/zinc/02/93/52/559029352.db2.gz OBCGLURPQUMJBE-XMMPIXPASA-N 0 0 418.497 2.845 40 0 HFABRN COc1cc(CCC(=O)NC[C@H]2OCCc3cn(Cc4ccccc4)nc32)ccn1 ZINC000585111597 559030553 /nfs/dbraw/zinc/03/05/53/559030553.db2.gz DKFAUIISKLIMGN-HXUWFJFHSA-N 0 0 406.486 2.698 40 0 HFABRN COc1ccc(C(=O)NC[C@H]2OCCc3cn(Cc4ccccc4)nc32)c(OC)c1 ZINC000585111237 559031842 /nfs/dbraw/zinc/03/18/42/559031842.db2.gz KOKCZUORPUIQKA-OAQYLSRUSA-N 0 0 407.470 2.992 40 0 HFABRN Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)/N=c1/sc2ccccc2n1C ZINC000097574863 559053271 /nfs/dbraw/zinc/05/32/71/559053271.db2.gz STOXQQASVREAJD-FMQUCBEESA-N 0 0 401.513 2.730 40 0 HFABRN COc1cccc(NC(=O)[C@@H]2Cn3ccnc3C3(CCN(C(=O)C4CCC4)CC3)O2)c1 ZINC000096144645 559096777 /nfs/dbraw/zinc/09/67/77/559096777.db2.gz FHWDEVQPAUEINJ-IBGZPJMESA-N 0 0 424.501 2.547 40 0 HFABRN CC(C)CN1CC2(CCN(c3ncccn3)CC2)COc2ccccc2S1(=O)=O ZINC000096145160 559097079 /nfs/dbraw/zinc/09/70/79/559097079.db2.gz ZLDLBJMHEXMNFK-UHFFFAOYSA-N 0 0 416.547 2.803 40 0 HFABRN O=C(c1cccnc1)N1CC[C@@H]2CN(Cc3ccc(Cl)cc3)S(=O)(=O)[C@@H]2CC1 ZINC000096145408 559097280 /nfs/dbraw/zinc/09/72/80/559097280.db2.gz UVFCMUXGLAOCNF-IEBWSBKVSA-N 0 0 419.934 2.801 40 0 HFABRN Cc1ccc(C(=O)N2CCC[C@@]3(CC(C(=O)NCc4cccnc4)=NO3)C2)cc1C ZINC000096225083 559102228 /nfs/dbraw/zinc/10/22/28/559102228.db2.gz FOMFQOPHEIQMGZ-HSZRJFAPSA-N 0 0 406.486 2.766 40 0 HFABRN Cc1cccc(NC(=O)N2CCC[C@@]3(CC(C(=O)NCc4ccncc4)=NO3)C2)c1 ZINC000096225293 559102324 /nfs/dbraw/zinc/10/23/24/559102324.db2.gz XHLWFLZSBHXHCF-JOCHJYFZSA-N 0 0 407.474 2.849 40 0 HFABRN Cc1ccc(C(=O)N2CCC[C@@]3(CC(C(=O)N(C)Cc4ccccn4)=NO3)C2)cc1F ZINC000096225247 559102358 /nfs/dbraw/zinc/10/23/58/559102358.db2.gz RHAHOUZXHVKUHU-HSZRJFAPSA-N 0 0 424.476 2.939 40 0 HFABRN CCCc1ccc(C(=O)N2CCc3nc(N4CCOCC4)nc(N(C)C)c3CC2)cc1 ZINC000096254913 559105843 /nfs/dbraw/zinc/10/58/43/559105843.db2.gz NBGBAOATOYDATE-UHFFFAOYSA-N 0 0 423.561 2.573 40 0 HFABRN O=S1(=O)c2ccccc2[C@]2(CCN(Cc3ccncc3)C2)N1Cc1cccnc1 ZINC000096261933 559106194 /nfs/dbraw/zinc/10/61/94/559106194.db2.gz BSJBCHRYHTYPCD-JOCHJYFZSA-N 0 0 406.511 2.782 40 0 HFABRN CCN1CCn2c(-c3cccc(F)c3)cnc2C12CCN(S(=O)(=O)CC)CC2 ZINC000096263308 559107140 /nfs/dbraw/zinc/10/71/40/559107140.db2.gz PKXQQEFQGSSGTQ-UHFFFAOYSA-N 0 0 406.527 2.666 40 0 HFABRN CN(CCc1ccccc1)c1ncc(C(=O)[O-])c(CCc2ccc(OCC[NH3+])cc2)n1 ZINC000585266141 559112644 /nfs/dbraw/zinc/11/26/44/559112644.db2.gz PPMSJRSBUYDNPH-UHFFFAOYSA-N 0 0 420.513 2.976 40 0 HFABRN NC(=O)C[C@@]1(COc2ccc(Cl)cc2)CN(C(=O)CCc2ccccc2)CCO1 ZINC000585287115 559122191 /nfs/dbraw/zinc/12/21/91/559122191.db2.gz SYTQPLKJBRZOSC-QFIPXVFZSA-N 0 0 416.905 2.825 40 0 HFABRN Cn1nccc1/C=C/C(=O)N1CCC(Cc2cc(Nc3nccs3)ncn2)CC1 ZINC000585292798 559124428 /nfs/dbraw/zinc/12/44/28/559124428.db2.gz SIMCIRYRCSWNBG-NSCUHMNNSA-N 0 0 409.519 2.905 40 0 HFABRN Cc1cc2nccc([C@H]3CC[C@H](CNC(=O)c4cc5c([nH]c4=O)CCC5)CC3)n2n1 ZINC000100159433 559131341 /nfs/dbraw/zinc/13/13/41/559131341.db2.gz RWYCVDFPVSVLEI-IYBDPMFKSA-N 0 0 405.502 2.919 40 0 HFABRN COc1cccc(CC(=O)N[C@H](C)c2cc(=O)n3nc(-c4cccnc4)cc3[nH]2)c1 ZINC000100744394 559139556 /nfs/dbraw/zinc/13/95/56/559139556.db2.gz XQMGNTSMFBHGML-CQSZACIVSA-N 0 0 403.442 2.925 40 0 HFABRN CS(=O)(=O)N1CCCc2ccc(NC(=O)CC[C@@H]3c4ccccc4NC3=O)cc21 ZINC000100783474 559140895 /nfs/dbraw/zinc/14/08/95/559140895.db2.gz MJUWWGFRZHHUBB-QGZVFWFLSA-N 0 0 413.499 2.853 40 0 HFABRN CC(=O)Cn1c2ccccc2c2c1CN([C@H]1CC(=O)N(c3ccccc3)C1=O)CC2 ZINC000101413408 559146832 /nfs/dbraw/zinc/14/68/32/559146832.db2.gz NSUKGTKPRVBXPG-NRFANRHFSA-N 0 0 401.466 2.921 40 0 HFABRN CCCCN(CCCC)C(=O)C(=O)C(=C(O)C(=O)OC)c1nc2ccccc2o1 ZINC000102978536 559154014 /nfs/dbraw/zinc/15/40/14/559154014.db2.gz RKQCCDZIJSMSCT-INIZCTEOSA-N 0 0 402.447 2.651 40 0 HFABRN O=C(C1=C2C(O)N(c3cccc(Cl)c3)C(=O)[C@@H]2[C@H]2C=CC=NN12)c1ccccc1 ZINC000103531971 559156201 /nfs/dbraw/zinc/15/62/01/559156201.db2.gz ZVTIOTZDNPMRGF-AKHDSKFASA-N 0 0 405.841 2.937 40 0 HFABRN O=C1C[C@@H](N2CCC3(CC2)OCCO3)C(=O)N1c1ccc(Cl)c(C(F)(F)F)c1 ZINC000104346102 559160518 /nfs/dbraw/zinc/16/05/18/559160518.db2.gz JZBNXJKJIAPSMI-CQSZACIVSA-N 0 0 418.799 2.830 40 0 HFABRN COc1ccc(N(CCCC(=O)NCc2ccccc2OC)S(C)(=O)=O)cc1 ZINC000113960923 559183717 /nfs/dbraw/zinc/18/37/17/559183717.db2.gz GIRVVPUMEABYJM-UHFFFAOYSA-N 0 0 406.504 2.566 40 0 HFABRN COC(=O)c1cccc(NC(=O)CCCN(c2ccccc2F)S(C)(=O)=O)c1 ZINC000113965520 559184396 /nfs/dbraw/zinc/18/43/96/559184396.db2.gz NJMLTKOIMUQUIO-UHFFFAOYSA-N 0 0 408.451 2.797 40 0 HFABRN CCOc1ccc(CNC(=O)CCCN(c2ccccc2OC)S(C)(=O)=O)cc1 ZINC000113967564 559184857 /nfs/dbraw/zinc/18/48/57/559184857.db2.gz PZQDQYMOFIWUKO-UHFFFAOYSA-N 0 0 420.531 2.957 40 0 HFABRN CCOc1cccc(CNC(=O)CCCN(c2ccccc2OC)S(C)(=O)=O)c1 ZINC000113967565 559184885 /nfs/dbraw/zinc/18/48/85/559184885.db2.gz ITZFFUVGQKIRAZ-UHFFFAOYSA-N 0 0 420.531 2.957 40 0 HFABRN CN(C[C@@H](O)c1ccc(O)cc1)C(=O)CN1C(=O)S/C(=C/c2ccccc2)C1=O ZINC000033543203 559209400 /nfs/dbraw/zinc/20/94/00/559209400.db2.gz HMJVHGQCFVLTQP-AUUUKSDWSA-N 0 0 412.467 2.621 40 0 HFABRN O=C(CCN1C(=O)S/C(=C\c2ccc(F)cc2)C1=O)NCCCn1ccnc1 ZINC000033589898 559217068 /nfs/dbraw/zinc/21/70/68/559217068.db2.gz QGBXLROPDDMGTO-VBKFSLOCSA-N 0 0 402.451 2.655 40 0 HFABRN COc1ccc(OC)c(N(CC(=O)N2CCCC2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000000786509 559279369 /nfs/dbraw/zinc/27/93/69/559279369.db2.gz MJAFTNNPEXOANW-UHFFFAOYSA-N 0 0 418.515 2.830 40 0 HFABRN O=C(Nc1ccc([C@H]2OCC(=O)N(Cc3ccccc3)[C@@H]2CO)cc1)c1ccco1 ZINC000072321094 560077040 /nfs/dbraw/zinc/07/70/40/560077040.db2.gz PRHCDQYOZCDKEH-DENIHFKCSA-N 0 0 406.438 2.993 40 0 biogenic,in-vitro HFABRN COc1ccc2cc(CN(CCO)C(=S)Nc3ccccc3OC)c(=O)[nH]c2c1 ZINC000000879665 560538351 /nfs/dbraw/zinc/53/83/51/560538351.db2.gz SXSZJJMLZVGJAR-UHFFFAOYSA-N 0 0 413.499 2.737 40 0 HFABRN COc1ccc2cc([C@@H](c3nnnn3Cc3ccccc3)N3CCCC3)c(=O)[nH]c2c1 ZINC000000890309 560542386 /nfs/dbraw/zinc/54/23/86/560542386.db2.gz XPEYDBYSIXXQGV-NRFANRHFSA-N 0 0 416.485 2.757 40 0 HFABRN Cc1cc(C)cc(S(=O)(=O)N2CC3(C2)C[C@@H](OCc2ccccn2)CCO3)c1 ZINC000575403390 560546959 /nfs/dbraw/zinc/54/69/59/560546959.db2.gz HSTKZYHSVBGHBV-IBGZPJMESA-N 0 0 402.516 2.837 40 0 HFABRN COc1ccc(C(O)=C2[C@@H](c3ccc(O)cc3)NC(=O)N[C@]2(O)C(F)(F)F)cc1 ZINC000000909088 560554551 /nfs/dbraw/zinc/55/45/51/560554551.db2.gz GXUUTOPJQGIEKX-IIDMSEBBSA-N 0 0 410.348 2.505 40 0 HFABRN CCc1ccccc1NC(=O)CSc1nnc(Cn2nnc3ccccc32)n1C ZINC000000919751 560554937 /nfs/dbraw/zinc/55/49/37/560554937.db2.gz XKOLUOFGROVPJX-UHFFFAOYSA-N 0 0 407.503 2.901 40 0 HFABRN CCn1c(Cn2nnc(-c3ccccc3)n2)nnc1SCC(=O)Nc1ccccc1 ZINC000000922118 560556199 /nfs/dbraw/zinc/55/61/99/560556199.db2.gz PFEMVQSQHVSTDC-UHFFFAOYSA-N 0 0 420.502 2.731 40 0 HFABRN COc1cccc(OCc2nnc(SCC(=O)NCCc3ccccc3)n2C)c1 ZINC000000929223 560557522 /nfs/dbraw/zinc/55/75/22/560557522.db2.gz YNTWQFATOIGVTH-UHFFFAOYSA-N 0 0 412.515 2.854 40 0 HFABRN CC1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N[C@H]3C[C@H]4CC[C@@H]3C4)cc2)CC1 ZINC000000931238 560558152 /nfs/dbraw/zinc/55/81/52/560558152.db2.gz IXXXJPNNEIBGNW-FCEWJHQRSA-N 0 0 412.577 2.574 40 0 HFABRN CCOc1ccccc1NC(=O)CSc1nnnn1-c1cc(OC)cc(OC)c1 ZINC000000932276 560558450 /nfs/dbraw/zinc/55/84/50/560558450.db2.gz RKZYDYQBOTWHHJ-UHFFFAOYSA-N 0 0 415.475 2.809 40 0 HFABRN COc1cc(OC)cc(-n2nnnc2SCC(=O)Nc2cccc(C(C)=O)c2)c1 ZINC000000932277 560558470 /nfs/dbraw/zinc/55/84/70/560558470.db2.gz ZDLAXTKUVPYZGT-UHFFFAOYSA-N 0 0 413.459 2.613 40 0 HFABRN CCc1nnc(NC(=O)CSc2nnc(COc3ccccc3C)n2C)s1 ZINC000000933583 560559305 /nfs/dbraw/zinc/55/93/05/560559305.db2.gz ZPCJPKPKJFADHY-UHFFFAOYSA-N 0 0 404.521 2.847 40 0 HFABRN CCOC(=O)CSc1nnc2n(CC(=O)NC3CCCCC3)c3ccccc3n12 ZINC000001325795 560573235 /nfs/dbraw/zinc/57/32/35/560573235.db2.gz 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Cc1cc2ncc(CN(C)C)c([C@@H]3CCCN3S(=O)(=O)c3ccc(F)cc3)n2n1 ZINC000019743510 558263957 /nfs/dbraw/zinc/26/39/57/558263957.db2.gz RRHCPCPZYDSBQY-SFHVURJKSA-N 0 0 417.510 2.764 40 0 HFABRN COCCN1CCCC[C@@H](C2CCN(C(=O)c3n[nH]c4c3CCCCC4)CC2)C1=O ZINC000019744093 558264445 /nfs/dbraw/zinc/26/44/45/558264445.db2.gz BBVAHCWRSYFMON-SFHVURJKSA-N 0 0 416.566 2.806 40 0 HFABRN CCC(=O)N1CCC[C@H](c2nc3c(c(C)n2)CC(=O)N3Cc2ccc(OC)cc2)C1 ZINC000019744422 558264687 /nfs/dbraw/zinc/26/46/87/558264687.db2.gz SXSDVKJJTHRXGC-KRWDZBQOSA-N 0 0 408.502 2.999 40 0 HFABRN C[C@@H](CN(C)C(=O)c1ccc(=O)n(CC(=O)Nc2nccs2)c1)c1ccccc1 ZINC000019749221 558268452 /nfs/dbraw/zinc/26/84/52/558268452.db2.gz XNCGZMXZXZNWDU-HNNXBMFYSA-N 0 0 410.499 2.819 40 0 HFABRN O=C(Cn1cc(C(=O)Nc2cccc(-n3cccn3)c2)ccc1=O)NC1CCCCC1 ZINC000019751055 558271035 /nfs/dbraw/zinc/27/10/35/558271035.db2.gz XXVZVDVKEFJDEE-UHFFFAOYSA-N 0 0 419.485 2.735 40 0 HFABRN Cc1nc([C@H]2CCCCN2C(=O)Cc2ccccc2)ncc1C(=O)N1CCOCC1 ZINC000019751830 558271799 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COc1ccc(-c2cc3nc([C@H](C)NC(=O)C[C@@H]4CC(C)(C)OC4=O)nn3cn2)cc1 ZINC000012085179 558321163 /nfs/dbraw/zinc/32/11/63/558321163.db2.gz QCOAFNCXOVNEQT-DZGCQCFKSA-N 0 0 423.473 2.709 40 0 HFABRN CCCNS(=O)(=O)c1ccc(OCC(=O)N[C@H]2CCCc3ccccc32)cc1 ZINC000020019705 558321188 /nfs/dbraw/zinc/32/11/88/558321188.db2.gz UDRIQCCHUXWYNQ-FQEVSTJZSA-N 0 0 402.516 2.948 40 0 HFABRN COc1ccccc1[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)NC(C)C)cc1C ZINC000020021740 558321412 /nfs/dbraw/zinc/32/14/12/558321412.db2.gz BMBILYZIIGMFEQ-MRXNPFEDSA-N 0 0 420.531 2.947 40 0 HFABRN CCN(c1ccc(OCC(=O)N[C@@H](C)c2ccccc2OC)cc1)S(C)(=O)=O ZINC000020030533 558324480 /nfs/dbraw/zinc/32/44/80/558324480.db2.gz GDCLPOLTCQIWPA-HNNXBMFYSA-N 0 0 406.504 2.737 40 0 HFABRN Cc1nccn1-c1ccc(CNC(=O)CN(c2cccc(C)c2)S(C)(=O)=O)cc1 ZINC000020041651 558326113 /nfs/dbraw/zinc/32/61/13/558326113.db2.gz VACHPDKJYGNDJA-UHFFFAOYSA-N 0 0 412.515 2.572 40 0 HFABRN Cc1cccc(C)c1NC(=O)CN1CCC(Nc2nc3c(c(=O)[nH]2)CCCC3)CC1 ZINC000012113689 558327124 /nfs/dbraw/zinc/32/71/24/558327124.db2.gz CGYCOQURUBPXHI-UHFFFAOYSA-N 0 0 409.534 2.781 40 0 HFABRN CCOc1ccccc1CNC(=O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000020046424 558327629 /nfs/dbraw/zinc/32/76/29/558327629.db2.gz STFPGXNYNIUDQT-UHFFFAOYSA-N 0 0 416.543 2.944 40 0 HFABRN Cc1cc2c(cc3c(=O)n(CC(=O)N(Cc4ccccn4)C4CC4)nc(C)n23)s1 ZINC000012115369 558327821 /nfs/dbraw/zinc/32/78/21/558327821.db2.gz GBHHJJYTSKRSGY-UHFFFAOYSA-N 0 0 407.499 2.914 40 0 HFABRN O=c1[nH]c(=O)c2cc(S(=O)(=O)Nc3cccc(-c4ccc(F)cc4)c3)ccc2[nH]1 ZINC000012117119 558328844 /nfs/dbraw/zinc/32/88/44/558328844.db2.gz LSERCRBYEPQVEK-UHFFFAOYSA-N 0 0 411.414 2.823 40 0 HFABRN COc1cccc(-c2cc(C(=O)N3C[C@@H]4c5nc(C)[nH]c(=O)c5CC[C@@H]4C3)no2)c1 ZINC000012120121 558330561 /nfs/dbraw/zinc/33/05/61/558330561.db2.gz VUQAMJTVDAWBBC-PBHICJAKSA-N 0 0 406.442 2.544 40 0 HFABRN CS(=O)(=O)Nc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1Cl ZINC000020106711 558333769 /nfs/dbraw/zinc/33/37/69/558333769.db2.gz FBUPCZOXPNBFKU-UHFFFAOYSA-N 0 0 411.886 2.813 40 0 HFABRN COc1ccc([C@@H]2C[C@H](OC(=O)CCn3c4ccccc4oc3=O)C(=O)N2C)cc1 ZINC000012143232 558335174 /nfs/dbraw/zinc/33/51/74/558335174.db2.gz GNRFOMQIEJHWRR-HKUYNNGSSA-N 0 0 410.426 2.508 40 0 HFABRN COc1ccc(-c2nnn(C3CCN(C(=O)CCc4cc(Cl)no4)CC3)n2)cc1 ZINC000012143212 558335182 /nfs/dbraw/zinc/33/51/82/558335182.db2.gz GFPWJMYUGRLFBB-UHFFFAOYSA-N 0 0 416.869 2.786 40 0 HFABRN O=C(NCc1ccc2c(c1)OCO2)c1ccc(CS(=O)(=O)N2CCCCC2)cc1 ZINC000020111214 558335846 /nfs/dbraw/zinc/33/58/46/558335846.db2.gz OTJSJTZPEVYMHW-UHFFFAOYSA-N 0 0 416.499 2.661 40 0 HFABRN Cc1sc2nc(C3CC3)n(C3CCN(CC(=O)NC4CC4)CC3)c(=O)c2c1C ZINC000012145317 558336536 /nfs/dbraw/zinc/33/65/36/558336536.db2.gz OTBULRQEVDAFSO-UHFFFAOYSA-N 0 0 400.548 2.868 40 0 HFABRN CC(C)(C)C1=NN(CC(=O)NCCCn2ccnc2)C(=O)c2cc3ccccc3n2C1 ZINC000012145903 558337344 /nfs/dbraw/zinc/33/73/44/558337344.db2.gz FKBQRRMDBXEDDK-UHFFFAOYSA-N 0 0 420.517 2.902 40 0 HFABRN Cc1cc(-c2cnc(NC3CC3)nc2CN(C)S(=O)(=O)c2ccc(F)cc2)on1 ZINC000012160082 558341588 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400.504 2.570 40 0 HFABRN Cc1cccc(CCCNC(=O)c2ccc(CS(=O)(=O)N3CCOCC3)cc2)c1 ZINC000020455651 558369107 /nfs/dbraw/zinc/36/91/07/558369107.db2.gz HBJFQMXYNSQIKI-UHFFFAOYSA-N 0 0 416.543 2.520 40 0 HFABRN COC(=O)c1ccc(C)c(NC(=O)c2ccc(CS(=O)(=O)N3CCCC3)cc2)c1 ZINC000020455674 558369163 /nfs/dbraw/zinc/36/91/63/558369163.db2.gz HOHOMYSIPQEZEM-UHFFFAOYSA-N 0 0 416.499 2.960 40 0 HFABRN O=C1C[C@H](N2CCN(Cc3ccccc3)CC2)C(=O)N1c1ccc(F)c(Cl)c1 ZINC000020522565 558383695 /nfs/dbraw/zinc/38/36/95/558383695.db2.gz ZUGBJJOWVPLXFG-IBGZPJMESA-N 0 0 401.869 2.929 40 0 HFABRN Cc1ccc(N2CCCC2=O)cc1S(=O)(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000012362145 558387144 /nfs/dbraw/zinc/38/71/44/558387144.db2.gz FEYSJGVFFDBGQZ-LJQANCHMSA-N 0 0 413.543 2.675 40 0 HFABRN COCCOC(=O)c1nnc2c(-c3ccc(Br)cc3)c(C)nn2c1C ZINC000020633666 558395236 /nfs/dbraw/zinc/39/52/36/558395236.db2.gz ISHYCKXIKREBJS-UHFFFAOYSA-N 0 0 405.252 2.974 40 0 HFABRN COC(=O)CSc1nc2nc(C)c(-c3ccc(Br)cc3)c(N)n2n1 ZINC000020676290 558400122 /nfs/dbraw/zinc/40/01/22/558400122.db2.gz FZIMUEQCLINLKD-UHFFFAOYSA-N 0 0 408.281 2.710 40 0 HFABRN COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCCCC2)cc1C ZINC000022247170 558472540 /nfs/dbraw/zinc/47/25/40/558472540.db2.gz KNNNLSGUZIXLCY-FQEVSTJZSA-N 0 0 416.543 2.906 40 0 HFABRN COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CN(c1ccccc1)S(C)(=O)=O ZINC000022326658 558478322 /nfs/dbraw/zinc/47/83/22/558478322.db2.gz BVTFVNKLWBWLLD-GOSISDBHSA-N 0 0 418.515 2.880 40 0 HFABRN COc1ccc2c(c1)[C@@H](NC(=O)CN(c1ccccc1)S(C)(=O)=O)CC(C)(C)O2 ZINC000022326651 558478356 /nfs/dbraw/zinc/47/83/56/558478356.db2.gz JCFIGBGHMCTFTP-SFHVURJKSA-N 0 0 418.515 2.880 40 0 HFABRN CCOc1ccc(CCCNC(=O)CN(c2ccccc2C)S(C)(=O)=O)cc1 ZINC000022326950 558478602 /nfs/dbraw/zinc/47/86/02/558478602.db2.gz CYKLDIWHEWFHCE-UHFFFAOYSA-N 0 0 404.532 2.909 40 0 HFABRN Cc1ccc(N(CC(=O)N[C@H](C)COc2ccccc2C)S(C)(=O)=O)cc1C ZINC000022329607 558479442 /nfs/dbraw/zinc/47/94/42/558479442.db2.gz KPYHPZQIASRAIV-GOSISDBHSA-N 0 0 404.532 2.962 40 0 HFABRN CC[C@H](NC(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O)c1ccc(OC)cc1 ZINC000022332764 558480297 /nfs/dbraw/zinc/48/02/97/558480297.db2.gz MJIGVGSRDNGWIG-IBGZPJMESA-N 0 0 406.504 2.737 40 0 HFABRN CCOc1ccccc1N(CC(=O)NCCCc1cccc(OC)c1)S(C)(=O)=O ZINC000022332851 558480528 /nfs/dbraw/zinc/48/05/28/558480528.db2.gz VDMYICKBRJSPRW-UHFFFAOYSA-N 0 0 420.531 2.609 40 0 HFABRN COc1ccc(N(CC(=O)N[C@@H](C)c2ccc(C)c(C)c2)S(C)(=O)=O)c(OC)c1 ZINC000022333743 558480670 /nfs/dbraw/zinc/48/06/70/558480670.db2.gz LCHUSPHXWYEZKB-INIZCTEOSA-N 0 0 420.531 2.964 40 0 HFABRN COc1ccc(OC)c(N(CC(=O)N[C@H](C)c2ccc(C)c(C)c2)S(C)(=O)=O)c1 ZINC000022334074 558480894 /nfs/dbraw/zinc/48/08/94/558480894.db2.gz PAWRYYCEILLGSY-MRXNPFEDSA-N 0 0 420.531 2.964 40 0 HFABRN COc1ccc(CCCNC(=O)CN(c2c(C)cccc2C)S(C)(=O)=O)cc1 ZINC000022338533 558481849 /nfs/dbraw/zinc/48/18/49/558481849.db2.gz SYEJSERKUBIOFC-UHFFFAOYSA-N 0 0 404.532 2.827 40 0 HFABRN Cc1cccc(N(CC(=O)N[C@H](C)COc2ccccc2C)S(C)(=O)=O)c1C ZINC000022340691 558482325 /nfs/dbraw/zinc/48/23/25/558482325.db2.gz WHHFUMRNRGHBMR-QGZVFWFLSA-N 0 0 404.532 2.962 40 0 HFABRN CCc1ccc(N(CC(=O)N[C@H](C)COc2ccccc2C)S(C)(=O)=O)cc1 ZINC000022361722 558483018 /nfs/dbraw/zinc/48/30/18/558483018.db2.gz AGQVHYJWMVXSRJ-QGZVFWFLSA-N 0 0 404.532 2.907 40 0 HFABRN CCOc1cccc(N(CC(=O)Nc2ccc(OC)cc2OC)S(C)(=O)=O)c1 ZINC000022381961 558484824 /nfs/dbraw/zinc/48/48/24/558484824.db2.gz VVKGXJDDCANINJ-UHFFFAOYSA-N 0 0 408.476 2.507 40 0 HFABRN CCOc1cccc(N(CC(=O)NCc2cccc(OC(C)C)c2)S(C)(=O)=O)c1 ZINC000022400671 558487335 /nfs/dbraw/zinc/48/73/35/558487335.db2.gz XDFOJYKOFWMOEN-UHFFFAOYSA-N 0 0 420.531 2.955 40 0 HFABRN CCOC(=O)c1ccc(NC(=O)CN(c2ccccc2)S(C)(=O)=O)cc1Cl ZINC000022432074 558489476 /nfs/dbraw/zinc/48/94/76/558489476.db2.gz XGXMMVISVDVONB-UHFFFAOYSA-N 0 0 410.879 2.921 40 0 HFABRN CCOc1ccccc1N(CC(=O)N[C@@H](C)c1ccc(OC)cc1)S(C)(=O)=O ZINC000022515377 558493741 /nfs/dbraw/zinc/49/37/41/558493741.db2.gz OVQDOLKXWJWSQK-HNNXBMFYSA-N 0 0 406.504 2.737 40 0 HFABRN CCOc1ccccc1N(CC(=O)NCc1ccc(OC(C)C)cc1)S(C)(=O)=O ZINC000022530409 558496728 /nfs/dbraw/zinc/49/67/28/558496728.db2.gz VLZQFSZPDCDSOS-UHFFFAOYSA-N 0 0 420.531 2.955 40 0 HFABRN CC1CCN(c2nc3c(c(=O)[nH]2)[C@@H](C(=O)Nc2ccc(Cl)cc2)CC(=O)N3)CC1 ZINC000022610073 558501542 /nfs/dbraw/zinc/50/15/42/558501542.db2.gz HDAYQIRTLBGWFZ-AWEZNQCLSA-N 0 0 415.881 2.724 40 0 HFABRN Cc1ccc(C)c(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCC(C)CC4)[nH]c(=O)c32)c1 ZINC000022610327 558501630 /nfs/dbraw/zinc/50/16/30/558501630.db2.gz GUZPOCOIYCNRBY-OAHLLOKOSA-N 0 0 409.490 2.688 40 0 HFABRN CC1CCN(c2nc3c(c(=O)[nH]2)[C@H](C(=O)Nc2ccccc2Cl)CC(=O)N3)CC1 ZINC000022610260 558501638 /nfs/dbraw/zinc/50/16/38/558501638.db2.gz UEXBFQKFRDRADN-GFCCVEGCSA-N 0 0 415.881 2.724 40 0 HFABRN CCc1ccccc1NC(=O)[C@H]1CC(=O)Nc2nc(N3CCC(C)CC3)[nH]c(=O)c21 ZINC000022610282 558501700 /nfs/dbraw/zinc/50/17/00/558501700.db2.gz VRAUMBPVEQEHLY-HNNXBMFYSA-N 0 0 409.490 2.633 40 0 HFABRN CC1CCN(c2nc3c(c(=O)[nH]2)[C@H](C(=O)Nc2cccc(Cl)c2)CC(=O)N3)CC1 ZINC000022610169 558501707 /nfs/dbraw/zinc/50/17/07/558501707.db2.gz NOQHBEOUWZWNJS-CQSZACIVSA-N 0 0 415.881 2.724 40 0 HFABRN CCc1nn2c(nnc3c2ccn(-c2nnc(C)[nH]2)c3=O)c1-c1cccc(Cl)c1 ZINC000022610721 558501845 /nfs/dbraw/zinc/50/18/45/558501845.db2.gz JAQVFPZJWNHEGN-UHFFFAOYSA-N 0 0 406.837 2.738 40 0 HFABRN Cn1c2[nH]c(CCCCCCCCc3nc4ccccc4[nH]3)nc2c(=O)n(C)c1=O ZINC000013284733 558529146 /nfs/dbraw/zinc/52/91/46/558529146.db2.gz YROFFLLIXZJIPV-UHFFFAOYSA-N 0 0 408.506 2.962 40 0 HFABRN O=C1[C@H]2[C@@H](C(=O)N1C1CCCCC1)C1C=CC2[C@@H]2C(=O)N(C3CCCCC3)C(=O)[C@H]21 ZINC000013471813 558533940 /nfs/dbraw/zinc/53/39/40/558533940.db2.gz MCOZDZJHNKOQRG-GJTWTXHOSA-N 0 0 410.514 2.670 40 0 HFABRN COc1ccc(S(=O)(=O)N2CCC(C(=O)N(C)c3ccccc3)CC2)cc1OC ZINC000023132907 558537375 /nfs/dbraw/zinc/53/73/75/558537375.db2.gz GENYQRVEBREBBO-UHFFFAOYSA-N 0 0 418.515 2.768 40 0 HFABRN COc1cc(C)c(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc1OC ZINC000013546910 558538063 /nfs/dbraw/zinc/53/80/63/558538063.db2.gz FTNXPIRVNGOEJS-CXUHLZMHSA-N 0 0 413.405 2.683 40 0 HFABRN COc1ccc(F)cc1S(=O)(=O)N1CCC[C@@H](C(=O)N(C)Cc2ccccc2)C1 ZINC000013580780 558544363 /nfs/dbraw/zinc/54/43/63/558544363.db2.gz DYNYMSKFXFLLOJ-QGZVFWFLSA-N 0 0 420.506 2.894 40 0 HFABRN CCN(CC(=O)N[C@H](C)CCc1ccccc1)S(=O)(=O)c1cc(F)ccc1OC ZINC000013581292 558544746 /nfs/dbraw/zinc/54/47/46/558544746.db2.gz ZQJITUHJEAIIRT-MRXNPFEDSA-N 0 0 422.522 2.982 40 0 HFABRN CCOC(=O)c1cccc(NC(=O)CN(c2ccccc2OC)S(C)(=O)=O)c1C ZINC000013631787 558552240 /nfs/dbraw/zinc/55/22/40/558552240.db2.gz VLXBYMQUFYHJKC-UHFFFAOYSA-N 0 0 420.487 2.585 40 0 HFABRN COC(=O)c1cccc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2OC)c1 ZINC000013648756 558557760 /nfs/dbraw/zinc/55/77/60/558557760.db2.gz RYRVQMQIEDFWAW-UHFFFAOYSA-N 0 0 418.471 2.519 40 0 HFABRN COc1ccc(C)cc1N(CC(=O)NCCCc1cccc(C)c1)S(C)(=O)=O ZINC000013672615 558563231 /nfs/dbraw/zinc/56/32/31/558563231.db2.gz CAFCKGBDNJSEKV-UHFFFAOYSA-N 0 0 404.532 2.827 40 0 HFABRN CCOC(=O)c1cccc(NC(=O)CN(c2ccccc2CC)S(C)(=O)=O)c1 ZINC000013674194 558563618 /nfs/dbraw/zinc/56/36/18/558563618.db2.gz IESNWYRTYNWKPO-UHFFFAOYSA-N 0 0 404.488 2.830 40 0 HFABRN COC[C@H](C)NC(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000013682339 558567333 /nfs/dbraw/zinc/56/73/33/558567333.db2.gz VMYKDEIXOFJVNI-LBPRGKRZSA-N 0 0 423.362 2.686 40 0 HFABRN CC[C@@H](C(=O)NCCc1ccc(OC)c(OC)c1)N(c1ccccc1)S(C)(=O)=O ZINC000013711216 558576045 /nfs/dbraw/zinc/57/60/45/558576045.db2.gz UQBLCLXKYHKQEH-SFHVURJKSA-N 0 0 420.531 2.607 40 0 HFABRN CC[C@H](C(=O)N1CCN(c2ccccc2)CC1)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000013713207 558577207 /nfs/dbraw/zinc/57/72/07/558577207.db2.gz ZUQGVRWRZYYKSM-OAQYLSRUSA-N 0 0 415.559 2.888 40 0 HFABRN CC[C@@H](C(=O)N1CCN(c2ccccc2)CC1)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000013713210 558577226 /nfs/dbraw/zinc/57/72/26/558577226.db2.gz ZUQGVRWRZYYKSM-NRFANRHFSA-N 0 0 415.559 2.888 40 0 HFABRN CCSc1nnc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2C)s1 ZINC000014740222 558666433 /nfs/dbraw/zinc/66/64/33/558666433.db2.gz GWSKLPFTUDWUMT-UHFFFAOYSA-N 0 0 412.562 2.995 40 0 HFABRN CCOC(=O)c1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000014908871 558679073 /nfs/dbraw/zinc/67/90/73/558679073.db2.gz CYOOPYFQYJFCFM-UHFFFAOYSA-N 0 0 410.879 2.776 40 0 HFABRN O=C1C[C@@H](N2CCN(c3nc4ccccc4s3)CC2)C(=O)N1Cc1ccc(F)cc1 ZINC000014944612 558679828 /nfs/dbraw/zinc/67/98/28/558679828.db2.gz XPUDZCBADKOHHX-GOSISDBHSA-N 0 0 424.501 2.885 40 0 HFABRN CCOC(=O)c1ccc(NC(=S)N2CCN(C(=O)Cc3ccccc3)CC2)cc1 ZINC000015080367 558718750 /nfs/dbraw/zinc/71/87/50/558718750.db2.gz KHBJEXPTBGMZIP-UHFFFAOYSA-N 0 0 411.527 2.947 40 0 HFABRN Cc1cc(O[C@@H](C)C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)ccc1Cl ZINC000015361053 558735810 /nfs/dbraw/zinc/73/58/10/558735810.db2.gz SUIGGCDFVRMHNO-INIZCTEOSA-N 0 0 422.934 2.949 40 0 HFABRN CCOc1cccc(CNS(=O)(=O)c2ccc(OC)c(C(=O)NC(C)C)c2)c1 ZINC000030851294 558739975 /nfs/dbraw/zinc/73/99/75/558739975.db2.gz PFDQWDLAFMHYRZ-UHFFFAOYSA-N 0 0 406.504 2.711 40 0 HFABRN CC[C@@H](Oc1cccc(OC)c1)C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000030873992 558743783 /nfs/dbraw/zinc/74/37/83/558743783.db2.gz DYBXEMNHCQJDJQ-HXUWFJFHSA-N 0 0 418.515 2.692 40 0 HFABRN CC(=O)N[C@H]1CC[C@]2(C)CC[C@H]([C@H](C)C(=O)NCc3ccccn3)[C@H](O)[C@H]2[C@@H]1C ZINC000030883659 558743929 /nfs/dbraw/zinc/74/39/29/558743929.db2.gz NYENVSTVALLFTQ-QCFJBSCTSA-N 0 0 401.551 2.662 40 0 biogenic,in-vitro HFABRN C[C@@H](CCc1ccccc1)NC(=O)[C@@H]1CCN(S(C)(=O)=O)c2ccccc2O1 ZINC000030943948 558746185 /nfs/dbraw/zinc/74/61/85/558746185.db2.gz XDYRCAVHIAEEBH-JXFKEZNVSA-N 0 0 402.516 2.741 40 0 HFABRN COc1ccc(CN(C)C(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1 ZINC000030946200 558746514 /nfs/dbraw/zinc/74/65/14/558746514.db2.gz YNBWHPXKEBFLHM-SFHVURJKSA-N 0 0 424.906 2.534 40 0 HFABRN O=C(Nc1ccccc1C(=O)NC[C@@H]1CCCO1)c1cccc(N2CCCC2=O)c1 ZINC000015639304 558747225 /nfs/dbraw/zinc/74/72/25/558747225.db2.gz JTCHUNGSMLMKRG-SFHVURJKSA-N 0 0 407.470 2.975 40 0 HFABRN O=C(Nc1ccccc1C(=O)NC[C@H]1CCCO1)c1ccc(N2CCCC2=O)cc1 ZINC000015638633 558747236 /nfs/dbraw/zinc/74/72/36/558747236.db2.gz LBWYMUSVESBHFI-GOSISDBHSA-N 0 0 407.470 2.975 40 0 HFABRN O=C(NC1CCCC1)[C@H]1[C@@H]2C=C[C@@]3(CN(CCc4c[nH]c5ccccc45)C(=O)[C@@H]13)O2 ZINC000015894195 558760871 /nfs/dbraw/zinc/76/08/71/558760871.db2.gz BKUUIFFOXCFCCJ-JCUDRXCFSA-N 0 0 405.498 2.551 40 0 biogenic HFABRN COc1ccc(NC(=O)[C@@H]2[C@@H]3C=C[C@@]4(CN(CCc5ccccc5)C(=O)[C@@H]24)O3)cc1 ZINC000015894280 558761115 /nfs/dbraw/zinc/76/11/15/558761115.db2.gz IGFUJEZUANXSMD-BLRYILKCSA-N 0 0 404.466 2.658 40 0 biogenic HFABRN CC(=O)Nc1cccc(NC(=O)CN(C)S(=O)(=O)c2c(C)cc(C)cc2C)c1 ZINC000016267527 558782509 /nfs/dbraw/zinc/78/25/09/558782509.db2.gz BRMFWPBJMHVZIO-UHFFFAOYSA-N 0 0 403.504 2.829 40 0 HFABRN CC1=NC(=O)C(C(c2ccc(Br)cc2)C2C(=O)N=C(C)NC2=O)C(=O)N1 ZINC000016363264 558788192 /nfs/dbraw/zinc/78/81/92/558788192.db2.gz MIWCVNMPPDNZBI-UHFFFAOYSA-N 0 0 419.235 2.649 40 0 HFABRN Cc1ccccc1[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)N(C)C)C1)c1ccccc1 ZINC000036067524 558797515 /nfs/dbraw/zinc/79/75/15/558797515.db2.gz PGCRKRMDDMOXCN-TZIWHRDSSA-N 0 0 415.559 2.719 40 0 HFABRN CC(C)C(=O)N1CCCc2cc([C@H](O)CN3CCN(c4ccccn4)CC3)ccc21 ZINC000036741221 558802117 /nfs/dbraw/zinc/80/21/17/558802117.db2.gz BVLYZUXNIRKKNG-JOCHJYFZSA-N 0 0 408.546 2.872 40 0 HFABRN COc1ccccc1-c1noc(CCC(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)n1 ZINC000036752310 558802779 /nfs/dbraw/zinc/80/27/79/558802779.db2.gz FDASDABAMUJONB-UHFFFAOYSA-N 0 0 407.430 2.507 40 0 HFABRN Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)C[NH+]3CCCCCC3)cc2)n1 ZINC000016740477 558803297 /nfs/dbraw/zinc/80/32/97/558803297.db2.gz FYWHFTZPVULUMF-UHFFFAOYSA-N 0 0 417.535 2.709 40 0 HFABRN Cc1cc(Br)ccc1NC(=O)CSc1nnc(-c2ccccn2)n1N ZINC000016756039 558805617 /nfs/dbraw/zinc/80/56/17/558805617.db2.gz TWPLBQLWZJNUDY-UHFFFAOYSA-N 0 0 419.308 2.856 40 0 HFABRN CCOc1cccc(-c2nnc(SCC(=O)Nc3ccc4c(c3)OCO4)n2N)c1 ZINC000016755953 558805653 /nfs/dbraw/zinc/80/56/53/558805653.db2.gz PWRNWCSABTUSRG-UHFFFAOYSA-N 0 0 413.459 2.517 40 0 HFABRN CCNC(=O)c1cc(S(=O)(=O)N[C@H](CC)c2ccc(OC)cc2)ccc1OC ZINC000038755868 558814685 /nfs/dbraw/zinc/81/46/85/558814685.db2.gz DSELFSSRXOKRKU-GOSISDBHSA-N 0 0 406.504 2.883 40 0 HFABRN CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2cccc(C(C)=O)c2)cc1 ZINC000039986132 558823844 /nfs/dbraw/zinc/82/38/44/558823844.db2.gz LAFQKWAPTPVLEL-UHFFFAOYSA-N 0 0 404.488 2.937 40 0 HFABRN CCOc1ccc(S(=O)(=O)N(CC)CC(=O)NCc2ccc(OC)cc2)cc1C ZINC000039986232 558823955 /nfs/dbraw/zinc/82/39/55/558823955.db2.gz GRPWRFNWUJGWLV-UHFFFAOYSA-N 0 0 420.531 2.729 40 0 HFABRN Cc1ccc(OCCNC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 ZINC000017796710 558828031 /nfs/dbraw/zinc/82/80/31/558828031.db2.gz DKBUXFJWVHKRSY-UHFFFAOYSA-N 0 0 416.543 2.899 40 0 HFABRN COc1ccccc1[C@@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000017970398 558829003 /nfs/dbraw/zinc/82/90/03/558829003.db2.gz USTSOWSCIIWOPN-MRXNPFEDSA-N 0 0 402.516 2.973 40 0 HFABRN CCOC(=O)c1sc(NC(=O)c2cnn3cccnc23)c(C(=O)OCC)c1C ZINC000018210313 558833642 /nfs/dbraw/zinc/83/36/42/558833642.db2.gz SPVWKDZUEIBPLR-UHFFFAOYSA-N 0 0 402.432 2.705 40 0 HFABRN C[C@H](C(=O)NCc1cccnc1)N1CC[C@]2(CC(=O)c3ccccc3O2)CCC1=O ZINC000019080435 558839113 /nfs/dbraw/zinc/83/91/13/558839113.db2.gz JUJWBEOLXZNVGJ-MWTRTKDXSA-N 0 0 407.470 2.503 40 0 HFABRN Cc1cc(C(F)(F)F)nn1CC(=O)N1CCC(c2nnc3n2CCCCC3)CC1 ZINC000019119154 558842755 /nfs/dbraw/zinc/84/27/55/558842755.db2.gz VUFDUWBXFIESKL-UHFFFAOYSA-N 0 0 410.444 2.934 40 0 HFABRN COc1ccccc1CN(C)C(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000048097898 558843007 /nfs/dbraw/zinc/84/30/07/558843007.db2.gz TZXSKPWJKCEMEY-SFHVURJKSA-N 0 0 402.516 2.755 40 0 HFABRN Cc1ccc(=O)n(CC(=O)N2CCCC[C@H]2c2nc(-c3ccsc3)cc(=O)[nH]2)n1 ZINC000019131036 558845315 /nfs/dbraw/zinc/84/53/15/558845315.db2.gz ADFAPIUHSRHBJO-INIZCTEOSA-N 0 0 411.487 2.530 40 0 HFABRN CC(=O)N1CCc2c(nc([C@@H]3CCN(C(=O)[C@H](C)c4ccc(C)cc4)C3)[nH]c2=O)C1 ZINC000019135679 558846167 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BKLYJQAZAAIOEX-UHFFFAOYSA-N 0 0 422.595 2.869 40 0 HFABRN COc1ccccc1OC[C@H](O)CNc1c(C)c(C)nc2cc(-c3nccn3C)nn21 ZINC000072338524 558938289 /nfs/dbraw/zinc/93/82/89/558938289.db2.gz RGAZYTYYRLWDPU-MRXNPFEDSA-N 0 0 422.489 2.607 40 0 HFABRN CN(C)c1cc(C2CCN(C(=O)Cc3ccccc3)CC2)nc(-c2cnccn2)n1 ZINC000019584716 558938676 /nfs/dbraw/zinc/93/86/76/558938676.db2.gz BPSZXIKZWQUJBU-UHFFFAOYSA-N 0 0 402.502 2.948 40 0 HFABRN CN(C(=O)CN1c2c(cnn2-c2ccccc2)C2=NCCN2C1=O)C1CCCCC1 ZINC000019585839 558939207 /nfs/dbraw/zinc/93/92/07/558939207.db2.gz QPGUQPALSOAWEG-UHFFFAOYSA-N 0 0 406.490 2.666 40 0 HFABRN Cc1ccc2oc(=O)n(CCNC(=O)c3sccc3S(=O)(=O)C(C)(C)C)c2c1 ZINC000072343131 558940942 /nfs/dbraw/zinc/94/09/42/558940942.db2.gz UMLJZANJGQUAPB-UHFFFAOYSA-N 0 0 422.528 2.967 40 0 HFABRN CCS(=O)(=O)N1CCCC[C@H]1c1nnc(C2CCN(C(=O)C3CCCC3)CC2)o1 ZINC000072344912 558941321 /nfs/dbraw/zinc/94/13/21/558941321.db2.gz OZIPTIOVSKEVLZ-KRWDZBQOSA-N 0 0 424.567 2.843 40 0 HFABRN 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558947940 /nfs/dbraw/zinc/94/79/40/558947940.db2.gz NWLLLBTZVKIWJN-FCHUYYIVSA-N 0 0 419.525 2.542 40 0 HFABRN Cc1cc(C)n(CCc2nnc(NC(=O)[C@@H]3CC(=O)N(C4CCCCC4)C3)s2)n1 ZINC000019654831 558948245 /nfs/dbraw/zinc/94/82/45/558948245.db2.gz ORLOAWYSRJPZRY-OAHLLOKOSA-N 0 0 416.551 2.714 40 0 HFABRN CC(C)(C)c1nc2cc(NC(=O)COc3nsnc3N3CCOCC3)ccc2[nH]1 ZINC000019655173 558948674 /nfs/dbraw/zinc/94/86/74/558948674.db2.gz YBXLSLYPSHVUHJ-UHFFFAOYSA-N 0 0 416.507 2.566 40 0 HFABRN Cc1cccc(OC2CCN(C(=O)C[C@H]3NC(=O)N(c4ccccc4)C3=O)CC2)c1 ZINC000019660340 558951617 /nfs/dbraw/zinc/95/16/17/558951617.db2.gz FEKNYCRALHESAS-HXUWFJFHSA-N 0 0 407.470 2.880 40 0 HFABRN COc1ccc(N2C[C@H](NC(=O)C3(c4ccccc4F)CCOCC3)CC2=O)cc1 ZINC000019662258 558953270 /nfs/dbraw/zinc/95/32/70/558953270.db2.gz AJCWJJFZCPYBEC-MRXNPFEDSA-N 0 0 412.461 2.804 40 0 HFABRN COc1cccc(-c2ccc(NC(=O)CCn3cnc4c(cnn4C)c3=O)cc2)c1 ZINC000019662610 558953679 /nfs/dbraw/zinc/95/36/79/558953679.db2.gz JXRBZJQYMPJCJO-UHFFFAOYSA-N 0 0 403.442 2.834 40 0 HFABRN COc1ccc(C)cc1N1C[C@@H](C(=O)Nc2nc(-c3nonc3C)cs2)CC1=O ZINC000019664927 558955202 /nfs/dbraw/zinc/95/52/02/558955202.db2.gz IWYCAUYSFBXYMN-LBPRGKRZSA-N 0 0 413.459 2.810 40 0 HFABRN O=C(CN1CCOCC1)N1CCC[C@H](c2cncc(-c3cccc(Cl)c3)n2)C1 ZINC000072359668 558955368 /nfs/dbraw/zinc/95/53/68/558955368.db2.gz WQVHNMTVNVYXSD-KRWDZBQOSA-N 0 0 400.910 2.835 40 0 HFABRN Cc1cc(C)nc(Nc2cc(C)nc([C@@H]3CCCN(C(=O)c4cnccn4)C3)n2)n1 ZINC000072360019 558955590 /nfs/dbraw/zinc/95/55/90/558955590.db2.gz FPWRWIHKKMHDEY-MRXNPFEDSA-N 0 0 404.478 2.745 40 0 HFABRN Cc1nnc2ccc(NCC(=O)N3CCC(COc4ccc(Cl)cc4)CC3)nn12 ZINC000019665495 558955660 /nfs/dbraw/zinc/95/56/60/558955660.db2.gz FPACNDWJPUZRSB-UHFFFAOYSA-N 0 0 414.897 2.816 40 0 HFABRN CCn1cc(S(=O)(=O)N2CCC[C@H](c3cc4cc(C)cc(C)c4c(=O)[nH]3)C2)cn1 ZINC000072360994 558955772 /nfs/dbraw/zinc/95/57/72/558955772.db2.gz RCWYHDIHADOIBI-INIZCTEOSA-N 0 0 414.531 2.930 40 0 HFABRN COc1cccc(-c2cnc(N(C)C)nc2[C@H]2CCCN2C(=O)Cc2nonc2C)c1 ZINC000019689445 558959033 /nfs/dbraw/zinc/95/90/33/558959033.db2.gz MPIOXUYMHVNQIU-LJQANCHMSA-N 0 0 422.489 2.816 40 0 HFABRN CNC(=O)c1ccc(-c2ccc([C@H]3CCCN3CC(=O)N3CCCCC3)nc2)cn1 ZINC000019691812 558961194 /nfs/dbraw/zinc/96/11/94/558961194.db2.gz TUWNARWPXUNQNY-OAQYLSRUSA-N 0 0 407.518 2.653 40 0 HFABRN Cc1cccc(C(=O)[C@](Br)(I)S(C)(=O)=O)c1 ZINC000096518531 558963264 /nfs/dbraw/zinc/96/32/64/558963264.db2.gz LJWVAYNHYYXHNE-JTQLQIEISA-N 0 0 417.062 2.706 40 0 HFABRN CC(C)N1C[C@H](c2cc(N(C)C)nc(CN(C)C(=O)CC3CCCC3)n2)CC1=O ZINC000019697406 558965108 /nfs/dbraw/zinc/96/51/08/558965108.db2.gz DDJWQJFOORTWSM-QGZVFWFLSA-N 0 0 401.555 2.806 40 0 HFABRN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2cncc(Nc3cnccn3)n2)cc1F ZINC000072376331 558965368 /nfs/dbraw/zinc/96/53/68/558965368.db2.gz KEJCYBUUHPUBJN-QGZVFWFLSA-N 0 0 414.466 2.984 40 0 HFABRN COc1cccc(CN2CC=CC[C@@H](C3CCN(C(=O)c4nonc4C)CC3)C2=O)c1 ZINC000019698498 558965915 /nfs/dbraw/zinc/96/59/15/558965915.db2.gz SMTQXFJYVZDLAU-FQEVSTJZSA-N 0 0 424.501 2.844 40 0 HFABRN O=C1[C@@H](C2CCN(S(=O)(=O)c3cn[nH]c3)CC2)CCCCN1Cc1ccccc1 ZINC000019703366 558967499 /nfs/dbraw/zinc/96/74/99/558967499.db2.gz MBFFCWPEAHYIGY-HXUWFJFHSA-N 0 0 416.547 2.639 40 0 HFABRN Cc1nc(CN(C)C(=O)c2cccnc2)nc2c1CCC(=O)N2CCc1ccccc1 ZINC000072380136 558968306 /nfs/dbraw/zinc/96/83/06/558968306.db2.gz KZUHLRFMUBYDHK-UHFFFAOYSA-N 0 0 415.497 2.974 40 0 HFABRN O=C(c1ccc2nsnc2c1)N1CCC[C@@H]1c1ccc(C(=O)N2CCOCC2)cn1 ZINC000019708160 558970133 /nfs/dbraw/zinc/97/01/33/558970133.db2.gz WGCPOOLELBAELR-LJQANCHMSA-N 0 0 423.498 2.536 40 0 HFABRN CNc1cc(CN(C)C(C)=O)nc([C@@H]2CCCCN2C(=O)COc2ccccc2)n1 ZINC000019709833 558971747 /nfs/dbraw/zinc/97/17/47/558971747.db2.gz JGPXBHSDUIBRPB-IBGZPJMESA-N 0 0 411.506 2.629 40 0 HFABRN Cc1ccc2occ(CN3CCC(c4nnsc4S(C)(=O)=O)CC3)c(=O)c2c1 ZINC000072392480 558972154 /nfs/dbraw/zinc/97/21/54/558972154.db2.gz FBRRRAUBBCQDPJ-UHFFFAOYSA-N 0 0 419.528 2.736 40 0 HFABRN O=C(c1ccc2c(c1)OCO2)N1CCC([C@@H]2C[C@H](C(F)F)n3ncnc3N2)CC1 ZINC000072395632 558974578 /nfs/dbraw/zinc/97/45/78/558974578.db2.gz YWARTGBLEWNFON-UONOGXRCSA-N 0 0 405.405 2.550 40 0 HFABRN CC1(C)C[C@H](NC(=O)CCN2C(=O)c3ccccc3S2(=O)=O)c2ccccc2O1 ZINC000019716071 558977488 /nfs/dbraw/zinc/97/74/88/558977488.db2.gz ZGMRUJHSERBIRM-INIZCTEOSA-N 0 0 414.483 2.640 40 0 HFABRN COc1nn(Cc2cc(=O)[nH]c(NC[C@@H](C)c3ccccc3)n2)c(=O)c2ccccc21 ZINC000019717568 558980337 /nfs/dbraw/zinc/98/03/37/558980337.db2.gz KTRBNMIWNIXUKG-OAHLLOKOSA-N 0 0 417.469 2.752 40 0 HFABRN CCSc1nn2cc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)nc2s1 ZINC000078547078 559012994 /nfs/dbraw/zinc/01/29/94/559012994.db2.gz STURSXZLPSQZHN-UHFFFAOYSA-N 0 0 410.546 2.591 40 0 HFABRN CC(=O)O[C@@H]1C[C@@H]2[C@@H]3CC[C@](O)(C(C)=O)[C@]3(C)CC[C@H]2[C@@]2(C)CCC(=O)C[C@]12O ZINC000257350438 559015205 /nfs/dbraw/zinc/01/52/05/559015205.db2.gz XLQVFAZYXXORBX-PSYBGMFNSA-N 0 0 406.519 2.575 40 0 HFABRN C[C@@H]1c2nc(C(=O)NCc3ccco3)cn2CCN1C(=O)c1ccc2c(c1)COC2 ZINC000585096263 559023485 /nfs/dbraw/zinc/02/34/85/559023485.db2.gz DLHSZENYGJYCHZ-CQSZACIVSA-N 0 0 406.442 2.653 40 0 HFABRN COc1cc(OC)nc(N2CCC[C@@]3(CCC(=O)N3Cc3cncs3)CC2)n1 ZINC000585100172 559023831 /nfs/dbraw/zinc/02/38/31/559023831.db2.gz GZBWHLKVIYPHOZ-LJQANCHMSA-N 0 0 403.508 2.502 40 0 HFABRN Cc1cccc(C(=O)N2CCn3cc(CC(=O)NCc4cccnc4)nc3[C@@H]2C)c1 ZINC000585098773 559024446 /nfs/dbraw/zinc/02/44/46/559024446.db2.gz ZWYQKIFWAXIKDI-KRWDZBQOSA-N 0 0 403.486 2.662 40 0 HFABRN COC(=O)[C@H]1CCCN1C[C@H]1CC2(CO1)CCN(C(=O)c1cccc(C)c1)CC2 ZINC000585103163 559026537 /nfs/dbraw/zinc/02/65/37/559026537.db2.gz DZEKBMPSTNKACA-WOJBJXKFSA-N 0 0 400.519 2.644 40 0 HFABRN CC(C)NC(=O)CN1c2cccnc2-n2cccc2[C@]12CCN(C(=O)C1CCCC1)C2 ZINC000585106904 559029217 /nfs/dbraw/zinc/02/92/17/559029217.db2.gz KYDHEWKCFBDXPS-XMMPIXPASA-N 0 0 421.545 2.835 40 0 HFABRN Cc1ccc(N2CC[C@@H]3[C@@H](CO[C@H]3CC(=O)NCc3cc(F)cc(F)c3)C2)nn1 ZINC000585109358 559030480 /nfs/dbraw/zinc/03/04/80/559030480.db2.gz LTFXEILXYHQCFW-LZQZEXGQSA-N 0 0 402.445 2.611 40 0 HFABRN COCCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@@H](C(=O)c1ccccc1)N1c3ccccc3C=C[C@@H]21 ZINC000097513867 559052702 /nfs/dbraw/zinc/05/27/02/559052702.db2.gz HZUAFMAHJJKZTE-KJJMTIBFSA-N 0 0 416.477 2.791 40 0 HFABRN COCCCN1C(=O)[C@H]2[C@H]3C=Cc4ccccc4N3[C@H](C(=O)c3ccccc3)[C@@H]2C1=O ZINC000097513869 559052719 /nfs/dbraw/zinc/05/27/19/559052719.db2.gz HZUAFMAHJJKZTE-MBDNFAEBSA-N 0 0 416.477 2.791 40 0 HFABRN COC(=O)c1ccc(N2CCOCC2)c(NC(=S)NC(=O)c2cccc(F)c2)c1 ZINC000040717698 559064346 /nfs/dbraw/zinc/06/43/46/559064346.db2.gz MTYPSZQJLMNWMJ-UHFFFAOYSA-N 0 0 417.462 2.576 40 0 HFABRN COCCN(CCOC)C(=O)c1ccnn1-c1ccc2ccc(-c3cccnc3)cn21 ZINC000096038005 559091761 /nfs/dbraw/zinc/09/17/61/559091761.db2.gz FBUQFBMYTSNMOS-UHFFFAOYSA-N 0 0 419.485 2.922 40 0 HFABRN O=C(Cc1cccnc1)N1CCC2(CCN(C(=O)c3ccc4c(c3)OCO4)C2)CC1 ZINC000096046682 559092109 /nfs/dbraw/zinc/09/21/09/559092109.db2.gz QQQCTMKSNMQLKK-UHFFFAOYSA-N 0 0 407.470 2.508 40 0 HFABRN CN(C)C(=O)C[C@@H]1CC2(CCN(C(=O)C3CCOCC3)CC2)Oc2ccccc21 ZINC000096053201 559093065 /nfs/dbraw/zinc/09/30/65/559093065.db2.gz ZSYKACIGKIKTSR-GOSISDBHSA-N 0 0 400.519 2.819 40 0 HFABRN O=C(C1CC1)N1CC[C@]2(C1)c1ccccc1S(=O)(=O)N2Cc1ccc(F)cc1 ZINC000096143162 559095718 /nfs/dbraw/zinc/09/57/18/559095718.db2.gz JAGQSCSOICYCFK-NRFANRHFSA-N 0 0 400.475 2.868 40 0 HFABRN Cc1ccc(CNC(=O)[C@H]2c3c(ncn3C(C)C)CCN2C(=O)c2cccnc2)o1 ZINC000096147269 559098374 /nfs/dbraw/zinc/09/83/74/559098374.db2.gz JDYOFQMXDVFJGO-HXUWFJFHSA-N 0 0 407.474 2.816 40 0 HFABRN CC(C)CN(C)C(=O)c1ncn2c1CN(CC1CC1)S(=O)(=O)c1ccccc1-2 ZINC000096147432 559098513 /nfs/dbraw/zinc/09/85/13/559098513.db2.gz SWKWMSJCYKJYJX-UHFFFAOYSA-N 0 0 402.520 2.515 40 0 HFABRN CC1CCN(C(=O)c2ncn3c2CN(CC2CC2)S(=O)(=O)c2ccccc2-3)CC1 ZINC000096147439 559098514 /nfs/dbraw/zinc/09/85/14/559098514.db2.gz TXKRTHQOGYJHBF-UHFFFAOYSA-N 0 0 414.531 2.659 40 0 HFABRN O=C(Nc1ccccc1)C1=NO[C@@]2(C1)CCCN(S(=O)(=O)c1ccc(F)cc1)C2 ZINC000096225184 559102327 /nfs/dbraw/zinc/10/23/27/559102327.db2.gz GQCAAZLXPILPJL-HXUWFJFHSA-N 0 0 417.462 2.764 40 0 HFABRN O=C(NCc1ccncc1)C1=NO[C@@]2(C1)CCCN(C(=O)c1cccc(Cl)c1)C2 ZINC000096225281 559102332 /nfs/dbraw/zinc/10/23/32/559102332.db2.gz YSOYSGQSCDGLGG-OAQYLSRUSA-N 0 0 412.877 2.803 40 0 HFABRN Cc1ccc(S(=O)(=O)N2CC[C@@]3(C[C@@H]3C(=O)NCc3cccs3)C2)cc1F ZINC000096227685 559102667 /nfs/dbraw/zinc/10/26/67/559102667.db2.gz OGKBMAUGADFHIW-VQIMIIECSA-N 0 0 408.520 2.913 40 0 HFABRN Cc1ccc(N2CCN(CC(C)C)C3(CCN(C(=O)NC(C)C)CC3)C2=O)cn1 ZINC000096230378 559103013 /nfs/dbraw/zinc/10/30/13/559103013.db2.gz GHFOVEGFGYYRCP-UHFFFAOYSA-N 0 0 401.555 2.647 40 0 HFABRN CCCCS(=O)(=O)N1CCC2(CC1)C[C@@H](CC(=O)N(C)C)c1ccccc1O2 ZINC000096242950 559104327 /nfs/dbraw/zinc/10/43/27/559104327.db2.gz AEIOEAGVVIOANQ-QGZVFWFLSA-N 0 0 408.564 2.996 40 0 HFABRN Cc1ccc(NC(=O)N2CCC[C@]3(C(=O)N(C)C)CN(c4ncccn4)C[C@@H]3C2)cc1 ZINC000096251216 559105276 /nfs/dbraw/zinc/10/52/76/559105276.db2.gz WTVIVKBDAZDLBP-MBSDFSHPSA-N 0 0 422.533 2.624 40 0 HFABRN CCC1=NC2(CCC(C(=O)N3CCN(c4ccccn4)CC3)CC2)C(=O)N1CC1CC1 ZINC000096261383 559106175 /nfs/dbraw/zinc/10/61/75/559106175.db2.gz ZMAHISXTIYNVPT-UHFFFAOYSA-N 0 0 423.561 2.720 40 0 HFABRN CC(C)CCN1[C@H]2CCN(c3ncccn3)CC[C@@H]2Oc2ccccc2S1(=O)=O ZINC000096263935 559107340 /nfs/dbraw/zinc/10/73/40/559107340.db2.gz JTCUBXFSUUNLFM-ROUUACIJSA-N 0 0 416.547 2.943 40 0 HFABRN CCCCn1nc(C)c2c1nc(C)cc2C(=O)N1CCN(Cc2cnn(C)c2)CC1 ZINC000017088318 559122624 /nfs/dbraw/zinc/12/26/24/559122624.db2.gz FASZCZVXWITKSB-UHFFFAOYSA-N 0 0 409.538 2.540 40 0 HFABRN COc1cccc(-c2nc3c4c(ncn3n2)Oc2n[nH]c(C)c2[C@H]4c2cnn(C)c2)c1 ZINC000017089804 559122718 /nfs/dbraw/zinc/12/27/18/559122718.db2.gz SNVICJHYTSSCPR-MRXNPFEDSA-N 0 0 414.429 2.851 40 0 HFABRN O=C(c1ccc(=O)[nH]n1)N1CCC[C@@H](c2ccc(-c3noc(C(F)(F)F)n3)cn2)C1 ZINC000585290185 559122833 /nfs/dbraw/zinc/12/28/33/559122833.db2.gz NZSXFOCVFXLBHS-LLVKDONJSA-N 0 0 420.351 2.666 40 0 HFABRN O=C(c1ccnnc1)N1CCC[C@@H](c2ccnc(-c3noc(C(F)(F)F)n3)c2)C1 ZINC000585291028 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ZINC000014401240 560845167 /nfs/dbraw/zinc/84/51/67/560845167.db2.gz XNBDRDCXHYKRBG-UHFFFAOYSA-N 0 0 402.472 2.551 40 0 HFABRN Cc1ccccc1-c1cc(=O)[nH]c(N2CCN(Cc3ccc4c(c3)OCO4)CC2)n1 ZINC000014608504 560847439 /nfs/dbraw/zinc/84/74/39/560847439.db2.gz FWNDTWFFNVDEQR-UHFFFAOYSA-N 0 0 404.470 2.796 40 0 HFABRN O=C(Nc1c(F)cccc1F)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000015011195 560852007 /nfs/dbraw/zinc/85/20/07/560852007.db2.gz BOIMVFTVNVLFPW-UHFFFAOYSA-N 0 0 416.833 2.891 40 0 HFABRN COC(=O)c1ccc(-c2nc(N3CCOCC3)nc3c2C(=O)c2ccccc2-3)cc1 ZINC000017082165 560862021 /nfs/dbraw/zinc/86/20/21/560862021.db2.gz GZDKHZKEAXPFKC-UHFFFAOYSA-N 0 0 401.422 2.978 40 0 HFABRN NS(=O)(=O)c1ccc(CCNC(=S)Nc2ccc(C(F)(F)F)cc2)cc1 ZINC000017082646 560862158 /nfs/dbraw/zinc/86/21/58/560862158.db2.gz KUGPUJSWOUVIJN-UHFFFAOYSA-N 0 0 403.451 2.882 40 0 HFABRN Cc1ccc(-n2c3c(cc(C(=O)N4CCN(C)CC4)c2=O)C(=O)CC(C)(C)C3)cc1 ZINC000019213351 560872024 /nfs/dbraw/zinc/87/20/24/560872024.db2.gz NRPDKPYDZDOCFT-UHFFFAOYSA-N 0 0 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ZINC000219100589 568486834 /nfs/dbraw/zinc/48/68/34/568486834.db2.gz SHZVYKGBTUWXGJ-HXUWFJFHSA-N 0 0 403.548 2.792 40 0 HFABRN COc1ccc([C@H]2NC(=S)N[C@@](O)(C(F)(F)F)C2=C(O)c2ccccc2)cc1 ZINC000007986593 568487924 /nfs/dbraw/zinc/48/79/24/568487924.db2.gz HJJKDLIBRIGVBH-RKVPGOIHSA-N 0 0 410.417 2.964 40 0 HFABRN COc1cccc(-c2noc(CNC(=O)c3ccc(CN4CCCC4=O)cc3)n2)c1 ZINC000219233229 568488064 /nfs/dbraw/zinc/48/80/64/568488064.db2.gz NXUUCEXYCZJULG-UHFFFAOYSA-N 0 0 406.442 2.798 40 0 HFABRN COc1ccc(S(=O)(=O)NCCCN(C)c2ccccc2)cc1N1CCCC1=O ZINC000219230637 568488184 /nfs/dbraw/zinc/48/81/84/568488184.db2.gz XLYGQZIIEHOFDP-UHFFFAOYSA-N 0 0 417.531 2.627 40 0 HFABRN CN(CCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1)c1ccccc1 ZINC000219260972 568488630 /nfs/dbraw/zinc/48/86/30/568488630.db2.gz ZABZVLKNLMTSTN-KRWDZBQOSA-N 0 0 421.588 2.792 40 0 HFABRN Cc1ccc(-c2noc(CNC(=O)c3cc(NS(C)(=O)=O)ccc3Cl)n2)cc1 ZINC000219284834 568488880 /nfs/dbraw/zinc/48/88/80/568488880.db2.gz OPIWPAKJFMZLFM-UHFFFAOYSA-N 0 0 420.878 3.000 40 0 HFABRN Cc1cccc(-c2noc(CNC(=O)c3ccc(NS(C)(=O)=O)cc3Cl)n2)c1 ZINC000219287174 568489002 /nfs/dbraw/zinc/48/90/02/568489002.db2.gz RYAYCKCALBMHMF-UHFFFAOYSA-N 0 0 420.878 3.000 40 0 HFABRN CC[C@H](Oc1ccccc1F)C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000219572062 568495513 /nfs/dbraw/zinc/49/55/13/568495513.db2.gz KUGCILHDVJIXLK-SFHVURJKSA-N 0 0 406.479 2.823 40 0 HFABRN CC[C@@H](Oc1ccccc1F)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000219571812 568495531 /nfs/dbraw/zinc/49/55/31/568495531.db2.gz TWBDJCISCUSVTC-GOSISDBHSA-N 0 0 406.479 2.516 40 0 HFABRN Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccccc3OC(C)C)CC2)cc1 ZINC000219739893 568497900 /nfs/dbraw/zinc/49/79/00/568497900.db2.gz QMSGHCGNSVZQGV-UHFFFAOYSA-N 0 0 402.516 2.929 40 0 HFABRN COc1ccc(OC[C@@H](C)NC(=O)[C@@H](C)N(c2cccc(C)c2)S(C)(=O)=O)cc1 ZINC000220141099 568502623 /nfs/dbraw/zinc/50/26/23/568502623.db2.gz QEALDJCHUWHPMU-IAGOWNOFSA-N 0 0 420.531 2.742 40 0 HFABRN COc1ccc(CCCNC(=O)[C@@H](C)N(c2cccc(C)c2)S(C)(=O)=O)cc1 ZINC000220140943 568502631 /nfs/dbraw/zinc/50/26/31/568502631.db2.gz IGFCKSXXTVZPAD-QGZVFWFLSA-N 0 0 404.532 2.907 40 0 HFABRN COc1ccc(OC)c(N([C@@H](C)C(=O)N[C@H](C)c2ccccc2)S(C)(=O)=O)c1 ZINC000220211245 568503434 /nfs/dbraw/zinc/50/34/34/568503434.db2.gz HCILAORKLQTVEM-CABCVRRESA-N 0 0 406.504 2.736 40 0 HFABRN COc1ccc(OC)c(N([C@H](C)C(=O)Nc2ccccc2OC)S(C)(=O)=O)c1 ZINC000220208989 568503474 /nfs/dbraw/zinc/50/34/74/568503474.db2.gz KJUVHBPDCPRLRE-CYBMUJFWSA-N 0 0 408.476 2.506 40 0 HFABRN COc1ccc(N([C@@H](C)C(=O)N[C@@H](C)c2ccccc2)S(C)(=O)=O)cc1OC ZINC000220224259 568503560 /nfs/dbraw/zinc/50/35/60/568503560.db2.gz VAKPIRFWXFMECL-GJZGRUSLSA-N 0 0 406.504 2.736 40 0 HFABRN CCOc1ccccc1NC(=O)[C@H](C)N(c1ccc(OC)c(OC)c1)S(C)(=O)=O ZINC000220226915 568503695 /nfs/dbraw/zinc/50/36/95/568503695.db2.gz HVSYVUXKTBQSJB-AWEZNQCLSA-N 0 0 422.503 2.896 40 0 HFABRN COc1ccc(N([C@H](C)C(=O)N2CCCc3ccccc32)S(C)(=O)=O)cc1OC ZINC000220238198 568503799 /nfs/dbraw/zinc/50/37/99/568503799.db2.gz 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BALCOVUOTAPATO-UHFFFAOYSA-N 0 0 411.506 2.592 40 0 HFABRN CN(C(=O)c1ccccc1OCCN1CCOCC1)[C@H]1CCCN(c2ccccn2)C1 ZINC000257212223 568779625 /nfs/dbraw/zinc/77/96/25/568779625.db2.gz CCKICDWIFPHYDA-FQEVSTJZSA-N 0 0 424.545 2.534 40 0 HFABRN Cc1ccc(=O)n(CC(=O)N2CCC[C@H](c3ncc(Cc4ccc(F)cc4)o3)C2)n1 ZINC000257212959 568779736 /nfs/dbraw/zinc/77/97/36/568779736.db2.gz CFPPWDNCZMEQPM-KRWDZBQOSA-N 0 0 410.449 2.676 40 0 HFABRN CN1C(=O)C2(CCN(C(=O)Cc3ccc(F)cc3)CC2)C[C@@H](O)[C@@H]1c1ccccc1 ZINC000257218642 568781437 /nfs/dbraw/zinc/78/14/37/568781437.db2.gz DDYHVNHSWJXEFJ-IRLDBZIGSA-N 0 0 410.489 2.941 40 0 HFABRN COc1ccc(CN2CCO[C@@](COc3cccc(Cl)c3)(CC(N)=O)C2)cc1O ZINC000257222754 568782821 /nfs/dbraw/zinc/78/28/21/568782821.db2.gz DUOZTVHMHNHWGH-NRFANRHFSA-N 0 0 420.893 2.580 40 0 HFABRN COc1ccc(Nn2c(N)nn(CC(=O)c3ccc(OC)c(OC)c3)c2=S)cc1 ZINC000028535191 568787392 /nfs/dbraw/zinc/78/73/92/568787392.db2.gz MWYPBNJUJXCSNU-UHFFFAOYSA-N 0 0 415.475 2.780 40 0 HFABRN COCCC(=O)N1CC[C@H](c2nc(C)c(CC(=O)Nc3ccc(F)cc3)c(C)n2)C1 ZINC000257241343 568787957 /nfs/dbraw/zinc/78/79/57/568787957.db2.gz HXSGFFMRIDAFNC-INIZCTEOSA-N 0 0 414.481 2.766 40 0 HFABRN COc1ccccc1C(=O)N1CC[C@H](c2nc(C)c(CC(=O)N3CCCC3)c(C)n2)C1 ZINC000257248268 568789697 /nfs/dbraw/zinc/78/96/97/568789697.db2.gz JCWSBBHMXQNPGC-SFHVURJKSA-N 0 0 422.529 2.897 40 0 HFABRN Cc1nn(C)cc1CN1CCO[C@@H](c2cc(CCOc3ccccc3F)n(C)n2)C1 ZINC000257250017 568790315 /nfs/dbraw/zinc/79/03/15/568790315.db2.gz JKRFBEOBSKKKLW-JOCHJYFZSA-N 0 0 413.497 2.796 40 0 HFABRN NC(=O)C[C@@]1(COc2ccccc2)CCCN(S(=O)(=O)c2cc(F)cc(F)c2)C1 ZINC000257254753 568791440 /nfs/dbraw/zinc/79/14/40/568791440.db2.gz KENCDDIIPMJICL-FQEVSTJZSA-N 0 0 424.469 2.690 40 0 HFABRN COc1ccccc1Cc1cnc([C@H]2CCCCN2C(=O)Cn2nc(C)ccc2=O)o1 ZINC000257254557 568791539 /nfs/dbraw/zinc/79/15/39/568791539.db2.gz KDPSMBYHKGRMOL-LJQANCHMSA-N 0 0 422.485 2.893 40 0 HFABRN CN(C)c1ncc(-c2ccc(F)cc2)c([C@@H]2CCCN(C(=O)Cn3cccn3)C2)n1 ZINC000257256688 568792141 /nfs/dbraw/zinc/79/21/41/568792141.db2.gz KMLZYFJPVHYVKF-QGZVFWFLSA-N 0 0 408.481 2.951 40 0 HFABRN Cc1ccc(=O)n(CC(=O)N2CCC[C@@H](c3ncc(Cc4cccc(F)c4)o3)C2)n1 ZINC000257262447 568793507 /nfs/dbraw/zinc/79/35/07/568793507.db2.gz LLKSNEBYZWSTGD-QGZVFWFLSA-N 0 0 410.449 2.676 40 0 HFABRN CN(CCO)C(=O)c1sc2ncccc2c1[C@H]1CCN(C(=O)C2CCCC2)C1 ZINC000257262058 568793517 /nfs/dbraw/zinc/79/35/17/568793517.db2.gz LJVWENNWMBQJSW-HNNXBMFYSA-N 0 0 401.532 2.867 40 0 HFABRN CN(CCO)C(=O)c1sc2ncccc2c1[C@@H]1CCN(C(=O)C2CCCC2)C1 ZINC000257262059 568793526 /nfs/dbraw/zinc/79/35/26/568793526.db2.gz LJVWENNWMBQJSW-OAHLLOKOSA-N 0 0 401.532 2.867 40 0 HFABRN CC(=O)N1CCC[C@@H]2N(C(=O)c3ccccc3OCc3nonc3C)CCC[C@@]21C ZINC000257266015 568794376 /nfs/dbraw/zinc/79/43/76/568794376.db2.gz MBGBSIJSTPGAHK-UNMCSNQZSA-N 0 0 412.490 2.963 40 0 HFABRN Cc1nc([C@@H]2CCCN(C(=O)COc3ccccc3)C2)nc(C)c1CC(=O)NC1CC1 ZINC000257283659 568799644 /nfs/dbraw/zinc/79/96/44/568799644.db2.gz OZGNVFYUNMPUMM-GOSISDBHSA-N 0 0 422.529 2.700 40 0 HFABRN CCNC(=O)Cc1c(C)nc([C@H]2CCCN(C(=O)c3cccc(OC)c3)C2)nc1C ZINC000257289715 568801462 /nfs/dbraw/zinc/80/14/62/568801462.db2.gz PZWJQWMTJBKRAD-SFHVURJKSA-N 0 0 410.518 2.800 40 0 HFABRN CCCCC[C@]1(O)CCN(C(=O)CCn2c(=O)oc3cc(Cl)ccc32)C[C@@H]1O ZINC000257290391 568801590 /nfs/dbraw/zinc/80/15/90/568801590.db2.gz QCUGQCGCENUREN-PXNSSMCTSA-N 0 0 410.898 2.543 40 0 HFABRN O=C(CN1CCO[C@H](c2ccc(Nc3ncccn3)cn2)C1)Nc1ccccc1F ZINC000257291484 568802019 /nfs/dbraw/zinc/80/20/19/568802019.db2.gz QHDDHDKNXCNXOB-IBGZPJMESA-N 0 0 408.437 2.766 40 0 HFABRN Cc1cc(Nc2cccc([C@H]3CN(C(=O)Cc4c(C)noc4C)CCO3)n2)nn1C ZINC000257295710 568803133 /nfs/dbraw/zinc/80/31/33/568803133.db2.gz QZOKIXBWEDCHSC-GOSISDBHSA-N 0 0 410.478 2.615 40 0 HFABRN COc1cccc(-c2cncc([C@@H]3CN(Cc4cnc(N(C)C)nc4)CCO3)n2)c1 ZINC000257297787 568803667 /nfs/dbraw/zinc/80/36/67/568803667.db2.gz RIUKZHWDUSHOKF-NRFANRHFSA-N 0 0 406.490 2.582 40 0 HFABRN CCn1cc(C(=O)N2CC[C@H](Oc3cccc(Cl)c3)[C@@H](CC(N)=O)C2)c(C)n1 ZINC000257303684 568805444 /nfs/dbraw/zinc/80/54/44/568805444.db2.gz SIGSFUSQLOMBBB-KSSFIOAISA-N 0 0 404.898 2.650 40 0 HFABRN CC(C)c1cc(C(=O)N2CCC3(CC2)C[C@@H](O)[C@H](c2ccccc2)N(C)C3=O)on1 ZINC000257304870 568805915 /nfs/dbraw/zinc/80/59/15/568805915.db2.gz SNLPZROSQNMMNC-QUCCMNQESA-N 0 0 411.502 2.985 40 0 HFABRN COC(=O)Cn1cc(Nc2cccc([C@@H]3CN(C(=O)OC(C)(C)C)CCO3)n2)cn1 ZINC000257306276 568806256 /nfs/dbraw/zinc/80/62/56/568806256.db2.gz STPLNMXLEMXAFD-INIZCTEOSA-N 0 0 417.466 2.503 40 0 HFABRN CNC(=O)[C@@]1(c2ccccn2)CCCN1C(=O)C1(Cc2ccccc2)CCOCC1 ZINC000257306421 568806425 /nfs/dbraw/zinc/80/64/25/568806425.db2.gz SUFHWCMPZRRRRQ-DEOSSOPVSA-N 0 0 407.514 2.685 40 0 HFABRN CCCNC(=O)Cc1c(C)nc([C@H]2CCN(C(=O)c3cccc(OC)c3)C2)nc1C ZINC000257307399 568806691 /nfs/dbraw/zinc/80/66/91/568806691.db2.gz SYMKAPPCUAEHOP-SFHVURJKSA-N 0 0 410.518 2.800 40 0 HFABRN CNC(=O)[C@]1(c2ccccn2)CCCN(C(=O)c2ccccc2Cn2ccnc2C)C1 ZINC000257314481 568808569 /nfs/dbraw/zinc/80/85/69/568808569.db2.gz UXELCQRKOGHREM-XMMPIXPASA-N 0 0 417.513 2.555 40 0 HFABRN Cc1cc(C)n(CC(=O)N2CCC[C@H](c3ncc(Cc4ccc(F)cc4)o3)C2)c(=O)n1 ZINC000257318763 568810117 /nfs/dbraw/zinc/81/01/17/568810117.db2.gz VPFYEZMNWMWPGT-SFHVURJKSA-N 0 0 424.476 2.984 40 0 HFABRN Cc1cccc(S(=O)(=O)N2CCC(COc3ccc(F)cc3)(CC(N)=O)CC2)c1 ZINC000257324401 568811558 /nfs/dbraw/zinc/81/15/58/568811558.db2.gz WONLJLFCTCAAPA-UHFFFAOYSA-N 0 0 420.506 2.859 40 0 HFABRN COc1ccc([C@H]2CN(C(=O)c3cccc(Cn4ccnc4)c3)CCN2C(C)=O)cc1 ZINC000257330472 568813183 /nfs/dbraw/zinc/81/31/83/568813183.db2.gz XOOWFVXSGALSET-HSZRJFAPSA-N 0 0 418.497 2.986 40 0 HFABRN CN(C[C@]1(O)CCCN(c2ccnc3cccnc32)C1)C(=O)c1ccc2[nH]cnc2c1 ZINC000257335695 568814818 /nfs/dbraw/zinc/81/48/18/568814818.db2.gz YLLRCZPEYMWDGG-HSZRJFAPSA-N 0 0 416.485 2.610 40 0 HFABRN COc1cccc(Cc2cccc([C@@H]3CN(C(=O)c4cnc(C)cn4)CCO3)n2)c1 ZINC000257336358 568815048 /nfs/dbraw/zinc/81/50/48/568815048.db2.gz YOBKLAREFUBIKL-QFIPXVFZSA-N 0 0 404.470 2.993 40 0 HFABRN CNC(=O)c1sc2nc([C@H]3CCCCN3C(=O)C3CCOCC3)ccc2c1N ZINC000257341309 568816398 /nfs/dbraw/zinc/81/63/98/568816398.db2.gz ZJTXXPXICJNAJX-OAHLLOKOSA-N 0 0 402.520 2.718 40 0 HFABRN CCOC[C@@]1(C(N)=S)[C@@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)CC ZINC000218210448 568836372 /nfs/dbraw/zinc/83/63/72/568836372.db2.gz RRMBRLROKVSAQD-KCQAQPDRSA-N 0 0 406.367 2.659 40 0 HFABRN CCOC(=O)[C@]1(N)[C@@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218215373 568836404 /nfs/dbraw/zinc/83/64/04/568836404.db2.gz NFBBBUZOJHMIOI-BQFCYCMXSA-N 0 0 424.316 2.649 40 0 HFABRN CCOC(=O)[C@]1(N)[C@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218215229 568836407 /nfs/dbraw/zinc/83/64/07/568836407.db2.gz NFBBBUZOJHMIOI-RYRKJORJSA-N 0 0 424.316 2.649 40 0 HFABRN [NH3+]C[C@]1(C(=O)[O-])[C@@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218646253 568886080 /nfs/dbraw/zinc/88/60/80/568886080.db2.gz VFWGYMVPDQXGEK-ZOBUZTSGSA-N 0 0 400.283 2.963 40 0 HFABRN CN(C)S(=O)(=O)N1CCC2(CC1)Oc1ccccc1-c1ncn(CC3CCC3)c12 ZINC000306127368 568890301 /nfs/dbraw/zinc/89/03/01/568890301.db2.gz FWVCIQRXDMVHJF-UHFFFAOYSA-N 0 0 416.547 2.840 40 0 HFABRN Cc1ccc(-c2ccc3c([C@H]4CN(C(=O)c5ccn(C)n5)CCN4C)nnn3c2)cc1 ZINC000306128064 568891047 /nfs/dbraw/zinc/89/10/47/568891047.db2.gz GPBMAXZNWGENQX-OAQYLSRUSA-N 0 0 415.501 2.567 40 0 HFABRN COc1ccc(-c2ccc3c([C@@H]4CN(Cc5ccccn5)CCN4C)nnn3c2)cn1 ZINC000306129293 568891918 /nfs/dbraw/zinc/89/19/18/568891918.db2.gz HZWRHQZGRQJXLB-NRFANRHFSA-N 0 0 415.501 2.684 40 0 HFABRN Cc1ccc(C(=O)N2CCC[C@H](c3nc4ccc(N5CCOCC5)cn4n3)C2)s1 ZINC000306131605 568894018 /nfs/dbraw/zinc/89/40/18/568894018.db2.gz KJUZONVUDSHNAP-INIZCTEOSA-N 0 0 411.531 2.956 40 0 HFABRN COc1ccc(-c2nnc3n(c2=O)CC[C@]32CCN(C(=O)c3cccs3)C2)cc1 ZINC000306134488 568896441 /nfs/dbraw/zinc/89/64/41/568896441.db2.gz NPELELQGFAJCHB-NRFANRHFSA-N 0 0 408.483 2.563 40 0 HFABRN COc1ccc(-c2nnc3n2C2(CCN(C(=O)c4ccc(C)o4)CC2)CN(C)C3)cc1 ZINC000306136642 568898466 /nfs/dbraw/zinc/89/84/66/568898466.db2.gz PZCPSYADFJEARF-UHFFFAOYSA-N 0 0 421.501 2.932 40 0 HFABRN Cc1cnc(C(=O)N2CCN(C)[C@H](c3ncn4cc(-c5cccnc5)ccc34)C2)cn1 ZINC000306137452 568899303 /nfs/dbraw/zinc/89/93/03/568899303.db2.gz QWPTUORZBPXXKQ-NRFANRHFSA-N 0 0 413.485 2.624 40 0 HFABRN Cc1ccccc1CC(=O)N1CCC(n2cnc3ncc(-c4cnn(C)c4)nc32)CC1 ZINC000306138256 568900213 /nfs/dbraw/zinc/90/02/13/568900213.db2.gz RTNQXNVWEXZXHQ-UHFFFAOYSA-N 0 0 415.501 2.941 40 0 HFABRN Cc1ncsc1CN1C[C@H]2[C@H](C1)c1cc(-c3cnn(C)c3)ccc1S2(=O)=O ZINC000306139222 568901108 /nfs/dbraw/zinc/90/11/08/568901108.db2.gz SSMCGJBMVBQWGP-APWZRJJASA-N 0 0 400.529 2.607 40 0 HFABRN O=C(c1ccco1)N1C[C@@H](c2cccnc2)[C@@]2(C1)OCCN(Cc1ccccc1)C2=O ZINC000306139562 568901460 /nfs/dbraw/zinc/90/14/60/568901460.db2.gz TUHVIKRACHPYTO-GBXCKJPGSA-N 0 0 417.465 2.712 40 0 HFABRN NC(=O)c1ccccc1NC(=O)c1cc2c(n(-c3ccccc3)c1=O)CCCC2=O ZINC000002732480 568931601 /nfs/dbraw/zinc/93/16/01/568931601.db2.gz KCRAXWAEWQPIGI-UHFFFAOYSA-N 0 0 401.422 2.708 40 0 HFABRN Cc1cc(C(F)(F)F)nn1Cc1nc2c3c(C)c(C(=O)N(C)C)sc3ncn2n1 ZINC000002791889 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/nfs/dbraw/zinc/48/92/49/557489249.db2.gz YREGBPBATNHRMV-UHFFFAOYSA-N 0 0 403.504 2.903 40 0 HFABRN COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)N[C@@H]2C[C@H]3CC[C@]2(C)C3(C)C)c1 ZINC000035277972 557498081 /nfs/dbraw/zinc/49/80/81/557498081.db2.gz OCLCLHCZYGAONE-KKVAFCGZSA-N 0 0 409.504 2.753 40 0 HFABRN COC(=O)c1ccc(NS(=O)(=O)c2ccc(O[C@@H](C)C(=O)NC(C)C)cc2)cc1 ZINC000408590089 557499580 /nfs/dbraw/zinc/49/95/80/557499580.db2.gz JAYOKBKJFUNVOJ-AWEZNQCLSA-N 0 0 420.487 2.566 40 0 HFABRN COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccco2)C1 ZINC000408590077 557499592 /nfs/dbraw/zinc/49/95/92/557499592.db2.gz IZRPYQHJOIEMFH-CYBMUJFWSA-N 0 0 412.895 2.659 40 0 HFABRN CC(C)NC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1 ZINC000408605030 557528421 /nfs/dbraw/zinc/52/84/21/557528421.db2.gz MKWLJTDIZTUFQL-MRXNPFEDSA-N 0 0 402.516 2.726 40 0 HFABRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CCOCC3)cc2)cc1Cl ZINC000408604968 557528438 /nfs/dbraw/zinc/52/84/38/557528438.db2.gz MGWFTOBUPIWPJP-UHFFFAOYSA-N 0 0 424.906 2.687 40 0 HFABRN COc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)C(=O)Nc1cccc(C(C)=O)c1 ZINC000408612824 557530932 /nfs/dbraw/zinc/53/09/32/557530932.db2.gz YVRRZMQYFKEALT-LLVKDONJSA-N 0 0 410.879 2.857 40 0 HFABRN COC[C@@H](C)NC(=O)CN(Cc1cccc(C)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000408619308 557536522 /nfs/dbraw/zinc/53/65/22/557536522.db2.gz HEINBNWSUIGIAX-GOSISDBHSA-N 0 0 404.532 2.645 40 0 HFABRN CCOC(=O)[C@H]1C(=O)C[C@@](C)(O)[C@H](C(=O)OCC)[C@H]1c1ccc(N(CC)CC)cc1 ZINC000004311025 557539284 /nfs/dbraw/zinc/53/92/84/557539284.db2.gz PINLPLCLAXZGLQ-IHFIDZABSA-N 0 0 419.518 2.699 40 0 HFABRN COC[C@@H](C)NC(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1ccccc1 ZINC000408616649 557542802 /nfs/dbraw/zinc/54/28/02/557542802.db2.gz HJBRCNYRILDTKU-CQSZACIVSA-N 0 0 410.923 2.995 40 0 HFABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(N)=O)cc2)cc1C(=O)N1CCCCC1 ZINC000408616776 557543688 /nfs/dbraw/zinc/54/36/88/557543688.db2.gz AYSBKJKSHCSRGV-UHFFFAOYSA-N 0 0 401.488 2.521 40 0 HFABRN COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)C(=O)Nc1c(F)cccc1F ZINC000408619643 557555090 /nfs/dbraw/zinc/55/50/90/557555090.db2.gz IBIGUYYPILNBEA-VIFPVBQESA-N 0 0 404.822 2.932 40 0 HFABRN CCCOc1ccc([C@@H]2[C@@H](C(=O)OCC)[C@](C)(O)CC(=O)[C@H]2C(=O)OCC)cc1 ZINC000004476982 557557558 /nfs/dbraw/zinc/55/75/58/557557558.db2.gz SNBBMVIZPATJKD-LMVRJCEZSA-N 0 0 406.475 2.641 40 0 HFABRN COc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N3CCOCC3)c2)cc1Cl ZINC000408625817 557558147 /nfs/dbraw/zinc/55/81/47/557558147.db2.gz UGUFDHLWOCBRTI-UHFFFAOYSA-N 0 0 424.906 2.930 40 0 HFABRN COC[C@@H](C)NC(=O)CN(Cc1ccccc1C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000408626579 557559826 /nfs/dbraw/zinc/55/98/26/557559826.db2.gz ZRUPAZDVGAGRHO-MRXNPFEDSA-N 0 0 424.950 2.990 40 0 HFABRN COC[C@@H](C)NC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000408627702 557560998 /nfs/dbraw/zinc/56/09/98/557560998.db2.gz OXQBWAQOJTVGNX-GOSISDBHSA-N 0 0 404.532 2.958 40 0 HFABRN COC[C@@H](C)NC(=O)CN(c1cc(Cl)c(Cl)cc1Cl)S(C)(=O)=O ZINC000408629594 557571965 /nfs/dbraw/zinc/57/19/65/557571965.db2.gz DYPXRSVGBARABQ-MRVPVSSYSA-N 0 0 403.715 2.564 40 0 HFABRN Cn1c2nc3scc(CNc4ccc(Cl)c(Cl)c4)n3c2c(=O)n(C)c1=O ZINC000004625179 557574042 /nfs/dbraw/zinc/57/40/42/557574042.db2.gz OIUDOQHFTBAMSQ-UHFFFAOYSA-N 0 0 410.286 2.865 40 0 HFABRN O=C(Oc1cccc(N2C(=O)CCCC2=O)c1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000408638732 557606460 /nfs/dbraw/zinc/60/64/60/557606460.db2.gz DEXCPAXBLDNJSX-AWEZNQCLSA-N 0 0 410.401 2.828 40 0 HFABRN CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)S(=O)(=O)c1cc(C)ccc1C ZINC000005120157 557637390 /nfs/dbraw/zinc/63/73/90/557637390.db2.gz FCHODICTOOEDFO-UHFFFAOYSA-N 0 0 403.504 2.911 40 0 HFABRN CCOC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3cccc(C)c3)C2)cc1 ZINC000408661464 557642581 /nfs/dbraw/zinc/64/25/81/557642581.db2.gz VXFGVTBWULIYIO-QGZVFWFLSA-N 0 0 424.453 2.707 40 0 HFABRN COC(=O)c1ccc(NC(=O)COC(=O)c2cccc(NC(=O)C(F)(F)F)c2)cc1 ZINC000408662184 557642778 /nfs/dbraw/zinc/64/27/78/557642778.db2.gz NGGPCSUYLUCVNY-UHFFFAOYSA-N 0 0 424.331 2.770 40 0 HFABRN O=C(CCN1C(=O)c2ccccc2S1(=O)=O)N1CCC(Cc2ccccc2)CC1 ZINC000005272526 557642983 /nfs/dbraw/zinc/64/29/83/557642983.db2.gz CLFPLRCODNVLQX-UHFFFAOYSA-N 0 0 412.511 2.703 40 0 HFABRN CCOC(=O)c1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3cccc(C)c3)CC2=O)cc1 ZINC000408662694 557644426 /nfs/dbraw/zinc/64/44/26/557644426.db2.gz XLMNYVMIGJIJKQ-KRWDZBQOSA-N 0 0 424.453 2.707 40 0 HFABRN CCOc1ccccc1N1C[C@@H](C(=O)OCC(=O)Nc2ccc(C(C)=O)cc2)CC1=O ZINC000408662699 557644484 /nfs/dbraw/zinc/64/44/84/557644484.db2.gz PFWSVLSTNVPPHJ-KRWDZBQOSA-N 0 0 424.453 2.823 40 0 HFABRN COc1ccc(CNC(=O)CN(C(=O)c2csnn2)c2cccc(OC)c2)cc1 ZINC000035289225 557670649 /nfs/dbraw/zinc/67/06/49/557670649.db2.gz YUMSROHJSIGRKP-UHFFFAOYSA-N 0 0 412.471 2.519 40 0 HFABRN O=C(c1ccco1)N1CCC[C@@H](c2nc3c(nnn3Cc3ccccc3)c(=O)[nH]2)C1 ZINC000005769306 557673793 /nfs/dbraw/zinc/67/37/93/557673793.db2.gz SJXISQITCQSALZ-OAHLLOKOSA-N 0 0 404.430 2.588 40 0 HFABRN CCOC(=O)[C@]1(Br)[C@@H](c2ccccc2)NC(=O)N[C@@]1(C)Br ZINC000005811051 557675815 /nfs/dbraw/zinc/67/58/15/557675815.db2.gz WWJCFUTVXQGRTF-LERXQTSPSA-N 0 0 420.101 2.848 40 0 HFABRN CCOC(=O)[C@@]1(Br)[C@@H](c2ccccc2)NC(=O)N[C@@]1(C)Br ZINC000005811054 557675818 /nfs/dbraw/zinc/67/58/18/557675818.db2.gz WWJCFUTVXQGRTF-HONMWMINSA-N 0 0 420.101 2.848 40 0 HFABRN COc1ccc(NC(=O)CN2CCC(NC(=O)c3cccc(F)c3)CC2)c(OC)c1 ZINC000035313261 557689038 /nfs/dbraw/zinc/68/90/38/557689038.db2.gz LDLUZHFZEHVCGS-UHFFFAOYSA-N 0 0 415.465 2.676 40 0 HFABRN COc1cc([C@@H]2C(C(=O)OC(C)C)C(C)=Nc3ncnn32)cc(Br)c1O ZINC000006162693 557692416 /nfs/dbraw/zinc/69/24/16/557692416.db2.gz NKIYBJBBJHTCNN-CQSZACIVSA-N 0 0 423.267 2.995 40 0 HFABRN CCOc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1S(=O)(=O)N1CCCC1 ZINC000408699523 557712074 /nfs/dbraw/zinc/71/20/74/557712074.db2.gz XNWBQJPDFGFWDH-UHFFFAOYSA-N 0 0 418.471 2.851 40 0 HFABRN CSc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N3CCN(C)CC3)cc2)cc1 ZINC000408700372 557718005 /nfs/dbraw/zinc/71/80/05/557718005.db2.gz DUMYMRZWXDPKIQ-UHFFFAOYSA-N 0 0 419.572 2.621 40 0 HFABRN COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC[C@@H](C(=O)NC[C@@H]2CCCO2)C1 ZINC000408700685 557718711 /nfs/dbraw/zinc/71/87/11/557718711.db2.gz KHEOMHBDYHNWJB-MSOLQXFVSA-N 0 0 424.563 2.515 40 0 HFABRN CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(F)cc2)c2c(=O)n(C)c(=O)n(C)c2N1 ZINC000006759475 557719668 /nfs/dbraw/zinc/71/96/68/557719668.db2.gz DOJIMXVACONHAI-SFHVURJKSA-N 0 0 420.444 2.693 40 0 HFABRN Cc1ccc(OCC(=O)NC(=S)Nc2sc3c(c2C(N)=O)CCC3)c(C)c1 ZINC000006843936 557726426 /nfs/dbraw/zinc/72/64/26/557726426.db2.gz XCIDXNXSUHQPFA-UHFFFAOYSA-N 0 0 403.529 2.845 40 0 HFABRN Cc1ccc(NC(=O)[C@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)c(C)c1 ZINC000408703317 557728244 /nfs/dbraw/zinc/72/82/44/557728244.db2.gz FAPMDPNXLAAQMA-HNNXBMFYSA-N 0 0 404.488 2.868 40 0 HFABRN Cc1ccc(C)c(NC(=O)[C@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)c1 ZINC000408704593 557729871 /nfs/dbraw/zinc/72/98/71/557729871.db2.gz QEMVKVUOFOVXDS-HNNXBMFYSA-N 0 0 404.488 2.868 40 0 HFABRN CCc1ccc(NC(=O)[C@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1 ZINC000408704870 557730276 /nfs/dbraw/zinc/73/02/76/557730276.db2.gz UTGGADHJTYCUCI-AWEZNQCLSA-N 0 0 404.488 2.813 40 0 HFABRN CCS(=O)(=O)N(CC(=O)Nc1ccc(C)c(C)c1)c1ccc2c(c1)OCCO2 ZINC000408705568 557731624 /nfs/dbraw/zinc/73/16/24/557731624.db2.gz ITAYABYJZZVIEW-UHFFFAOYSA-N 0 0 404.488 2.869 40 0 HFABRN CC[C@@H](Oc1ccc(OC)cc1)C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000408706032 557732053 /nfs/dbraw/zinc/73/20/53/557732053.db2.gz TWVMWRKKXSJXRF-HXUWFJFHSA-N 0 0 412.486 2.926 40 0 HFABRN Cc1ccc(CNC(=O)c2ccccc2NC(=O)C(=O)NCCc2ccccn2)cc1 ZINC000408710350 557738015 /nfs/dbraw/zinc/73/80/15/557738015.db2.gz YTFMXLDKYORYLK-UHFFFAOYSA-N 0 0 416.481 2.617 40 0 HFABRN COc1ccc(S(=O)(=O)Nc2ccc(N3CCCC3=O)cc2)cc1NC(C)=O ZINC000007612604 557751668 /nfs/dbraw/zinc/75/16/68/557751668.db2.gz JDNDISQARJBEAB-UHFFFAOYSA-N 0 0 403.460 2.581 40 0 HFABRN Cc1ccc(-c2nnc(CN(C)C(=O)CCCN3C(=O)[C@@H]4CCCC[C@@H]4C3=O)o2)cc1 ZINC000408714451 557753637 /nfs/dbraw/zinc/75/36/37/557753637.db2.gz RDADZIIOUPBUDT-HDICACEKSA-N 0 0 424.501 2.959 40 0 HFABRN COc1ccc(-c2nnc(CN(C)S(=O)(=O)c3ccc(C)cc3)o2)cc1OC ZINC000408714631 557754371 /nfs/dbraw/zinc/75/43/71/557754371.db2.gz TTXNJAHSDWASLX-UHFFFAOYSA-N 0 0 403.460 2.883 40 0 HFABRN COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccccc3C)C2)cc1 ZINC000008053310 557771553 /nfs/dbraw/zinc/77/15/53/557771553.db2.gz UREKUOXIFZJLNV-SFHVURJKSA-N 0 0 402.516 2.721 40 0 HFABRN COc1ccc(C(=O)Nc2cccc(NC(C)=O)c2)cc1S(=O)(=O)N1CCCC1 ZINC000008476168 557792989 /nfs/dbraw/zinc/79/29/89/557792989.db2.gz DOAHNVPCYVTMMQ-UHFFFAOYSA-N 0 0 417.487 2.690 40 0 HFABRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3ccccc3O)sc2=N[C@H]1c1ccccc1 ZINC000408732063 557799258 /nfs/dbraw/zinc/79/92/58/557799258.db2.gz OTMYJOINSWBHOL-LVSKKATPSA-N 0 0 420.490 2.613 40 0 HFABRN CCOc1ccccc1/C=c1\sc2nnc(-c3ccc(OC)c(OC)c3)n2c1=O ZINC000009187937 557825723 /nfs/dbraw/zinc/82/57/23/557825723.db2.gz DBVDFJOCJCAZOY-PDGQHHTCSA-N 0 0 409.467 2.782 40 0 HFABRN COc1ccc([C@H]2[C@@H](C(=O)Nc3ccccc3OC)[C@H](C)Nc3ncnn32)c(OC)c1 ZINC000036701591 557849840 /nfs/dbraw/zinc/84/98/40/557849840.db2.gz CEJBREKUMQSSIC-MRFFXTKBSA-N 0 0 423.473 2.962 40 0 HFABRN CCN1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)N[C@@H](c2ccncc2)c2ccc(C)c(C)c2)[C@@H]3C1=O ZINC000036748638 557852161 /nfs/dbraw/zinc/85/21/61/557852161.db2.gz KMYBSOMULUGOHA-YLYPHGCXSA-N 0 0 417.509 2.706 40 0 HFABRN COC(=O)c1cccc(NC(=O)[C@@H](C)N(c2cc(C)ccc2C)S(C)(=O)=O)c1 ZINC000010328140 557860434 /nfs/dbraw/zinc/86/04/34/557860434.db2.gz XLGYPNCCWQJBHE-OAHLLOKOSA-N 0 0 404.488 2.883 40 0 HFABRN CN(CCc1ccccn1)C(=O)[C@H]1CN(Cc2cn(C)c3ccc(F)cc23)CCO1 ZINC000019745260 558266073 /nfs/dbraw/zinc/26/60/73/558266073.db2.gz IYHKGPZIOQSHDP-JOCHJYFZSA-N 0 0 410.493 2.614 40 0 HFABRN COc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cnc(C)cn3)CC2)cn1 ZINC000019747113 558266953 /nfs/dbraw/zinc/26/69/53/558266953.db2.gz PBCGOIQACKOWAN-HXUWFJFHSA-N 0 0 423.517 2.736 40 0 HFABRN CC(C)(CNC(=O)c1ccc(=O)n(CC(=O)N2CCCCC2)c1)c1ccccc1F ZINC000019749204 558268364 /nfs/dbraw/zinc/26/83/64/558268364.db2.gz PPFCALDQFYRBJV-UHFFFAOYSA-N 0 0 413.493 2.708 40 0 HFABRN Cc1cnn(CC(=O)N2CCC[C@@H](NC(=O)c3ccc(C(F)(F)F)nc3C)CC2)c1 ZINC000019749376 558268652 /nfs/dbraw/zinc/26/86/52/558268652.db2.gz WCUCJDLTCBOMQS-OAHLLOKOSA-N 0 0 423.439 2.725 40 0 HFABRN COc1ccc(CCC(=O)N2CCC[C@H](NC(=O)c3cnc(C)cn3)CC2)cc1C ZINC000019749758 558269511 /nfs/dbraw/zinc/26/95/11/558269511.db2.gz MUQOUVHLHFKDIR-IBGZPJMESA-N 0 0 410.518 2.846 40 0 HFABRN CN(C(=O)c1nccc2ccccc21)[C@@H]1CCCN(C(=O)c2ccc(=O)n(C)c2)CC1 ZINC000019749852 558269664 /nfs/dbraw/zinc/26/96/64/558269664.db2.gz KOMIYYQOJIZMQP-LJQANCHMSA-N 0 0 418.497 2.700 40 0 HFABRN Cn1cnc2ccc(NC(=O)Cn3cccc(C(=O)Nc4ccc(F)cc4)c3=O)cc21 ZINC000019750699 558270596 /nfs/dbraw/zinc/27/05/96/558270596.db2.gz IGLPGUWTEWRYSI-UHFFFAOYSA-N 0 0 419.416 2.765 40 0 HFABRN CCn1c(C)nc2cc(NC(=O)c3ccc(=O)n(CC(=O)N4CCCCC4)c3)ccc21 ZINC000019750902 558270977 /nfs/dbraw/zinc/27/09/77/558270977.db2.gz LMQDWHWTGOKXAE-UHFFFAOYSA-N 0 0 421.501 2.791 40 0 HFABRN O=C(Cc1ccccc1)N1CC[C@H](c2cc(C(=O)NCCO)c3ccccc3n2)C1 ZINC000019753930 558273315 /nfs/dbraw/zinc/27/33/15/558273315.db2.gz SDIXRLRDLHYJOZ-SFHVURJKSA-N 0 0 403.482 2.516 40 0 HFABRN COc1ccccc1NC(=O)c1cnc([C@@H]2CCCN2S(=O)(=O)C(C)C)nc1C ZINC000019755377 558274016 /nfs/dbraw/zinc/27/40/16/558274016.db2.gz RSHTVEMTRKFWGA-KRWDZBQOSA-N 0 0 418.519 2.921 40 0 HFABRN Cc1nc(CC2CCN(S(=O)(=O)c3cn(C)cn3)CC2)cc(NC2CCCC2)n1 ZINC000019758832 558275304 /nfs/dbraw/zinc/27/53/04/558275304.db2.gz FCBZOZVPXGKJFS-UHFFFAOYSA-N 0 0 418.567 2.516 40 0 HFABRN O=C(c1cc([C@H]2CN(Cc3ccncc3)CCO2)nc2ccccc21)N1CCOCC1 ZINC000019759332 558275822 /nfs/dbraw/zinc/27/58/22/558275822.db2.gz HXWHTTPLJFNAAF-HSZRJFAPSA-N 0 0 418.497 2.676 40 0 HFABRN Cc1nc([C@@H]2CCCCN2C(=O)c2nccn2C)ncc1C(=O)NCc1ccccc1 ZINC000019764275 558277830 /nfs/dbraw/zinc/27/78/30/558277830.db2.gz LLJLCGNPUZMBJZ-IBGZPJMESA-N 0 0 418.501 2.816 40 0 HFABRN CCN(CC(=O)NCCc1ccccc1)S(=O)(=O)c1ccc(OC)c(Cl)c1 ZINC000019930078 558309711 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40 0 HFABRN COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)cc1OC ZINC000020005079 558318081 /nfs/dbraw/zinc/31/80/81/558318081.db2.gz ZPXUOVUQMQLXFJ-QGZVFWFLSA-N 0 0 420.531 2.508 40 0 HFABRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1cc(C)ccc1OC ZINC000020006691 558318306 /nfs/dbraw/zinc/31/83/06/558318306.db2.gz HEWLZYXULNLMOO-FUHWJXTLSA-N 0 0 404.532 2.808 40 0 HFABRN COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)NC(C)C ZINC000020009313 558318742 /nfs/dbraw/zinc/31/87/42/558318742.db2.gz CYGXEYAYBWTZDH-INIZCTEOSA-N 0 0 410.923 2.763 40 0 HFABRN COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc(F)c(F)c2)cc1Cl ZINC000020016227 558320002 /nfs/dbraw/zinc/32/00/02/558320002.db2.gz GOTDDNGSMBIGGM-VIFPVBQESA-N 0 0 404.822 2.932 40 0 HFABRN CCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(F)c(F)c2F)cc1 ZINC000020019729 558321196 /nfs/dbraw/zinc/32/11/96/558321196.db2.gz CCQQNKKXBQDJAO-UHFFFAOYSA-N 0 0 402.394 2.810 40 0 HFABRN CC(=O)N1Cc2ccccc2O[C@]2(CCCN(S(=O)(=O)c3ccc(C)cc3)C2)C1 ZINC000012087142 558322022 /nfs/dbraw/zinc/32/20/22/558322022.db2.gz CLMVOVCTFCGTAP-JOCHJYFZSA-N 0 0 414.527 2.959 40 0 HFABRN CCCNS(=O)(=O)c1cc(C(=O)N[C@H](C)c2ccccc2OC)ccc1OC ZINC000020025038 558322297 /nfs/dbraw/zinc/32/22/97/558322297.db2.gz DLMIXNNQCTUDGI-CQSZACIVSA-N 0 0 406.504 2.883 40 0 HFABRN CN(C)S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000020041121 558325881 /nfs/dbraw/zinc/32/58/81/558325881.db2.gz UYLOBPQRKXXWMD-INIZCTEOSA-N 0 0 403.504 2.936 40 0 HFABRN COc1ccccc1N1CCN(C(=O)c2ccc(NS(C)(=O)=O)cc2Cl)CC1 ZINC000020050787 558328538 /nfs/dbraw/zinc/32/85/38/558328538.db2.gz IEONBVNVGDDZGG-UHFFFAOYSA-N 0 0 423.922 2.683 40 0 HFABRN C[C@@H]1CCCC[C@H]1NC(=O)Cn1c2ccccc2n2c(=O)n(Cc3cccnc3)nc12 ZINC000012117662 558329196 /nfs/dbraw/zinc/32/91/96/558329196.db2.gz ZWCFDTXRIBIUJC-SJLPKXTDSA-N 0 0 418.501 2.589 40 0 HFABRN CC(C)CC(=O)N1CCC[C@@H](c2nc(-c3cccnc3)ncc2S(C)(=O)=O)C1 ZINC000012119294 558330260 /nfs/dbraw/zinc/33/02/60/558330260.db2.gz JALBLWHSDJNFRV-MRXNPFEDSA-N 0 0 402.520 2.694 40 0 HFABRN CCCc1cc(C(=O)N2CCC[C@@H](c3cc(C(F)(F)F)n4ncnc4n3)C2)[nH]n1 ZINC000012126654 558331291 /nfs/dbraw/zinc/33/12/91/558331291.db2.gz BNWGJSZSGBPDDS-LLVKDONJSA-N 0 0 407.400 2.839 40 0 HFABRN O=C(C[C@H]1NC(=O)c2ccccc21)N1CCC(n2nnc(-c3ccc(F)cc3)n2)CC1 ZINC000012143219 558335207 /nfs/dbraw/zinc/33/52/07/558335207.db2.gz HZTVBJCRZDWLPZ-LJQANCHMSA-N 0 0 420.448 2.518 40 0 HFABRN COc1ccc(CN(C)S(=O)(=O)c2ccc(N3CCCC3=O)c(C)c2)cc1OC ZINC000020110518 558335637 /nfs/dbraw/zinc/33/56/37/558335637.db2.gz ATOZCVQXFHCNAW-UHFFFAOYSA-N 0 0 418.515 2.960 40 0 HFABRN CCc1ccccc1N(CC(=O)N(C)Cc1ccc(OC)c(OC)c1)S(C)(=O)=O ZINC000020111463 558336060 /nfs/dbraw/zinc/33/60/60/558336060.db2.gz LJVDNXUNJREZFF-UHFFFAOYSA-N 0 0 420.531 2.691 40 0 HFABRN Cc1ccc(S(=O)(=O)C2(C(=O)N[C@H](C)Cn3nnc4ccccc43)CC2)cc1C ZINC000012145067 558336250 /nfs/dbraw/zinc/33/62/50/558336250.db2.gz HIQLYGFUIIDCNU-MRXNPFEDSA-N 0 0 412.515 2.559 40 0 HFABRN Nc1cc(-c2ccco2)nn(CC(=O)NC(c2ccccc2)c2ccccc2)c1=O ZINC000012146674 558338044 /nfs/dbraw/zinc/33/80/44/558338044.db2.gz LKNAKCFYAZBEIP-UHFFFAOYSA-N 0 0 400.438 2.991 40 0 HFABRN Cc1noc(-c2cnc(N(C)C)nc2CN(C)S(=O)(=O)c2ccc(F)cc2)c1C ZINC000012182317 558343406 /nfs/dbraw/zinc/34/34/06/558343406.db2.gz MWFNXKXZFBGHDO-UHFFFAOYSA-N 0 0 419.482 2.774 40 0 HFABRN Cc1cc(-c2cnc(NC3CC3)nc2C2CCN(C(=O)c3cnccn3)CC2)on1 ZINC000012183867 558343959 /nfs/dbraw/zinc/34/39/59/558343959.db2.gz BVCSROQEMUMHAW-UHFFFAOYSA-N 0 0 405.462 2.824 40 0 HFABRN C[C@]1(NC(=O)Cn2c(-c3ccc(F)cc3)cc3cccnc32)CCS(=O)(=O)C1 ZINC000012220960 558355900 /nfs/dbraw/zinc/35/59/00/558355900.db2.gz SEDGUNVUFUHKPD-FQEVSTJZSA-N 0 0 401.463 2.536 40 0 HFABRN NC(=O)c1cc2cc(F)ccc2nc1[C@@H]1CCCN(C(=O)COc2cccnc2)C1 ZINC000012255880 558362694 /nfs/dbraw/zinc/36/26/94/558362694.db2.gz SSJBTXUVIXFUBM-CQSZACIVSA-N 0 0 408.433 2.653 40 0 HFABRN CC[C@H](Cn1nc(-c2ccc(OC)cc2)ccc1=O)NC(=O)c1ccc2c(c1)OCO2 ZINC000012276247 558364211 /nfs/dbraw/zinc/36/42/11/558364211.db2.gz OOXBDLHIXHUBEI-QGZVFWFLSA-N 0 0 421.453 2.856 40 0 HFABRN CCn1c(=O)oc2cc(S(=O)(=O)N3CC[C@](O)(c4ccccc4)C3)c(Cl)cc21 ZINC000012276847 558364740 /nfs/dbraw/zinc/36/47/40/558364740.db2.gz BXGCTNWOFFBQEJ-LJQANCHMSA-N 0 0 422.890 2.550 40 0 HFABRN CC[C@@H](C)NC(=O)C1CCN(S(=O)(=O)Cc2ccc(Br)cc2)CC1 ZINC000020461134 558373050 /nfs/dbraw/zinc/37/30/50/558373050.db2.gz FMAIKNMGSSLXDW-CYBMUJFWSA-N 0 0 417.369 2.906 40 0 HFABRN COc1cccc(CCCNS(=O)(=O)c2ccc(OC)c(N3CCCC3=O)c2)c1 ZINC000020461362 558372983 /nfs/dbraw/zinc/37/29/83/558372983.db2.gz OXMJFMZAEOTXLA-UHFFFAOYSA-N 0 0 418.515 2.742 40 0 HFABRN Cc1ccc(CN(C)C(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1 ZINC000020494442 558379677 /nfs/dbraw/zinc/37/96/77/558379677.db2.gz PSBXWBOSIGMQCY-SFHVURJKSA-N 0 0 408.907 2.834 40 0 HFABRN COc1cc(-c2cnc(NC[C@@H]3COCCO3)nc2-c2cccs2)nc(OC)n1 ZINC000012327932 558383501 /nfs/dbraw/zinc/38/35/01/558383501.db2.gz IONZLQWLNIMGOZ-GFCCVEGCSA-N 0 0 415.475 2.507 40 0 HFABRN CCOC(=O)[C@@H]1C([O-])=NC(N2CCc3ccccc3C2)=[NH+][C@H]1c1ccccc1OCC ZINC000020801752 558415598 /nfs/dbraw/zinc/41/55/98/558415598.db2.gz UTNCZXYGWCPGBY-SFTDATJTSA-N 0 0 421.497 2.850 40 0 HFABRN CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)c2cc(OC)cc(OC)c2)cc1 ZINC000022226855 558467034 /nfs/dbraw/zinc/46/70/34/558467034.db2.gz JDQSICWWNIVGFH-UHFFFAOYSA-N 0 0 420.531 2.707 40 0 HFABRN Cc1ccc(S(=O)(=O)NCCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 ZINC000022227701 558467537 /nfs/dbraw/zinc/46/75/37/558467537.db2.gz IGTACGYUGLCLNZ-UHFFFAOYSA-N 0 0 422.572 2.691 40 0 HFABRN COc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccccc2OC)c1 ZINC000022229898 558468878 /nfs/dbraw/zinc/46/88/78/558468878.db2.gz GEAWJKGJMVMHSX-KRWDZBQOSA-N 0 0 404.488 2.804 40 0 HFABRN CS(=O)(=O)N(Cc1ccccc1)c1ccc(OCC(=O)NCc2ccco2)cc1 ZINC000022231009 558469264 /nfs/dbraw/zinc/46/92/64/558469264.db2.gz NBJFTQXGCXVUFU-UHFFFAOYSA-N 0 0 414.483 2.941 40 0 HFABRN CCOCCCNC(=O)COc1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1 ZINC000022231302 558469446 /nfs/dbraw/zinc/46/94/46/558469446.db2.gz NFFGHBZSEWRQSI-UHFFFAOYSA-N 0 0 420.531 2.574 40 0 HFABRN CCn1cc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)c(=O)c2cc(Cl)ccc21 ZINC000022234921 558470299 /nfs/dbraw/zinc/47/02/99/558470299.db2.gz BDLSSKGWWVANSN-UHFFFAOYSA-N 0 0 405.863 2.575 40 0 HFABRN CCS(=O)(=O)N(C)c1cc(OC)c(OC)cc1C(=O)Nc1cccc(C(C)=O)c1 ZINC000022252843 558473780 /nfs/dbraw/zinc/47/37/80/558473780.db2.gz BTGGJBOBZXNSDP-UHFFFAOYSA-N 0 0 420.487 2.945 40 0 HFABRN CCS(=O)(=O)N(C)c1cc(OC)c(OC)cc1C(=O)Nc1ccc(OC)cc1 ZINC000022252771 558473811 /nfs/dbraw/zinc/47/38/11/558473811.db2.gz HCAGKRZMHOJUIM-UHFFFAOYSA-N 0 0 408.476 2.751 40 0 HFABRN CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)cc1 ZINC000022271153 558475353 /nfs/dbraw/zinc/47/53/53/558475353.db2.gz CMWIDDIFEWUTKF-LJQANCHMSA-N 0 0 404.532 2.890 40 0 HFABRN COc1ccccc1CCCNC(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O ZINC000022328198 558479072 /nfs/dbraw/zinc/47/90/72/558479072.db2.gz GAHJSDXKKBQBMX-UHFFFAOYSA-N 0 0 404.532 2.827 40 0 HFABRN COc1cccc(CCCNC(=O)CN(c2cc(C)ccc2C)S(C)(=O)=O)c1 ZINC000022328676 558479091 /nfs/dbraw/zinc/47/90/91/558479091.db2.gz UEDUODITGMHLJB-UHFFFAOYSA-N 0 0 404.532 2.827 40 0 HFABRN Cc1ccccc1OC[C@H](C)NC(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000022331315 558480025 /nfs/dbraw/zinc/48/00/25/558480025.db2.gz ZUBWYGUBQVNXSY-HNNXBMFYSA-N 0 0 410.923 2.998 40 0 HFABRN Cc1ccccc1OC[C@@H](C)NC(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000022331319 558480080 /nfs/dbraw/zinc/48/00/80/558480080.db2.gz ZUBWYGUBQVNXSY-OAHLLOKOSA-N 0 0 410.923 2.998 40 0 HFABRN CC[C@@H](NC(=O)CN(c1ccccc1F)S(C)(=O)=O)c1ccc(OC)c(OC)c1 ZINC000022335442 558481150 /nfs/dbraw/zinc/48/11/50/558481150.db2.gz KLFCBWHOATXHMI-MRXNPFEDSA-N 0 0 424.494 2.876 40 0 HFABRN Cc1ccc(N(CC(=O)NCCN(C)c2ccccc2)S(C)(=O)=O)cc1Cl ZINC000022337582 558481863 /nfs/dbraw/zinc/48/18/63/558481863.db2.gz HCTXOXHHSVSEHX-UHFFFAOYSA-N 0 0 409.939 2.667 40 0 HFABRN COc1cccc(CCCNC(=O)CN(c2c(C)cccc2C)S(C)(=O)=O)c1 ZINC000022338529 558481914 /nfs/dbraw/zinc/48/19/14/558481914.db2.gz KQNLLLZVNLJSSR-UHFFFAOYSA-N 0 0 404.532 2.827 40 0 HFABRN Cc1ccc([C@H](C)NC(=O)CN(c2ccc3c(c2)OCO3)S(C)(=O)=O)cc1C ZINC000022368411 558483684 /nfs/dbraw/zinc/48/36/84/558483684.db2.gz CJQSLLRWQGIUGA-HNNXBMFYSA-N 0 0 404.488 2.676 40 0 HFABRN CCOc1cccc(N(CC(=O)Nc2ccc(OC)c(OC)c2)S(C)(=O)=O)c1 ZINC000022382666 558484916 /nfs/dbraw/zinc/48/49/16/558484916.db2.gz SFIHPTTWFAJNQU-UHFFFAOYSA-N 0 0 408.476 2.507 40 0 HFABRN CCOc1cccc(N(CC(=O)NCCSc2ccccc2)S(C)(=O)=O)c1 ZINC000022384341 558485043 /nfs/dbraw/zinc/48/50/43/558485043.db2.gz BWOVGPLEFGRGPU-UHFFFAOYSA-N 0 0 408.545 2.760 40 0 HFABRN CCCOc1ccc(N(CC(=O)Nc2ccc(C(=O)OC)cc2)S(C)(=O)=O)cc1 ZINC000022383197 558485047 /nfs/dbraw/zinc/48/50/47/558485047.db2.gz VACVRBYTWHARFV-UHFFFAOYSA-N 0 0 420.487 2.667 40 0 HFABRN COc1ccc(OC[C@@H](C)NC(=O)CN(c2ccc(C)cc2C)S(C)(=O)=O)cc1 ZINC000022432298 558489738 /nfs/dbraw/zinc/48/97/38/558489738.db2.gz XSMTWXQCPKPLIM-QGZVFWFLSA-N 0 0 420.531 2.662 40 0 HFABRN CC(C)(C)NC(=O)C1CCN(S(=O)(=O)Cc2ccc(Br)cc2)CC1 ZINC000022511027 558492849 /nfs/dbraw/zinc/49/28/49/558492849.db2.gz BCBPYIVMKUYIKD-UHFFFAOYSA-N 0 0 417.369 2.906 40 0 HFABRN Cc1cccc(C)c1N(CC(=O)Nc1ccc(N2CCCC2=O)cc1)S(C)(=O)=O ZINC000022511925 558492877 /nfs/dbraw/zinc/49/28/77/558492877.db2.gz PJUDQGINSIIVCX-UHFFFAOYSA-N 0 0 415.515 2.835 40 0 HFABRN COc1ccc(SCC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000022526950 558496056 /nfs/dbraw/zinc/49/60/56/558496056.db2.gz AQCGNPKMKIVDFW-UHFFFAOYSA-N 0 0 400.500 2.860 40 0 HFABRN O=C(C[C@@H]1Sc2nc3ccccc3c(=O)n2NC1=O)Nc1ccc(Cl)cc1 ZINC000022607197 558500927 /nfs/dbraw/zinc/50/09/27/558500927.db2.gz UCYVAVXMBNHSQC-AWEZNQCLSA-N 0 0 400.847 2.623 40 0 HFABRN Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCC(C)CC4)[nH]c(=O)c32)cc1C ZINC000022610290 558501615 /nfs/dbraw/zinc/50/16/15/558501615.db2.gz PCQWMGRUVAUSFC-INIZCTEOSA-N 0 0 409.490 2.688 40 0 HFABRN CN1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)c(F)c2)CC1 ZINC000037093214 558507205 /nfs/dbraw/zinc/50/72/05/558507205.db2.gz FIFILKWHNSGATE-UHFFFAOYSA-N 0 0 411.886 2.668 40 0 HFABRN COc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(F)ccc3OC)C2)cc1 ZINC000013580717 558544373 /nfs/dbraw/zinc/54/43/73/558544373.db2.gz BWXYZYHLPOZWNW-CQSZACIVSA-N 0 0 422.478 2.882 40 0 HFABRN COC(=O)C1CCN(C(=O)c2ccccc2N(C)S(=O)(=O)c2ccccc2)CC1 ZINC000013649613 558558140 /nfs/dbraw/zinc/55/81/40/558558140.db2.gz GMNNSTCTZSTZHV-UHFFFAOYSA-N 0 0 416.499 2.537 40 0 HFABRN Cc1cccc(CNC(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)c1 ZINC000013674380 558563825 /nfs/dbraw/zinc/56/38/25/558563825.db2.gz ZLUHGBRUJHVJFO-UHFFFAOYSA-N 0 0 411.321 2.840 40 0 HFABRN CCS(=O)(=O)N1C[C@@H](C(=O)NC23CC4CC(CC(C4)C2)C3)Oc2ccccc21 ZINC000013679368 558565767 /nfs/dbraw/zinc/56/57/67/558565767.db2.gz QIIOXYHQKAZBPX-IXYLRAAXSA-N 0 0 404.532 2.689 40 0 HFABRN CC[C@H](C(=O)Nc1ccccc1C(N)=O)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000013686368 558569734 /nfs/dbraw/zinc/56/97/34/558569734.db2.gz JTOQXNWBPINYKS-MRXNPFEDSA-N 0 0 409.895 2.622 40 0 HFABRN CC[C@@H](C(=O)Nc1ccccc1C(N)=O)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000013686664 558569866 /nfs/dbraw/zinc/56/98/66/558569866.db2.gz JSEGPNDEDPQGJB-SFHVURJKSA-N 0 0 403.504 2.586 40 0 HFABRN CC[C@H](C(=O)NCc1ccc2c(c1)OCO2)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013712567 558576805 /nfs/dbraw/zinc/57/68/05/558576805.db2.gz JBTSRYSOCUYUTI-MRXNPFEDSA-N 0 0 424.906 2.930 40 0 HFABRN CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc(OC)c(OC)c2)ccc1OC ZINC000015012099 558700734 /nfs/dbraw/zinc/70/07/34/558700734.db2.gz ACEBGDVWBQUVKJ-UHFFFAOYSA-N 0 0 422.503 2.995 40 0 HFABRN COc1cc(C)c(S(=O)(=O)NCc2ccccc2CN2CCOCC2)c(C)c1 ZINC000029259252 558712555 /nfs/dbraw/zinc/71/25/55/558712555.db2.gz TUGIXZOVIXOUMV-UHFFFAOYSA-N 0 0 404.532 2.623 40 0 HFABRN COc1ccc(CN(C)S(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)c(OC)c1 ZINC000015360504 558735895 /nfs/dbraw/zinc/73/58/95/558735895.db2.gz IOQMHLWYKRIKDG-UHFFFAOYSA-N 0 0 418.515 2.824 40 0 HFABRN COC(=O)c1cccc(NC(=O)c2ccc(CS(=O)(=O)N3CCCC3)cc2)c1 ZINC000030754073 558736721 /nfs/dbraw/zinc/73/67/21/558736721.db2.gz NXGUFRYKBCHNOU-UHFFFAOYSA-N 0 0 402.472 2.651 40 0 HFABRN COc1ccc([C@@H](C)NC(=O)CN(c2cccc(C)c2C)S(C)(=O)=O)cc1OC ZINC000030755493 558736817 /nfs/dbraw/zinc/73/68/17/558736817.db2.gz AACXEWUTPUYWCK-MRXNPFEDSA-N 0 0 420.531 2.964 40 0 HFABRN COc1ccccc1OCCNC(=O)c1cc(-c2cnn(C)c2)nc2onc(C)c21 ZINC000036618938 558739843 /nfs/dbraw/zinc/73/98/43/558739843.db2.gz RODRINOAAFJEDE-UHFFFAOYSA-N 0 0 407.430 2.749 40 0 HFABRN COc1ccc(S(=O)(=O)Nc2cccc(NC(C)=O)c2)cc1N1CCCC1=O ZINC000030856844 558741229 /nfs/dbraw/zinc/74/12/29/558741229.db2.gz RBUZYPLIKZNQSS-UHFFFAOYSA-N 0 0 403.460 2.581 40 0 HFABRN CC[C@@H](Oc1ccc(F)cc1)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000030868974 558743182 /nfs/dbraw/zinc/74/31/82/558743182.db2.gz QVVRCDWKJKRDTH-LJQANCHMSA-N 0 0 406.479 2.516 40 0 HFABRN C[C@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)N(c1ccccc1)S(C)(=O)=O ZINC000030873367 558743538 /nfs/dbraw/zinc/74/35/38/558743538.db2.gz COTVBJABXAFZKG-OAHLLOKOSA-N 0 0 401.488 2.607 40 0 HFABRN COc1ccc(CN(C)C(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)cc1 ZINC000031637430 558751338 /nfs/dbraw/zinc/75/13/38/558751338.db2.gz RXDYFYCTUALIQS-SFHVURJKSA-N 0 0 402.516 2.755 40 0 HFABRN CCCCOC(=O)c1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccccc2)cc1 ZINC000068741425 558757066 /nfs/dbraw/zinc/75/70/66/558757066.db2.gz NBGLUOXGXQWSQV-HNNXBMFYSA-N 0 0 404.488 2.949 40 0 HFABRN O=C(NCCc1c[nH]c2ccccc12)[C@@H]1[C@H]2C=C[C@]3(CN(C4CCCC4)C(=O)[C@H]13)O2 ZINC000015894182 558760905 /nfs/dbraw/zinc/76/09/05/558760905.db2.gz JMQHDPGEFRNBMV-IUBSTNSRSA-N 0 0 405.498 2.551 40 0 biogenic HFABRN COC(=O)c1ccc(N2CCOCC2)c(NC(=O)c2c(OC)cccc2OC)c1 ZINC000016228112 558780030 /nfs/dbraw/zinc/78/00/30/558780030.db2.gz JXYHOTHCFDEDGS-UHFFFAOYSA-N 0 0 400.431 2.579 40 0 HFABRN COc1cccc(NC(=O)COc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 ZINC000016228064 558780161 /nfs/dbraw/zinc/78/01/61/558780161.db2.gz OYNDMWMOHJZZTR-UHFFFAOYSA-N 0 0 404.488 2.887 40 0 HFABRN COc1ccc(NC(=S)Nc2ccc(C)cc2)cc1S(=O)(=O)N1CCOCC1 ZINC000016271068 558782934 /nfs/dbraw/zinc/78/29/34/558782934.db2.gz IKLLGCZRSCGZNM-UHFFFAOYSA-N 0 0 421.544 2.833 40 0 HFABRN COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(C)c(Cl)c2)cc1OC ZINC000016312937 558785777 /nfs/dbraw/zinc/78/57/77/558785777.db2.gz HDQZWTDLJOZXHE-UHFFFAOYSA-N 0 0 412.895 2.925 40 0 HFABRN Cn1c2ccc(NC(=O)[C@@H](c3ccc(Cl)cc3)N3CCOCC3)cc2n(C)c1=O ZINC000036752348 558802870 /nfs/dbraw/zinc/80/28/70/558802870.db2.gz ITHGHRXQAIIDBJ-LJQANCHMSA-N 0 0 414.893 2.542 40 0 HFABRN CCC(=O)N1CCC[C@H](c2cc3cccnc3n2CC(=O)N2C[C@@H](C)O[C@H](C)C2)C1 ZINC000072395401 558809089 /nfs/dbraw/zinc/80/90/89/558809089.db2.gz GYPYIJAGUAACOA-LMMKCTJWSA-N 0 0 412.534 2.788 40 0 HFABRN CC(=O)NCCc1ccc(NCCCc2c(-c3ccccc3)nc(N)[nH]c2=O)cc1 ZINC000017040404 558812685 /nfs/dbraw/zinc/81/26/85/558812685.db2.gz UPFBVRNKMGLOPN-UHFFFAOYSA-N 0 0 405.502 2.742 40 0 HFABRN CCN(CC)C(=O)C1CCN(S(=O)(=O)Cc2cccc(Br)c2)CC1 ZINC000038773192 558815663 /nfs/dbraw/zinc/81/56/63/558815663.db2.gz BFNBRBRONIPCJT-UHFFFAOYSA-N 0 0 417.369 2.859 40 0 HFABRN O=C(C[C@H]1C(=O)N(C2CC2)c2nc3ccccc3n21)Nc1ccc2c(c1)OCCO2 ZINC000039964133 558823126 /nfs/dbraw/zinc/82/31/26/558823126.db2.gz MAFSJHACJMYHSL-KRWDZBQOSA-N 0 0 404.426 2.886 40 0 HFABRN CCN(CC(=O)N1CCCCCC1)S(=O)(=O)c1ccc(Br)cc1 ZINC000039985357 558823302 /nfs/dbraw/zinc/82/33/02/558823302.db2.gz CFAPGCWKONRRGG-UHFFFAOYSA-N 0 0 403.342 2.862 40 0 HFABRN CC(C)C[C@@H](c1nnnn1Cc1ccc2c(c1)OCO2)N1CCC(C(N)=O)CC1 ZINC000082061251 558827620 /nfs/dbraw/zinc/82/76/20/558827620.db2.gz CXJJGZMQAARCFU-INIZCTEOSA-N 0 0 400.483 2.785 40 0 HFABRN CC(=O)N[C@@H](c1nccs1)[C@H]1CCCN(C(=O)Cc2ccc3c(c2)OCCO3)C1 ZINC000019020876 558837693 /nfs/dbraw/zinc/83/76/93/558837693.db2.gz YUXKDVZZWAQVBF-OXJNMPFZSA-N 0 0 415.515 2.573 40 0 HFABRN COc1ccc([C@@H]2CCCN2C(=O)[C@@H](C)Oc2ccc(-n3cnnn3)cc2)c(OC)c1 ZINC000019078680 558838660 /nfs/dbraw/zinc/83/86/60/558838660.db2.gz LGUJSEJDPNOESZ-QRWLVFNGSA-N 0 0 423.473 2.811 40 0 HFABRN CC(C)(C)OC(=O)N[C@@H](Cc1cc(=O)[nH]c(N2CCOCC2)n1)c1ccc(F)cc1 ZINC000019083244 558840458 /nfs/dbraw/zinc/84/04/58/558840458.db2.gz VIMNRGMIEXYLAT-KRWDZBQOSA-N 0 0 418.469 2.966 40 0 HFABRN Cc1cccc(CNC(=O)CN(C)S(=O)(=O)c2ccc(Br)cc2)c1 ZINC000046575071 558840794 /nfs/dbraw/zinc/84/07/94/558840794.db2.gz IOBQXOLSWBBUPQ-UHFFFAOYSA-N 0 0 411.321 2.694 40 0 HFABRN CC(C)C(=O)N1CCO[C@@](Cc2cccc(-c3ccncc3)c2)(C(=O)NC2CC2)C1 ZINC000019085840 558841396 /nfs/dbraw/zinc/84/13/96/558841396.db2.gz IPDYQWWYEYENDR-XMMPIXPASA-N 0 0 407.514 2.823 40 0 HFABRN CC(C)C(=O)N1CCO[C@](Cc2cccc(-c3cccnc3)c2)(C(=O)NC2CC2)C1 ZINC000019085830 558841427 /nfs/dbraw/zinc/84/14/27/558841427.db2.gz QACQYNHFFOPXDW-DEOSSOPVSA-N 0 0 407.514 2.823 40 0 HFABRN CC(=O)N1CCC(C(=O)N2CCC(c3nc(C)cc(-c4nccs4)n3)CC2)CC1 ZINC000019118497 558842435 /nfs/dbraw/zinc/84/24/35/558842435.db2.gz FGNLZLJQDXCCGJ-UHFFFAOYSA-N 0 0 413.547 2.873 40 0 HFABRN COc1ccc(C)cc1S(=O)(=O)N1CCC(c2nnc3n2CCCCC3)CC1 ZINC000019134433 558845918 /nfs/dbraw/zinc/84/59/18/558845918.db2.gz HULKJHUYUGTNFL-UHFFFAOYSA-N 0 0 404.536 2.890 40 0 HFABRN Cc1ccc(-c2ccc(C[C@@]3(C(N)=O)CCCN(C(=O)c4nc[nH]n4)C3)cc2)cc1 ZINC000019212455 558848878 /nfs/dbraw/zinc/84/88/78/558848878.db2.gz INUVAPANYOPKIK-QHCPKHFHSA-N 0 0 403.486 2.731 40 0 HFABRN Cc1nccn1CCCC(=O)N1CC[C@@H](C(=O)c2cnn(-c3ccc(C)cc3)c2N)C1 ZINC000019213183 558849014 /nfs/dbraw/zinc/84/90/14/558849014.db2.gz FPSFVQZPSFADTE-GOSISDBHSA-N 0 0 420.517 2.779 40 0 HFABRN Cc1ccc(-n2ncc(C(=O)[C@H]3CCN(C(=O)CCc4ccncc4)C3)c2N)cc1 ZINC000019213216 558849082 /nfs/dbraw/zinc/84/90/82/558849082.db2.gz MJSOZUPRSZGRSF-SFHVURJKSA-N 0 0 403.486 2.822 40 0 HFABRN Cc1ccc(-n2ncc3c2N(CC(=O)N(C)C2CCCCC2)C(=O)N2CCN=C32)cc1 ZINC000019213387 558849143 /nfs/dbraw/zinc/84/91/43/558849143.db2.gz RFMHUQHUFMXMEP-UHFFFAOYSA-N 0 0 420.517 2.974 40 0 HFABRN Cc1ccc(-c2cc(N)c(=O)n(CC(=O)N3CCC(Cc4ccccc4)CC3)n2)o1 ZINC000019216728 558850450 /nfs/dbraw/zinc/85/04/50/558850450.db2.gz IYWFMPPLKXJOMF-UHFFFAOYSA-N 0 0 406.486 2.875 40 0 HFABRN Cc1ccc2occ(CN3CCC4(CC3)NC(=O)c3cccnc3N4C)c(=O)c2c1 ZINC000019219829 558851453 /nfs/dbraw/zinc/85/14/53/558851453.db2.gz HCDKLWLNJOYABL-UHFFFAOYSA-N 0 0 404.470 2.668 40 0 HFABRN COCC(=O)N1CCO[C@@](Cc2ccc(-c3cccc(C)c3)cc2)(C(=O)N(C)C)C1 ZINC000019235361 558854301 /nfs/dbraw/zinc/85/43/01/558854301.db2.gz JFBZFTWCFQMXMK-XMMPIXPASA-N 0 0 410.514 2.537 40 0 HFABRN Cc1cccc2c3c([nH]c21)CCN(C(=O)CN1C(=O)N[C@]2(CCCC[C@H]2C)C1=O)C3 ZINC000019236566 558855737 /nfs/dbraw/zinc/85/57/37/558855737.db2.gz YXPRHPZYMGNWHV-CMJOXMDJSA-N 0 0 408.502 2.862 40 0 HFABRN COc1cccc(-c2noc([C@H]3CN(C(=O)c4cn5ccc(C)cc5n4)CCO3)n2)c1 ZINC000019238183 558857262 /nfs/dbraw/zinc/85/72/62/558857262.db2.gz PKKXPSKKEMPDNF-GOSISDBHSA-N 0 0 419.441 2.915 40 0 HFABRN Cc1csc2c([C@@H]3CCCN(C(=O)c4cccc(S(N)(=O)=O)c4)C3)nc(C)n12 ZINC000019240437 558859010 /nfs/dbraw/zinc/85/90/10/558859010.db2.gz IYAYYHRFYJTQFC-OAHLLOKOSA-N 0 0 418.544 2.680 40 0 HFABRN COCCN1Cc2cccc(C(=O)N[C@H](c3nccn3C)c3ccc(F)cc3)c2C1=O ZINC000019291210 558863524 /nfs/dbraw/zinc/86/35/24/558863524.db2.gz TZDYFKMTSBJCEC-FQEVSTJZSA-N 0 0 422.460 2.681 40 0 HFABRN CCOc1ccccc1CNC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000054143889 558866286 /nfs/dbraw/zinc/86/62/86/558866286.db2.gz SVKPWMGWADYJCQ-UHFFFAOYSA-N 0 0 402.516 2.802 40 0 HFABRN COc1cccc([C@H]2NC3=NCN(C[C@@H]4CCCO4)CN3c3nc4ccccc4n32)c1 ZINC000054123582 558866291 /nfs/dbraw/zinc/86/62/91/558866291.db2.gz AIIXHUUGFGMJPJ-RXVVDRJESA-N 0 0 418.501 2.767 40 0 HFABRN O=C(c1cnccn1)N1CCc2nc(N3CCCC3)nc(Oc3ccc(F)cc3)c2C1 ZINC000019336043 558869955 /nfs/dbraw/zinc/86/99/55/558869955.db2.gz IASRRFKFZFVJFV-UHFFFAOYSA-N 0 0 420.448 2.997 40 0 HFABRN Nc1c(C(=O)[C@H]2CCCN(C(=O)Cc3cccnc3)C2)cnn1-c1ccc(F)cc1 ZINC000019338424 558870874 /nfs/dbraw/zinc/87/08/74/558870874.db2.gz JUQVIXQHVYXRBW-INIZCTEOSA-N 0 0 407.449 2.653 40 0 HFABRN O=C(C1CCCCC1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)CN(Cc1cccnc1)CC2 ZINC000019339316 558871178 /nfs/dbraw/zinc/87/11/78/558871178.db2.gz WMQKARMWVSHMOH-NRFANRHFSA-N 0 0 421.545 2.967 40 0 HFABRN O=S(=O)(c1ccc(F)c(F)c1)N1CCO[C@@H](c2nc(-c3cccs3)no2)C1 ZINC000019344730 558872949 /nfs/dbraw/zinc/87/29/49/558872949.db2.gz WDAQLSGSVRQCJS-CYBMUJFWSA-N 0 0 413.427 2.839 40 0 HFABRN O=S(=O)(CCOc1ccccc1)N1CCO[C@H](c2nc(-c3cccs3)no2)C1 ZINC000019373557 558880796 /nfs/dbraw/zinc/88/07/96/558880796.db2.gz JDTYLRCFSXTGGT-HNNXBMFYSA-N 0 0 421.500 2.580 40 0 HFABRN COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N(C)c3ccc(F)cc3)C2)cc1 ZINC000055750517 558884282 /nfs/dbraw/zinc/88/42/82/558884282.db2.gz HGPXOXWJKDAHMW-OAHLLOKOSA-N 0 0 406.479 2.898 40 0 HFABRN C[C@H](CC(=O)Nc1ccc(CN2C(=O)NC(C)(C)C2=O)cc1)n1nnc2ccccc21 ZINC000019455516 558891865 /nfs/dbraw/zinc/89/18/65/558891865.db2.gz KCRIHLNFLWQSSD-CQSZACIVSA-N 0 0 420.473 2.852 40 0 HFABRN COc1ccc([C@@H](c2ccccc2)N2CCN(C(=O)[C@H](C)Cn3cncn3)CC2)cc1 ZINC000019457825 558892499 /nfs/dbraw/zinc/89/24/99/558892499.db2.gz RSCBKVSEFGGVCR-AUSIDOKSSA-N 0 0 419.529 2.857 40 0 HFABRN COc1ccc([C@H](c2ccccc2)N2CCN(C(=O)[C@H](C)Cn3cncn3)CC2)cc1 ZINC000019457823 558892510 /nfs/dbraw/zinc/89/25/10/558892510.db2.gz RSCBKVSEFGGVCR-XXBNENTESA-N 0 0 419.529 2.857 40 0 HFABRN C[C@@H]1Oc2ccc(NC(=O)COc3ccccc3-n3cnnc3C3CC3)cc2NC1=O ZINC000019462171 558893875 /nfs/dbraw/zinc/89/38/75/558893875.db2.gz DPDDBJKRUHRQGJ-ZDUSSCGKSA-N 0 0 419.441 2.882 40 0 HFABRN C[C@@H]1CN(c2nc3c(c(=O)[nH]2)CCN(CC2=Cc4ccccc4OC2)C3)C[C@H](C)O1 ZINC000019497572 558896359 /nfs/dbraw/zinc/89/63/59/558896359.db2.gz MRXOEPRHXRXYEB-IYBDPMFKSA-N 0 0 408.502 2.630 40 0 HFABRN COCCCN1C[C@@H](C(=O)Nc2nc(-c3ccc4c(c3)C[C@H](C)O4)cs2)CC1=O ZINC000019498233 558896895 /nfs/dbraw/zinc/89/68/95/558896895.db2.gz IOACDWIBBNNKKM-BBRMVZONSA-N 0 0 415.515 2.957 40 0 HFABRN CCC(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(C(=O)CC1CCCC1)CC2 ZINC000019498857 558897303 /nfs/dbraw/zinc/89/73/03/558897303.db2.gz GSNFYMZGTOHHPN-GOSISDBHSA-N 0 0 400.523 2.699 40 0 HFABRN CC[C@@H](C)C(=O)N1CCc2cc([C@@H](O)CN3CCN(c4nccs4)CC3)ccc21 ZINC000019499898 558898077 /nfs/dbraw/zinc/89/80/77/558898077.db2.gz CHHNQVSTAWXJKN-UZLBHIALSA-N 0 0 414.575 2.934 40 0 HFABRN CCc1[nH]nc(C(=O)N[C@H](CC)Cn2nc3c(C)cc4ccccc4n3c2=O)c1C ZINC000019520973 558902191 /nfs/dbraw/zinc/90/21/91/558902191.db2.gz OAWLIGNKGKTRQO-MRXNPFEDSA-N 0 0 406.490 2.760 40 0 HFABRN CCn1nc(C)c([C@H](C)NS(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(C)=O)c1C ZINC000019523800 558905117 /nfs/dbraw/zinc/90/51/17/558905117.db2.gz RDLGXRUJPMZBLH-OCCSQVGLSA-N 0 0 404.536 2.857 40 0 HFABRN CCn1c(CNS(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(C)=O)nc2ccccc21 ZINC000019524372 558905656 /nfs/dbraw/zinc/90/56/56/558905656.db2.gz QGSGIUMNHAZFLN-CQSZACIVSA-N 0 0 412.515 2.832 40 0 HFABRN CCn1cc(S(=O)(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cn1 ZINC000019525079 558906437 /nfs/dbraw/zinc/90/64/37/558906437.db2.gz SGACRWNTJUZODJ-UHFFFAOYSA-N 0 0 410.543 2.999 40 0 HFABRN CCN(C(=O)c1c[nH]nc1C1CCN(C(=O)c2cnccn2)CC1)c1ccccc1 ZINC000019526684 558907922 /nfs/dbraw/zinc/90/79/22/558907922.db2.gz QVZIALXXZMDNRK-UHFFFAOYSA-N 0 0 404.474 2.886 40 0 HFABRN Cc1ncc(C(=O)N2CCC[C@@H](C(=O)c3cnn(-c4ccccc4)c3N)C2)c(C)n1 ZINC000019552443 558915818 /nfs/dbraw/zinc/91/58/18/558915818.db2.gz UAONUWFNHGKLDS-MRXNPFEDSA-N 0 0 404.474 2.596 40 0 HFABRN CN(C)c1ccc(C(=O)N2[C@@H](C(=O)[O-])COC23CC[NH+](Cc2ccccc2)CC3)cc1 ZINC000071980689 558917619 /nfs/dbraw/zinc/91/76/19/558917619.db2.gz MCNISYQUCHQGSJ-OAQYLSRUSA-N 0 0 423.513 2.671 40 0 HFABRN COc1ccc(CN2CCc3c(=O)[nH]c([C@@H]4CCN(C(=O)C5CCC5)C4)nc3C2)cc1 ZINC000019555612 558918435 /nfs/dbraw/zinc/91/84/35/558918435.db2.gz NWDDAEWGEJPYOH-GOSISDBHSA-N 0 0 422.529 2.865 40 0 HFABRN COc1ccc(N2C[C@@H](C(=O)NC[C@@H](C)n3nc(C)c(C)c3C)CC2=O)c(OC)c1 ZINC000019556244 558918755 /nfs/dbraw/zinc/91/87/55/558918755.db2.gz JWWJFQRLDRSJJE-DYVFJYSZSA-N 0 0 414.506 2.556 40 0 HFABRN CC(=O)N1CSC[C@H]1C(=O)N1CCC(c2nc(C)c(-c3ccncn3)s2)CC1 ZINC000019560657 558921605 /nfs/dbraw/zinc/92/16/05/558921605.db2.gz YNSHFHIRGVPNAB-INIZCTEOSA-N 0 0 417.560 2.536 40 0 HFABRN Cc1ncsc1C(=O)N1CCC(c2cc(N(C)C)nc(-c3cnccn3)n2)CC1 ZINC000019562051 558922817 /nfs/dbraw/zinc/92/28/17/558922817.db2.gz NXNGWUDBNNGINR-UHFFFAOYSA-N 0 0 409.519 2.784 40 0 HFABRN Cc1nnsc1C(=O)NC1CCN(Cc2cc(-c3ccccc3F)nn2C)CC1 ZINC000019563612 558923690 /nfs/dbraw/zinc/92/36/90/558923690.db2.gz FZWFUZGFHJNIGW-UHFFFAOYSA-N 0 0 414.510 2.781 40 0 HFABRN Cc1nnsc1C(=O)N[C@@H](Cc1cc(=O)[nH]c(-c2ccccn2)n1)c1ccccc1 ZINC000019563591 558923747 /nfs/dbraw/zinc/92/37/47/558923747.db2.gz VWTMMPREQRRUKX-KRWDZBQOSA-N 0 0 418.482 2.706 40 0 HFABRN COc1cccc(-c2noc([C@@H]3CN(S(=O)(=O)c4ccccc4)CCO3)n2)c1 ZINC000019566817 558926505 /nfs/dbraw/zinc/92/65/05/558926505.db2.gz ZDHPDQNRYKCDMZ-KRWDZBQOSA-N 0 0 401.444 2.507 40 0 HFABRN COc1ccccc1NC(=O)Cc1csc(NC(=O)c2cc3c([nH]c2=O)CCC3)n1 ZINC000019571248 558929934 /nfs/dbraw/zinc/92/99/34/558929934.db2.gz MKHXSCTXEXOCOZ-UHFFFAOYSA-N 0 0 424.482 2.762 40 0 HFABRN COc1ccccc1OCC(=O)N1CCC(n2nc3c(cc2=O)CCCCC3)CC1 ZINC000019571386 558930148 /nfs/dbraw/zinc/93/01/48/558930148.db2.gz OEQOYCGMXBFMMD-UHFFFAOYSA-N 0 0 411.502 2.763 40 0 HFABRN CS(=O)(=O)c1ccc(-n2ncc3c2C[C@@H]2CC[C@H]3N2C(=O)c2cccnc2)cc1 ZINC000019573462 558931484 /nfs/dbraw/zinc/93/14/84/558931484.db2.gz CKVSWGGDYGHTQE-QFBILLFUSA-N 0 0 408.483 2.573 40 0 HFABRN Cc1cc(C)n(Cc2cc(C(=O)NC[C@@H](C)N3CCOCC3)c3ccccc3n2)n1 ZINC000019574376 558931970 /nfs/dbraw/zinc/93/19/70/558931970.db2.gz RYNFMXSSLOCVDZ-GOSISDBHSA-N 0 0 407.518 2.547 40 0 HFABRN Cc1nn(C)c(C)c1CN(C(=O)CCN1C(=O)COc2ccc(Cl)cc21)C1CC1 ZINC000019577772 558933556 /nfs/dbraw/zinc/93/35/56/558933556.db2.gz XPSHIIWSBGBYDS-UHFFFAOYSA-N 0 0 416.909 2.997 40 0 HFABRN COc1ccc(OCC2CCN(C(=O)CCc3c(C)nc4ncnn4c3C)CC2)cc1 ZINC000019578512 558934157 /nfs/dbraw/zinc/93/41/57/558934157.db2.gz OOYIIIBPCPQJIB-UHFFFAOYSA-N 0 0 423.517 3.000 40 0 HFABRN CN(C)C(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CCCN(C(=O)c2cnccn2)C1 ZINC000019579431 558935150 /nfs/dbraw/zinc/93/51/50/558935150.db2.gz FYIGVGAQEFNEEG-QHCPKHFHSA-N 0 0 419.485 2.685 40 0 HFABRN C[C@H]1CCCN(c2nc3c(c(=O)[nH]2)CCN(Cc2coc4ccccc4c2=O)C3)C1 ZINC000072335622 558936665 /nfs/dbraw/zinc/93/66/65/558936665.db2.gz TYWMKVGLEXZPBL-HNNXBMFYSA-N 0 0 406.486 2.671 40 0 HFABRN COc1ccc2c(c1)OC1(CCN(C(=O)c3c(C)nn4cccnc34)CC1)CC2=O ZINC000019582247 558937286 /nfs/dbraw/zinc/93/72/86/558937286.db2.gz HRWVABRLXLQLIN-UHFFFAOYSA-N 0 0 406.442 2.687 40 0 HFABRN CN(C)c1nc2ccccc2cc1CN1CCc2c(N)nc(N3CCCC3)nc2C1 ZINC000019584075 558938328 /nfs/dbraw/zinc/93/83/28/558938328.db2.gz BXGHPBZYFOPCBM-UHFFFAOYSA-N 0 0 403.534 2.832 40 0 HFABRN COc1cc(CCC(=O)N2CCC[C@@H]2c2nc(N(C)C)ncc2-c2ccncc2)on1 ZINC000019585278 558938984 /nfs/dbraw/zinc/93/89/84/558938984.db2.gz KBNXOGHPATWRDX-GOSISDBHSA-N 0 0 422.489 2.898 40 0 HFABRN COc1ccc(C(=O)N2CCC[C@@H]2c2nc(N(C)C)ncc2-c2ccncc2)cn1 ZINC000019585307 558939084 /nfs/dbraw/zinc/93/90/84/558939084.db2.gz NDGQYRRCJFKUHM-GOSISDBHSA-N 0 0 404.474 2.986 40 0 HFABRN COc1ccc(N2C[C@H](C(=O)N(C)C[C@H]3OCCc4ccccc43)CC2=O)c(OC)c1 ZINC000019585999 558939372 /nfs/dbraw/zinc/93/93/72/558939372.db2.gz PKGXDDRSUZNQJQ-VGOFRKELSA-N 0 0 424.497 2.829 40 0 HFABRN CN(CCc1ccccn1)c1nc([C@H]2CC(=O)N(c3ccc(F)cc3)C2)cc(=O)[nH]1 ZINC000019586263 558939379 /nfs/dbraw/zinc/93/93/79/558939379.db2.gz SDCIVLIXJXHLAG-HNNXBMFYSA-N 0 0 407.449 2.503 40 0 HFABRN COc1ccccc1CC(=O)N1CCC[C@@H](c2nc(C)c(CC(=O)N(C)C)c(C)n2)C1 ZINC000072345009 558941413 /nfs/dbraw/zinc/94/14/13/558941413.db2.gz RFJNSJKMAGNPLL-LJQANCHMSA-N 0 0 424.545 2.681 40 0 HFABRN COc1ccccc1CC(=O)N1CCC[C@H](c2nc(C)c(CC(=O)N(C)C)c(C)n2)C1 ZINC000072345010 558941503 /nfs/dbraw/zinc/94/15/03/558941503.db2.gz RFJNSJKMAGNPLL-IBGZPJMESA-N 0 0 424.545 2.681 40 0 HFABRN CNC(=O)[C@]1(Cc2cccc(-c3ccncc3)c2)CCCN(C(=O)c2cnccn2)C1 ZINC000019591257 558941662 /nfs/dbraw/zinc/94/16/62/558941662.db2.gz VZNHVMLWVNMHDS-DEOSSOPVSA-N 0 0 415.497 2.750 40 0 HFABRN CNC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CN(C(=O)c2ccccc2)CCO1 ZINC000019591863 558942651 /nfs/dbraw/zinc/94/26/51/558942651.db2.gz BIUKRYRTJQSBDG-VWLOTQADSA-N 0 0 415.493 2.949 40 0 HFABRN CN1c2ncccc2C(=O)NC12CCN(C(=O)CCc1nc3ccccc3s1)CC2 ZINC000072347131 558943904 /nfs/dbraw/zinc/94/39/04/558943904.db2.gz DOVDKXITMWSIPZ-UHFFFAOYSA-N 0 0 421.526 2.822 40 0 HFABRN COCCOc1ccc(C(=O)N2CCC(c3cc4cccnc4c(=O)[nH]3)CC2)cc1 ZINC000019593652 558944632 /nfs/dbraw/zinc/94/46/32/558944632.db2.gz JFAAWERTSDAXGO-UHFFFAOYSA-N 0 0 407.470 2.968 40 0 HFABRN Cc1ccc(C)c(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCC[C@H](C)C4)[nH]c(=O)c32)c1 ZINC000040388943 558947453 /nfs/dbraw/zinc/94/74/53/558947453.db2.gz SDFAVGABCCOYIY-ZFWWWQNUSA-N 0 0 409.490 2.688 40 0 HFABRN Cc1nc2cc(NC(=O)CN(C)[C@@H]3CCS(=O)(=O)C3)ccc2n1C1CCCCC1 ZINC000019655228 558948620 /nfs/dbraw/zinc/94/86/20/558948620.db2.gz AOSICPPGPYVCPG-GOSISDBHSA-N 0 0 418.563 2.907 40 0 HFABRN Cc1ccc2ncnc(NCCC(=O)N3CCCN(Cc4ccccn4)CC3)c2c1 ZINC000019659587 558950932 /nfs/dbraw/zinc/95/09/32/558950932.db2.gz YHHODJCYNAZSAZ-UHFFFAOYSA-N 0 0 404.518 2.870 40 0 HFABRN Cc1cc(C)n(-c2ccc(C(=O)NC[C@@H](c3cccnc3)N3CCOCC3)cc2)n1 ZINC000019660031 558951228 /nfs/dbraw/zinc/95/12/28/558951228.db2.gz ZNICAXJWHMEGFH-QFIPXVFZSA-N 0 0 405.502 2.687 40 0 HFABRN Cc1ccccc1OC1CCN(C(=O)C[C@H]2NC(=O)N(c3ccccc3)C2=O)CC1 ZINC000019660260 558951414 /nfs/dbraw/zinc/95/14/14/558951414.db2.gz CMWMTPXXGXOQRW-LJQANCHMSA-N 0 0 407.470 2.880 40 0 HFABRN Cc1cccc(OC2CCN(C(=O)C[C@@H]3NC(=O)N(c4ccccc4)C3=O)CC2)c1 ZINC000019660337 558951571 /nfs/dbraw/zinc/95/15/71/558951571.db2.gz FEKNYCRALHESAS-FQEVSTJZSA-N 0 0 407.470 2.880 40 0 HFABRN CC(=O)N1CC[C@@H](c2c3ccccc3sc2C(=O)N2CCCN(C(C)=O)CC2)C1 ZINC000072356290 558953157 /nfs/dbraw/zinc/95/31/57/558953157.db2.gz RCXXGRIIYPHWCN-QGZVFWFLSA-N 0 0 413.543 2.932 40 0 HFABRN CCn1cc(-c2cc(C(=O)Nc3cccc(N4CCCCS4(=O)=O)c3)no2)cn1 ZINC000019665252 558955429 /nfs/dbraw/zinc/95/54/29/558955429.db2.gz CGDYBBBVLNVHQV-UHFFFAOYSA-N 0 0 415.475 2.740 40 0 HFABRN Cc1nc(CN(C)C(=O)COc2ccc(F)cc2)nc2c1CCC(=O)N2CC1CC1 ZINC000072370978 558957411 /nfs/dbraw/zinc/95/74/11/558957411.db2.gz SZTXIBKKYWYKDF-UHFFFAOYSA-N 0 0 412.465 2.651 40 0 HFABRN CC(C)c1ccc(OCCc2cc([C@@H]3CCN(S(=O)(=O)N(C)C)C3)[nH]n2)cc1 ZINC000072371325 558957936 /nfs/dbraw/zinc/95/79/36/558957936.db2.gz YBQOKKXUPFXWRT-QGZVFWFLSA-N 0 0 406.552 2.750 40 0 HFABRN COc1ccc(NC(=O)CN2CCC[C@H](c3ccc(-c4cnc(N)nc4)cn3)C2)cc1 ZINC000019688635 558958202 /nfs/dbraw/zinc/95/82/02/558958202.db2.gz WNQYWJJHOFJKRR-KRWDZBQOSA-N 0 0 418.501 2.948 40 0 HFABRN Cc1nonc1CC(=O)N1CCC[C@H](c2nc(N(C)C)ncc2-c2ccccc2F)C1 ZINC000019693943 558961869 /nfs/dbraw/zinc/96/18/69/558961869.db2.gz USUSJIWQXHXPAI-HNNXBMFYSA-N 0 0 424.480 2.989 40 0 HFABRN Cc1cc(Cc2ccccc2)cc([C@H]2CCN(C(=O)CCCN3C(=O)CNC3=O)C2)n1 ZINC000072374790 558962808 /nfs/dbraw/zinc/96/28/08/558962808.db2.gz NSFJULNJEYPATI-FQEVSTJZSA-N 0 0 420.513 2.629 40 0 HFABRN CN(C)c1ncc(-c2ccc(Cl)cc2)c([C@H]2CCCN(S(=O)(=O)N(C)C)C2)n1 ZINC000019694562 558963208 /nfs/dbraw/zinc/96/32/08/558963208.db2.gz LGBILTABQIRNHK-HNNXBMFYSA-N 0 0 423.970 2.849 40 0 HFABRN Cc1ccc(OCCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)cc1 ZINC000064691149 558965150 /nfs/dbraw/zinc/96/51/50/558965150.db2.gz JLYTVERRTANUBT-LJQANCHMSA-N 0 0 416.543 2.899 40 0 HFABRN COCCNC(=O)c1sc2ccccc2c1[C@H]1CN(C(=O)C(C)(C)OC)CCO1 ZINC000019697709 558965446 /nfs/dbraw/zinc/96/54/46/558965446.db2.gz QIVNHVICPFMIGY-OAHLLOKOSA-N 0 0 420.531 2.602 40 0 HFABRN O=C(NCCO)c1sc2ccccc2c1[C@H]1CN(C(=O)C2CCCC2)CCO1 ZINC000019697733 558965552 /nfs/dbraw/zinc/96/55/52/558965552.db2.gz COVQFFOFMBAQPG-MRXNPFEDSA-N 0 0 402.516 2.714 40 0 HFABRN Cc1nc(CN(C)C(=O)c2ccccn2)nc2c1CCC(=O)N2CCc1ccccc1 ZINC000019698553 558966219 /nfs/dbraw/zinc/96/62/19/558966219.db2.gz ZHEISTYCFSUEJC-UHFFFAOYSA-N 0 0 415.497 2.974 40 0 HFABRN CNc1cc([C@@H]2CC(=O)N(c3ccc(F)cc3)C2)nc(CN(C)C2CCOCC2)n1 ZINC000019700832 558967148 /nfs/dbraw/zinc/96/71/48/558967148.db2.gz VPUPMRCHPYKUOM-OAHLLOKOSA-N 0 0 413.497 2.789 40 0 HFABRN CC(=O)N1CCC(C(=O)N2CCC[C@@H](c3ccnc(Nc4ccc(C)cn4)n3)C2)CC1 ZINC000072378020 558967333 /nfs/dbraw/zinc/96/73/33/558967333.db2.gz LLFMRWMEZPZSHQ-LJQANCHMSA-N 0 0 422.533 2.888 40 0 HFABRN Cc1cc(C)n(C)c(=O)c1C(=O)N1CCC(c2ccc(C(=O)NCC3CC3)cn2)CC1 ZINC000019708307 558970608 /nfs/dbraw/zinc/97/06/08/558970608.db2.gz WVAKRHLZWOHGDN-UHFFFAOYSA-N 0 0 422.529 2.557 40 0 HFABRN CCc1nccn1[C@H](C)C(=O)N1CCC(c2ccc(C(=O)NCC3CC3)cn2)CC1 ZINC000019708420 558970821 /nfs/dbraw/zinc/97/08/21/558970821.db2.gz AAARUTPZKYTBRC-MRXNPFEDSA-N 0 0 409.534 2.948 40 0 HFABRN COc1ccc(OCC(=O)N2CCC([C@@H]3C[C@H](C(F)F)n4ncnc4N3)CC2)cc1 ZINC000072395636 558974543 /nfs/dbraw/zinc/97/45/43/558974543.db2.gz VAPRCLPQZACXPZ-DLBZAZTESA-N 0 0 421.448 2.595 40 0 HFABRN O=C(c1ccc2c(c1)OCCO2)N1CCC([C@@H]2C[C@H](C(F)F)n3ncnc3N2)CC1 ZINC000072395627 558974594 /nfs/dbraw/zinc/97/45/94/558974594.db2.gz UFABORHFEADWPR-LSDHHAIUSA-N 0 0 419.432 2.592 40 0 HFABRN Cc1ccc2c(n[nH]c2NC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(F)cc2)n1 ZINC000019714618 558974836 /nfs/dbraw/zinc/97/48/36/558974836.db2.gz SHOFBHQQUMQKLO-MRXNPFEDSA-N 0 0 417.466 2.587 40 0 HFABRN COc1ccc2c(c1)c(C[C@@H](C)NC(=O)Cn1cnc3sccc3c1=O)cn2C ZINC000019715416 558976273 /nfs/dbraw/zinc/97/62/73/558976273.db2.gz WODPFPIESPFZAJ-CYBMUJFWSA-N 0 0 410.499 2.706 40 0 HFABRN CC1CCC2(CC1)NC(=O)N(CC(=O)NCc1cccc(N3CCCCC3)c1)C2=O ZINC000019715353 558976297 /nfs/dbraw/zinc/97/62/97/558976297.db2.gz KCZPVZZENAQOBZ-UHFFFAOYSA-N 0 0 412.534 2.794 40 0 HFABRN O=C(CCN1C(=O)c2ccccc2S1(=O)=O)NCC1(c2ccccc2Cl)CC1 ZINC000019716072 558977499 /nfs/dbraw/zinc/97/74/99/558977499.db2.gz RAZIUDUPHWKRRD-UHFFFAOYSA-N 0 0 418.902 2.723 40 0 HFABRN CN(C)S(=O)(=O)c1ccc(CNC(=O)c2ccc(N3CCCCC3)cc2)cc1 ZINC000019716073 558977510 /nfs/dbraw/zinc/97/75/10/558977510.db2.gz LPBPLMQQYUVKEE-UHFFFAOYSA-N 0 0 401.532 2.857 40 0 HFABRN COc1ccc(-c2cc(C(=O)N3CCCN(Cc4ccccn4)CC3)nn2C)cc1 ZINC000019716158 558977757 /nfs/dbraw/zinc/97/77/57/558977757.db2.gz VGALXNALITUYNQ-UHFFFAOYSA-N 0 0 405.502 2.839 40 0 HFABRN CC(C)c1cc(C(=O)Nc2cccc(Cl)c2N2CCOCC2)nn2cnnc12 ZINC000019716302 558977944 /nfs/dbraw/zinc/97/79/44/558977944.db2.gz AVIBMXANRLXCPM-UHFFFAOYSA-N 0 0 400.870 2.990 40 0 HFABRN Cc1nn(C)c2nc(C)cc(C(=O)NC[C@@H](c3ccc(C)cc3)N3CCOCC3)c12 ZINC000019716313 558978156 /nfs/dbraw/zinc/97/81/56/558978156.db2.gz DNOVOMQIQSHAEF-FQEVSTJZSA-N 0 0 407.518 2.697 40 0 HFABRN Cc1ccccc1OC[C@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000065721670 558980637 /nfs/dbraw/zinc/98/06/37/558980637.db2.gz IQGSBYCBDFQYIX-RBUKOAKNSA-N 0 0 416.543 2.979 40 0 HFABRN Cc1cc(N)n(-c2ccc(C(=O)NC[C@@H](c3ccc(C)cc3)N3CCOCC3)cc2)n1 ZINC000019717872 558980918 /nfs/dbraw/zinc/98/09/18/558980918.db2.gz DDIMGGBBHNAECP-QFIPXVFZSA-N 0 0 419.529 2.875 40 0 HFABRN Cc1cc(C(=O)NCc2ccc(CN3CCCC3=O)cc2)nc(N2CCCCC2)n1 ZINC000019718858 558982360 /nfs/dbraw/zinc/98/23/60/558982360.db2.gz JWVRSZQVUHCYJX-UHFFFAOYSA-N 0 0 407.518 2.828 40 0 HFABRN CO[C@H]1CC[C@H](C(=O)N2CCC(c3cc4nc(N(C)C)ncc4c(=O)[nH]3)CC2)CC1 ZINC000257214945 558989979 /nfs/dbraw/zinc/98/99/79/558989979.db2.gz COBBYEXVMDSWNB-WKILWMFISA-N 0 0 413.522 2.708 40 0 HFABRN Cc1nc([C@H]2CC[C@H](CNC(=O)[C@H]3Cc4ccccc4CN3C)CC2)ccc1C(N)=O ZINC000257222715 558990839 /nfs/dbraw/zinc/99/08/39/558990839.db2.gz DUKURWOHCSXGNN-PMAPCBKXSA-N 0 0 420.557 2.936 40 0 HFABRN O=C(NC[C@H]1CC[C@H](C(=O)NCCN2CCc3ccccc32)CC1)C1CCOCC1 ZINC000257324095 559012314 /nfs/dbraw/zinc/01/23/14/559012314.db2.gz WNDVGTTXTSRLMN-KESTWPANSA-N 0 0 413.562 2.515 40 0 HFABRN O=C(Cc1ccccc1)N1CC[C@@]2(C1)CCc1nnc(C(=O)NC3CCCC3)n1CC2 ZINC000585107378 559027858 /nfs/dbraw/zinc/02/78/58/559027858.db2.gz UJQQMFZOAUPLPA-DEOSSOPVSA-N 0 0 421.545 2.748 40 0 HFABRN Cc1cc(C)cc(C(=O)N2CC[C@@]3(C2)CCc2nnc(C(=O)NCC4CC4)n2CC3)c1 ZINC000585106725 559029001 /nfs/dbraw/zinc/02/90/01/559029001.db2.gz GQBFXMBCIIUNAS-DEOSSOPVSA-N 0 0 421.545 2.904 40 0 HFABRN CN(C)c1ccc(C(=O)N2CCc3oc(C(=O)N4CCC(F)(F)CC4)nc3C2)cc1 ZINC000585111684 559030762 /nfs/dbraw/zinc/03/07/62/559030762.db2.gz FMCLERSAKIPHLH-UHFFFAOYSA-N 0 0 418.444 2.810 40 0 HFABRN O=C(NCCc1c[nH]c2ccccc12)[C@@H]1[C@H]2C=C[C@]3(CN(c4ccccc4)C(=O)[C@@H]13)O2 ZINC000015894249 559063985 /nfs/dbraw/zinc/06/39/85/559063985.db2.gz JYQUDPGXVRCCHZ-NMOFPLQQSA-N 0 0 413.477 2.813 40 0 biogenic HFABRN Cc1ccc(S(=O)(=O)N2CCC3(CN(c4ccc5c(c4)OCO5)C3=O)CC2)cc1 ZINC000096046501 559091932 /nfs/dbraw/zinc/09/19/32/559091932.db2.gz XGEMXVNMAMIHJT-UHFFFAOYSA-N 0 0 414.483 2.541 40 0 HFABRN CN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(C(=O)c1ccc3ncccc3c1)C2 ZINC000096050294 559092063 /nfs/dbraw/zinc/09/20/63/559092063.db2.gz JYZDXNGSZAAJIJ-XMMPIXPASA-N 0 0 418.472 2.937 40 0 HFABRN CC(=O)N1CC(=O)N(c2ccsc2)C[C@@]12CCN(C(=O)c1ccc(Cl)cc1)C2 ZINC000096050491 559092143 /nfs/dbraw/zinc/09/21/43/559092143.db2.gz ZXKGCQVQBRCTCC-FQEVSTJZSA-N 0 0 417.918 2.882 40 0 HFABRN O=C(C[C@@H]1CC2(CCN(C(=O)c3ccnnc3)CC2)Oc2ccccc21)NCC1CC1 ZINC000096053121 559092928 /nfs/dbraw/zinc/09/29/28/559092928.db2.gz DIXKZXBOSAKJAP-LJQANCHMSA-N 0 0 420.513 2.934 40 0 HFABRN CCS(=O)(=O)N1CCC2(CC1)C[C@@H](CC(=O)NCC1CC1)c1ccccc1O2 ZINC000096053134 559092957 /nfs/dbraw/zinc/09/29/57/559092957.db2.gz CVVNADWNGVMUCO-QGZVFWFLSA-N 0 0 406.548 2.653 40 0 HFABRN O=C(C[C@H]1CC2(CCN(S(=O)(=O)C3CC3)CC2)Oc2ccccc21)N1CCCC1 ZINC000096053238 559093176 /nfs/dbraw/zinc/09/31/76/559093176.db2.gz LAQULBMGRXUYBN-KRWDZBQOSA-N 0 0 418.559 2.892 40 0 HFABRN O=C(c1cscn1)N1CCC[C@]12CCCN(S(=O)(=O)Cc1ccccc1)C2 ZINC000096071360 559094325 /nfs/dbraw/zinc/09/43/25/559094325.db2.gz YHBWNRHYNRJKFO-IBGZPJMESA-N 0 0 405.545 2.744 40 0 HFABRN COCCN1[C@@]2(CCN(C(=O)CCC3CCCC3)C2)c2ccccc2S1(=O)=O ZINC000096143066 559095753 /nfs/dbraw/zinc/09/57/53/559095753.db2.gz CSENFEKJVKRKTP-OAQYLSRUSA-N 0 0 406.548 2.735 40 0 HFABRN Cc1nc(-c2cc(C(=O)N3CCN(C)CC3)c3ccccn23)cn1-c1ccccn1 ZINC000096154968 559099245 /nfs/dbraw/zinc/09/92/45/559099245.db2.gz MMUVLOSKKZNAJB-UHFFFAOYSA-N 0 0 400.486 2.883 40 0 HFABRN CC(=O)N1C[C@@H](c2ncn(C(C)C)n2)c2cc(C(=O)NCc3ccncc3)ccc21 ZINC000096156337 559100368 /nfs/dbraw/zinc/10/03/68/559100368.db2.gz PTKMHJAHYZYAJO-LJQANCHMSA-N 0 0 404.474 2.682 40 0 HFABRN COc1ccc(NC(=O)N2CC[C@@]3(C2)CN(c2cccc(F)c2)C(=O)CN3C)cc1 ZINC000096237977 559103300 /nfs/dbraw/zinc/10/33/00/559103300.db2.gz BDFKDZMLKUXZMJ-JOCHJYFZSA-N 0 0 412.465 2.789 40 0 HFABRN COc1cccc(S(=O)(=O)N2CC[C@]3(CC(=O)N(c4ccc(F)cc4)C3)C2)c1 ZINC000096238775 559103468 /nfs/dbraw/zinc/10/34/68/559103468.db2.gz HRQHZUHDRBCBAS-FQEVSTJZSA-N 0 0 404.463 2.652 40 0 HFABRN O=C(Nc1ccccc1)[C@@H]1CCS(=O)(=O)[C@@H]2CN(Cc3ccccc3F)C[C@@H]21 ZINC000096251070 559105165 /nfs/dbraw/zinc/10/51/65/559105165.db2.gz GJCNYAJHELFDRK-QWFCFKBJSA-N 0 0 402.491 2.700 40 0 HFABRN C[C@@H]1CN(C(=O)COc2ccccc2)CC[C@]12CC[C@H](C(=O)Nc1cccnc1)O2 ZINC000096261097 559106182 /nfs/dbraw/zinc/10/61/82/559106182.db2.gz UWCWVEQIGCQHQL-HCLVMJGWSA-N 0 0 409.486 2.885 40 0 HFABRN Cc1csc(Nc2ncnc3c2c(C(=O)N2CCN(C)CC2)c2ccccn23)n1 ZINC000096264404 559107520 /nfs/dbraw/zinc/10/75/20/559107520.db2.gz UNTZWDBLEHAFTI-UHFFFAOYSA-N 0 0 407.503 2.779 40 0 HFABRN COC(=O)CCC(=O)N1CCc2nc(C(=O)Nc3ccc(Cl)cc3)sc2CC1 ZINC000096264724 559107562 /nfs/dbraw/zinc/10/75/62/559107562.db2.gz CNRRZTCDLLUGJK-UHFFFAOYSA-N 0 0 421.906 2.929 40 0 HFABRN CS(=O)(=O)N1C[C@H](c2nnc[nH]2)c2cc(C(=O)Nc3ccc(Cl)cc3)ccc21 ZINC000096267794 559108385 /nfs/dbraw/zinc/10/83/85/559108385.db2.gz OFVUKLMCVAEFBR-HNNXBMFYSA-N 0 0 417.878 2.622 40 0 HFABRN NC(=O)C[C@]1(COc2ccc(F)cc2)CN(C(=O)c2ccc(Cl)cc2)CCO1 ZINC000585284450 559121193 /nfs/dbraw/zinc/12/11/93/559121193.db2.gz SIJYRLVVDKTYCI-HXUWFJFHSA-N 0 0 406.841 2.645 40 0 HFABRN NC(=O)C[C@]1(COc2ccc(Cl)cc2)CN(C(=O)Cc2ccc(F)cc2)CCO1 ZINC000585286291 559121956 /nfs/dbraw/zinc/12/19/56/559121956.db2.gz NUEBUEXKPXBLGK-OAQYLSRUSA-N 0 0 420.868 2.574 40 0 HFABRN Cc1[n-]n(-c2nc3ccccc3[nH]2)c(=O)c1[C@@H]1CC(=O)N(c2ccc(F)cc2)C1=O ZINC000100069071 559129422 /nfs/dbraw/zinc/12/94/22/559129422.db2.gz INZOVSOKGFMSLB-AWEZNQCLSA-N 0 0 405.389 2.949 40 0 HFABRN CCOC(=O)[C@]1(Cc2ccccc2)N[C@@H](c2ccccc2C)[C@H]2C(=O)N(CC)C(=O)[C@H]21 ZINC000100427872 559135206 /nfs/dbraw/zinc/13/52/06/559135206.db2.gz OSEWGOBECXGGEX-AIFLQVKLSA-N 0 0 420.509 2.805 40 0 HFABRN COCCN1C(=O)[C@H]2[C@H]3C=C(C)c4ccccc4N3[C@@H](C(=O)c3ccccc3)[C@@H]2C1=O ZINC000103462321 559155963 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CN(c1ccc(Cl)c(C(=O)NCc2nc(-c3ccccc3)no2)c1)S(C)(=O)=O ZINC000222506211 568517010 /nfs/dbraw/zinc/51/70/10/568517010.db2.gz SHLVSGRFFDITGF-UHFFFAOYSA-N 0 0 420.878 2.716 40 0 HFABRN COc1cccc(N(CCCC(=O)Nc2cc(OC)ccc2OC)S(C)(=O)=O)c1 ZINC000222588176 568519454 /nfs/dbraw/zinc/51/94/54/568519454.db2.gz LNKAOGCCBPAEPI-UHFFFAOYSA-N 0 0 422.503 2.897 40 0 HFABRN COc1ccc(N(CCCC(=O)Nc2cc(OC)ccc2OC)S(C)(=O)=O)cc1 ZINC000222598851 568519960 /nfs/dbraw/zinc/51/99/60/568519960.db2.gz FNNXWEPBFJUCQA-UHFFFAOYSA-N 0 0 422.503 2.897 40 0 HFABRN CCN(c1ccc(C(=O)n2cc(C(=O)OC)c3ccccc32)cc1)S(C)(=O)=O ZINC000222609386 568520528 /nfs/dbraw/zinc/52/05/28/568520528.db2.gz RJLQXRXLMMMEBI-UHFFFAOYSA-N 0 0 400.456 2.902 40 0 HFABRN CCOC(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)CC)CC2)cc1Cl ZINC000222622550 568521125 /nfs/dbraw/zinc/52/11/25/568521125.db2.gz KNNGSFMHZOVATG-UHFFFAOYSA-N 0 0 402.900 2.517 40 0 HFABRN COc1cccc(N(C)C(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc2)c1 ZINC000222640686 568521940 /nfs/dbraw/zinc/52/19/40/568521940.db2.gz RCRSHNHPJNRXHT-UHFFFAOYSA-N 0 0 404.488 2.522 40 0 HFABRN COC(=O)c1cn(S(=O)(=O)c2ccc(OC)c(NC(C)=O)c2)c2ccccc12 ZINC000222643589 568521941 /nfs/dbraw/zinc/52/19/41/568521941.db2.gz AEOASZUMJBWKBY-UHFFFAOYSA-N 0 0 402.428 2.632 40 0 HFABRN CCc1ccc(N(CCCC(=O)NCc2ccc3c(c2)OCO3)S(C)(=O)=O)cc1 ZINC000222644562 568522034 /nfs/dbraw/zinc/52/20/34/568522034.db2.gz BROFPVGJFMACSM-UHFFFAOYSA-N 0 0 418.515 2.840 40 0 HFABRN O=C(COc1ccc(S(=O)(=O)NC2CCCC2)cc1)N1CCOc2ccccc21 ZINC000222648973 568522206 /nfs/dbraw/zinc/52/22/06/568522206.db2.gz BBZUCKOUTQZFSB-UHFFFAOYSA-N 0 0 416.499 2.712 40 0 HFABRN Cc1ccc(CSCCNC(=O)CN(Cc2ccccc2F)S(C)(=O)=O)cc1 ZINC000222678553 568523397 /nfs/dbraw/zinc/52/33/97/568523397.db2.gz OBLWTORQYSXAHB-UHFFFAOYSA-N 0 0 424.563 2.945 40 0 HFABRN CCCCNS(=O)(=O)c1ccc(OCC(=O)N(C)c2ccc(OC)cc2)cc1 ZINC000222723540 568524809 /nfs/dbraw/zinc/52/48/09/568524809.db2.gz LOHIEJWFWWLRGK-UHFFFAOYSA-N 0 0 406.504 2.815 40 0 HFABRN C[C@@H](NC(=O)[C@@H](C)N(c1cccc(F)c1)S(C)(=O)=O)c1ccc2c(c1)OCCO2 ZINC000222725715 568524817 /nfs/dbraw/zinc/52/48/17/568524817.db2.gz PJSICUVVBRBNPZ-ZIAGYGMSSA-N 0 0 422.478 2.629 40 0 HFABRN CN1CCN(S(=O)(=O)c2cccc(C(=O)NCc3cccc4ccccc43)c2)CC1 ZINC000222880643 568529429 /nfs/dbraw/zinc/52/94/29/568529429.db2.gz RCGSHSUCOXCXQE-UHFFFAOYSA-N 0 0 423.538 2.706 40 0 HFABRN CCSc1nnc(NC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)s1 ZINC000222901286 568530185 /nfs/dbraw/zinc/53/01/85/568530185.db2.gz CXXGGUGNOXRLQT-UHFFFAOYSA-N 0 0 406.942 2.708 40 0 HFABRN CSc1ccc(S(=O)(=O)N(C)CC(=O)NCCSC2CCCC2)cc1 ZINC000222920226 568530901 /nfs/dbraw/zinc/53/09/01/568530901.db2.gz RRRQXNRWNLQKIH-UHFFFAOYSA-N 0 0 402.607 2.821 40 0 HFABRN CCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)Cc1ccc(OC)c(OC)c1 ZINC000222957904 568532291 /nfs/dbraw/zinc/53/22/91/568532291.db2.gz QNQSFUYQTBEKSD-INIZCTEOSA-N 0 0 414.502 2.808 40 0 HFABRN COc1ccc(OC)c(S(=O)(=O)N(C)Cc2cc(OC)c(OC)c(OC)c2)c1 ZINC000222975912 568532873 /nfs/dbraw/zinc/53/28/73/568532873.db2.gz CAWVGWQDGISMAX-UHFFFAOYSA-N 0 0 411.476 2.550 40 0 HFABRN COc1ccc(CN(C(=O)Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NCCCO)cc1 ZINC000222995775 568533738 /nfs/dbraw/zinc/53/37/38/568533738.db2.gz DXOMVEVGXOZMOO-INIZCTEOSA-N 0 0 418.921 2.807 40 0 HFABRN CCc1ccc(CC)c(CNC(=O)CN(c2ccc3c(c2)OCO3)S(C)(=O)=O)c1 ZINC000222999879 568533864 /nfs/dbraw/zinc/53/38/64/568533864.db2.gz ZMIILNSWCUINRH-UHFFFAOYSA-N 0 0 418.515 2.623 40 0 HFABRN COC(=O)c1cc2cc(NC(=O)c3ccc(OC)c(S(N)(=O)=O)c3)ccc2s1 ZINC000223040294 568535233 /nfs/dbraw/zinc/53/52/33/568535233.db2.gz GDKZJTULXSHLCH-UHFFFAOYSA-N 0 0 420.468 2.596 40 0 HFABRN CNS(=O)(=O)c1ccc(CCC(=O)Nc2cc(-c3cccc(F)c3)[nH]n2)cc1 ZINC000223043316 568535360 /nfs/dbraw/zinc/53/53/60/568535360.db2.gz CGAPBAIZMARCTF-UHFFFAOYSA-N 0 0 402.451 2.695 40 0 HFABRN COc1ccccc1CN(C)C(=O)[C@@H](C)N(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000223043400 568535365 /nfs/dbraw/zinc/53/53/65/568535365.db2.gz WFHMTFURYXWBII-CYBMUJFWSA-N 0 0 412.458 2.787 40 0 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ZINC000223175782 568540067 /nfs/dbraw/zinc/54/00/67/568540067.db2.gz BLRSCJMPKFHWKT-HNNXBMFYSA-N 0 0 402.516 2.827 40 0 HFABRN CCN(c1ccc(C(=O)NCC2(c3ccccc3)CCOCC2)cc1)S(C)(=O)=O ZINC000223215361 568541277 /nfs/dbraw/zinc/54/12/77/568541277.db2.gz PQSNUXMGTOYKJN-UHFFFAOYSA-N 0 0 416.543 2.951 40 0 HFABRN COc1ccc(CN(C)S(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)cc1 ZINC000223578189 568552162 /nfs/dbraw/zinc/55/21/62/568552162.db2.gz DJMMDWWPPBAEIJ-UHFFFAOYSA-N 0 0 400.500 2.815 40 0 HFABRN CCOc1ccc(-c2noc(CNS(=O)(=O)c3ccc(OC)c(OC)c3)n2)cc1 ZINC000223582706 568552416 /nfs/dbraw/zinc/55/24/16/568552416.db2.gz FCNKOSGOOSJIHR-UHFFFAOYSA-N 0 0 419.459 2.631 40 0 HFABRN COc1ccc([C@@H](C)NC(=O)CN(Cc2ccccc2Cl)S(C)(=O)=O)cc1 ZINC000223591482 568552569 /nfs/dbraw/zinc/55/25/69/568552569.db2.gz FPOLLTHUEPEIBJ-CQSZACIVSA-N 0 0 410.923 2.988 40 0 HFABRN CCOc1ccc(-c2noc(CNS(=O)(=O)c3ccc(OC)c(F)c3)n2)cc1 ZINC000223601279 568552964 /nfs/dbraw/zinc/55/29/64/568552964.db2.gz DYXLTGYVPIYSNK-UHFFFAOYSA-N 0 0 407.423 2.762 40 0 HFABRN COC(=O)c1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2CCO)cc1 ZINC000223600620 568552991 /nfs/dbraw/zinc/55/29/91/568552991.db2.gz PJJXYEBGAPZTTN-PMACEKPBSA-N 0 0 422.510 2.624 40 0 HFABRN Cc1ccc(OCCNC(=O)CN(c2cc(C)cc(C)c2)S(C)(=O)=O)c(C)c1 ZINC000223626635 568553853 /nfs/dbraw/zinc/55/38/53/568553853.db2.gz ZJXXARRKMSLLEM-UHFFFAOYSA-N 0 0 404.532 2.881 40 0 HFABRN COC(=O)c1ccc(CS(=O)(=O)NCc2nc(-c3cccc(Cl)c3)no2)cc1 ZINC000223637598 568554311 /nfs/dbraw/zinc/55/43/11/568554311.db2.gz KZWXUIYIPDXXLB-UHFFFAOYSA-N 0 0 421.862 2.796 40 0 HFABRN CS(=O)(=O)N(CC(=O)NCCOc1ccccc1Cl)c1ccc(Cl)cc1 ZINC000223637726 568554351 /nfs/dbraw/zinc/55/43/51/568554351.db2.gz KHXNLARASLYSGM-UHFFFAOYSA-N 0 0 417.314 2.955 40 0 HFABRN CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1cccnc1 ZINC000223640207 568554605 /nfs/dbraw/zinc/55/46/05/568554605.db2.gz JJOHEISLXVLGBV-PMACEKPBSA-N 0 0 407.499 2.803 40 0 HFABRN CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1Cc1cccnc1 ZINC000223646084 568554677 /nfs/dbraw/zinc/55/46/77/568554677.db2.gz VIIWHNURRRWUPE-SFTDATJTSA-N 0 0 421.526 2.862 40 0 HFABRN COc1ccc(N(CC(=O)NC(C)(C)CC(C)(C)C)S(C)(=O)=O)c(OC)c1 ZINC000223654136 568555009 /nfs/dbraw/zinc/55/50/09/568555009.db2.gz WYQWRXJEMCVHHG-UHFFFAOYSA-N 0 0 400.541 2.801 40 0 HFABRN CCCC[C@H](CC)CNC(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O ZINC000223659129 568555242 /nfs/dbraw/zinc/55/52/42/568555242.db2.gz ICZRMSFMFWCNMB-HNNXBMFYSA-N 0 0 400.541 2.802 40 0 HFABRN COc1ccc(N(CC(=O)NC(C)(C)CC(C)(C)C)S(C)(=O)=O)cc1OC ZINC000223658821 568555300 /nfs/dbraw/zinc/55/53/00/568555300.db2.gz LPRCPSZDGLAKQM-UHFFFAOYSA-N 0 0 400.541 2.801 40 0 HFABRN Cc1cc(Cl)ccc1N(CC(=O)NCCOc1ccc(F)cc1)S(C)(=O)=O ZINC000223677685 568555839 /nfs/dbraw/zinc/55/58/39/568555839.db2.gz MEIASZZUPZQMSA-UHFFFAOYSA-N 0 0 414.886 2.749 40 0 HFABRN COCCn1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)OC)c1C ZINC000223686343 568556229 /nfs/dbraw/zinc/55/62/29/568556229.db2.gz SESDZBUYYAIAAG-PMACEKPBSA-N 0 0 416.547 2.682 40 0 HFABRN COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1Cc1ccccn1 ZINC000223700716 568556614 /nfs/dbraw/zinc/55/66/14/568556614.db2.gz VSQFPMQGMDBVQZ-LEWJYISDSA-N 0 0 421.526 2.862 40 0 HFABRN CCN(Cc1nc(-c2cccs2)no1)S(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000223767022 568558520 /nfs/dbraw/zinc/55/85/20/568558520.db2.gz PHMJQCGGOWJVJX-UHFFFAOYSA-N 0 0 406.489 2.967 40 0 HFABRN CCOC(=O)c1cccc(NC(=O)CN(Cc2ccccc2Cl)S(C)(=O)=O)c1 ZINC000223769892 568558630 /nfs/dbraw/zinc/55/86/30/568558630.db2.gz MNOLTYHHDYHGON-UHFFFAOYSA-N 0 0 424.906 2.917 40 0 HFABRN COc1ccc(OC)c(S(=O)(=O)NCc2nc(-c3ccccc3Cl)no2)c1 ZINC000223779307 568558818 /nfs/dbraw/zinc/55/88/18/568558818.db2.gz SAMRWQBLNQMMES-UHFFFAOYSA-N 0 0 409.851 2.886 40 0 HFABRN COc1cccc(-c2noc(CN(C)S(=O)(=O)c3cc(OC)ccc3OC)n2)c1 ZINC000223780122 568558878 /nfs/dbraw/zinc/55/88/78/568558878.db2.gz WIAZKGRAGLISIM-UHFFFAOYSA-N 0 0 419.459 2.583 40 0 HFABRN COC(=O)c1ccc(C)c(S(=O)(=O)NCc2nc(-c3ccc(C)cc3)no2)c1 ZINC000223911121 568562689 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568789021 /nfs/dbraw/zinc/78/90/21/568789021.db2.gz IRPBBBRCMKUVSH-FQEVSTJZSA-N 0 0 403.433 2.616 40 0 HFABRN CCCn1cc(Cl)c(C(=O)N2CC[C@H](Oc3ccc(F)cc3)[C@@H](CC(N)=O)C2)n1 ZINC000257253799 568791273 /nfs/dbraw/zinc/79/12/73/568791273.db2.gz KAIPJPRTEZBNNN-GUYCJALGSA-N 0 0 422.888 2.871 40 0 HFABRN O=C([O-])COc1ccccc1C[N@@H+]1CCC[C@H](Cc2cncc(-c3ncc[nH]3)n2)C1 ZINC000257259556 568792725 /nfs/dbraw/zinc/79/27/25/568792725.db2.gz KYXGWUYJNJEJOY-MRXNPFEDSA-N 0 0 407.474 2.785 40 0 HFABRN CNC(=O)[C@]1(c2ccccn2)CCCN(C(=O)c2ccccc2C[NH+]2CCCC2)C1 ZINC000257266880 568794677 /nfs/dbraw/zinc/79/46/77/568794677.db2.gz MEZFSBWZNRFXKD-XMMPIXPASA-N 0 0 406.530 2.597 40 0 HFABRN Cc1nc([C@@H]2CCN(C(=O)Cc3cccc(F)c3)C2)nc(C)c1CC(=O)NC1CC1 ZINC000257279554 568798284 /nfs/dbraw/zinc/79/82/84/568798284.db2.gz OHFBVUICGRXEMM-QGZVFWFLSA-N 0 0 410.493 2.612 40 0 HFABRN Cc1nccn1[C@@H]1CC[C@@H](N(C)C(=O)c2ccc3[nH]c(C(F)(F)F)nc3c2)[C@H]1O ZINC000257292163 568802221 /nfs/dbraw/zinc/80/22/21/568802221.db2.gz QKGPHOQVBCLRBO-BZUAXINKSA-N 0 0 407.396 2.923 40 0 HFABRN O=C(Cn1cccnc1=O)N1CCC[C@H](c2ncc(Cc3ccc(Cl)cc3)o2)C1 ZINC000257302681 568805266 /nfs/dbraw/zinc/80/52/66/568805266.db2.gz SDVNOGZVRCCJGV-INIZCTEOSA-N 0 0 412.877 2.882 40 0 HFABRN COc1ccc(C)cc1NC(=O)CN1CC[C@H](Oc2cccc(F)c2)[C@@](C)(O)C1 ZINC000257302768 568805275 /nfs/dbraw/zinc/80/52/75/568805275.db2.gz SEHAENBJAGZDPD-UNMCSNQZSA-N 0 0 402.466 2.986 40 0 HFABRN NC(=O)c1cccc(-c2cccc([C@H]3CN(C(=O)Cc4ccccc4)CCO3)n2)c1 ZINC000257305461 568806154 /nfs/dbraw/zinc/80/61/54/568806154.db2.gz SQCZZCNUGPSICN-JOCHJYFZSA-N 0 0 401.466 2.990 40 0 HFABRN Cc1ncc(C(=O)N2CCO[C@H](c3ccc(Nc4ccc(F)cn4)cn3)C2)c(C)n1 ZINC000257308072 568807009 /nfs/dbraw/zinc/80/70/09/568807009.db2.gz TVHPWNONLGBAFZ-IBGZPJMESA-N 0 0 408.437 2.980 40 0 HFABRN Cc1ccnn1CCC(=O)N1CCC[C@@](COc2cccc(Cl)c2)(CC(N)=O)C1 ZINC000257312155 568807875 /nfs/dbraw/zinc/80/78/75/568807875.db2.gz UMROPSYTDMXVBH-OAQYLSRUSA-N 0 0 418.925 2.798 40 0 HFABRN Cn1c(CNC(=O)CN2CCC[C@H]2c2cccc(-n3ccnc3)n2)nc2ccccc21 ZINC000257318163 568809749 /nfs/dbraw/zinc/80/97/49/568809749.db2.gz VMSXAFGKLKWHCZ-FQEVSTJZSA-N 0 0 415.501 2.607 40 0 HFABRN CN1CCN(C(=O)C[C@@]2(COc3ccccc3)CCCN(C(=O)C(C)(C)C)C2)CC1 ZINC000257321400 568810881 /nfs/dbraw/zinc/81/08/81/568810881.db2.gz WBMYDSXJLIWZFE-DEOSSOPVSA-N 0 0 415.578 2.884 40 0 HFABRN NC(=O)[C@H]1CCCN(C(=O)C2(Cc3cccc(-c4ccncc4)c3)CCOCC2)C1 ZINC000257323199 568811230 /nfs/dbraw/zinc/81/12/30/568811230.db2.gz WJDLMTUDAXYPAG-NRFANRHFSA-N 0 0 407.514 2.812 40 0 HFABRN Cn1ccc(NC(=O)CN2[C@H](c3ccc(F)cc3)C[C@]3(C)NC(=O)CCCC[C@H]23)n1 ZINC000257330051 568813232 /nfs/dbraw/zinc/81/32/32/568813232.db2.gz XMONPYJZXNOIDG-SPEDKVCISA-N 0 0 413.497 2.762 40 0 HFABRN Cn1nccc1CN1CCO[C@@H](c2cc(CCOc3ccc(Cl)cc3)n[nH]2)C1 ZINC000257334991 568814582 /nfs/dbraw/zinc/81/45/82/568814582.db2.gz YIEKGUGSKMXDPU-HXUWFJFHSA-N 0 0 401.898 2.992 40 0 HFABRN Cc1nnc(Nc2cccc([C@@H]3CN(C(=O)COc4ccccc4)CCO3)n2)s1 ZINC000257340633 568816148 /nfs/dbraw/zinc/81/61/48/568816148.db2.gz ZGYZURPYUNSTAT-KRWDZBQOSA-N 0 0 411.487 2.964 40 0 HFABRN CC(C)(C)C(=O)N1CCC(Cc2cc(N3CC4(CCOCC4)OC3=O)ncn2)CC1 ZINC000257342515 568816749 /nfs/dbraw/zinc/81/67/49/568816749.db2.gz ZPAHZLHWLPWWOQ-UHFFFAOYSA-N 0 0 416.522 2.810 40 0 HFABRN COc1ccc(-c2nnc3n(c2=O)CC[C@]32CCN(C(=O)c3ccc(C)cc3)C2)cc1 ZINC000306125136 568887996 /nfs/dbraw/zinc/88/79/96/568887996.db2.gz CHYVTIVQBNDMTB-DEOSSOPVSA-N 0 0 416.481 2.810 40 0 HFABRN CC(C)n1cnc([C@@H]2CN(C(=O)c3ccncc3)C[C@]23CCN(CC2CC2)C3=O)c1 ZINC000306126368 568889209 /nfs/dbraw/zinc/88/92/09/568889209.db2.gz DTONCOPZYYSNFR-WMZHIEFXSA-N 0 0 407.518 2.727 40 0 HFABRN Cc1cc(C(=O)N2C[C@@H]3Cc4nnc(C(=O)Nc5ccccc5)n4C[C@@H]3C2)c(C)o1 ZINC000306126927 568889726 /nfs/dbraw/zinc/88/97/26/568889726.db2.gz FJHXCVALMGNQIL-HOTGVXAUSA-N 0 0 405.458 2.685 40 0 HFABRN Cc1nn(C)c(C)c1CN1CCO[C@@]2(CCCC[C@@H]2NC(=O)Cc2cccs2)C1 ZINC000306127428 568890378 /nfs/dbraw/zinc/89/03/78/568890378.db2.gz FYLZZDWVMZNSOW-UNMCSNQZSA-N 0 0 416.591 2.971 40 0 HFABRN CCCn1c2nnc(SCC(=O)NCc3ccccc3)n2c2ccccc2c1=O ZINC000003375733 568891293 /nfs/dbraw/zinc/89/12/93/568891293.db2.gz PXDGCWYFPDQSDG-UHFFFAOYSA-N 0 0 407.499 2.863 40 0 HFABRN COc1ccccc1-c1ccc2c([C@@H]3CN(Cc4cnn(C)c4)CCN3C)nnn2c1 ZINC000306128901 568891597 /nfs/dbraw/zinc/89/15/97/568891597.db2.gz HNYNTOZVHKIEIK-NRFANRHFSA-N 0 0 417.517 2.627 40 0 HFABRN Cc1cnc(C(=O)N2CCO[C@@H](c3nnn4cc(-c5ccccc5)ccc34)C2)cn1 ZINC000306133492 568895670 /nfs/dbraw/zinc/89/56/70/568895670.db2.gz MNGBTKUYSZLATC-HXUWFJFHSA-N 0 0 400.442 2.708 40 0 HFABRN COc1ccc(-c2nnc3n(c2=O)CC[C@@]32CCN(C(=O)c3cccc(C)c3)C2)cc1 ZINC000306136440 568898122 /nfs/dbraw/zinc/89/81/22/568898122.db2.gz PTNQPERHOIUMQW-XMMPIXPASA-N 0 0 416.481 2.810 40 0 HFABRN Cc1ccc(SCC(=O)N2C[C@@]3(F)C(=O)N(c4ccccn4)C[C@@]3(F)C2)cc1 ZINC000306138217 568900112 /nfs/dbraw/zinc/90/01/12/568900112.db2.gz RSMUGVMYBPBUHN-VQTJNVASSA-N 0 0 403.454 2.788 40 0 HFABRN O=C(CCc1ccccc1)N1CC[C@@H](c2nc3ccc(N4CCOCC4)cn3n2)C1 ZINC000306138588 568900428 /nfs/dbraw/zinc/90/04/28/568900428.db2.gz SBDHNQRVMKSWBA-LJQANCHMSA-N 0 0 405.502 2.515 40 0 HFABRN O=C(Cc1ccsc1)N1CCO[C@H](c2nnn3cc(-c4ccncc4)ccc23)C1 ZINC000306139327 568901077 /nfs/dbraw/zinc/90/10/77/568901077.db2.gz SUSLEVPAXMSNJX-IBGZPJMESA-N 0 0 405.483 2.995 40 0 HFABRN COc1ccccc1CN1C[C@H]2c3cc(-c4cnn(C)c4)ccc3S(=O)(=O)[C@@H]2C1 ZINC000306139711 568901677 /nfs/dbraw/zinc/90/16/77/568901677.db2.gz TYDBTNTYGVKDNL-SIKLNZKXSA-N 0 0 409.511 2.851 40 0 HFABRN COc1ncccc1-c1ccc2c(c1)[C@H]1CN(Cc3ccncc3)C[C@@H]1S2(=O)=O ZINC000306142157 568903773 /nfs/dbraw/zinc/90/37/73/568903773.db2.gz WRQCDFZSJRLFIT-CTNGQTDRSA-N 0 0 407.495 2.908 40 0 HFABRN CC(C)n1cc(CN2C[C@H]3c4cc(-c5cnn(C)c5)ccc4S(=O)(=O)[C@@H]3C2)cn1 ZINC000306144190 568905583 /nfs/dbraw/zinc/90/55/83/568905583.db2.gz YYOFFFHKSJEEFF-PZJWPPBQSA-N 0 0 411.531 2.620 40 0 HFABRN Cc1ccsc1C(=O)N1C[C@@H]2Cc3nnc(C(=O)Nc4ccccc4)n3C[C@@H]2C1 ZINC000306144420 568905813 /nfs/dbraw/zinc/90/58/13/568905813.db2.gz ZEPVNILRKQFHGR-GJZGRUSLSA-N 0 0 407.499 2.845 40 0 HFABRN Cc1nc(C(=O)N2C[C@H]3c4cc(-c5ccncc5)ccc4S(=O)(=O)[C@@H]3C2)cs1 ZINC000306144602 568906132 /nfs/dbraw/zinc/90/61/32/568906132.db2.gz ZJYIYDHTJSBBKG-QFBILLFUSA-N 0 0 411.508 2.909 40 0 HFABRN COc1ccc(-c2nnc3n(c2=O)CC[C@]32CCN(C(=O)c3ccccc3C)C2)cc1 ZINC000306144805 568906299 /nfs/dbraw/zinc/90/62/99/568906299.db2.gz ZPBDWLILAYCVSM-DEOSSOPVSA-N 0 0 416.481 2.810 40 0 HFABRN CCOC[C@]1(N)[C@@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218185108 568927653 /nfs/dbraw/zinc/92/76/53/568927653.db2.gz VUQCLWYTWIYGGI-FHWLQOOXSA-N 0 0 409.891 2.742 40 0 HFABRN COc1ccc([C@@H]2c3c(-c4cccs4)n[nH]c(=O)c3Nc3nnnn32)c(OC)c1 ZINC000010297735 568940954 /nfs/dbraw/zinc/94/09/54/568940954.db2.gz LBOSDEFHZDAZJC-MRXNPFEDSA-N 0 0 409.431 2.609 40 0 HFABRN CCOc1cc([C@@H]2c3c(-c4cccs4)n[nH]c(=O)c3Nc3nnnn32)ccc1O ZINC000010297759 568940992 /nfs/dbraw/zinc/94/09/92/568940992.db2.gz YGQGKKAVKQNQRR-MRXNPFEDSA-N 0 0 409.431 2.696 40 0 HFABRN C[C@H](CO)Nc1nc(NCc2ccco2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329030354 568973701 /nfs/dbraw/zinc/97/37/01/568973701.db2.gz QDKQAMLLRSWBPI-GFCCVEGCSA-N 0 0 408.380 2.884 40 0 HFABRN C[C@@H](CO)Nc1nc(Nc2cccc(Br)c2)cc(-c2ccccn2)n1 ZINC000329043657 568974389 /nfs/dbraw/zinc/97/43/89/568974389.db2.gz STHOXLVAMNABHG-LBPRGKRZSA-N 0 0 400.280 2.681 40 0 HFABRN OCCCNc1nc(Nc2ccc(F)cc2Br)cc(-c2ccncc2)n1 ZINC000329067293 568975559 /nfs/dbraw/zinc/97/55/59/568975559.db2.gz YHLKIHNARPSTOT-UHFFFAOYSA-N 0 0 418.270 2.822 40 0 HFABRN O=S(=O)(c1ccc(Cl)c(Cl)c1)N(Cc1ccco1)[C@H]1CCS(=O)(=O)C1 ZINC000575424015 569026518 /nfs/dbraw/zinc/02/65/18/569026518.db2.gz IZCAEQHRPBWLDL-NSHDSACASA-N 0 0 424.327 2.964 40 0 HFABRN Cc1cn2c3c(nc2n1-c1ccccc1O)n(C)c(=O)n(Cc1ccccc1C)c3=O ZINC000010103772 569052012 /nfs/dbraw/zinc/05/20/12/569052012.db2.gz MBKWRKQWWBJVNO-UHFFFAOYSA-N 0 0 415.453 2.509 40 0 HFABRN CCOC(=O)[C@]1(C)N[C@H](c2cccs2)[C@@H]2C(=O)N(c3cccc(OC)c3)C(=O)[C@@H]21 ZINC000231431252 569288519 /nfs/dbraw/zinc/28/85/19/569288519.db2.gz LTPNJGCWDGTTOP-BZLDKRAPSA-N 0 0 414.483 2.529 40 0 HFABRN CCOC(=O)[C@]1(C)N[C@H](c2cccs2)[C@@H]2C(=O)N(c3cccc(OC)c3)C(=O)[C@H]21 ZINC000245230115 569313812 /nfs/dbraw/zinc/31/38/12/569313812.db2.gz LTPNJGCWDGTTOP-KYFSNAEOSA-N 0 0 414.483 2.529 40 0 HFABRN Cc1ccc2c(c1)N[C@]1(CCC(=O)N([C@@H](C)C(=O)N3CCC[C@@H](C)C3)CC1)NC2=O ZINC000248337282 569316761 /nfs/dbraw/zinc/31/67/61/569316761.db2.gz PUKBQHNKFFAEQX-SAHWJRBASA-N 0 0 412.534 2.506 40 0 HFABRN CCN1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)N[C@@H](c2ccncc2)c2ccc(C)c(C)c2)[C@H]3C1=O ZINC000249690711 569316891 /nfs/dbraw/zinc/31/68/91/569316891.db2.gz KMYBSOMULUGOHA-LHCSWSIBSA-N 0 0 417.509 2.706 40 0 HFABRN Cn1c2ccccc2c2c1c(=O)n(C)cc2C(=O)NC[C@@H]1COc2ccccc2O1 ZINC000002465457 569320544 /nfs/dbraw/zinc/32/05/44/569320544.db2.gz PUKJDVOACNRCAV-CQSZACIVSA-N 0 0 403.438 2.600 40 0 HFABRN COc1ccc(C(O)=C2[C@@H](c3ccc(O)cc3)NC(=O)N[C@@]2(O)C(F)(F)F)cc1 ZINC000013427034 569326743 /nfs/dbraw/zinc/32/67/43/569326743.db2.gz GXUUTOPJQGIEKX-RKVPGOIHSA-N 0 0 410.348 2.505 40 0 HFABRN COc1ccccc1[C@H](c1nnnn1C(C)(C)C)N1CCN(Cc2ccncc2)CC1 ZINC000020139569 569326956 /nfs/dbraw/zinc/32/69/56/569326956.db2.gz JGYZDKDCKPRYSN-OAQYLSRUSA-N 0 0 421.549 2.739 40 0 HFABRN COc1ccc(/C=C/C(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 ZINC000003517537 569328201 /nfs/dbraw/zinc/32/82/01/569328201.db2.gz ZNHKXZHAUNVHHN-KPKJPENVSA-N 0 0 400.500 2.550 40 0 HFABRN COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NC(C)C)cc1C ZINC000006202960 569329717 /nfs/dbraw/zinc/32/97/17/569329717.db2.gz VIGKPCMNZGRUOD-UHFFFAOYSA-N 0 0 404.532 2.762 40 0 HFABRN COC(=O)c1cc(NC(=O)[C@@H](C)N(c2ccccc2)S(C)(=O)=O)ccc1Cl ZINC000006455507 569332566 /nfs/dbraw/zinc/33/25/66/569332566.db2.gz YWFWVBAQJGVFMD-GFCCVEGCSA-N 0 0 410.879 2.920 40 0 HFABRN COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc(C)c(Cl)c2)cc1OC ZINC000006503832 569333146 /nfs/dbraw/zinc/33/31/46/569333146.db2.gz DORCTTSCAORYFE-LBPRGKRZSA-N 0 0 412.895 2.971 40 0 HFABRN CCCNS(=O)(=O)c1ccc(CCC(=O)N2CCN(c3ccccc3)CC2)cc1 ZINC000006629654 569334102 /nfs/dbraw/zinc/33/41/02/569334102.db2.gz NXIPEZTVESXILJ-UHFFFAOYSA-N 0 0 415.559 2.656 40 0 HFABRN CCOC(=O)C1=C(C)NC(SCC(N)=O)=N[C@@H]1c1cccc(Br)c1 ZINC000006843472 569334696 /nfs/dbraw/zinc/33/46/96/569334696.db2.gz WAPCEGOCHUPVHX-CQSZACIVSA-N 0 0 412.309 2.505 40 0 HFABRN CC(=O)Nc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N([C@H](C)c3ccccc3)C2)cc1 ZINC000007232557 569336932 /nfs/dbraw/zinc/33/69/32/569336932.db2.gz SYCTXUFVQDPUQG-QAPCUYQASA-N 0 0 423.469 2.736 40 0 HFABRN C[C@H](SCc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000007603255 569337764 /nfs/dbraw/zinc/33/77/64/569337764.db2.gz SLHNAJBSAOYQBV-INIZCTEOSA-N 0 0 420.556 2.968 40 0 HFABRN Cc1ccc(N2C[C@@H](C(=O)Oc3cccc(N4C(=O)CCC4=O)c3)CC2=O)cc1C ZINC000007928582 569338485 /nfs/dbraw/zinc/33/84/85/569338485.db2.gz UNRRSAQRAVKDQB-INIZCTEOSA-N 0 0 406.438 2.915 40 0 HFABRN Cc1ccccc1N1C[C@@H](C(=O)Oc2ccc(N3C(=O)CCC3=O)c(C)c2)CC1=O ZINC000007928598 569338526 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Cc1ccc(CN(C)C(=O)[C@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1 ZINC000020494444 558379715 /nfs/dbraw/zinc/37/97/15/558379715.db2.gz PSBXWBOSIGMQCY-GOSISDBHSA-N 0 0 408.907 2.834 40 0 HFABRN CC[C@H](Oc1ccccc1OC)C(=O)N1CCC[C@H](c2nn(C)c3nccnc23)C1 ZINC000012365164 558387670 /nfs/dbraw/zinc/38/76/70/558387670.db2.gz LWYBINZDVQSQDU-HOTGVXAUSA-N 0 0 409.490 2.936 40 0 HFABRN C[C@H](Oc1ccc(F)cc1F)C(=O)N1CCC[C@H](c2nn(C)c3nccnc23)C1 ZINC000012365174 558387674 /nfs/dbraw/zinc/38/76/74/558387674.db2.gz YPYZLRADMFIHPO-STQMWFEESA-N 0 0 401.417 2.815 40 0 HFABRN Cc1nc(N2CCC(C(N)=O)CC2)nc2c1C(=O)C[C@@H](c1cc(F)cc(F)c1)C2 ZINC000020673072 558398831 /nfs/dbraw/zinc/39/88/31/558398831.db2.gz NVQCOJNCGLCRDL-AWEZNQCLSA-N 0 0 400.429 2.678 40 0 HFABRN CCOC(=O)[C@@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@H]1c1cccc(OC)c1 ZINC000020802242 558415777 /nfs/dbraw/zinc/41/57/77/558415777.db2.gz IRTQCRKQURQMMA-PMACEKPBSA-N 0 0 423.469 2.807 40 0 HFABRN O=C(COc1ccc(F)cc1)NCCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000022227547 558467389 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COc1cc(CNC(=O)CN(c2cccc(C)c2)S(C)(=O)=O)ccc1OC(C)C ZINC000022327220 558478618 /nfs/dbraw/zinc/47/86/18/558478618.db2.gz RCXNWNFEUHRERP-UHFFFAOYSA-N 0 0 420.531 2.873 40 0 HFABRN Cc1ccc(OC[C@@H](C)NC(=O)CN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 ZINC000022329614 558479456 /nfs/dbraw/zinc/47/94/56/558479456.db2.gz ROBUQYUYXIELCZ-GOSISDBHSA-N 0 0 404.532 2.962 40 0 HFABRN COc1ccccc1CCCNC(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O ZINC000022330848 558479881 /nfs/dbraw/zinc/47/98/81/558479881.db2.gz BETUVYYQOSZRPJ-UHFFFAOYSA-N 0 0 410.923 2.864 40 0 HFABRN COc1ccc(N(CC(=O)N[C@H]2CC(C)(C)Oc3ccccc32)S(C)(=O)=O)cc1 ZINC000022332542 558480329 /nfs/dbraw/zinc/48/03/29/558480329.db2.gz IJVYXWCGJBICIH-SFHVURJKSA-N 0 0 418.515 2.880 40 0 HFABRN COc1cccc(CCCNC(=O)CN(c2cc(C)ccc2OC)S(C)(=O)=O)c1 ZINC000022336210 558481365 /nfs/dbraw/zinc/48/13/65/558481365.db2.gz GEBMSRJHFPVGPC-UHFFFAOYSA-N 0 0 420.531 2.527 40 0 HFABRN COc1ccccc1N(CC(=O)N[C@@H]1CC(C)(C)Oc2ccccc21)S(C)(=O)=O ZINC000022362605 558483312 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CCN(c1ccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)cc1)S(C)(=O)=O ZINC000022528837 558496561 /nfs/dbraw/zinc/49/65/61/558496561.db2.gz MVVQDYSMIZPCOC-UHFFFAOYSA-N 0 0 401.488 2.852 40 0 HFABRN COc1cc(C(=O)N[C@H](C)c2ccc(F)cc2)c(N(C)S(C)(=O)=O)cc1OC ZINC000022606219 558500639 /nfs/dbraw/zinc/50/06/39/558500639.db2.gz DHMGBEUTURIEFG-GFCCVEGCSA-N 0 0 410.467 2.730 40 0 HFABRN Cc1cccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)c1 ZINC000022834194 558515731 /nfs/dbraw/zinc/51/57/31/558515731.db2.gz GLGYDAUWMGZUAT-OAHLLOKOSA-N 0 0 412.471 2.992 40 0 HFABRN c1cnc(Oc2cccc(CN(CCN3CCOCC3)Cc3cccnc3)c2)nc1 ZINC000022913641 558520600 /nfs/dbraw/zinc/52/06/00/558520600.db2.gz XENNBTQSDDATNJ-UHFFFAOYSA-N 0 0 405.502 2.998 40 0 HFABRN Cc1ccc([C@@H](C)N2CCN(CC(=O)N3CCC[C@H](c4csnn4)C3)CC2)cc1 ZINC000022922424 558522636 /nfs/dbraw/zinc/52/26/36/558522636.db2.gz DWNHJVMHWYQPCF-QUCCMNQESA-N 0 0 413.591 2.931 40 0 HFABRN Cc1cc(-c2snnc2[C@@H]2CCCN(C(=O)C[C@@H]3CC(C)(C)OC3=O)C2)on1 ZINC000013225970 558526461 /nfs/dbraw/zinc/52/64/61/558526461.db2.gz GXYVKROYPQYXHL-CHWSQXEVSA-N 0 0 404.492 2.939 40 0 HFABRN CC(=O)c1ccc(N2C(=O)[C@@H]3C(=C(C(=O)c4ccccc4)N4CCC[C@H]34)C2O)cc1 ZINC000013556962 558540298 /nfs/dbraw/zinc/54/02/98/558540298.db2.gz GRQHNJFGNPBKRZ-PLACYPQZSA-N 0 0 402.450 2.724 40 0 HFABRN CCOC(=O)c1cccc(NC(=O)CN(c2cc(C)cc(C)c2)S(C)(=O)=O)c1 ZINC000013612496 558549042 /nfs/dbraw/zinc/54/90/42/558549042.db2.gz WTRCOPAYHJQROR-UHFFFAOYSA-N 0 0 404.488 2.885 40 0 HFABRN CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2cc(OC)ccc2OC)cc1 ZINC000013633320 558553005 /nfs/dbraw/zinc/55/30/05/558553005.db2.gz XKINGROWJWANNW-UHFFFAOYSA-N 0 0 422.503 2.752 40 0 HFABRN COc1ccc(OC)c(N(CC(=O)NCCCc2ccc(C)cc2)S(C)(=O)=O)c1 ZINC000013668572 558560547 /nfs/dbraw/zinc/56/05/47/558560547.db2.gz LMSKYBWIONZUMY-UHFFFAOYSA-N 0 0 420.531 2.527 40 0 HFABRN CCOC(=O)c1ccc(NC(=O)CN(c2ccccc2F)S(C)(=O)=O)c(C)c1 ZINC000013673683 558563352 /nfs/dbraw/zinc/56/33/52/558563352.db2.gz PRVIGOBWXWELNJ-UHFFFAOYSA-N 0 0 408.451 2.716 40 0 HFABRN CCOc1cccc(NC(=O)CN(c2ccc(OC)c(OC)c2)S(C)(=O)=O)c1 ZINC000013674749 558563872 /nfs/dbraw/zinc/56/38/72/558563872.db2.gz HAZQAEMYNXVLDS-UHFFFAOYSA-N 0 0 408.476 2.507 40 0 HFABRN COC[C@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1 ZINC000013679349 558565717 /nfs/dbraw/zinc/56/57/17/558565717.db2.gz XXOFIZLRHAYQQE-QWHCGFSZSA-N 0 0 423.362 2.686 40 0 HFABRN CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)c(C(=O)NC(C)C)c2)cc1 ZINC000013682365 558567322 /nfs/dbraw/zinc/56/73/22/558567322.db2.gz TWQYZOIWCDCRKS-UHFFFAOYSA-N 0 0 420.487 2.811 40 0 HFABRN CC[C@H](C)NC(=O)c1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000013685107 558569107 /nfs/dbraw/zinc/56/91/07/558569107.db2.gz QSQQDHIUYXYUBV-INIZCTEOSA-N 0 0 417.531 2.783 40 0 HFABRN Cc1ccc(CSCCNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000013688585 558571187 /nfs/dbraw/zinc/57/11/87/558571187.db2.gz RYUGYBFLWHYVNU-UHFFFAOYSA-N 0 0 406.573 2.974 40 0 HFABRN CC[C@@H](C(=O)N1CC(=O)Nc2ccccc21)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000013713812 558577566 /nfs/dbraw/zinc/57/75/66/558577566.db2.gz LHYBYJJLHCRZLS-KRWDZBQOSA-N 0 0 401.488 2.525 40 0 HFABRN CC[C@H](C(=O)N1CCN(c2ccccc2)CC1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000013715316 558578930 /nfs/dbraw/zinc/57/89/30/558578930.db2.gz TVTRRBQJRKDCSU-HXUWFJFHSA-N 0 0 419.522 2.719 40 0 HFABRN CC[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1)c1ccc(C)cc1 ZINC000024040817 558585953 /nfs/dbraw/zinc/58/59/53/558585953.db2.gz ZKJLXPABTBZTKK-NRFANRHFSA-N 0 0 415.559 2.812 40 0 HFABRN Cc1ccc(N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1Cl ZINC000027530691 558674332 /nfs/dbraw/zinc/67/43/32/558674332.db2.gz NBMDBTCZXSIODO-UHFFFAOYSA-N 0 0 408.907 2.931 40 0 HFABRN COC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)Cc2ccc3c(c2)OCCO3)c1 ZINC000027950875 558685199 /nfs/dbraw/zinc/68/51/99/558685199.db2.gz UAPFIRJSUHLUJB-UHFFFAOYSA-N 0 0 411.863 2.719 40 0 HFABRN COc1ccc(-c2cc(C(=O)N(C)Cc3ccnn3C)c3c(C)nn(C)c3n2)cc1 ZINC000036613373 558726674 /nfs/dbraw/zinc/72/66/74/558726674.db2.gz CTSZFRXMEHMIJM-UHFFFAOYSA-N 0 0 404.474 2.958 40 0 HFABRN C[C@@H](Oc1ccccc1Cl)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000015330636 558733890 /nfs/dbraw/zinc/73/38/90/558733890.db2.gz GFSPQXZINKFPQK-OAHLLOKOSA-N 0 0 408.907 2.640 40 0 HFABRN COc1ccc(C(=O)Nc2ccccc2Br)cc1S(=O)(=O)N(C)C ZINC000015349849 558735387 /nfs/dbraw/zinc/73/53/87/558735387.db2.gz BQBJQDGHFZUFLO-UHFFFAOYSA-N 0 0 413.293 2.960 40 0 HFABRN COc1ccccc1OCCNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1C ZINC000015381072 558736493 /nfs/dbraw/zinc/73/64/93/558736493.db2.gz ABIYCJZJOFAZJF-UHFFFAOYSA-N 0 0 418.515 2.597 40 0 HFABRN CNS(=O)(=O)c1cc(C(=O)Nc2ccc(Br)cc2F)ccc1OC ZINC000015582815 558744581 /nfs/dbraw/zinc/74/45/81/558744581.db2.gz PSPLCXFFPZNDRG-UHFFFAOYSA-N 0 0 417.256 2.757 40 0 HFABRN COc1ccc(CN(C)C(=O)[C@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1 ZINC000030946204 558746460 /nfs/dbraw/zinc/74/64/60/558746460.db2.gz YNBWHPXKEBFLHM-GOSISDBHSA-N 0 0 424.906 2.534 40 0 HFABRN COc1ccc(OC)c([C@@H](C)NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)c1 ZINC000031074857 558747899 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COc1ccc([C@H]2CCCN2S(=O)(=O)c2cnc(NC(C)=O)s2)cc1OC ZINC000019022980 558838252 /nfs/dbraw/zinc/83/82/52/558838252.db2.gz SGBLEORVJFBVHK-CYBMUJFWSA-N 0 0 411.505 2.645 40 0 HFABRN COc1ccccc1[C@@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000048076647 558843023 /nfs/dbraw/zinc/84/30/23/558843023.db2.gz YZHPGHNJVKLYQQ-IAGOWNOFSA-N 0 0 402.516 2.973 40 0 HFABRN Cc1cc(-c2cc(=O)[nH]nc2C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)on1 ZINC000019121246 558843244 /nfs/dbraw/zinc/84/32/44/558843244.db2.gz RFYWYTCEMXDHOE-UHFFFAOYSA-N 0 0 418.450 2.853 40 0 HFABRN Cc1ccc(S(=O)(=O)N2CCO[C@H](c3nc(Cc4cccs4)no3)C2)cc1 ZINC000019211575 558848517 /nfs/dbraw/zinc/84/85/17/558848517.db2.gz LWCUNQUQQSLFFA-INIZCTEOSA-N 0 0 405.501 2.793 40 0 HFABRN COc1ccc(C(=O)N[C@H]2C[C@@H]3CN(S(=O)(=O)c4ccc(C)cc4)C[C@@H]32)s1 ZINC000019211848 558848582 /nfs/dbraw/zinc/84/85/82/558848582.db2.gz JZDALZIRJZIBHR-KBMXLJTQSA-N 0 0 406.529 2.504 40 0 HFABRN Cc1ccc(-c2cc(CC3(C(=O)N4CCC(C(N)=O)CC4)CCOCC3)on2)cc1 ZINC000019212273 558848754 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401.474 2.836 40 0 HFABRN COc1cc(C(=O)N2C[C@@H](c3ccccc3F)[C@H](c3cc(=O)[nH]c(C)n3)C2)ccn1 ZINC000019285526 558859971 /nfs/dbraw/zinc/85/99/71/558859971.db2.gz FMTGHPPYXRAALP-DLBZAZTESA-N 0 0 408.433 2.644 40 0 HFABRN C[C@H](NS(=O)(=O)c1ccc(N2CCCC2=O)cc1)c1ccc2c(c1)OCCO2 ZINC000052781897 558861207 /nfs/dbraw/zinc/86/12/07/558861207.db2.gz GTHXFOPYMYBNNC-AWEZNQCLSA-N 0 0 402.472 2.624 40 0 HFABRN Cc1nccn1CCCNC(=O)c1cc2nc3c(c(C(F)(F)F)n2n1)CCCC3 ZINC000019288150 558861259 /nfs/dbraw/zinc/86/12/59/558861259.db2.gz NRACWFVHUMBMEU-UHFFFAOYSA-N 0 0 406.412 2.952 40 0 HFABRN COc1ccc(-c2noc([C@H]3CN(C(=O)c4c5c(nn4C)CCCC5)CCO3)n2)cc1 ZINC000019288643 558861455 /nfs/dbraw/zinc/86/14/55/558861455.db2.gz GADBWAGHROPAAW-GOSISDBHSA-N 0 0 423.473 2.571 40 0 HFABRN COc1cccc(-c2cc(-c3cccnc3)nn2CCNC(=O)c2cnn(C)c2)c1 ZINC000019290578 558863084 /nfs/dbraw/zinc/86/30/84/558863084.db2.gz PCMIMDZFXZKRJS-UHFFFAOYSA-N 0 0 402.458 2.784 40 0 HFABRN CC(C)C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(N)=O ZINC000068605606 558863931 /nfs/dbraw/zinc/86/39/31/558863931.db2.gz XLTMJMVYTANCPA-ZWKOTPCHSA-N 0 0 416.522 2.620 40 0 HFABRN O=C(Cn1nc2c(cc1=O)CCc1nc(N3CCCCC3)ncc1-2)OC1CCCCC1 ZINC000019292471 558864594 /nfs/dbraw/zinc/86/45/94/558864594.db2.gz LKIHQVXFHKDSLM-UHFFFAOYSA-N 0 0 423.517 2.665 40 0 HFABRN Nc1c(C(=O)[C@@H]2CCCN(C(=O)Cc3cccnc3)C2)cnn1-c1ccc(F)cc1 ZINC000019338419 558870861 /nfs/dbraw/zinc/87/08/61/558870861.db2.gz JUQVIXQHVYXRBW-MRXNPFEDSA-N 0 0 407.449 2.653 40 0 HFABRN O=C(COc1ccc(F)c(Cl)c1)N1CCO[C@@H](c2nc(-c3cccnc3)no2)C1 ZINC000019341062 558871869 /nfs/dbraw/zinc/87/18/69/558871869.db2.gz QHPNPFHNBGWFCL-MRXNPFEDSA-N 0 0 418.812 2.903 40 0 HFABRN NC(=O)[C@@]1(Cc2ccc(-c3cccs3)cc2)CN(C(=O)c2ccncc2)CCO1 ZINC000019344601 558872991 /nfs/dbraw/zinc/87/29/91/558872991.db2.gz QEDLZIGYBPRPTE-JOCHJYFZSA-N 0 0 407.495 2.749 40 0 HFABRN NC(=O)[C@]1(Cc2cccc(-c3ccncc3)c2)CN(C(=O)c2ccccc2)CCO1 ZINC000019368901 558877669 /nfs/dbraw/zinc/87/76/69/558877669.db2.gz CALGSTMUBHWOGC-DEOSSOPVSA-N 0 0 401.466 2.688 40 0 HFABRN O=C(C1CCN(c2ncnc3ccccc32)CC1)N1CCN(c2nccs2)CC1 ZINC000019376143 558882366 /nfs/dbraw/zinc/88/23/66/558882366.db2.gz HCGLBGLDLJBYTM-UHFFFAOYSA-N 0 0 408.531 2.652 40 0 HFABRN NC(=O)[C@]1(Cc2cccc(-c3cccc(F)c3)c2)CN(C(=O)c2ccccn2)CCO1 ZINC000019400199 558882841 /nfs/dbraw/zinc/88/28/41/558882841.db2.gz DPHXIUXEYHMICU-DEOSSOPVSA-N 0 0 419.456 2.827 40 0 HFABRN Cc1ccccc1OC[C@H](C)NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000055693306 558884014 /nfs/dbraw/zinc/88/40/14/558884014.db2.gz VZCYBDRSMIJDJJ-KRWDZBQOSA-N 0 0 402.516 2.977 40 0 HFABRN O=C(COc1cccc2cccnc21)N1CCO[C@H](c2nc(-c3ccccn3)no2)C1 ZINC000019403051 558884053 /nfs/dbraw/zinc/88/40/53/558884053.db2.gz UZWGVXDGDPITOK-SFHVURJKSA-N 0 0 417.425 2.659 40 0 HFABRN CCSc1ccccc1NC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1 ZINC000055703795 558884060 /nfs/dbraw/zinc/88/40/60/558884060.db2.gz WOVOMYODXNYEFQ-UHFFFAOYSA-N 0 0 419.572 2.987 40 0 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C[C@H]1C[C@@H]1C(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(C(=O)C1CCCC1)CC2 ZINC000019463419 558894330 /nfs/dbraw/zinc/89/43/30/558894330.db2.gz BHADDIBQJYLPIB-URLQWDBASA-N 0 0 412.534 2.554 40 0 HFABRN C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)N1CCC(Oc3ccccc3F)CC1)C2=O ZINC000019496090 558895049 /nfs/dbraw/zinc/89/50/49/558895049.db2.gz FFHKVAIDGXVQSR-IVZQSRNASA-N 0 0 417.481 2.696 40 0 HFABRN C[C@H]1CCc2noc(C3CCN(C(=O)[C@H]4CC(=O)N(Cc5ccncc5)C4)CC3)c2C1 ZINC000019497166 558896121 /nfs/dbraw/zinc/89/61/21/558896121.db2.gz FYDRMIKPTZTDCC-LPHOPBHVSA-N 0 0 422.529 2.949 40 0 HFABRN CCC(=O)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CN(C(=O)CC1CCCC1)CC2 ZINC000019498858 558897277 /nfs/dbraw/zinc/89/72/77/558897277.db2.gz GSNFYMZGTOHHPN-SFHVURJKSA-N 0 0 400.523 2.699 40 0 HFABRN CCc1nccn1CCC(=O)N1CC[C@H](C(=O)c2cnn(-c3ccc(C)cc3)c2N)C1 ZINC000019523626 558904891 /nfs/dbraw/zinc/90/48/91/558904891.db2.gz UYLAIDNSDXNTDF-KRWDZBQOSA-N 0 0 420.517 2.643 40 0 HFABRN CCn1nc(C)c([C@@H](C)NS(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(C)=O)c1C ZINC000019523799 558905156 /nfs/dbraw/zinc/90/51/56/558905156.db2.gz RDLGXRUJPMZBLH-TZMCWYRMSA-N 0 0 404.536 2.857 40 0 HFABRN CCn1c2ccc(NC(=O)CN3CCC(Oc4cccnc4)CC3)cc2n(CC)c1=O ZINC000019524241 558905481 /nfs/dbraw/zinc/90/54/81/558905481.db2.gz XUILBIGLHRENCN-UHFFFAOYSA-N 0 0 423.517 2.720 40 0 HFABRN COc1cc(CN2[C@@H]3CC[C@H]2Cc2nc(N4CCCC4)ncc23)ccc1OCCO ZINC000019550220 558914899 /nfs/dbraw/zinc/91/48/99/558914899.db2.gz CFMZQAZAZVTFFG-FXAWDEMLSA-N 0 0 410.518 2.718 40 0 HFABRN COc1cc2nc3n(c(=O)c2cc1OC)CCN(Cc1cccc(F)c1F)CC3 ZINC000019550845 558915341 /nfs/dbraw/zinc/91/53/41/558915341.db2.gz JLTLWAMXHDIBME-UHFFFAOYSA-N 0 0 401.413 2.750 40 0 HFABRN Cc1nc(-c2cccnc2)ncc1S(=O)(=O)N1CCN(CC2CCCCC2)CC1 ZINC000019552867 558916160 /nfs/dbraw/zinc/91/61/60/558916160.db2.gz KDQPXPQOCSNOED-UHFFFAOYSA-N 0 0 415.563 2.734 40 0 HFABRN COc1ccc([C@H]2c3nc[nH]c3CCN2C(=O)c2ccc(CN3CCOCC3)o2)cc1 ZINC000019553995 558917059 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568503592 /nfs/dbraw/zinc/50/35/92/568503592.db2.gz LXZKEAXGWCKLDB-HNNXBMFYSA-N 0 0 418.515 2.838 40 0 HFABRN COc1ccccc1NC(=O)[C@@H](C)N(c1ccc(OC)c(OC)c1)S(C)(=O)=O ZINC000220228147 568503712 /nfs/dbraw/zinc/50/37/12/568503712.db2.gz MKZXBCOZZNPBRP-CYBMUJFWSA-N 0 0 408.476 2.506 40 0 HFABRN Cc1ccccc1OC[C@@H](C)NC(=O)[C@H](C)N(c1ccccc1F)S(C)(=O)=O ZINC000220319397 568504566 /nfs/dbraw/zinc/50/45/66/568504566.db2.gz ADFDQTVCNCHCCT-CVEARBPZSA-N 0 0 408.495 2.872 40 0 HFABRN COc1ccc(C)cc1N([C@@H](C)C(=O)Nc1ccc2c(c1)OCO2)S(C)(=O)=O ZINC000220332910 568504714 /nfs/dbraw/zinc/50/47/14/568504714.db2.gz JSWTWYYYJILZGB-ZDUSSCGKSA-N 0 0 406.460 2.526 40 0 HFABRN COC(=O)c1ccc(NC(=O)[C@@H](C)N(c2ccc(F)c(F)c2)S(C)(=O)=O)cc1 ZINC000220445058 568505707 /nfs/dbraw/zinc/50/57/07/568505707.db2.gz KFZXIMHKZJHZAZ-LLVKDONJSA-N 0 0 412.414 2.545 40 0 HFABRN COc1ccccc1CCCNC(=O)[C@H](C)N(c1cccc(F)c1)S(C)(=O)=O ZINC000220482562 568505986 /nfs/dbraw/zinc/50/59/86/568505986.db2.gz XIPPYXHXBASPGF-HNNXBMFYSA-N 0 0 408.495 2.738 40 0 HFABRN COc1cccc(CCCNC(=O)[C@@H](C)N(c2cccc(F)c2)S(C)(=O)=O)c1 ZINC000220482651 568506036 /nfs/dbraw/zinc/50/60/36/568506036.db2.gz MEQDKEPIOAYDKE-OAHLLOKOSA-N 0 0 408.495 2.738 40 0 HFABRN CC[C@@H](C(=O)Nc1ccc(C(=O)OC)cc1)N(c1cccc(C)c1)S(C)(=O)=O ZINC000220498091 568506237 /nfs/dbraw/zinc/50/62/37/568506237.db2.gz PWOGGKMAXHVXBV-SFHVURJKSA-N 0 0 404.488 2.965 40 0 HFABRN CC[C@@H](C(=O)NCc1ccc2c(c1)OCO2)N(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000220570949 568506981 /nfs/dbraw/zinc/50/69/81/568506981.db2.gz RSNUGOZCOHSQRW-SFHVURJKSA-N 0 0 418.515 2.893 40 0 HFABRN CC[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)N(c1ccc(OC)cc1)S(C)(=O)=O ZINC000220646011 568507853 /nfs/dbraw/zinc/50/78/53/568507853.db2.gz XQWYGRSYNTXGLG-KRWDZBQOSA-N 0 0 420.487 2.650 40 0 HFABRN CCN1CCN(S(=O)(=O)c2ccc(NC(=O)C[C@H]3C[C@H]4CC[C@@H]3C4)cc2)CC1 ZINC000025008898 568514853 /nfs/dbraw/zinc/51/48/53/568514853.db2.gz MWHHZNUDKKFFBR-RCCFBDPRSA-N 0 0 405.564 2.778 40 0 HFABRN CC(C)CNC(=O)c1ccccc1NC(=O)c1cccc(N(C)S(C)(=O)=O)c1 ZINC000222411761 568515425 /nfs/dbraw/zinc/51/54/25/568515425.db2.gz XPOUKLVWATWDPT-UHFFFAOYSA-N 0 0 403.504 2.721 40 0 HFABRN CCOc1ccc(CNC(=O)c2cccc(N(C)S(C)(=O)=O)c2)cc1OCC ZINC000222417040 568515452 /nfs/dbraw/zinc/51/54/52/568515452.db2.gz SYMOUYJDKHBSNX-UHFFFAOYSA-N 0 0 406.504 2.810 40 0 HFABRN Cc1cccc(-c2noc(CN(C)C(=O)c3cccc(N(C)S(C)(=O)=O)c3)n2)c1 ZINC000222424703 568515553 /nfs/dbraw/zinc/51/55/53/568515553.db2.gz YFIDXVKSWZRSHR-UHFFFAOYSA-N 0 0 414.487 2.713 40 0 HFABRN CN(c1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)c(Cl)c1)S(C)(=O)=O ZINC000222513070 568517057 /nfs/dbraw/zinc/51/70/57/568517057.db2.gz SQJBKNAWWBIZOI-UHFFFAOYSA-N 0 0 421.950 2.694 40 0 HFABRN COc1cccc(N(CCCC(=O)Nc2ccc(OC)cc2OC)S(C)(=O)=O)c1 ZINC000222587980 568519464 /nfs/dbraw/zinc/51/94/64/568519464.db2.gz HXPFBOYATKXGSB-UHFFFAOYSA-N 0 0 422.503 2.897 40 0 HFABRN COc1ccc(C)cc1S(=O)(=O)N(Cc1nnc(N)s1)Cc1ccccc1 ZINC000222640967 568521915 /nfs/dbraw/zinc/52/19/15/568521915.db2.gz FPHSLMXEFNCTIL-UHFFFAOYSA-N 0 0 404.517 2.828 40 0 HFABRN CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CSCc1ccccc1F ZINC000222705418 568524287 /nfs/dbraw/zinc/52/42/87/568524287.db2.gz MZZWJLHTKPCFDT-UHFFFAOYSA-N 0 0 408.520 2.899 40 0 HFABRN CCOc1ccccc1CNC(=O)[C@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1 ZINC000222716526 568524562 /nfs/dbraw/zinc/52/45/62/568524562.db2.gz CKMFEFKVMRCING-HNNXBMFYSA-N 0 0 406.504 2.565 40 0 HFABRN CCc1ccc(CC)c(CNC(=O)CN(c2cccc(OC)c2)S(C)(=O)=O)c1 ZINC000222767123 568525934 /nfs/dbraw/zinc/52/59/34/568525934.db2.gz JYTJGQCTGPPYRZ-UHFFFAOYSA-N 0 0 404.532 2.902 40 0 HFABRN CC[C@H](NC(=O)CN(C)S(=O)(=O)c1ccc(OC)c(OC)c1)c1ccccc1 ZINC000222772850 568526081 /nfs/dbraw/zinc/52/60/81/568526081.db2.gz CKCVHDLOXGLBSO-KRWDZBQOSA-N 0 0 406.504 2.592 40 0 HFABRN COc1cccc(N(C)C(=O)COc2ccc(S(=O)(=O)NC(C)C)cc2C)c1 ZINC000222771129 568526158 /nfs/dbraw/zinc/52/61/58/568526158.db2.gz CJBUMOXPSRDZPM-UHFFFAOYSA-N 0 0 406.504 2.732 40 0 HFABRN Cc1ccc(OC[C@@H](C)NC(=O)CN(Cc2ccccc2)S(C)(=O)=O)cc1C ZINC000222808024 568526960 /nfs/dbraw/zinc/52/69/60/568526960.db2.gz OYDVSBNXNSGQOP-GOSISDBHSA-N 0 0 404.532 2.649 40 0 HFABRN Cc1ccc2c(c1)O[C@@H](C(=O)NCc1cccc3ccccc31)CN2S(C)(=O)=O ZINC000222874130 568529234 /nfs/dbraw/zinc/52/92/34/568529234.db2.gz SNEQUFOCDHQTKW-OAQYLSRUSA-N 0 0 410.495 2.992 40 0 HFABRN C[C@H](C(=O)NCCCO)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(Cl)cc1 ZINC000222923357 568531031 /nfs/dbraw/zinc/53/10/31/568531031.db2.gz GLLLQZSGCHFIGE-OAHLLOKOSA-N 0 0 406.885 2.938 40 0 HFABRN Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4C[C@H](C)C[C@@H](C)C4)[nH]c(=O)c32)c(C)c1 ZINC000223052240 568535709 /nfs/dbraw/zinc/53/57/09/568535709.db2.gz WJUWKRBZFYJTDT-FMKPAKJESA-N 0 0 423.517 2.934 40 0 HFABRN Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4C[C@H](C)C[C@@H](C)C4)[nH]c(=O)c32)cc1C ZINC000223050997 568535768 /nfs/dbraw/zinc/53/57/68/568535768.db2.gz CNLCZLOPXXTXQA-XNJGSVPQSA-N 0 0 423.517 2.934 40 0 HFABRN CCOc1ccc(CCCNC(=O)CN(Cc2ccccc2F)S(C)(=O)=O)cc1 ZINC000223117488 568538115 /nfs/dbraw/zinc/53/81/15/568538115.db2.gz ZYOBBRHFTXCRRU-UHFFFAOYSA-N 0 0 422.522 2.735 40 0 HFABRN Cc1nc2ccc(C)cn2c1C(=O)N1CCc2cc(S(=O)(=O)N3CCCC3)ccc21 ZINC000223149541 568539484 /nfs/dbraw/zinc/53/94/84/568539484.db2.gz GOOGRAVIVYIVTD-UHFFFAOYSA-N 0 0 424.526 2.939 40 0 HFABRN COc1ccc(S(=O)(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c(C)c1C ZINC000223299427 568544493 /nfs/dbraw/zinc/54/44/93/568544493.db2.gz MOVPJMRVBHPOKB-UHFFFAOYSA-N 0 0 401.488 2.911 40 0 HFABRN CCC(=O)N(Cc1ccccc1)[C@@H](C(=O)NCCN1CCOCC1)c1ccccc1 ZINC000223341483 568545832 /nfs/dbraw/zinc/54/58/32/568545832.db2.gz ZJUHABBNWMOVSW-HSZRJFAPSA-N 0 0 409.530 2.615 40 0 HFABRN CC[C@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)COc1ccc(OC)cc1 ZINC000223372369 568546836 /nfs/dbraw/zinc/54/68/36/568546836.db2.gz WSIYBAYMQTVDJY-HXUWFJFHSA-N 0 0 400.475 2.636 40 0 HFABRN CCCCNC(=O)c1cnc(SC)nc1N(C)S(=O)(=O)c1ccc(C)cc1 ZINC000223400402 568547552 /nfs/dbraw/zinc/54/75/52/568547552.db2.gz FNBKWGJGTOWECA-UHFFFAOYSA-N 0 0 408.549 2.862 40 0 HFABRN COCCCNc1ccc(C(=O)OC)cc1S(=O)(=O)Nc1ccc(OC)cc1 ZINC000223418292 568548429 /nfs/dbraw/zinc/54/84/29/568548429.db2.gz RIAQNYOHTCEPRC-UHFFFAOYSA-N 0 0 408.476 2.731 40 0 HFABRN COc1ccc(OC)c(S(=O)(=O)NCc2nc(-c3cccc(Cl)c3)no2)c1 ZINC000223621158 568553595 /nfs/dbraw/zinc/55/35/95/568553595.db2.gz QYRRHXYJULUFSH-UHFFFAOYSA-N 0 0 409.851 2.886 40 0 HFABRN Cc1ccc(OCCNC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)c(C)c1 ZINC000223635582 568554216 /nfs/dbraw/zinc/55/42/16/568554216.db2.gz OBTUMPFDJAANGL-UHFFFAOYSA-N 0 0 410.923 2.918 40 0 HFABRN CCc1ccc(OCCNC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)cc1 ZINC000223635495 568554248 /nfs/dbraw/zinc/55/42/48/568554248.db2.gz BUWPUSGOYOEPKB-UHFFFAOYSA-N 0 0 410.923 2.864 40 0 HFABRN CCCc1ccc(OCCNC(=O)CN(c2cccc(OC)c2)S(C)(=O)=O)cc1 ZINC000223645936 568554630 /nfs/dbraw/zinc/55/46/30/568554630.db2.gz IRLNXAOGGFFSRL-UHFFFAOYSA-N 0 0 420.531 2.609 40 0 HFABRN CCOc1ccccc1N(CC(=O)NCCOc1ccc(CC)cc1)S(C)(=O)=O ZINC000223650718 568554872 /nfs/dbraw/zinc/55/48/72/568554872.db2.gz OPXLCZZBJVDFAD-UHFFFAOYSA-N 0 0 420.531 2.609 40 0 HFABRN CCc1cc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)ccc1OC ZINC000223684805 568556175 /nfs/dbraw/zinc/55/61/75/568556175.db2.gz DQYKKHNIVMJZKG-UHFFFAOYSA-N 0 0 424.544 2.843 40 0 HFABRN CS(=O)(=O)N(CC(=O)NCCOc1ccccc1)c1cccc(Cl)c1Cl ZINC000223711771 568556966 /nfs/dbraw/zinc/55/69/66/568556966.db2.gz WMNVAXSBYSHWHC-UHFFFAOYSA-N 0 0 417.314 2.955 40 0 HFABRN CSc1nnc(NC(=O)CCCN(c2ccc(F)c(F)c2)S(C)(=O)=O)s1 ZINC000223720055 568557410 /nfs/dbraw/zinc/55/74/10/568557410.db2.gz USYOOXRGULODAQ-UHFFFAOYSA-N 0 0 422.504 2.723 40 0 HFABRN COc1ccc(-c2noc(CN(C)S(=O)(=O)c3ccc(F)cc3)n2)c(OC)c1 ZINC000223767295 568558553 /nfs/dbraw/zinc/55/85/53/568558553.db2.gz DPZXJUFMOXQZES-UHFFFAOYSA-N 0 0 407.423 2.714 40 0 HFABRN COc1ccc(S(=O)(=O)NCc2ccc(-n3ccnc3C)cc2)cc1NC(C)=O ZINC000223852146 568560954 /nfs/dbraw/zinc/56/09/54/568560954.db2.gz ISWSOMMSVBDVCJ-UHFFFAOYSA-N 0 0 414.487 2.626 40 0 HFABRN CS(=O)(=O)N(CC(=O)NCCOc1ccccc1)c1ccc(Cl)cc1Cl ZINC000223874643 568561519 /nfs/dbraw/zinc/56/15/19/568561519.db2.gz TXPJXJYJEUDBHL-UHFFFAOYSA-N 0 0 417.314 2.955 40 0 HFABRN Cc1cccc(OCCNC(=O)[C@H](C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)c1 ZINC000223891037 568562165 /nfs/dbraw/zinc/56/21/65/568562165.db2.gz PTXGRBFJYKVNQJ-SFHVURJKSA-N 0 0 404.532 2.962 40 0 HFABRN Cc1ccc(N(CC(=O)NCCOc2cccc(C)c2C)S(C)(=O)=O)c(C)c1 ZINC000223909596 568562661 /nfs/dbraw/zinc/56/26/61/568562661.db2.gz KBESAJCYPMVAGL-UHFFFAOYSA-N 0 0 404.532 2.881 40 0 HFABRN CSc1ccc(S(=O)(=O)N(C)CC(=O)NCCCN(C)c2ccccc2)cc1 ZINC000223964199 568564651 /nfs/dbraw/zinc/56/46/51/568564651.db2.gz BMHDNEDGJGUMIY-UHFFFAOYSA-N 0 0 421.588 2.672 40 0 HFABRN Cc1cccc(OCCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)c1C ZINC000223972770 568564944 /nfs/dbraw/zinc/56/49/44/568564944.db2.gz GCOSMYFXPLDDQK-LJQANCHMSA-N 0 0 416.543 2.899 40 0 HFABRN CC[C@@H](C(=O)Nc1nnc(SC)s1)N(c1ccccc1F)S(C)(=O)=O ZINC000223987328 568565436 /nfs/dbraw/zinc/56/54/36/568565436.db2.gz KRVAEOCRKFWVNZ-JTQLQIEISA-N 0 0 404.514 2.582 40 0 HFABRN C[C@@H](C(=O)NCCOc1ccc(Cl)cc1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000224004843 568566002 /nfs/dbraw/zinc/56/60/02/568566002.db2.gz CLSHTVFJBIIQAB-ZDUSSCGKSA-N 0 0 414.886 2.829 40 0 HFABRN CCc1ccc(OCCNC(=O)[C@@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)cc1 ZINC000224006408 568566053 /nfs/dbraw/zinc/56/60/53/568566053.db2.gz ZQVRDSLIDUVCQS-OAHLLOKOSA-N 0 0 408.495 2.738 40 0 HFABRN C[C@H](C(=O)NCCOCc1ccccc1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000224009314 568566174 /nfs/dbraw/zinc/56/61/74/568566174.db2.gz SQHOGPUXVXELAH-OAHLLOKOSA-N 0 0 410.923 2.828 40 0 HFABRN Cc1ccc(C)c(OCCNC(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)c1 ZINC000224021953 568566640 /nfs/dbraw/zinc/56/66/40/568566640.db2.gz NWNOVJBTXBPFHD-KRWDZBQOSA-N 0 0 422.572 2.961 40 0 HFABRN COCCCNC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)cc2)cc1Cl ZINC000224021766 568566664 /nfs/dbraw/zinc/56/66/64/568566664.db2.gz PQDRTMXPEJTWBG-UHFFFAOYSA-N 0 0 412.895 2.916 40 0 HFABRN COc1ccc(S(=O)(=O)NCCOc2ccccc2)cc1C(=O)N1CCCCC1 ZINC000224031840 568567093 /nfs/dbraw/zinc/56/70/93/568567093.db2.gz DFCMDSWSPBAZAK-UHFFFAOYSA-N 0 0 418.515 2.679 40 0 HFABRN COc1ccc(S(=O)(=O)NC(C)(C)CC(C)(C)C)cc1C(=O)N1CCOCC1 ZINC000224033980 568567141 /nfs/dbraw/zinc/56/71/41/568567141.db2.gz JTVLUPKOFPBFMB-UHFFFAOYSA-N 0 0 412.552 2.661 40 0 HFABRN CCCNC(=O)c1ccccc1NC(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O ZINC000027397055 568568832 /nfs/dbraw/zinc/56/88/32/568568832.db2.gz RBPYBMFKGNMDDF-UHFFFAOYSA-N 0 0 423.922 2.885 40 0 HFABRN Cc1ccc(CN(CC(=O)NCCSc2ccc(C)cc2)S(C)(=O)=O)cc1 ZINC000224106293 568570263 /nfs/dbraw/zinc/57/02/63/568570263.db2.gz RYYAONWKNYETGL-UHFFFAOYSA-N 0 0 406.573 2.974 40 0 HFABRN COc1ccc(OCCNS(=O)(=O)Cc2ccc(Br)cc2)cc1 ZINC000224185677 568572893 /nfs/dbraw/zinc/57/28/93/568572893.db2.gz IDEKGFGHDGMULI-UHFFFAOYSA-N 0 0 400.294 2.956 40 0 HFABRN COc1cccc(OCCNS(=O)(=O)Cc2ccc(Br)cc2)c1 ZINC000224185596 568572969 /nfs/dbraw/zinc/57/29/69/568572969.db2.gz 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O=C(CN1C(=O)C[C@@H](Cc2ccccc2)C1=O)N1CCC[C@H]1c1nc2ccccc2[nH]1 ZINC000012116056 558328098 /nfs/dbraw/zinc/32/80/98/558328098.db2.gz LCKMLCPYEZEEHO-XLIONFOSSA-N 0 0 416.481 2.844 40 0 HFABRN Cc1ncc(-c2ccncc2)c([C@@H]2CCCN(C(=O)Cn3nnc4ccccc43)C2)n1 ZINC000012117224 558329043 /nfs/dbraw/zinc/32/90/43/558329043.db2.gz ZTDCCMXTNDPIJC-GOSISDBHSA-N 0 0 413.485 2.998 40 0 HFABRN NC(=O)c1nc(-c2ccc3ncccc3c2)nc2c1[nH]c(=O)n2CCc1ccccc1 ZINC000012117980 558329651 /nfs/dbraw/zinc/32/96/51/558329651.db2.gz HMNRHGMSXMPTCI-UHFFFAOYSA-N 0 0 410.437 2.676 40 0 HFABRN Cc1cc(-c2cncnc2[C@@H]2CCCN(C(=O)CCn3nnc4ccccc43)C2)on1 ZINC000012127909 558331514 /nfs/dbraw/zinc/33/15/14/558331514.db2.gz UURCMBWDEPMVGI-MRXNPFEDSA-N 0 0 417.473 2.981 40 0 HFABRN Cc1cc(-c2cncnc2[C@H]2CCCN(CC(=O)Nc3ccc4c(c3)OCO4)C2)on1 ZINC000012127825 558331519 /nfs/dbraw/zinc/33/15/19/558331519.db2.gz QGUJUGXBPFNSCM-HNNXBMFYSA-N 0 0 421.457 2.987 40 0 HFABRN CCS(=O)(=O)N1C[C@@H](c2ccc(OC)cc2)[C@H](c2cc(C(F)(F)F)n[nH]2)C1 ZINC000012128823 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HFABRN CCn1nc(C)c(C(=O)N[C@H](C)Cn2nc3c(C)cc4ccccc4n3c2=O)c1C ZINC000012146399 558337916 /nfs/dbraw/zinc/33/79/16/558337916.db2.gz IFRAYYOEYIOIHE-CQSZACIVSA-N 0 0 406.490 2.609 40 0 HFABRN CCOc1ccc(CC(=O)N2CCC(n3nnc4c3nc(C3CC3)[nH]c4=O)CC2)cc1 ZINC000012154567 558339857 /nfs/dbraw/zinc/33/98/57/558339857.db2.gz RBLWWEZLOYBRID-UHFFFAOYSA-N 0 0 422.489 2.609 40 0 HFABRN Cc1cc(-c2cnc(C)nc2CCNC(=O)c2cccc(N3CCCC3=O)c2)on1 ZINC000012160135 558341532 /nfs/dbraw/zinc/34/15/32/558341532.db2.gz SQEKFKWYYRNPRB-UHFFFAOYSA-N 0 0 405.458 2.848 40 0 HFABRN Cc1ccc(C)c([C@@H](C)NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)N(C)C)c1 ZINC000020244381 558350805 /nfs/dbraw/zinc/35/08/05/558350805.db2.gz YBROVFDEISEKPH-MRXNPFEDSA-N 0 0 407.511 2.933 40 0 HFABRN CN(C)S(=O)(=O)N(C)c1ccc(C(=O)NCCSCc2ccccc2)cc1 ZINC000020245591 558351402 /nfs/dbraw/zinc/35/14/02/558351402.db2.gz YZWLUXOGPDLFAO-UHFFFAOYSA-N 0 0 407.561 2.592 40 0 HFABRN C[C@@]1(NC(=O)Cn2c(-c3ccc(F)cc3)cc3cccnc32)CCS(=O)(=O)C1 ZINC000012220959 558355905 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Cn1ncc2c1CCc1sc(NC(=O)CCCS(=O)(=O)c3ccccc3)nc1-2 ZINC000012327369 558383126 /nfs/dbraw/zinc/38/31/26/558383126.db2.gz HNWSJTLQGJGNCY-UHFFFAOYSA-N 0 0 416.528 2.835 40 0 HFABRN CCOc1ccc(O[C@H](C)C(=O)N2CCC[C@H](c3nn(C)c4nccnc34)C2)cc1 ZINC000012365152 558387610 /nfs/dbraw/zinc/38/76/10/558387610.db2.gz IKFKMWHFYRLMKF-CVEARBPZSA-N 0 0 409.490 2.936 40 0 HFABRN CC(C)c1ccc(S(=O)(=O)N2C[C@H]3NC(=O)c4ccccc4C(=O)[C@@]3(C)C2)cc1 ZINC000012407739 558398721 /nfs/dbraw/zinc/39/87/21/558398721.db2.gz ZHUADFXVBRQUBH-KNQAVFIVSA-N 0 0 412.511 2.816 40 0 HFABRN CCOC(=O)CSc1nc2nc3c(cn2n1)C(=O)C[C@@H](c1ccc(F)cc1)C3 ZINC000020796286 558414392 /nfs/dbraw/zinc/41/43/92/558414392.db2.gz KTTPHWYGCUXQIP-LBPRGKRZSA-N 0 0 400.435 2.831 40 0 HFABRN CCOC(=O)[C@@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@H]1c1ccccc1F ZINC000020802323 558415792 /nfs/dbraw/zinc/41/57/92/558415792.db2.gz KQIRBHXUMXXYCP-OALUTQOASA-N 0 0 411.433 2.937 40 0 HFABRN COc1ccc(C(=O)NCCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1C ZINC000022227193 558467181 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CCOc1cccc(N(CC(=O)NCc2ccccc2OCC)S(C)(=O)=O)c1 ZINC000022396812 558486634 /nfs/dbraw/zinc/48/66/34/558486634.db2.gz KKCSHMRNLOHYIW-UHFFFAOYSA-N 0 0 406.504 2.566 40 0 HFABRN CCOc1cccc(N(CC(=O)NCCCc2ccc(OC)cc2)S(C)(=O)=O)c1 ZINC000022401249 558487485 /nfs/dbraw/zinc/48/74/85/558487485.db2.gz UIEZHZFIRNIFHL-UHFFFAOYSA-N 0 0 420.531 2.609 40 0 HFABRN CS(=O)(=O)Nc1ccc(C(=O)NCc2ccc(-n3ccnc3)cc2)c(Cl)c1 ZINC000022509135 558492388 /nfs/dbraw/zinc/49/23/88/558492388.db2.gz CIBWDPACNSHJGS-UHFFFAOYSA-N 0 0 404.879 2.827 40 0 HFABRN CCOC(=O)c1cccc(NS(=O)(=O)c2ccc(OC)c(N3CCCC3=O)c2)c1 ZINC000022512362 558493164 /nfs/dbraw/zinc/49/31/64/558493164.db2.gz UQNNPLXFMAPWAT-UHFFFAOYSA-N 0 0 418.471 2.800 40 0 HFABRN CCc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCC(C)CC4)[nH]c(=O)c32)cc1 ZINC000022610056 558501427 /nfs/dbraw/zinc/50/14/27/558501427.db2.gz LEYQKUPKCFDIHC-MRXNPFEDSA-N 0 0 409.490 2.633 40 0 HFABRN O=C(c1cccc(F)c1)N1C[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)[C@H]2C1 ZINC000013265867 558528122 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COc1ccc(CN(C)C(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 ZINC000014820052 558674177 /nfs/dbraw/zinc/67/41/77/558674177.db2.gz ZENDHWYFNXESOX-UHFFFAOYSA-N 0 0 420.506 2.894 40 0 HFABRN CC(C)c1ccccc1NC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1 ZINC000014909717 558679010 /nfs/dbraw/zinc/67/90/10/558679010.db2.gz LFNSWXGVEDARLZ-UHFFFAOYSA-N 0 0 401.532 2.998 40 0 HFABRN CN(CC(=O)NCCCN1CCc2ccccc21)S(=O)(=O)c1ccc(Cl)cc1 ZINC000029520938 558716468 /nfs/dbraw/zinc/71/64/68/558716468.db2.gz CRXGNSOMBMAVNI-UHFFFAOYSA-N 0 0 421.950 2.530 40 0 HFABRN CC[C@@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)N(c1ccccc1)S(C)(=O)=O ZINC000030753752 558736479 /nfs/dbraw/zinc/73/64/79/558736479.db2.gz SNAWQBGMOBVSBN-IBGZPJMESA-N 0 0 415.515 2.997 40 0 HFABRN CS(=O)(=O)N(CC(=O)Nc1ccc(N2CCCC2=O)cc1)c1ccccc1Cl ZINC000030755100 558736895 /nfs/dbraw/zinc/73/68/95/558736895.db2.gz XRCOKPUDKVXLCJ-UHFFFAOYSA-N 0 0 421.906 2.872 40 0 HFABRN Cc1cc(C)c(C)c(O[C@@H](C)C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c1 ZINC000030848134 558739379 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CCc1cccc(C)c1NC(=O)CN(C)S(=O)(=O)c1cc(OC)ccc1OC ZINC000016162268 558774774 /nfs/dbraw/zinc/77/47/74/558774774.db2.gz JWXXEXLSCXHUES-UHFFFAOYSA-N 0 0 406.504 2.834 40 0 HFABRN O=C(COc1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCc2ccccc2C1 ZINC000016524769 558795144 /nfs/dbraw/zinc/79/51/44/558795144.db2.gz FNPGNXRSHLFHOZ-UHFFFAOYSA-N 0 0 414.527 2.825 40 0 HFABRN CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc(C(C)=O)c2)cc1C ZINC000016692311 558800245 /nfs/dbraw/zinc/80/02/45/558800245.db2.gz VYLOEXRNFRAZKY-UHFFFAOYSA-N 0 0 404.488 2.856 40 0 HFABRN COCc1nc2ccccc2n1CCCC(=O)Nc1ccc2c(c1)n(C)c(=O)n2C ZINC000036752215 558802707 /nfs/dbraw/zinc/80/27/07/558802707.db2.gz RTGFVOKLGCGYBE-UHFFFAOYSA-N 0 0 407.474 2.792 40 0 HFABRN COc1ccc(-c2nnc(SCC(=O)Nc3ccc(F)c(F)c3)n2N)cc1OC ZINC000016756070 558805640 /nfs/dbraw/zinc/80/56/40/558805640.db2.gz NPKMRSBRVYOXIM-UHFFFAOYSA-N 0 0 421.429 2.685 40 0 HFABRN COc1ccc(CCNC(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 ZINC000016960516 558810521 /nfs/dbraw/zinc/81/05/21/558810521.db2.gz IVQUQVKCGNZYEK-UHFFFAOYSA-N 0 0 416.543 2.771 40 0 HFABRN Cc1ccc(O[C@H](C)C(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 ZINC000017050467 558813050 /nfs/dbraw/zinc/81/30/50/558813050.db2.gz CYELXIOGDWAKGT-GOSISDBHSA-N 0 0 402.516 2.604 40 0 HFABRN Cc1nccn1-c1ccc(CNS(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1 ZINC000038752218 558813598 /nfs/dbraw/zinc/81/35/98/558813598.db2.gz MUTQDORLMVZXLQ-UHFFFAOYSA-N 0 0 410.499 2.786 40 0 HFABRN Cc1ccc([C@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1 ZINC000038752014 558813648 /nfs/dbraw/zinc/81/36/48/558813648.db2.gz ZIZBXOYPGZGXMM-KRWDZBQOSA-N 0 0 402.516 2.815 40 0 HFABRN COc1ccc(OC[C@@H](C)NC(=O)c2cc(NS(C)(=O)=O)ccc2Cl)cc1 ZINC000038755104 558814441 /nfs/dbraw/zinc/81/44/41/558814441.db2.gz OMEMPKNULFUYKX-GFCCVEGCSA-N 0 0 412.895 2.917 40 0 HFABRN CS(=O)(=O)N1CC[C@@H](C(=O)NCCSCc2ccccc2)Oc2ccccc21 ZINC000038837140 558818127 /nfs/dbraw/zinc/81/81/27/558818127.db2.gz HQAQZFLGDRUJEI-IBGZPJMESA-N 0 0 420.556 2.653 40 0 HFABRN CCN(CC(=O)Nc1ccc(OC)cc1OC)S(=O)(=O)c1cc(C)ccc1OC ZINC000039985674 558823562 /nfs/dbraw/zinc/82/35/62/558823562.db2.gz QZOLFWBKROGVEP-UHFFFAOYSA-N 0 0 422.503 2.670 40 0 HFABRN Cc1ccc(C(=O)Nc2ccccc2C(N)=O)cc1S(=O)(=O)N1CCCCC1 ZINC000017481546 558827635 /nfs/dbraw/zinc/82/76/35/558827635.db2.gz JTOPHSULBPXAJM-UHFFFAOYSA-N 0 0 401.488 2.521 40 0 HFABRN CCN(CC)S(=O)(=O)c1ccc(CCC(=O)NCc2ccccc2OC)cc1 ZINC000018079583 558830733 /nfs/dbraw/zinc/83/07/33/558830733.db2.gz WUBFDUPZYQCXFU-UHFFFAOYSA-N 0 0 404.532 2.975 40 0 HFABRN COc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccccc3C)CC2)cc1 ZINC000018106539 558831248 /nfs/dbraw/zinc/83/12/48/558831248.db2.gz ASEMPZSIFSXQCG-UHFFFAOYSA-N 0 0 402.516 2.721 40 0 HFABRN CN(C)C(=S)/N=c1\ss/c(=N\C(=S)N(C)C)n1-c1ccc(Cl)cc1 ZINC000018251649 558834852 /nfs/dbraw/zinc/83/48/52/558834852.db2.gz FOEQEQZVBLLSBB-YKVSKMSXSA-N 0 0 418.038 2.748 40 0 HFABRN CNc1cc([C@H]2CCCN(C(=O)C3CCN(C(C)=O)CC3)C2)nc(-c2cccnc2)n1 ZINC000019016734 558837156 /nfs/dbraw/zinc/83/71/56/558837156.db2.gz IYGHWAHRNIFQIM-IBGZPJMESA-N 0 0 422.533 2.545 40 0 HFABRN Cc1cc(C)n2ncc(C(=O)N3CCC[C@H](c4nc(-c5cccnc5)no4)C3)c2n1 ZINC000019116540 558842093 /nfs/dbraw/zinc/84/20/93/558842093.db2.gz VFLCJAHVHAVDFX-INIZCTEOSA-N 0 0 403.446 2.811 40 0 HFABRN Cc1cc(C)n2nc(C(=O)N3CCC[C@@H]([C@H]4CC(=O)c5cc(F)ccc5O4)C3)nc2n1 ZINC000019117304 558842294 /nfs/dbraw/zinc/84/22/94/558842294.db2.gz MZBVIXLBVZQVIC-AUUYWEPGSA-N 0 0 423.448 2.766 40 0 HFABRN COc1ccc(N2C(=O)[C@H]3C(=C(C(=O)c4ccc(C)cc4)N4CCC[C@H]34)C2O)cc1 ZINC000013554631 558843454 /nfs/dbraw/zinc/84/34/54/558843454.db2.gz NCPXALZWXBXALK-MXEMCNAFSA-N 0 0 404.466 2.839 40 0 HFABRN Cc1cc(-c2cncnc2-c2ccc(CNC(=O)CN3C[C@@H](C)O[C@H](C)C3)cc2)on1 ZINC000019124306 558844194 /nfs/dbraw/zinc/84/41/94/558844194.db2.gz PDGZNRYCXRQXTJ-IAGOWNOFSA-N 0 0 421.501 2.832 40 0 HFABRN COc1cccc(-c2noc(CCC(=O)Nc3cc4c(cc3C)n(C)c(=O)n4C)n2)c1 ZINC000019125843 558844608 /nfs/dbraw/zinc/84/46/08/558844608.db2.gz GMBGIGMZACIKLJ-UHFFFAOYSA-N 0 0 421.457 2.815 40 0 HFABRN Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H]([C@@H]1CCCN(C(=O)[C@@H]3CC(=O)OC3(C)C)C1)N2 ZINC000019127496 558844927 /nfs/dbraw/zinc/84/49/27/558844927.db2.gz CTQOYUHIDPVQJF-CBBWQLFWSA-N 0 0 410.465 2.762 40 0 HFABRN Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H]([C@@H]1CCCN(C(=O)CCCN3CCCC3=O)C1)N2 ZINC000019127734 558844956 /nfs/dbraw/zinc/84/49/56/558844956.db2.gz YXFKNYYAQBRSKA-IXDOHACOSA-N 0 0 423.508 2.823 40 0 HFABRN Cc1nc(C)c(C(=O)N[C@H]2C[C@H]3CCN(S(=O)(=O)c4ccc(C)cc4)[C@H]32)s1 ZINC000019211659 558848593 /nfs/dbraw/zinc/84/85/93/558848593.db2.gz NJQPYGCAPPKSNE-HYVNUMGLSA-N 0 0 405.545 2.650 40 0 HFABRN Cc1ccc(-n2ncc(C(=O)[C@@H]3CCN(C(=O)c4cc(C(C)C)n[nH]4)C3)c2N)cc1 ZINC000019213280 558849102 /nfs/dbraw/zinc/84/91/02/558849102.db2.gz KGOJIFRNUQLCNF-OAHLLOKOSA-N 0 0 406.490 2.954 40 0 HFABRN Cc1cc(C)n(CC(=O)N2CCC(C(=O)c3cnn(-c4ccc(C)cc4)c3N)CC2)n1 ZINC000019213328 558849134 /nfs/dbraw/zinc/84/91/34/558849134.db2.gz FGHFYPYEONONIS-UHFFFAOYSA-N 0 0 420.517 2.698 40 0 HFABRN Cc1ccc2c(c1)C(=O)CC1(CCN(C(=O)c3nn(C)c(=O)c4ccccc43)CC1)O2 ZINC000019218265 558851002 /nfs/dbraw/zinc/85/10/02/558851002.db2.gz PAEXYHLTBFYFJR-UHFFFAOYSA-N 0 0 417.465 2.882 40 0 HFABRN Cc1ccc2c(c1)C(=O)N[C@@]1(CCC(=O)N(CC(=O)NC3CCC(C)CC3)CC1)O2 ZINC000019218796 558851350 /nfs/dbraw/zinc/85/13/50/558851350.db2.gz JXAWTWQZCCBWSO-ILWXKZJZSA-N 0 0 413.518 2.521 40 0 HFABRN Cc1ccccc1C(=O)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CN(C(=O)C1CC1)CC2 ZINC000019236777 558855920 /nfs/dbraw/zinc/85/59/20/558855920.db2.gz KXKDYXWDOXKDHP-FQEVSTJZSA-N 0 0 420.513 2.740 40 0 HFABRN Cc1ccccc1C1=NO[C@H](CC2(C(=O)N3CCC[C@H](CO)C3)CCOCC2)C1 ZINC000019236950 558856253 /nfs/dbraw/zinc/85/62/53/558856253.db2.gz HHPUVDXFZNORBQ-OALUTQOASA-N 0 0 400.519 2.906 40 0 HFABRN COc1ccc(CC(=O)N2CCC(c3noc(-c4cnc(C)cn4)n3)CC2)cc1OC ZINC000019239039 558857692 /nfs/dbraw/zinc/85/76/92/558857692.db2.gz CTLKCERTLSCBNZ-UHFFFAOYSA-N 0 0 423.473 2.801 40 0 HFABRN CC(=O)NC12C[C@@H]3C[C@H](C1)CC(C(=O)N1CCN(Cc4csc(C)n4)CC1)(C3)C2 ZINC000019285570 558860096 /nfs/dbraw/zinc/86/00/96/558860096.db2.gz GSXFUJYBNZMDSA-OTXOEQGISA-N 0 0 416.591 2.571 40 0 HFABRN COc1ccc(-c2ccccc2C[C@@H]2CN(C(=O)c3nccn3C)CCNC2=O)cc1 ZINC000019291167 558863456 /nfs/dbraw/zinc/86/34/56/558863456.db2.gz OLBFUTHJHNUAHT-LJQANCHMSA-N 0 0 418.497 2.527 40 0 HFABRN Cn1cnnc1-c1cccc(NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)c1 ZINC000019291851 558864281 /nfs/dbraw/zinc/86/42/81/558864281.db2.gz IVLKFUZSXKGIGH-UHFFFAOYSA-N 0 0 423.498 2.582 40 0 HFABRN O=C(c1cccc(N2CCCCS2(=O)=O)c1)N1CC=CC[C@@]2(CO)CCC[C@@H]12 ZINC000019294392 558865758 /nfs/dbraw/zinc/86/57/58/558865758.db2.gz LIYAMAPIQHBOON-CTNGQTDRSA-N 0 0 404.532 2.550 40 0 HFABRN O=S(=O)(c1cccc(F)c1)N1CCO[C@@H](c2nc(Cc3cccs3)no2)C1 ZINC000019331164 558868378 /nfs/dbraw/zinc/86/83/78/558868378.db2.gz BVHLVJGYAGZRQU-OAHLLOKOSA-N 0 0 409.464 2.623 40 0 HFABRN CC1=C(C(=O)N2CCN(C)CC2)[C@H](c2ccc(Cl)cc2Cl)n2ncnc2N1 ZINC000054672254 558868708 /nfs/dbraw/zinc/86/87/08/558868708.db2.gz ORHIRIDEXZQTEZ-INIZCTEOSA-N 0 0 407.305 2.648 40 0 HFABRN c1cncc(-c2nc(NCCN3CCOCC3)ncc2-c2ccc3c(c2)OCO3)c1 ZINC000019340178 558871466 /nfs/dbraw/zinc/87/14/66/558871466.db2.gz KBDNWMDQLOPPJQ-UHFFFAOYSA-N 0 0 405.458 2.678 40 0 HFABRN O=C(CCCc1nc(-c2cccnc2)no1)N1CCN(C(=O)c2ccccc2F)CC1 ZINC000019347594 558873859 /nfs/dbraw/zinc/87/38/59/558873859.db2.gz RYCIKIYZBXFCPF-UHFFFAOYSA-N 0 0 423.448 2.578 40 0 HFABRN O=C(CN1N=C(c2ccccc2)Cn2c3ccsc3cc2C1=O)N1CCC(O)CC1 ZINC000019369820 558878170 /nfs/dbraw/zinc/87/81/70/558878170.db2.gz VBRHVKUQTRZFAL-UHFFFAOYSA-N 0 0 422.510 2.546 40 0 HFABRN NC(=O)[C@]1(Cc2cccc(-c3ccccc3)c2)CN(C(=O)c2cccnc2)CCO1 ZINC000019374224 558881161 /nfs/dbraw/zinc/88/11/61/558881161.db2.gz XVUBUOOHECRDCX-DEOSSOPVSA-N 0 0 401.466 2.688 40 0 HFABRN CC(C)[C@@H](NC(=O)[C@@H]1OCCc2ccccc21)c1cc(=O)[nH]c(-c2ccccn2)n1 ZINC000019445571 558885730 /nfs/dbraw/zinc/88/57/30/558885730.db2.gz FGFAKICJMKHSHQ-NHCUHLMSSA-N 0 0 404.470 2.959 40 0 HFABRN CC(C)Cc1cc(C(=O)N2CCN([C@@H](c3nccn3C)c3ccccc3)CC2)n(C)n1 ZINC000019447445 558886499 /nfs/dbraw/zinc/88/64/99/558886499.db2.gz QRCNFBIJDNDTLD-JOCHJYFZSA-N 0 0 420.561 2.900 40 0 HFABRN C[C@@H](CC(=O)N1CCC2(CC1)Nc1ccccc1C(=O)N2)n1nnc2ccccc21 ZINC000019455148 558891755 /nfs/dbraw/zinc/89/17/55/558891755.db2.gz KMXBLXXANSOMJI-HNNXBMFYSA-N 0 0 404.474 2.557 40 0 HFABRN C[C@@H](Cn1cc(Cl)cn1)c1cc(=O)[nH]c(NC[C@H]2COc3ccccc3O2)n1 ZINC000019457481 558892273 /nfs/dbraw/zinc/89/22/73/558892273.db2.gz RGUSZZHBGXDWMA-JSGCOSHPSA-N 0 0 401.854 2.675 40 0 HFABRN CC(=O)N1CCc2c(nc([C@H]3CCCCN3C(=O)[C@H](C)c3ccccc3)[nH]c2=O)C1 ZINC000019459266 558893010 /nfs/dbraw/zinc/89/30/10/558893010.db2.gz KPINWNCYSXVQQU-FOIQADDNSA-N 0 0 408.502 2.532 40 0 HFABRN C[C@@H]1C[C@@H]1C(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(C(=O)C1CCCC1)CC2 ZINC000019463417 558894409 /nfs/dbraw/zinc/89/44/09/558894409.db2.gz BHADDIBQJYLPIB-SIXWZSSISA-N 0 0 412.534 2.554 40 0 HFABRN C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)N1CCC(Oc3ccc(F)cc3)CC1)C2=O ZINC000019496086 558894985 /nfs/dbraw/zinc/89/49/85/558894985.db2.gz GTDRYEKTHMEGGH-IVZQSRNASA-N 0 0 417.481 2.696 40 0 HFABRN C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)N1CCC(Oc3ccccc3F)CC1)C2=O ZINC000019496091 558895045 /nfs/dbraw/zinc/89/50/45/558895045.db2.gz FFHKVAIDGXVQSR-OYHNWAKOSA-N 0 0 417.481 2.696 40 0 HFABRN CCC(=O)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CN(C(=O)C1CCCCC1)CC2 ZINC000019498856 558897287 /nfs/dbraw/zinc/89/72/87/558897287.db2.gz FVPYEPLXXBPHBM-SFHVURJKSA-N 0 0 400.523 2.699 40 0 HFABRN CCC(=O)N1CCc2c(=O)[nH]c([C@H]3CCCCN3C(=O)C=Cc3ccccc3)nc2C1 ZINC000019499090 558897338 /nfs/dbraw/zinc/89/73/38/558897338.db2.gz FZDAKUGCSKNKLP-YVNCXZRQSA-N 0 0 420.513 2.832 40 0 HFABRN CCC(C)(C)NC(=O)CN1CCC2(CC1)CN(C(C)=O)Cc1cc(C)ccc1O2 ZINC000019499502 558897901 /nfs/dbraw/zinc/89/79/01/558897901.db2.gz ZXHKYUZSESYXHT-UHFFFAOYSA-N 0 0 401.551 2.875 40 0 HFABRN CCCC(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(C(=O)C1CCCC1)CC2 ZINC000019501416 558899451 /nfs/dbraw/zinc/89/94/51/558899451.db2.gz MBNUFTHOJWUFJN-GOSISDBHSA-N 0 0 400.523 2.699 40 0 HFABRN CCCN1C(=O)N[C@@H](CC(=O)N[C@@H](Cc2ccsc2)c2ncccc2C)C1=O ZINC000019502523 558900110 /nfs/dbraw/zinc/90/01/10/558900110.db2.gz DMRGYWXPTLGCMW-HOTGVXAUSA-N 0 0 400.504 2.572 40 0 HFABRN CCCN1C(=O)N[C@@H](CC(=O)N[C@H](Cc2ccsc2)c2ncccc2C)C1=O ZINC000019502527 558900135 /nfs/dbraw/zinc/90/01/35/558900135.db2.gz DMRGYWXPTLGCMW-CVEARBPZSA-N 0 0 400.504 2.572 40 0 HFABRN CCn1c(CNS(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(C)=O)nc2ccccc21 ZINC000019524371 558905651 /nfs/dbraw/zinc/90/56/51/558905651.db2.gz QGSGIUMNHAZFLN-AWEZNQCLSA-N 0 0 412.515 2.832 40 0 HFABRN CCN1CCN(C(=O)c2ccn(C)n2)C[C@@H](Cc2ccc(-c3cccnc3)cc2)C1=O ZINC000019527386 558908551 /nfs/dbraw/zinc/90/85/51/558908551.db2.gz PVRGBFMCHCPEPX-OAQYLSRUSA-N 0 0 417.513 2.645 40 0 HFABRN CCOC(=O)[C@]1(C)N[C@@H](c2cccs2)[C@H]2C(=O)N(c3cccc(OC)c3)C(=O)[C@H]21 ZINC000019529808 558911251 /nfs/dbraw/zinc/91/12/51/558911251.db2.gz LTPNJGCWDGTTOP-NWZZKEMCSA-N 0 0 414.483 2.529 40 0 HFABRN COc1cc(CCC(=O)N2CCC[C@H](c3nc(-c4cccs4)cc(=O)[nH]3)C2)on1 ZINC000019550435 558915249 /nfs/dbraw/zinc/91/52/49/558915249.db2.gz VKLKFSOOCUXANZ-ZDUSSCGKSA-N 0 0 414.487 2.834 40 0 HFABRN COc1ccc2c(c1)c(-c1nc(C)ncc1CNC(=O)c1cnn(C)c1C)cn2C ZINC000019553502 558916563 /nfs/dbraw/zinc/91/65/63/558916563.db2.gz SAYNSFWHVFCRRV-UHFFFAOYSA-N 0 0 404.474 2.924 40 0 HFABRN Cc1c(S(=O)(=O)N2CCC[C@H]2c2nnc(-c3nccc4ccccc43)o2)cnn1C ZINC000019553909 558916819 /nfs/dbraw/zinc/91/68/19/558916819.db2.gz NMQUIGQJOYVDEJ-INIZCTEOSA-N 0 0 424.486 2.853 40 0 HFABRN COc1ccc(CC(=O)N2CCC(c3nc(-c4nccs4)cc(=O)[nH]3)CC2)cc1 ZINC000019554116 558917205 /nfs/dbraw/zinc/91/72/05/558917205.db2.gz KEPPRYJYCHIOEX-UHFFFAOYSA-N 0 0 410.499 2.851 40 0 HFABRN Cc1nc2cc(-c3nccn3C)nn2c(N2CCCC[C@@H]2CCN2CCOCC2)c1C ZINC000019555687 558918542 /nfs/dbraw/zinc/91/85/42/558918542.db2.gz JMXKPZGPGRYNHQ-LJQANCHMSA-N 0 0 423.565 2.828 40 0 HFABRN Cc1nn(CC(=O)N2CCC[C@H]2C(=O)c2cnn(-c3ccc(F)cc3)c2N)c(C)c1C ZINC000019556449 558918931 /nfs/dbraw/zinc/91/89/31/558918931.db2.gz YXWFXIDZDMSSPZ-IBGZPJMESA-N 0 0 424.480 2.589 40 0 HFABRN Cc1nn(CCC(=O)N2CCC[C@@H]2c2nc(-c3cccnc3)cc(=O)[nH]2)c(C)c1C ZINC000019557090 558919458 /nfs/dbraw/zinc/91/94/58/558919458.db2.gz MAMVLXLNFYYFBQ-LJQANCHMSA-N 0 0 406.490 2.707 40 0 HFABRN COc1ccc(-c2noc([C@@H]3CN(S(=O)(=O)c4ccccc4)CCO3)n2)cc1 ZINC000019558555 558920395 /nfs/dbraw/zinc/92/03/95/558920395.db2.gz HVRXPDKVFWAHHY-KRWDZBQOSA-N 0 0 401.444 2.507 40 0 HFABRN Cc1nc(C)c(C(=O)N2CCC[C@H](C3=NS(=O)(=O)c4ccccc4N3)C2)s1 ZINC000019560020 558921111 /nfs/dbraw/zinc/92/11/11/558921111.db2.gz UOLKCSCVDQQXSX-ZDUSSCGKSA-N 0 0 404.517 2.825 40 0 HFABRN COc1cccc(-c2cc(C(=O)N3CCN(C(=O)c4cccc(F)c4)CC3)[nH]n2)c1 ZINC000019566582 558926126 /nfs/dbraw/zinc/92/61/26/558926126.db2.gz HRIOYQASJPRHCL-UHFFFAOYSA-N 0 0 408.433 2.823 40 0 HFABRN C[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCCN3C(=O)c3ccc(=O)n(C)c3)cc2N1 ZINC000019574785 558932378 /nfs/dbraw/zinc/93/23/78/558932378.db2.gz IDHJDJUXQOWLJN-KCPJHIHWSA-N 0 0 409.412 2.867 40 0 HFABRN Cc1[nH]c2ccc(CNC(=O)[C@H](C)N3C(=O)c4ccccc4S3(=O)=O)cc2c1C ZINC000019576838 558932879 /nfs/dbraw/zinc/93/28/79/558932879.db2.gz OHLUTRYTCDWNNN-AWEZNQCLSA-N 0 0 411.483 2.634 40 0 HFABRN C[C@H](C(=O)NC1CCC(C)CC1)N1CC[C@]2(CCC1=O)NC(=O)c1ccccc1O2 ZINC000072326705 558933622 /nfs/dbraw/zinc/93/36/22/558933622.db2.gz IDEMVTLAZLKSLH-NNYAXYDKSA-N 0 0 413.518 2.601 40 0 HFABRN Cc1cc(-c2cncnc2C2CCN(CC(=O)Nc3ccc4c(c3)OCO4)CC2)on1 ZINC000072334647 558935613 /nfs/dbraw/zinc/93/56/13/558935613.db2.gz BXWIJSHOBQNSTI-UHFFFAOYSA-N 0 0 421.457 2.987 40 0 HFABRN COC(=O)[C@]1(CC(=O)OC(C)C)C(=O)C[C@H]2CC[C@@H]1N2Cc1cccc(OC)c1 ZINC000072340258 558939100 /nfs/dbraw/zinc/93/91/00/558939100.db2.gz XMMMIIAAITZZKU-NRJQMVOHSA-N 0 0 403.475 2.502 40 0 HFABRN NC(=O)c1cccc(-c2cnc(N)nc2[C@@H]2CCCN(C(=O)c3ccccc3)C2)c1 ZINC000072345919 558942407 /nfs/dbraw/zinc/94/24/07/558942407.db2.gz JQITVDJNFVUJDU-GOSISDBHSA-N 0 0 401.470 2.845 40 0 HFABRN COCC(=O)N1CC[C@@](Cc2ccc(-c3ccccc3)cc2)(C(=O)N2CCOCC2)C1 ZINC000019592704 558943702 /nfs/dbraw/zinc/94/37/02/558943702.db2.gz TUIVFYMHNKLNEN-VWLOTQADSA-N 0 0 422.525 2.620 40 0 HFABRN COCCC(=O)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CCN(Cc1ccsc1)C2 ZINC000019593169 558944011 /nfs/dbraw/zinc/94/40/11/558944011.db2.gz AFKPOZLQVQAGIE-SFHVURJKSA-N 0 0 416.547 2.892 40 0 HFABRN COCCC(=O)N1Cc2nnc(-c3ccc(OC)c(OC)c3)n2[C@@H]2CCCC[C@H]21 ZINC000019593223 558944353 /nfs/dbraw/zinc/94/43/53/558944353.db2.gz JMILJMZNNZNJMY-HZPDHXFCSA-N 0 0 400.479 2.825 40 0 HFABRN COCCCN1C[C@H](C(=O)Nc2nc(-c3ccc4c(c3)CCCO4)cs2)CC1=O ZINC000019593297 558944391 /nfs/dbraw/zinc/94/43/91/558944391.db2.gz LTUFBVBOPQKITD-MRXNPFEDSA-N 0 0 415.515 2.959 40 0 HFABRN Cc1nc(C)n([C@@H](C)CC(=O)N2CC=C(n3c(C)nc(=O)c4ccccc43)CC2)n1 ZINC000072348239 558945236 /nfs/dbraw/zinc/94/52/36/558945236.db2.gz CAVUODSHDGQMAH-AWEZNQCLSA-N 0 0 406.490 2.638 40 0 HFABRN 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Cc1cc(C)n(C)c(=O)c1C(=O)N1CCC(c2cncc(Nc3ccccn3)n2)CC1 ZINC000257266426 568794572 /nfs/dbraw/zinc/79/45/72/568794572.db2.gz MCZBEOZKAPMAFO-UHFFFAOYSA-N 0 0 418.501 2.951 40 0 HFABRN COCCc1ncc(CN2CCO[C@@H](c3cncc(-c4ccc(OC)cc4)n3)C2)cn1 ZINC000257274070 568796764 /nfs/dbraw/zinc/79/67/64/568796764.db2.gz NJKFEZLDBACMAN-JOCHJYFZSA-N 0 0 421.501 2.705 40 0 HFABRN Cc1cc(Cc2cccc(Cl)c2)cc([C@H]2CN(S(=O)(=O)N(C)C)CCO2)n1 ZINC000257282679 568799218 /nfs/dbraw/zinc/79/92/18/568799218.db2.gz OUTZEUZESHJLKI-LJQANCHMSA-N 0 0 409.939 2.814 40 0 HFABRN COc1ccc(C(=O)N2CCC[C@@](COc3ccccc3)(CC(N)=O)C2)cc1OC ZINC000257283859 568799645 /nfs/dbraw/zinc/79/96/45/568799645.db2.gz PAEBLQSTNLWOQR-HSZRJFAPSA-N 0 0 412.486 2.881 40 0 HFABRN O=C(NCCN1CCCC1=O)C1(Cc2cccc(-c3cccnc3)c2)CCOCC1 ZINC000257286433 568800564 /nfs/dbraw/zinc/80/05/64/568800564.db2.gz PLOUIADMVFYURA-UHFFFAOYSA-N 0 0 407.514 2.827 40 0 HFABRN CC(=O)NCC(=O)N1[C@H](c2cccc(C(F)(F)F)c2)C[C@]2(C)NC(=O)CCC[C@H]12 ZINC000257287975 568800933 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CC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N(C(=O)Cn1cccn1)[C@H]2Cc1ccccc1 ZINC000257311939 568807857 /nfs/dbraw/zinc/80/78/57/568807857.db2.gz ULRZQVSFTNZBOD-CHSSDKTLSA-N 0 0 406.530 2.885 40 0 HFABRN Cc1nnc(Nc2cccc([C@@H]3CN(CC(=O)N4CCC(C)CC4)CCO3)n2)s1 ZINC000257316043 568809063 /nfs/dbraw/zinc/80/90/63/568809063.db2.gz VDWQLSRBQBXGTO-KRWDZBQOSA-N 0 0 416.551 2.617 40 0 HFABRN CC(C)Cc1ncc(-c2cncc(C3CCN(S(=O)(=O)N(C)C)CC3)n2)s1 ZINC000257325600 568812011 /nfs/dbraw/zinc/81/20/11/568812011.db2.gz WTRFOXDITUUYKR-UHFFFAOYSA-N 0 0 409.581 2.784 40 0 HFABRN NC(=O)[C@H]1CCCN(C(=O)C2(Cc3ccc(-c4cccnc4)cc3)CCOCC2)C1 ZINC000257343072 568817042 /nfs/dbraw/zinc/81/70/42/568817042.db2.gz ZRJIWPYREANUBN-NRFANRHFSA-N 0 0 407.514 2.812 40 0 HFABRN CCCCN(CC)C(=O)c1nc([C@@H]2CCCN(S(C)(=O)=O)C2)n2ccccc12 ZINC000306123913 568887087 /nfs/dbraw/zinc/88/70/87/568887087.db2.gz BAIQVDNOXODUFM-MRXNPFEDSA-N 0 0 406.552 2.736 40 0 HFABRN CCc1nc(C)c(CN2CCO[C@]3(CCCC[C@H]3NC(=O)c3scnc3C)C2)[nH]1 ZINC000306124189 568887293 /nfs/dbraw/zinc/88/72/93/568887293.db2.gz BISZMMYLYGYDQA-DYESRHJHSA-N 0 0 417.579 2.989 40 0 HFABRN CC(C)n1cnc([C@@H]2CN(C(=O)c3ccncc3)C[C@@]23CCN(CC2CC2)C3=O)c1 ZINC000306126367 568889196 /nfs/dbraw/zinc/88/91/96/568889196.db2.gz DTONCOPZYYSNFR-CVDCTZTESA-N 0 0 407.518 2.727 40 0 HFABRN COc1ccc(NC(=O)c2nnc3n2C[C@H]2CN(C(=O)c4ccsc4)C[C@@H]2C3)cc1 ZINC000306126985 568889685 /nfs/dbraw/zinc/88/96/85/568889685.db2.gz FKVRJIIXEGREEF-LSDHHAIUSA-N 0 0 423.498 2.545 40 0 HFABRN COc1ncccc1CN1C[C@H]2[C@H](C1)N(Cc1csc(C)n1)C(=O)c1cccn12 ZINC000306128172 568891056 /nfs/dbraw/zinc/89/10/56/568891056.db2.gz GSZORAHBSQTSHS-OALUTQOASA-N 0 0 409.515 2.738 40 0 HFABRN Cc1ccc(C(=O)N2C[C@@H]3Cc4nnc(C(=O)Nc5ccccc5)n4C[C@@H]3C2)cc1 ZINC000306128222 568891260 /nfs/dbraw/zinc/89/12/60/568891260.db2.gz GUQQHOFYWVVDDW-ROUUACIJSA-N 0 0 401.470 2.783 40 0 HFABRN O=C(Cc1ccc2c(c1)CCCO2)N1CC2(C1)OCC[C@@H]2COCc1ccncc1 ZINC000306128615 568891407 /nfs/dbraw/zinc/89/14/07/568891407.db2.gz HGEASUXGNYZBNU-OAQYLSRUSA-N 0 0 408.498 2.783 40 0 HFABRN CC1(C(=O)N2C[C@@H]3NS(=O)(=O)c4ccccc4N(CC4CCCCC4)[C@H]3C2)CC1 ZINC000306131804 568894089 /nfs/dbraw/zinc/89/40/89/568894089.db2.gz KQAFLJWKLDVMEH-HKUYNNGSSA-N 0 0 417.575 2.745 40 0 HFABRN Cc1ccc(C(=O)N2C[C@H]3CCn4c(C(=O)NCc5ccccc5)nnc4[C@@H]3C2)cc1 ZINC000306133612 568895587 /nfs/dbraw/zinc/89/55/87/568895587.db2.gz MQUPUXUQKCZMPJ-WOJBJXKFSA-N 0 0 415.497 2.776 40 0 HFABRN O=S(=O)(c1ccccc1)N1CCO[C@H](c2nc3ccc(-c4cccnc4)cn3n2)C1 ZINC000306133829 568895844 /nfs/dbraw/zinc/89/58/44/568895844.db2.gz MXKDYSTUSWQMSG-IBGZPJMESA-N 0 0 421.482 2.554 40 0 HFABRN COc1ccc(-c2nnc3n(c2=O)CC[C@]32CCN(C(=O)c3sccc3C)C2)cc1 ZINC000306136116 568897961 /nfs/dbraw/zinc/89/79/61/568897961.db2.gz PJQDAVAVXPQGJJ-QFIPXVFZSA-N 0 0 422.510 2.871 40 0 HFABRN COc1ccc(-c2nnc3n(c2=O)CC[C@]32CCN(C(=O)c3cccc(C)c3)C2)cc1 ZINC000306136439 568898125 /nfs/dbraw/zinc/89/81/25/568898125.db2.gz PTNQPERHOIUMQW-DEOSSOPVSA-N 0 0 416.481 2.810 40 0 HFABRN O=C(Cc1ccco1)N1CC[C@@]2(C1)CCn1ncnc1[C@@H]2NC(=O)Nc1ccccc1 ZINC000306136327 568898158 /nfs/dbraw/zinc/89/81/58/568898158.db2.gz PQBMHXCFBZCCAF-UGKGYDQZSA-N 0 0 420.473 2.599 40 0 HFABRN O=C(NCc1ccccc1)c1nnc2n1CCN(C(=O)C1CC1)[C@@H]2c1ccccc1 ZINC000306141996 568903458 /nfs/dbraw/zinc/90/34/58/568903458.db2.gz WMEMCNQZLKDILG-LJQANCHMSA-N 0 0 401.470 2.550 40 0 HFABRN CCC(=O)N1C[C@@H](c2cn(C(C)C)cn2)[C@@]2(CCN(Cc3csc(C)n3)C2=O)C1 ZINC000306144210 568905610 /nfs/dbraw/zinc/90/56/10/568905610.db2.gz YZHHTUCLSKPKIW-LAUBAEHRSA-N 0 0 415.563 2.984 40 0 HFABRN Cc1cc(C)n(CCCn2c(=O)c3ccccc3nc2SCC(=O)NC2CC2)n1 ZINC000002740914 568931763 /nfs/dbraw/zinc/93/17/63/568931763.db2.gz KSJOPAXTSHPRBA-UHFFFAOYSA-N 0 0 411.531 2.671 40 0 HFABRN CCn1ncc(CN(C)C(=O)c2c(Br)c(C(F)(F)F)nn2C)c1C ZINC000002780275 568931966 /nfs/dbraw/zinc/93/19/66/568931966.db2.gz BWECZRDORJVMAS-UHFFFAOYSA-N 0 0 408.222 2.998 40 0 HFABRN Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3ccc(Br)cc3)[C@]2(C[NH3+])C(=O)[O-])cc1 ZINC000242548053 568964184 /nfs/dbraw/zinc/96/41/84/568964184.db2.gz LAVPEHPCNKRVAR-NUJGCVRESA-N 0 0 424.316 2.727 40 0 HFABRN CCOC[C@@]1(C(N)=S)[C@H](S(=O)(=O)CC)[C@H]1c1ccc(Br)cc1 ZINC000242649020 568968792 /nfs/dbraw/zinc/96/87/92/568968792.db2.gz RRMBRLROKVSAQD-NFAWXSAZSA-N 0 0 406.367 2.659 40 0 HFABRN COc1ccc(Nc2cc(-c3ccncc3)nc(N[C@H](C)CO)n2)cc1C(F)(F)F ZINC000328975293 568970780 /nfs/dbraw/zinc/97/07/80/568970780.db2.gz FKANUDWLNIWOLY-GFCCVEGCSA-N 0 0 419.407 2.946 40 0 HFABRN C[C@H](CO)Nc1nc(NCc2ccc(Br)cc2)cc(-c2cccnc2)n1 ZINC000328984922 568971436 /nfs/dbraw/zinc/97/14/36/568971436.db2.gz HQSVPEAIQZWMPY-CYBMUJFWSA-N 0 0 414.307 2.550 40 0 HFABRN COc1ccc(Nc2cc(-c3cccnc3)nc(NCCCO)n2)cc1C(F)(F)F ZINC000329039693 568974167 /nfs/dbraw/zinc/97/41/67/568974167.db2.gz RYUDVLGEHFBEGV-UHFFFAOYSA-N 0 0 419.407 2.948 40 0 HFABRN Cc1cc(C)c(S(=O)(=O)N(Cc2ccccc2)[C@@H]2CCS(=O)(=O)C2)cc1C ZINC000575425301 569026660 /nfs/dbraw/zinc/02/66/60/569026660.db2.gz XUYJCQJSPHWCGV-LJQANCHMSA-N 0 0 407.557 2.990 40 0 HFABRN Cn1ccs/c1=N\C(=O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000023656944 569066695 /nfs/dbraw/zinc/06/66/95/569066695.db2.gz SPCNPLUPXUNOCZ-MRCUWXFGSA-N 0 0 415.540 2.768 40 0 HFABRN CCc1ccc(NC(=O)Cn2nc3[nH]c(=O)c(Cc4ccccc4)nn3c2=S)cc1 ZINC000016778199 569263061 /nfs/dbraw/zinc/26/30/61/569263061.db2.gz LBFZBVNXXLVUEC-UHFFFAOYSA-N 0 0 420.498 2.740 40 0 HFABRN CCN1CCN(C(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccccc2)CC1 ZINC000006325857 569330935 /nfs/dbraw/zinc/33/09/35/569330935.db2.gz PFEBSEBHXITFRF-UHFFFAOYSA-N 0 0 415.559 2.663 40 0 HFABRN CCn1c(CC(=O)Nc2ccccc2)nnc1SCC(=O)Nc1nc(C)cs1 ZINC000006356634 569331567 /nfs/dbraw/zinc/33/15/67/569331567.db2.gz DSKNAXCWAQJNNL-UHFFFAOYSA-N 0 0 416.532 2.975 40 0 HFABRN CCCNC(=O)c1ccccc1NC(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000006879958 569335070 /nfs/dbraw/zinc/33/50/70/569335070.db2.gz XHBZLCZHGAPHGH-UHFFFAOYSA-N 0 0 417.531 2.848 40 0 HFABRN CCOC(=O)c1ccc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000006957030 569335836 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CCOc1ccccc1N(CC(=O)N[C@H](C)COc1ccccc1C)S(C)(=O)=O ZINC000022332971 558480523 /nfs/dbraw/zinc/48/05/23/558480523.db2.gz KZOAZVKNOOKFCT-QGZVFWFLSA-N 0 0 420.531 2.743 40 0 HFABRN Cc1ccc(OCCNC(=O)CN(c2ccc(OC(C)C)cc2)S(C)(=O)=O)cc1 ZINC000022401363 558487519 /nfs/dbraw/zinc/48/75/19/558487519.db2.gz HJIGKAAWFKFADI-UHFFFAOYSA-N 0 0 420.531 2.743 40 0 HFABRN COc1ccc([C@H](C)NC(=O)CN(c2ccc(C)cc2)S(C)(=O)=O)cc1OC ZINC000022432256 558489508 /nfs/dbraw/zinc/48/95/08/558489508.db2.gz HDCXWSDSGVWRBZ-HNNXBMFYSA-N 0 0 406.504 2.656 40 0 HFABRN COCc1nc(N2CCN(c3ccccc3OC)CC2)[nH]c(=O)c1CCC(C)C ZINC000022448853 558490206 /nfs/dbraw/zinc/49/02/06/558490206.db2.gz OIMGWFDFYBJSBX-UHFFFAOYSA-N 0 0 400.523 2.840 40 0 HFABRN CCS(=O)(=O)N(CC(=O)N[C@@H](C)c1ccc(F)cc1)c1ccc2c(c1)OCCO2 ZINC000022519374 558494497 /nfs/dbraw/zinc/49/44/97/558494497.db2.gz NHWWVQQTPZMQAP-AWEZNQCLSA-N 0 0 422.478 2.630 40 0 HFABRN Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCCCC4)[nH]c(=O)c32)c(Cl)c1 ZINC000022610038 558501353 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NCTUPTLKRJODOK-AWEZNQCLSA-N 0 0 419.532 2.596 40 0 HFABRN CCS(=O)(=O)N(CC(=O)N1c2ccccc2C[C@@H]1C)c1ccc2c(c1)OCCO2 ZINC000013649301 558557871 /nfs/dbraw/zinc/55/78/71/558557871.db2.gz AQZICDPSULOSQY-HNNXBMFYSA-N 0 0 416.499 2.592 40 0 HFABRN COC(=O)c1cccc(NC(=O)[C@@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)c1 ZINC000013671195 558562406 /nfs/dbraw/zinc/56/24/06/558562406.db2.gz SWAWZRPXLHIDCR-GFCCVEGCSA-N 0 0 410.879 2.920 40 0 HFABRN C[C@H](C(=O)N1c2ccccc2C[C@H]1C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000013671504 558562582 /nfs/dbraw/zinc/56/25/82/558562582.db2.gz FWEXLQYFQQCGQO-HUUCEWRRSA-N 0 0 416.499 2.590 40 0 HFABRN COC(=O)c1cccc(NC(=O)CN(c2cccc(Cl)c2C)S(C)(=O)=O)c1 ZINC000013673138 558563244 /nfs/dbraw/zinc/56/32/44/558563244.db2.gz MMBZHYUXDLARER-UHFFFAOYSA-N 0 0 410.879 2.840 40 0 HFABRN CCOc1cccc(NC(=O)CN(c2ccc3c(c2)OCCO3)S(=O)(=O)CC)c1 ZINC000013676491 558564634 /nfs/dbraw/zinc/56/46/34/558564634.db2.gz ZJHNSAGLMKWZPA-UHFFFAOYSA-N 0 0 420.487 2.651 40 0 HFABRN CCCCNC(=O)c1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000013685129 558569038 /nfs/dbraw/zinc/56/90/38/558569038.db2.gz GKXWBBGPXJEREM-UHFFFAOYSA-N 0 0 417.531 2.784 40 0 HFABRN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000013685105 558569064 /nfs/dbraw/zinc/56/90/64/558569064.db2.gz QSQQDHIUYXYUBV-MRXNPFEDSA-N 0 0 417.531 2.783 40 0 HFABRN CC[C@@H](C(=O)Nc1cccc(C(=O)OC)c1C)N(c1ccccc1)S(C)(=O)=O ZINC000013711503 558576087 /nfs/dbraw/zinc/57/60/87/558576087.db2.gz DWFPOKYJSBSILY-SFHVURJKSA-N 0 0 404.488 2.965 40 0 HFABRN COc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1S(=O)(=O)N1CCCCC1 ZINC000014291826 558651900 /nfs/dbraw/zinc/65/19/00/558651900.db2.gz WWMNRNYGUASBFG-UHFFFAOYSA-N 0 0 418.471 2.851 40 0 HFABRN O=C(CCc1ccc2c(c1)OCCO2)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 ZINC000026414966 558660556 /nfs/dbraw/zinc/66/05/56/558660556.db2.gz OCRGMBAUMMSWHL-KRWDZBQOSA-N 0 0 410.470 2.938 40 0 HFABRN CC(C)CCNC(=O)[C@@H]1[C@H]2C=C[C@]3(CN(CCc4c[nH]c5ccccc45)C(=O)[C@H]13)O2 ZINC000026690460 558664481 /nfs/dbraw/zinc/66/44/81/558664481.db2.gz FBOFDJFMOZCIEN-IUBSTNSRSA-N 0 0 407.514 2.655 40 0 HFABRN CCOC(=O)c1ccccc1NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000014908941 558679005 /nfs/dbraw/zinc/67/90/05/558679005.db2.gz BPEHVWBEGPRLAT-UHFFFAOYSA-N 0 0 402.472 2.900 40 0 HFABRN COc1cc(S(=O)(=O)NCc2cccs2)ccc1I ZINC000027823992 558683754 /nfs/dbraw/zinc/68/37/54/558683754.db2.gz KTSCZGINJYONLC-UHFFFAOYSA-N 0 0 409.270 2.840 40 0 HFABRN COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(N3CCCCC3)cc2)cc1 ZINC000029370642 558714439 /nfs/dbraw/zinc/71/44/39/558714439.db2.gz RJGNEXQCUVTMEN-UHFFFAOYSA-N 0 0 417.531 2.945 40 0 HFABRN COc1ccc(OC[C@@H](C)NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1 ZINC000030848323 558739591 /nfs/dbraw/zinc/73/95/91/558739591.db2.gz CIYYHWZXLKFDEU-OAHLLOKOSA-N 0 0 404.488 2.568 40 0 HFABRN C[C@H](CCc1ccccc1)NC(=O)c1ccc(CS(=O)(=O)N2CCOCC2)cc1 ZINC000030855042 558740862 /nfs/dbraw/zinc/74/08/62/558740862.db2.gz GGWHYGOLDGTEAZ-GOSISDBHSA-N 0 0 416.543 2.600 40 0 HFABRN Cc1nccn1-c1ccc(CNC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1 ZINC000030865293 558742441 /nfs/dbraw/zinc/74/24/41/558742441.db2.gz PPPVCAQVXJIWEU-UHFFFAOYSA-N 0 0 402.454 2.873 40 0 HFABRN CS(=O)(=O)Nc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)cc1Cl ZINC000030867290 558742741 /nfs/dbraw/zinc/74/27/41/558742741.db2.gz FZVIAAJJHNUHRE-UHFFFAOYSA-N 0 0 407.923 2.670 40 0 HFABRN C[C@@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)N(c1ccccc1)S(C)(=O)=O ZINC000030873374 558743556 /nfs/dbraw/zinc/74/35/56/558743556.db2.gz COTVBJABXAFZKG-HNNXBMFYSA-N 0 0 401.488 2.607 40 0 HFABRN Cc1ccc(OCCNC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000031240253 558749060 /nfs/dbraw/zinc/74/90/60/558749060.db2.gz FDBQNGCMAXZLQD-IBGZPJMESA-N 0 0 422.934 2.997 40 0 HFABRN O=C(NCCSCc1ccco1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000032981316 558757859 /nfs/dbraw/zinc/75/78/59/558757859.db2.gz BLBDTXHVFKMZNN-MRXNPFEDSA-N 0 0 408.545 2.730 40 0 HFABRN COc1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1S(=O)(=O)N1CCCCC1 ZINC000016154172 558773882 /nfs/dbraw/zinc/77/38/82/558773882.db2.gz PMTGZMWMNGNZOG-UHFFFAOYSA-N 0 0 424.544 2.979 40 0 HFABRN COc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)NCc1ccc(Cl)cc1 ZINC000016187901 558776417 /nfs/dbraw/zinc/77/64/17/558776417.db2.gz QEDNRLWBIMITOB-UHFFFAOYSA-N 0 0 417.314 2.939 40 0 HFABRN COc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)Nc1ccc(F)cc1F ZINC000016188320 558776733 /nfs/dbraw/zinc/77/67/33/558776733.db2.gz MTZZLEXTKBYSLT-UHFFFAOYSA-N 0 0 404.822 2.886 40 0 HFABRN CN(CCCNC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1)c1ccccc1 ZINC000016237926 558780293 /nfs/dbraw/zinc/78/02/93/558780293.db2.gz LIJACRSRSLCCNB-UHFFFAOYSA-N 0 0 421.588 2.792 40 0 HFABRN CCOc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccccc2Cl)cc1C ZINC000016692239 558800222 /nfs/dbraw/zinc/80/02/22/558800222.db2.gz OBLNVJFRRSGRIQ-UHFFFAOYSA-N 0 0 410.923 2.984 40 0 HFABRN Cc1cc(Br)ccc1NC(=O)CSc1nnc(-c2cccnc2)n1N ZINC000016755912 558805654 /nfs/dbraw/zinc/80/56/54/558805654.db2.gz XLOMNVJFAYHOQW-UHFFFAOYSA-N 0 0 419.308 2.856 40 0 HFABRN CCOc1ccccc1N(CC(=O)N(C)Cc1ccccc1OC)S(C)(=O)=O ZINC000038755864 558814712 /nfs/dbraw/zinc/81/47/12/558814712.db2.gz PSWYXRCXBIXTGD-UHFFFAOYSA-N 0 0 406.504 2.519 40 0 HFABRN Cc1ccc(C(=O)NCc2ccccc2-n2ccnc2)cc1S(=O)(=O)N1CCCC1 ZINC000038773055 558815648 /nfs/dbraw/zinc/81/56/48/558815648.db2.gz TYKLNUVSVTVYJR-UHFFFAOYSA-N 0 0 424.526 2.895 40 0 HFABRN CCOc1ccccc1NC(=O)[C@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1 ZINC000038834323 558817449 /nfs/dbraw/zinc/81/74/49/558817449.db2.gz PWBPTBAFLYFEST-QGZVFWFLSA-N 0 0 410.879 2.904 40 0 HFABRN CCOc1ccc(NC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1 ZINC000038834379 558817634 /nfs/dbraw/zinc/81/76/34/558817634.db2.gz UAHADZPHHUKSIC-KRWDZBQOSA-N 0 0 410.879 2.904 40 0 HFABRN O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NCc1ccccc1Cl ZINC000017116789 558822903 /nfs/dbraw/zinc/82/29/03/558822903.db2.gz SSUBQIGEZZWRPS-UHFFFAOYSA-N 0 0 422.934 2.610 40 0 HFABRN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1ccccc1C(N)=O ZINC000017481562 558827663 /nfs/dbraw/zinc/82/76/63/558827663.db2.gz ONHNNKSKKMQLTP-UHFFFAOYSA-N 0 0 401.488 2.521 40 0 HFABRN COc1cccc([C@@H]2CN(C(C)=O)[C@H]3CCN(S(=O)(=O)c4ccccc4)C[C@@H]23)c1 ZINC000019019543 558837574 /nfs/dbraw/zinc/83/75/74/558837574.db2.gz KWGXNRCNHBDANU-FKBYEOEOSA-N 0 0 414.527 2.720 40 0 HFABRN COc1ccc(OC)c([C@@H]2CCCN2C(=O)[C@@H](C)Oc2ccc(-n3cnnn3)cc2)c1 ZINC000019078574 558838671 /nfs/dbraw/zinc/83/86/71/558838671.db2.gz KZCLUZUACRDRAK-QRWLVFNGSA-N 0 0 423.473 2.811 40 0 HFABRN COc1ccc(-c2cc3cccnc3n2CC(=O)NC(C)(C)CN2CCOCC2)cc1 ZINC000019084976 558840975 /nfs/dbraw/zinc/84/09/75/558840975.db2.gz OGXBOIJLVPWZPN-UHFFFAOYSA-N 0 0 422.529 2.939 40 0 HFABRN CC(C)C(=O)N1CCC(c2nc([C@@H]3CCCN(C(=O)C4CC4)C3)cc(=O)[nH]2)CC1 ZINC000019085242 558841132 /nfs/dbraw/zinc/84/11/32/558841132.db2.gz LUQXNPJBGQLMIA-QGZVFWFLSA-N 0 0 400.523 2.660 40 0 HFABRN COc1ccccc1CN(C)C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000048097896 558843009 /nfs/dbraw/zinc/84/30/09/558843009.db2.gz TZXSKPWJKCEMEY-GOSISDBHSA-N 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Cc1ccccc1C(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(C(=O)C1CC1)CC2 ZINC000019236776 558855917 /nfs/dbraw/zinc/85/59/17/558855917.db2.gz KXKDYXWDOXKDHP-HXUWFJFHSA-N 0 0 420.513 2.740 40 0 HFABRN Cc1ccnn1CCC(=O)N1C[C@@H](c2cc(F)cc(F)c2)[C@]2(C1)CCCCC(=O)N2 ZINC000019238493 558857492 /nfs/dbraw/zinc/85/74/92/558857492.db2.gz OFRRNQVQLZTDKG-SIKLNZKXSA-N 0 0 416.472 2.915 40 0 HFABRN COc1ccc([C@@H]2CN(C(=O)c3ccncc3)C[C@H]2c2cc(=O)[nH]c(C)n2)cc1OC ZINC000019285440 558859892 /nfs/dbraw/zinc/85/98/92/558859892.db2.gz HLHUJNGFUBTSRP-ZWKOTPCHSA-N 0 0 420.469 2.514 40 0 HFABRN COc1cc(C(=O)NCCc2nc(C)ncc2-c2ccccn2)cc(OC)c1OC ZINC000019286942 558860737 /nfs/dbraw/zinc/86/07/37/558860737.db2.gz IFMIPGOSFBWYED-UHFFFAOYSA-N 0 0 408.458 2.845 40 0 HFABRN Cc1nnnn1-c1ccc(CC(=O)N2CCC[C@@H](COc3ccc(F)cc3)C2)cc1 ZINC000019288412 558861368 /nfs/dbraw/zinc/86/13/68/558861368.db2.gz WAWZMUUCEPJIQN-GOSISDBHSA-N 0 0 409.465 2.970 40 0 HFABRN COc1ccc(CC(=O)N2CCN(Cc3cc(-c4cccnc4)nn3C)CC2)cc1F ZINC000019289015 558861902 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ZINC000019576836 558932920 /nfs/dbraw/zinc/93/29/20/558932920.db2.gz OHLUTRYTCDWNNN-CQSZACIVSA-N 0 0 411.483 2.634 40 0 HFABRN Cc1nc2[n-]c(CC(=O)Nc3ccc(C[NH+]4CCCCCC4)cc3)nn2c(=O)c1C ZINC000019576982 558932973 /nfs/dbraw/zinc/93/29/73/558932973.db2.gz BLLWPXXFFXZSAN-UHFFFAOYSA-N 0 0 408.506 2.592 40 0 HFABRN CS(=O)(=O)c1cncnc1[C@H]1CCCN(C(=O)c2nsc(Cl)c2Cl)C1 ZINC000072334689 558935828 /nfs/dbraw/zinc/93/58/28/558935828.db2.gz WPSRIZGJPOUMNG-QMMMGPOBSA-N 0 0 421.331 2.663 40 0 HFABRN COc1cccc(-c2noc([C@H]3CN(C(=O)CCc4c(C)noc4C)CCO3)n2)c1 ZINC000019580753 558936378 /nfs/dbraw/zinc/93/63/78/558936378.db2.gz SZVJOQZLUJEWGM-GOSISDBHSA-N 0 0 412.446 2.883 40 0 HFABRN C[C@H]1CN(c2nc3c(c(=O)[nH]2)CCN(CC2=Cc4ccccc4OC2)C3)C[C@H](C)O1 ZINC000072335587 558936770 /nfs/dbraw/zinc/93/67/70/558936770.db2.gz MRXOEPRHXRXYEB-HOTGVXAUSA-N 0 0 408.502 2.630 40 0 HFABRN CCc1ccc(OCCNC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 ZINC000059471978 558936823 /nfs/dbraw/zinc/93/68/23/558936823.db2.gz CQONOKXNDMDSEX-UHFFFAOYSA-N 0 0 410.923 2.864 40 0 HFABRN COCc1ccc(C(=O)NCc2ccc(-c3ncncc3C(=O)N(C)C)cc2)cc1 ZINC000019581461 558936859 /nfs/dbraw/zinc/93/68/59/558936859.db2.gz ARRPXKVUVJUHLF-UHFFFAOYSA-N 0 0 404.470 2.922 40 0 HFABRN COc1ccc(/C=C/CN2CCc3c(=O)[nH]c(N4C[C@@H](C)O[C@@H](C)C4)nc3C2)cc1 ZINC000072335686 558936977 /nfs/dbraw/zinc/93/69/77/558936977.db2.gz BYOLZAXNZSWWLA-PSUYNTKASA-N 0 0 410.518 2.876 40 0 HFABRN COc1ccc(-c2ccc(C[C@@H]3CN(C(=O)c4c[nH]nc4C)CCNC3=O)cc2)cc1 ZINC000019582427 558937408 /nfs/dbraw/zinc/93/74/08/558937408.db2.gz KGVMSTDKFKBEBU-HXUWFJFHSA-N 0 0 418.497 2.825 40 0 HFABRN Cc1nc2cc(C3CCOCC3)nn2c(NCCCNC(=O)c2ccccn2)c1C ZINC000072336878 558937381 /nfs/dbraw/zinc/93/73/81/558937381.db2.gz VFUPOTKAUSEQAH-UHFFFAOYSA-N 0 0 408.506 2.867 40 0 HFABRN COc1cccc([C@H](NS(=O)(=O)c2cn(CC(C)C)nc2C)c2nccn2C)c1 ZINC000019584253 558938322 /nfs/dbraw/zinc/93/83/22/558938322.db2.gz JDIYSINJAATKOQ-IBGZPJMESA-N 0 0 417.535 2.658 40 0 HFABRN CNC(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)CCCN(C(=O)c2cnccn2)C1 ZINC000019591253 558941425 /nfs/dbraw/zinc/94/14/25/558941425.db2.gz KZRRVQGKVCNVHF-DEOSSOPVSA-N 0 0 415.497 2.750 40 0 HFABRN Cc1cc(CN(C)S(=O)(=O)c2ccc3c(c2)[C@H](NC(=O)c2ccccc2)CC3)[nH]n1 ZINC000072345857 558942463 /nfs/dbraw/zinc/94/24/63/558942463.db2.gz CXQXRGOBSXURFS-OAQYLSRUSA-N 0 0 424.526 2.956 40 0 HFABRN Cc1cc(CN(C)S(=O)(=O)c2ccc3c(c2)[C@H](NC(=O)C2CCCC2)CC3)[nH]n1 ZINC000072345859 558942472 /nfs/dbraw/zinc/94/24/72/558942472.db2.gz YAIOXILLAHMKNJ-HXUWFJFHSA-N 0 0 416.547 2.833 40 0 HFABRN COCCC(=O)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CCN(Cc1cccs1)C2 ZINC000019593165 558944051 /nfs/dbraw/zinc/94/40/51/558944051.db2.gz BIAOFGBEFLGQGR-SFHVURJKSA-N 0 0 416.547 2.892 40 0 HFABRN C[C@H]1CCCC[C@@H]1NC(=O)CN1c2c(cnn2-c2ccc(F)cc2)C2=NCCN2C1=O ZINC000072347771 558945005 /nfs/dbraw/zinc/94/50/05/558945005.db2.gz CYYQDAIBCICNTB-KSSFIOAISA-N 0 0 424.480 2.709 40 0 HFABRN CCN1CCN(C(=O)[C@@H]2CCC(=O)N2)[C@@H](Cc2ccccc2-c2cccc(C)c2)C1=O ZINC000072351622 558947926 /nfs/dbraw/zinc/94/79/26/558947926.db2.gz NWLLLBTZVKIWJN-VXKWHMMOSA-N 0 0 419.525 2.542 40 0 HFABRN Cc1nc2cc(NC(=O)CN(C)[C@H]3CCS(=O)(=O)C3)ccc2n1C1CCCCC1 ZINC000019655230 558948640 /nfs/dbraw/zinc/94/86/40/558948640.db2.gz AOSICPPGPYVCPG-SFHVURJKSA-N 0 0 418.563 2.907 40 0 HFABRN Cc1ccc(-c2cnc(NC(=O)CCc3ccc(S(N)(=O)=O)cc3)n2C)cc1C ZINC000019655437 558948898 /nfs/dbraw/zinc/94/88/98/558948898.db2.gz JFZKOELTUXGIDE-UHFFFAOYSA-N 0 0 412.515 2.923 40 0 HFABRN Cn1ccc(-c2cc(C(=O)N3Cc4ccccc4C[C@@H]3C(N)=O)c3ccccc3n2)n1 ZINC000019664613 558955053 /nfs/dbraw/zinc/95/50/53/558955053.db2.gz LLCZLAUPVVLVCQ-JOCHJYFZSA-N 0 0 411.465 2.688 40 0 HFABRN Cn1nccc1C[N@@H+]1CCCC[C@H]1Cc1c2ccccc2sc1C(=O)NCCO ZINC000072370608 558957025 /nfs/dbraw/zinc/95/70/25/558957025.db2.gz FMSAUWHSIXYSEH-INIZCTEOSA-N 0 0 412.559 2.954 40 0 HFABRN COCc1ccc(OC)c(CN2CCO[C@H](c3ncncc3-c3ccnc(N)c3)C2)c1 ZINC000072370867 558957505 /nfs/dbraw/zinc/95/75/05/558957505.db2.gz QZDJDWYFYNXAMV-NRFANRHFSA-N 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ZINC000019750242 558270351 /nfs/dbraw/zinc/27/03/51/558270351.db2.gz CLZALSNDITUGMH-HNNXBMFYSA-N 0 0 410.499 2.819 40 0 HFABRN COc1cccc(C(=O)N2CC[C@H](C(=O)N3CCC(Cn4ccnc4C)CC3)C2)c1 ZINC000019750372 558270444 /nfs/dbraw/zinc/27/04/44/558270444.db2.gz LTVOVVFABKHTRZ-FQEVSTJZSA-N 0 0 410.518 2.601 40 0 HFABRN Cc1cccc(CCNC(=O)Cn2cc(C(=O)Nc3ccc(F)cc3)ccc2=O)c1 ZINC000019751588 558271522 /nfs/dbraw/zinc/27/15/22/558271522.db2.gz LOAIEALCLHQVEV-UHFFFAOYSA-N 0 0 407.445 2.907 40 0 HFABRN Cc1nc([C@H]2CCCN2C(=O)c2cnn(C)c2)ncc1C(=O)Nc1ccc(F)cc1 ZINC000019755459 558274052 /nfs/dbraw/zinc/27/40/52/558274052.db2.gz HAVFOTQHHZAXBX-GOSISDBHSA-N 0 0 408.437 2.887 40 0 HFABRN COCCC(=O)N1CCCC[C@@H]1c1ncc(C(=O)NCc2ccc(F)cc2)c(C)n1 ZINC000019764993 558277926 /nfs/dbraw/zinc/27/79/26/558277926.db2.gz DNXHHGAVERTJBD-LJQANCHMSA-N 0 0 414.481 2.944 40 0 HFABRN Cc1nc([C@@H]2CCCN(C(=O)c3cc[nH]n3)C2)ncc1C(=O)NCc1ccc(F)cc1 ZINC000019765329 558278133 /nfs/dbraw/zinc/27/81/33/558278133.db2.gz BSOAGSCYLIQDHH-MRXNPFEDSA-N 0 0 422.464 2.597 40 0 HFABRN COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)C[C@H]1C(=O)NCCc1ccccc1 ZINC000019819195 558289316 /nfs/dbraw/zinc/28/93/16/558289316.db2.gz PSHNFMYCEUZZCK-LJQANCHMSA-N 0 0 410.445 2.985 40 0 HFABRN COc1ccc([C@H](C)NS(=O)(=O)c2ccc(OC)c(N3CCCC3=O)c2)cc1 ZINC000019933995 558311360 /nfs/dbraw/zinc/31/13/60/558311360.db2.gz JOJRXYPELMTCET-AWEZNQCLSA-N 0 0 404.488 2.870 40 0 HFABRN C[C@@H](NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)c1cccc(Br)c1 ZINC000019936661 558312264 /nfs/dbraw/zinc/31/22/64/558312264.db2.gz RRFDFLSUQGHNOF-SNVBAGLBSA-N 0 0 411.277 2.934 40 0 HFABRN C[C@H](NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)c1cccc(Br)c1 ZINC000019936663 558312311 /nfs/dbraw/zinc/31/23/11/558312311.db2.gz RRFDFLSUQGHNOF-JTQLQIEISA-N 0 0 411.277 2.934 40 0 HFABRN CCn1ncc(S(=O)(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2COc2cccc(OC)c2)c1C ZINC000012085283 558321187 /nfs/dbraw/zinc/32/11/87/558321187.db2.gz HTWLVYNNBKAHJJ-FRQCXROJSA-N 0 0 405.520 2.841 40 0 HFABRN O=C(c1ccc2c(c1)OCCO2)N1CCC[C@H](Cn2nnc(-c3cccs3)n2)C1 ZINC000012085361 558321416 /nfs/dbraw/zinc/32/14/16/558321416.db2.gz LKVGYABXYIYOTJ-AWEZNQCLSA-N 0 0 411.487 2.725 40 0 HFABRN CCNS(=O)(=O)c1cc(C(=O)N[C@@H](C)c2ccc(OC)c(OC)c2)ccc1OC ZINC000020024891 558322287 /nfs/dbraw/zinc/32/22/87/558322287.db2.gz CBHYKDGTBQENTA-ZDUSSCGKSA-N 0 0 422.503 2.502 40 0 HFABRN COc1cc(C(=O)N[C@H]2CCCc3ccccc32)c(N(C)S(C)(=O)=O)cc1OC ZINC000020030150 558324115 /nfs/dbraw/zinc/32/41/15/558324115.db2.gz UPVQPVIQIDBZNJ-KRWDZBQOSA-N 0 0 418.515 2.907 40 0 HFABRN CCc1ccccc1O[C@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000020037995 558325335 /nfs/dbraw/zinc/32/53/35/558325335.db2.gz LOYOKTRFFAVJQC-MRXNPFEDSA-N 0 0 418.515 2.676 40 0 HFABRN O=C(NCc1ccccc1-n1ccnc1)c1ccc(CS(=O)(=O)N2CCCC2)cc1 ZINC000020040761 558325809 /nfs/dbraw/zinc/32/58/09/558325809.db2.gz ZGAIUOGCIHIUSF-UHFFFAOYSA-N 0 0 424.526 2.728 40 0 HFABRN Cc1cccc(N(CC(=O)Nc2ccc(N3CCCC3=O)cc2)S(C)(=O)=O)c1C ZINC000020044508 558326950 /nfs/dbraw/zinc/32/69/50/558326950.db2.gz UKCVCEXUOIPAKJ-UHFFFAOYSA-N 0 0 415.515 2.835 40 0 HFABRN CCOc1cccc(CNS(=O)(=O)c2ccc(OC)c(C(=O)N3CCCC3)c2)c1 ZINC000020045766 558327414 /nfs/dbraw/zinc/32/74/14/558327414.db2.gz IIBXMTNHNHRKLT-UHFFFAOYSA-N 0 0 418.515 2.808 40 0 HFABRN CCc1nccn1CCC(=O)N1CCC[C@@H](n2nc(-c3cccs3)ccc2=O)C1 ZINC000012116211 558328250 /nfs/dbraw/zinc/32/82/50/558328250.db2.gz DYCYDTUAABYARK-MRXNPFEDSA-N 0 0 411.531 2.985 40 0 HFABRN CCOc1ccc([C@H](C)NC(=O)CN(c2ccccc2F)S(=O)(=O)N(C)C)cc1 ZINC000020049315 558328289 /nfs/dbraw/zinc/32/82/89/558328289.db2.gz KVLLBHUORLAQCD-HNNXBMFYSA-N 0 0 423.510 2.715 40 0 HFABRN O=C(Cn1nc2c3ccccc3nc(Cc3ccccc3)n2c1=O)Nc1ccccn1 ZINC000012117714 558329152 /nfs/dbraw/zinc/32/91/52/558329152.db2.gz GCVMTGDMOHNEGW-UHFFFAOYSA-N 0 0 410.437 2.669 40 0 HFABRN C[C@H]1CCCC[C@H]1NC(=O)Cn1c2ccccc2n2c(=O)n(Cc3cccnc3)nc12 ZINC000012117663 558329228 /nfs/dbraw/zinc/32/92/28/558329228.db2.gz ZWCFDTXRIBIUJC-FUHWJXTLSA-N 0 0 418.501 2.589 40 0 HFABRN O=C(c1ccc(-n2cnnn2)cc1)N1CCC(c2ncncc2-c2ccncc2)CC1 ZINC000012118690 558330110 /nfs/dbraw/zinc/33/01/10/558330110.db2.gz LPDDZIFNFSRCAN-UHFFFAOYSA-N 0 0 412.457 2.534 40 0 HFABRN COc1ccc(-c2nccc3ccn(CC(=O)NCc4nccn4C)c32)cc1OC ZINC000012129365 558332049 /nfs/dbraw/zinc/33/20/49/558332049.db2.gz QFDIYULCTPHCKA-UHFFFAOYSA-N 0 0 405.458 2.770 40 0 HFABRN CS(=O)(=O)N1C[C@H](C(=O)NCc2ccccc2Cl)Oc2ccc(Cl)cc21 ZINC000020110361 558335507 /nfs/dbraw/zinc/33/55/07/558335507.db2.gz VJVIEFFEWDYTII-MRXNPFEDSA-N 0 0 415.298 2.837 40 0 HFABRN COc1cc(N)c(Cl)cc1C(=O)N1CCC2(CC1)NC(=O)c1ccccc1O2 ZINC000012145781 558337160 /nfs/dbraw/zinc/33/71/60/558337160.db2.gz XZUIMVRSRRBXEM-UHFFFAOYSA-N 0 0 401.850 2.686 40 0 HFABRN Cc1cc2nc([C@H]3CCCCN3C(=O)C3CCN(S(C)(=O)=O)CC3)[nH]c2cc1C ZINC000012157723 558340723 /nfs/dbraw/zinc/34/07/23/558340723.db2.gz AAZVAJNJHQRVPB-LJQANCHMSA-N 0 0 418.563 2.905 40 0 HFABRN COc1ccccc1CC(=O)N1CCC(Cn2nc(-c3ccco3)ccc2=O)CC1 ZINC000012157921 558340909 /nfs/dbraw/zinc/34/09/09/558340909.db2.gz AAMGZIYURYIXGO-UHFFFAOYSA-N 0 0 407.470 2.993 40 0 HFABRN Cc1ccn(CCCNC(=O)Cn2ncc3c4oc(C)cc4n(C(C)C)c3c2=O)n1 ZINC000012183709 558343983 /nfs/dbraw/zinc/34/39/83/558343983.db2.gz PYFMWYOMNQYKKB-UHFFFAOYSA-N 0 0 410.478 2.545 40 0 HFABRN CN(C)S(=O)(=O)N(C)c1ccc(C(=O)NCCCc2ccccc2Cl)cc1 ZINC000020244458 558350816 /nfs/dbraw/zinc/35/08/16/558350816.db2.gz ZWRLCHGKPXGMBT-UHFFFAOYSA-N 0 0 409.939 2.945 40 0 HFABRN Cc1ccc(N2CCCC2=O)cc1S(=O)(=O)NCCCN(C)c1ccccc1 ZINC000012223144 558356488 /nfs/dbraw/zinc/35/64/88/558356488.db2.gz YQIKJPFYYHXIAP-UHFFFAOYSA-N 0 0 401.532 2.927 40 0 HFABRN CCc1nnsc1C(=O)N1CCC[C@H](c2nc3ccc(F)cc3cc2C(N)=O)C1 ZINC000012276446 558364212 /nfs/dbraw/zinc/36/42/12/558364212.db2.gz ZSSXSXTXWORCBS-NSHDSACASA-N 0 0 413.478 2.907 40 0 HFABRN CCS(=O)(=O)N1c2ccc(C(=O)N3CCN(c4ccccc4)CC3)cc2C[C@@H]1C ZINC000020449199 558364318 /nfs/dbraw/zinc/36/43/18/558364318.db2.gz SDMRVFUESJSVPD-KRWDZBQOSA-N 0 0 413.543 2.750 40 0 HFABRN COc1ccc(OC)c(NC(=O)c2ccc(CS(=O)(=O)N3CCCC3)cc2)c1 ZINC000020450534 558365292 /nfs/dbraw/zinc/36/52/92/558365292.db2.gz HKHGQKIIBVQTFJ-UHFFFAOYSA-N 0 0 404.488 2.882 40 0 HFABRN COc1ccc(CNC(=O)[C@@H](C)N(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1OC ZINC000020452224 558366600 /nfs/dbraw/zinc/36/66/00/558366600.db2.gz JCVHAVADRSZCFT-MRXNPFEDSA-N 0 0 420.531 2.792 40 0 HFABRN CC(C)Oc1cccc(NC(=O)CN(c2ccccc2F)S(=O)(=O)N(C)C)c1 ZINC000020456468 558370028 /nfs/dbraw/zinc/37/00/28/558370028.db2.gz DQYFJINQGTWDPX-UHFFFAOYSA-N 0 0 409.483 2.864 40 0 HFABRN CCc1ccc(N(CC(=O)NCc2ccccc2-n2ccnc2)S(C)(=O)=O)cc1 ZINC000020483962 558376052 /nfs/dbraw/zinc/37/60/52/558376052.db2.gz LZTIAVUTCMFBRD-UHFFFAOYSA-N 0 0 412.515 2.517 40 0 HFABRN CN(C)S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000020490052 558377712 /nfs/dbraw/zinc/37/77/12/558377712.db2.gz RFPWNQJGUMBCQR-JTQLQIEISA-N 0 0 413.849 2.816 40 0 HFABRN CCOc1ccc(O[C@H](C)C(=O)N2CCC[C@@H](c3nn(C)c4nccnc34)C2)cc1 ZINC000012365150 558387614 /nfs/dbraw/zinc/38/76/14/558387614.db2.gz IKFKMWHFYRLMKF-HZPDHXFCSA-N 0 0 409.490 2.936 40 0 HFABRN CC[C@@H](Oc1ccc(OC)cc1)C(=O)N1CCC[C@H](c2nn(C)c3nccnc23)C1 ZINC000012365177 558387624 /nfs/dbraw/zinc/38/76/24/558387624.db2.gz MYEIJPIROYDMBA-MAUKXSAKSA-N 0 0 409.490 2.936 40 0 HFABRN CC[C@H](Oc1ccc(OC)cc1)C(=O)N1CCC[C@H](c2nn(C)c3nccnc23)C1 ZINC000012365178 558387681 /nfs/dbraw/zinc/38/76/81/558387681.db2.gz MYEIJPIROYDMBA-YJBOKZPZSA-N 0 0 409.490 2.936 40 0 HFABRN CCOc1cccc(-c2c3c(nc4nc(N5CCOCC5)[nH]c(=O)c42)CCCC3=O)c1 ZINC000020673661 558399033 /nfs/dbraw/zinc/39/90/33/558399033.db2.gz METRYYYMECAFJG-UHFFFAOYSA-N 0 0 420.469 2.739 40 0 HFABRN CCOC(=O)[C@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@@H]1c1ccccc1OC ZINC000020802337 558415858 /nfs/dbraw/zinc/41/58/58/558415858.db2.gz IKDYKVBJIUUWIL-WOJBJXKFSA-N 0 0 423.469 2.807 40 0 HFABRN CCOC(=O)[C@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@H]1c1ccccc1OC ZINC000020802343 558415864 /nfs/dbraw/zinc/41/58/64/558415864.db2.gz IKDYKVBJIUUWIL-UXHICEINSA-N 0 0 423.469 2.807 40 0 HFABRN CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000022226872 558467059 /nfs/dbraw/zinc/46/70/59/558467059.db2.gz QLSQIDJFDCLFOT-UHFFFAOYSA-N 0 0 420.531 2.707 40 0 HFABRN COc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)NCc2ccc(C)cc2)c1 ZINC000022229643 558468415 /nfs/dbraw/zinc/46/84/15/558468415.db2.gz KLKLPPKHOFUSBN-IBGZPJMESA-N 0 0 402.516 2.782 40 0 HFABRN CC(C)CNC(=O)COc1ccc(N(Cc2ccc(F)cc2)S(C)(=O)=O)cc1 ZINC000022232441 558469776 /nfs/dbraw/zinc/46/97/76/558469776.db2.gz KCWYZJXMFQUGFS-UHFFFAOYSA-N 0 0 408.495 2.943 40 0 HFABRN CCCNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(OCC)c(C)c1 ZINC000022268065 558475151 /nfs/dbraw/zinc/47/51/51/558475151.db2.gz PBOWMQQOLAKRMN-IBGZPJMESA-N 0 0 404.532 2.810 40 0 HFABRN CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NC2CC2)cc1Cl ZINC000022269305 558475305 /nfs/dbraw/zinc/47/53/05/558475305.db2.gz YFGOCDPKHVMFFZ-SFHVURJKSA-N 0 0 422.934 2.907 40 0 HFABRN COc1ccc([C@H](C)NC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000022271920 558475548 /nfs/dbraw/zinc/47/55/48/558475548.db2.gz KXFCFQDEBGRBBA-HNNXBMFYSA-N 0 0 406.504 2.510 40 0 HFABRN CCc1ccccc1N(CC(=O)NCCCc1cccc(OC)c1)S(C)(=O)=O ZINC000022329816 558479426 /nfs/dbraw/zinc/47/94/26/558479426.db2.gz QNPNCUWYLWCCCP-UHFFFAOYSA-N 0 0 404.532 2.773 40 0 HFABRN CC(C)c1ccc(N(CC(=O)NCCN(C)c2ccccc2)S(C)(=O)=O)cc1 ZINC000022330169 558479704 /nfs/dbraw/zinc/47/97/04/558479704.db2.gz KWDJCDLKSDIGCJ-UHFFFAOYSA-N 0 0 403.548 2.829 40 0 HFABRN COc1ccc(N(CC(=O)NCCCc2ccccc2Cl)S(C)(=O)=O)cc1 ZINC000022332492 558480324 /nfs/dbraw/zinc/48/03/24/558480324.db2.gz WAHRSRBZOHQAHK-UHFFFAOYSA-N 0 0 410.923 2.864 40 0 HFABRN CCOc1ccccc1N(CC(=O)NCCCc1ccccc1OC)S(C)(=O)=O ZINC000022332847 558480520 /nfs/dbraw/zinc/48/05/20/558480520.db2.gz YWAXIKVLHGNVRZ-UHFFFAOYSA-N 0 0 420.531 2.609 40 0 HFABRN CC[C@H](NC(=O)CN(c1cccc(F)c1)S(C)(=O)=O)c1ccc(OC)c(OC)c1 ZINC000022363512 558483446 /nfs/dbraw/zinc/48/34/46/558483446.db2.gz AERXOQQKDQCIKZ-KRWDZBQOSA-N 0 0 424.494 2.876 40 0 HFABRN CC(C)Oc1ccc(N(CC(=O)Nc2ccc3c(c2)OCO3)S(C)(=O)=O)cc1 ZINC000022386732 558485522 /nfs/dbraw/zinc/48/55/22/558485522.db2.gz AFENNUDLVCYIGS-UHFFFAOYSA-N 0 0 406.460 2.607 40 0 HFABRN CCS(=O)(=O)N(CC(=O)N[C@H](C)c1ccc(F)cc1)c1ccc2c(c1)OCCO2 ZINC000022519380 558494569 /nfs/dbraw/zinc/49/45/69/558494569.db2.gz NHWWVQQTPZMQAP-CQSZACIVSA-N 0 0 422.478 2.630 40 0 HFABRN COC(=O)c1cccc(NC(=O)c2ccc(CS(=O)(=O)N3CCCC3)cc2)c1C ZINC000022520751 558494835 /nfs/dbraw/zinc/49/48/35/558494835.db2.gz MRTIUATXAXMEBX-UHFFFAOYSA-N 0 0 416.499 2.960 40 0 HFABRN Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NCc1ccc(-n2ccnc2)cc1 ZINC000022527651 558496132 /nfs/dbraw/zinc/49/61/32/558496132.db2.gz HLUYNEYFEIZMSX-UHFFFAOYSA-N 0 0 424.526 2.895 40 0 HFABRN CCOc1ccccc1N1C(=O)C[C@@H](N2CCc3cc(OC)c(OC)cc3C2)C1=O ZINC000022609190 558501036 /nfs/dbraw/zinc/50/10/36/558501036.db2.gz UKUBCHMZNQUALJ-GOSISDBHSA-N 0 0 410.470 2.793 40 0 HFABRN CCOc1cccc(NC(=O)[C@@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)c1 ZINC000013670645 558562156 /nfs/dbraw/zinc/56/21/56/558562156.db2.gz MSNHQDMQNTUELA-CQSZACIVSA-N 0 0 420.487 2.650 40 0 HFABRN C[C@@H](C(=O)N1c2ccccc2C[C@H]1C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000013671508 558562516 /nfs/dbraw/zinc/56/25/16/558562516.db2.gz FWEXLQYFQQCGQO-CABCVRRESA-N 0 0 416.499 2.590 40 0 HFABRN Cc1ccc(CCCNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)cc1 ZINC000013673685 558563382 /nfs/dbraw/zinc/56/33/82/558563382.db2.gz KZFQWVCGVHKBRB-UHFFFAOYSA-N 0 0 416.543 2.687 40 0 HFABRN Cc1ccc(N(CCCC(=O)NCc2ccc3c(c2)OCO3)S(C)(=O)=O)cc1C ZINC000013677349 558564909 /nfs/dbraw/zinc/56/49/09/558564909.db2.gz OKQCPTUVVKQVIW-UHFFFAOYSA-N 0 0 418.515 2.895 40 0 HFABRN CC[C@@H](C(=O)Nc1cc(C(=O)OC)ccc1C)N(c1ccccc1)S(C)(=O)=O ZINC000013711358 558576057 /nfs/dbraw/zinc/57/60/57/558576057.db2.gz RKQFQDRIVCGVLD-SFHVURJKSA-N 0 0 404.488 2.965 40 0 HFABRN CC[C@@H](C(=O)Nc1ccc(C(=O)OC)cc1)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000013713174 558577237 /nfs/dbraw/zinc/57/72/37/558577237.db2.gz FZOPTIPZMLIJJG-SFHVURJKSA-N 0 0 404.488 2.965 40 0 HFABRN CC[C@@H](C(=O)NCCc1ccc(OC)cc1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000013715386 558578876 /nfs/dbraw/zinc/57/88/76/558578876.db2.gz IASYFHXTBGLLEE-IBGZPJMESA-N 0 0 408.495 2.738 40 0 HFABRN CC[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000013716836 558579782 /nfs/dbraw/zinc/57/97/82/558579782.db2.gz GHQDGAOTFGKAQS-SFHVURJKSA-N 0 0 403.504 2.586 40 0 HFABRN COc1ccc(OC)c([C@H](C)NC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000014232594 558640277 /nfs/dbraw/zinc/64/02/77/558640277.db2.gz ALRKFHPFZALRET-HNNXBMFYSA-N 0 0 406.504 2.510 40 0 HFABRN COCc1cc(C)nc2sc3c(nc(CC(C)C)n(N(C(C)=O)C(C)=O)c3=O)c21 ZINC000012445630 558660309 /nfs/dbraw/zinc/66/03/09/558660309.db2.gz HMSLQSUZMGHLFC-UHFFFAOYSA-N 0 0 416.503 2.691 40 0 HFABRN Cc1ccccc1NC(=O)NC1(C(=O)NCCCN2CCOCC2)CCCCC1 ZINC000026439991 558660730 /nfs/dbraw/zinc/66/07/30/558660730.db2.gz MUZXGJLONJCXCK-UHFFFAOYSA-N 0 0 402.539 2.658 40 0 HFABRN Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCC[C@H](C)C4)[nH]c(=O)c32)c(F)c1 ZINC000038828196 558666158 /nfs/dbraw/zinc/66/61/58/558666158.db2.gz BLIAVVSVFQAAJL-STQMWFEESA-N 0 0 413.453 2.518 40 0 HFABRN O=C([C@H]1CC(c2c(F)cccc2Cl)=NO1)N1CCN(Cc2ccccn2)CC1 ZINC000036615446 558729236 /nfs/dbraw/zinc/72/92/36/558729236.db2.gz PPVPSMUVURUGCE-GOSISDBHSA-N 0 0 402.857 2.712 40 0 HFABRN CCS(=O)(=O)N1C[C@@H](C(=O)N[C@@H]2CCCc3ccccc32)Oc2ccccc21 ZINC000030751920 558736109 /nfs/dbraw/zinc/73/61/09/558736109.db2.gz ZODCOYVASSQHPA-XLIONFOSSA-N 0 0 400.500 2.798 40 0 HFABRN CC(C)c1ccc(CCNC(=O)CN(c2ccc(F)cc2)S(=O)(=O)N(C)C)cc1 ZINC000030753270 558736372 /nfs/dbraw/zinc/73/63/72/558736372.db2.gz PTMQGBOJTVVSKH-UHFFFAOYSA-N 0 0 421.538 2.921 40 0 HFABRN Cc1cccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1C ZINC000030854232 558740887 /nfs/dbraw/zinc/74/08/87/558740887.db2.gz LASJDIXEFNDYAZ-QGZVFWFLSA-N 0 0 418.515 2.730 40 0 HFABRN COc1ccc(N(CC(=O)N[C@@H](C)c2ccc(C)cc2)S(C)(=O)=O)c(OC)c1 ZINC000030856224 558741078 /nfs/dbraw/zinc/74/10/78/558741078.db2.gz LSQDHYWQPBRMIC-HNNXBMFYSA-N 0 0 406.504 2.656 40 0 HFABRN COc1ccc([C@@H](C)NC(=O)CN(c2ccc(C)cc2C)S(C)(=O)=O)cc1OC ZINC000030860338 558741633 /nfs/dbraw/zinc/74/16/33/558741633.db2.gz KKNVARSRKFHIKU-MRXNPFEDSA-N 0 0 420.531 2.964 40 0 HFABRN CCc1ccc(N(CC(=O)N[C@H](C)c2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1 ZINC000030860897 558741638 /nfs/dbraw/zinc/74/16/38/558741638.db2.gz ICQQQFJKGTYFPG-OAHLLOKOSA-N 0 0 420.531 2.910 40 0 HFABRN CS(=O)(=O)N1C[C@@H](C(=O)Nc2ccc(F)c(F)c2)Oc2ccc(Cl)cc21 ZINC000030938458 558745196 /nfs/dbraw/zinc/74/51/96/558745196.db2.gz VRWSLNMYBGGFKK-HNNXBMFYSA-N 0 0 402.806 2.784 40 0 HFABRN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000015608560 558746147 /nfs/dbraw/zinc/74/61/47/558746147.db2.gz NXFLKUDZXRXSDH-CQSZACIVSA-N 0 0 403.504 2.718 40 0 HFABRN Cc1ccc(C)c([C@@H](C)NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 ZINC000015693652 558749231 /nfs/dbraw/zinc/74/92/31/558749231.db2.gz HBPORIUWMFVGGP-QGZVFWFLSA-N 0 0 402.516 2.815 40 0 HFABRN O=C(c1ccc(Cl)cc1)N1CCc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000015716536 558749450 /nfs/dbraw/zinc/74/94/50/558749450.db2.gz GKLMXBJYUBIITF-UHFFFAOYSA-N 0 0 406.891 2.564 40 0 HFABRN COC(=O)c1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)c1 ZINC000031491128 558750897 /nfs/dbraw/zinc/75/08/97/558750897.db2.gz GRVBCWBPPNRSEX-INIZCTEOSA-N 0 0 402.472 2.513 40 0 HFABRN CNS(=O)(=O)c1cc(C(=O)Nc2ccc(C)cc2Br)ccc1OC ZINC000015737840 558751095 /nfs/dbraw/zinc/75/10/95/558751095.db2.gz IYUBYMCKGATEIO-UHFFFAOYSA-N 0 0 413.293 2.927 40 0 HFABRN Cc1ccc(C(=O)NC[C@H](C)c2ccccc2)cc1S(=O)(=O)N1CCOCC1 ZINC000015745065 558751307 /nfs/dbraw/zinc/75/13/07/558751307.db2.gz CKZRIGGJJYJFGX-KRWDZBQOSA-N 0 0 402.516 2.549 40 0 HFABRN COc1ccc2c(c1OC)C(=O)N1C2=Cc2c(cc3c(c2OC)OCO3)C[C@H]1N(C)C ZINC000031852387 558752918 /nfs/dbraw/zinc/75/29/18/558752918.db2.gz RTFMKOOQVKWDHF-SFHVURJKSA-N 0 0 424.453 2.839 40 0 HFABRN Cc1ccc(Cl)cc1N1CCN(C(=O)CCN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)CC1 ZINC000015949996 558763761 /nfs/dbraw/zinc/76/37/61/558763761.db2.gz YVQGNJDJFYICFX-HDICACEKSA-N 0 0 415.921 2.638 40 0 HFABRN Cc1ccc(C(=O)NCCOc2ccccc2)cc1S(=O)(=O)N1CCCCC1 ZINC000016009562 558766259 /nfs/dbraw/zinc/76/62/59/558766259.db2.gz BQGAYKYAXIEYPI-UHFFFAOYSA-N 0 0 402.516 2.978 40 0 HFABRN CN(C)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2C(=O)N2CCCCC2)c1 ZINC000016014399 558766963 /nfs/dbraw/zinc/76/69/63/558766963.db2.gz ZRWKKGCCCDDPKO-UHFFFAOYSA-N 0 0 415.515 2.815 40 0 HFABRN CCc1nnc(NC(=S)NC(=O)c2ccc(I)cc2)s1 ZINC000016162604 558774912 /nfs/dbraw/zinc/77/49/12/558774912.db2.gz YDQZBECCQYUZMA-UHFFFAOYSA-N 0 0 418.285 2.832 40 0 HFABRN COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2c(F)cccc2F)cc1Cl ZINC000016188023 558776521 /nfs/dbraw/zinc/77/65/21/558776521.db2.gz SPNJAORWIISEGT-UHFFFAOYSA-N 0 0 404.822 2.886 40 0 HFABRN COc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)N[C@@H](C)CCc1ccccc1 ZINC000016291289 558783931 /nfs/dbraw/zinc/78/39/31/558783931.db2.gz QRLJTZKNHZXFNR-KRWDZBQOSA-N 0 0 404.532 2.762 40 0 HFABRN O=C(/C=C/c1ccccc1Cl)N1CCN(C[C@H](O)COc2ccccc2)CC1 ZINC000035183279 558788977 /nfs/dbraw/zinc/78/89/77/558788977.db2.gz WQARXTUMVAKULI-VYENPZKTSA-N 0 0 400.906 2.937 40 0 HFABRN CC(C)Cn1c2nnc(SCC(=O)Nc3nccs3)n2c2ccccc2c1=O ZINC000035315649 558790077 /nfs/dbraw/zinc/79/00/77/558790077.db2.gz HFFFQNLVGATWCD-UHFFFAOYSA-N 0 0 414.516 2.888 40 0 HFABRN O=C1[C@@H]2[C@H](c3ccc(Br)cc3)N3CCCN3[C@@H]2C(=O)N1c1ccccc1 ZINC000100820806 558797950 /nfs/dbraw/zinc/79/79/50/558797950.db2.gz WFRSXQCBXDKKBP-SQNIBIBYSA-N 0 0 412.287 2.985 40 0 HFABRN CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(NC(C)=O)cc2)cc1C ZINC000016692293 558800275 /nfs/dbraw/zinc/80/02/75/558800275.db2.gz LNAYKEPNPCNBAP-UHFFFAOYSA-N 0 0 419.503 2.611 40 0 HFABRN O=C(OCCN1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)c1ccccc1 ZINC000036627585 558800390 /nfs/dbraw/zinc/80/03/90/558800390.db2.gz FYVQJQWVBFBRTF-UHFFFAOYSA-N 0 0 408.907 2.503 40 0 HFABRN Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)C[NH+]3CCCCCC3)cc2)nc(C)n1 ZINC000016740474 558803238 /nfs/dbraw/zinc/80/32/38/558803238.db2.gz OOJKIHKURIQVJT-UHFFFAOYSA-N 0 0 417.535 2.709 40 0 HFABRN CCOc1ccc([C@H](C)NC(=O)CN(c2ccccc2OC)S(C)(=O)=O)cc1 ZINC000038753146 558813723 /nfs/dbraw/zinc/81/37/23/558813723.db2.gz URYVHCWTNBIWGN-HNNXBMFYSA-N 0 0 406.504 2.737 40 0 HFABRN CCOc1cccc(CNC(=O)CN(c2ccc(F)c(Cl)c2)S(C)(=O)=O)c1 ZINC000038757028 558814975 /nfs/dbraw/zinc/81/49/75/558814975.db2.gz BWKIIKZAJNNFAW-UHFFFAOYSA-N 0 0 414.886 2.960 40 0 HFABRN C[C@@H]1CCC[C@H](C)N1c1nc2c(c(=O)[nH]1)[C@@H](C(=O)Nc1cccc(F)c1)CC(=O)N2 ZINC000038828496 558816003 /nfs/dbraw/zinc/81/60/03/558816003.db2.gz MJNDFNJEDZGKAT-ZOWXZIJZSA-N 0 0 413.453 2.741 40 0 HFABRN Cc1c(C(=O)N2CCN(C)CC2)cnc2c(-c3ccc(Br)cc3)cnn21 ZINC000038829619 558816261 /nfs/dbraw/zinc/81/62/61/558816261.db2.gz IPBCXBWJHVCJCU-UHFFFAOYSA-N 0 0 414.307 2.855 40 0 HFABRN CCN(CC(=O)N1CCC(C)CC1)S(=O)(=O)c1ccc(Br)cc1 ZINC000039985353 558823318 /nfs/dbraw/zinc/82/33/18/558823318.db2.gz CLGOJUSBENTSDC-UHFFFAOYSA-N 0 0 403.342 2.718 40 0 HFABRN CCN(CC(=O)N[C@H](C)CCc1ccccc1)S(=O)(=O)c1ccc(OC)cc1 ZINC000039985902 558823703 /nfs/dbraw/zinc/82/37/03/558823703.db2.gz WGMHNPCRRKPMPL-QGZVFWFLSA-N 0 0 404.532 2.843 40 0 HFABRN Cc1ccc2c(c1)c(=O)n(C)c1nnc(CSc3nncn3-c3ccccc3)n12 ZINC000040114179 558824386 /nfs/dbraw/zinc/82/43/86/558824386.db2.gz WQDCUATZPVFPRF-UHFFFAOYSA-N 0 0 403.471 2.763 40 0 HFABRN Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCN(C)c3ccccc3)CC2)cc1 ZINC000017816111 558828138 /nfs/dbraw/zinc/82/81/38/558828138.db2.gz BCEJYIXYFGLZMK-UHFFFAOYSA-N 0 0 415.559 2.648 40 0 HFABRN CC(=O)N1CCc2c(=O)[nH]c([C@H]3CCCCN3C(=O)Cc3ccccc3F)nc2C1 ZINC000019018966 558837298 /nfs/dbraw/zinc/83/72/98/558837298.db2.gz KMOLERORGXLUAJ-LJQANCHMSA-N 0 0 412.465 2.522 40 0 HFABRN C[C@H](C(=O)N1CCN([C@@H](c2nccn2C)c2ccccc2)CC1)n1cc(Cl)cn1 ZINC000019079107 558838829 /nfs/dbraw/zinc/83/88/29/558838829.db2.gz XUMAJTGEWHUFHO-VQIMIIECSA-N 0 0 412.925 2.765 40 0 HFABRN C[C@H](C(=O)NCc1cccnc1)N1CC[C@@]2(CC(=O)c3ccccc3O2)CCC1=O ZINC000019080440 558839051 /nfs/dbraw/zinc/83/90/51/558839051.db2.gz JUJWBEOLXZNVGJ-WAIKUNEKSA-N 0 0 407.470 2.503 40 0 HFABRN CC(C)C(=O)N1CCC[C@H](c2cc(=O)[nH]c(C3CCN(C(=O)C4CC4)CC3)n2)C1 ZINC000019085466 558841195 /nfs/dbraw/zinc/84/11/95/558841195.db2.gz LGHSXCBGRCQGHK-KRWDZBQOSA-N 0 0 400.523 2.660 40 0 HFABRN CN(c1ccc(OCC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1)S(C)(=O)=O ZINC000047363144 558842165 /nfs/dbraw/zinc/84/21/65/558842165.db2.gz VAZTUUNZRJGTSQ-UHFFFAOYSA-N 0 0 418.393 2.999 40 0 HFABRN Cc1cc2[nH]c(C[C@H](NC(=O)c3cnc(C)cn3)c3ccc(F)cc3)cc(=O)n2n1 ZINC000019129902 558845217 /nfs/dbraw/zinc/84/52/17/558845217.db2.gz OHBMYXGXKOPFBL-KRWDZBQOSA-N 0 0 406.421 2.695 40 0 HFABRN Cc1nc(O)cc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccc(C)n(C)c2=O)n1 ZINC000019131729 558845517 /nfs/dbraw/zinc/84/55/17/558845517.db2.gz MFAZKUWXPREQDT-LJQANCHMSA-N 0 0 417.469 2.693 40 0 HFABRN Cc1ccc(C(=O)N2CCC[C@H](C(=O)c3cnn(-c4ccc(F)cc4)c3N)C2)c(=O)[nH]1 ZINC000019134601 558845890 /nfs/dbraw/zinc/84/58/90/558845890.db2.gz SEBKBXBYWIQQON-AWEZNQCLSA-N 0 0 423.448 2.738 40 0 HFABRN c1ccc(CNN2CN(NCc3ccccc3)CN(NCc3ccccc3)C2)cc1 ZINC000019169773 558847407 /nfs/dbraw/zinc/84/74/07/558847407.db2.gz LSFJESXXROXEFH-UHFFFAOYSA-N 0 0 402.546 2.893 40 0 HFABRN Cc1ccc(-c2cccc(C[C@@]3(C(N)=O)CN(C(=O)c4cccnc4)CCO3)c2)cc1 ZINC000019212752 558848887 /nfs/dbraw/zinc/84/88/87/558848887.db2.gz OWMNFGDZILWSME-VWLOTQADSA-N 0 0 415.493 2.996 40 0 HFABRN Cc1ccc(-c2cccc(C[C@]3(C(N)=O)CN(C(=O)c4ccncc4)CCO3)c2)cc1 ZINC000019212766 558849038 /nfs/dbraw/zinc/84/90/38/558849038.db2.gz RFXYJTNARUHUAX-RUZDIDTESA-N 0 0 415.493 2.996 40 0 HFABRN Cc1ccc(-n2ncc3c2N(CC(=O)NC2CCCCC2)C(=O)N2CCN=C32)cc1 ZINC000019213425 558849140 /nfs/dbraw/zinc/84/91/40/558849140.db2.gz MTDALUARXZSWSM-UHFFFAOYSA-N 0 0 406.490 2.632 40 0 HFABRN Cc1ccc2c(c1)C(=O)C[C@H]([C@H]1CCCN(C(=O)c3nc4nc(C)cc(C)n4n3)C1)O2 ZINC000019218040 558850994 /nfs/dbraw/zinc/85/09/94/558850994.db2.gz AKZCSTXZRBJCON-OXJNMPFZSA-N 0 0 419.485 2.936 40 0 HFABRN CC(=O)N1CCC(N(CCN2CCOCC2)C(=O)c2cc3cc(C)ccc3o2)CC1 ZINC000019221246 558851850 /nfs/dbraw/zinc/85/18/50/558851850.db2.gz 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Cc1nc2ccccc2n1C[C@H](C)C(=O)Nc1ccc2c(c1)CCN2S(C)(=O)=O ZINC000019286747 558860549 /nfs/dbraw/zinc/86/05/49/558860549.db2.gz YUUGFOSNNWRBGN-AWEZNQCLSA-N 0 0 412.515 2.942 40 0 HFABRN Cc1ncc(-c2ccccn2)c(CN(C)S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)n1 ZINC000019286981 558860725 /nfs/dbraw/zinc/86/07/25/558860725.db2.gz HPUOZCXFZALWAI-UHFFFAOYSA-N 0 0 411.443 2.515 40 0 HFABRN C[C@@H](NS(=O)(=O)c1ccc(N2CCCC2=O)cc1)c1ccc2c(c1)OCCO2 ZINC000052781898 558861125 /nfs/dbraw/zinc/86/11/25/558861125.db2.gz GTHXFOPYMYBNNC-CQSZACIVSA-N 0 0 402.472 2.624 40 0 HFABRN Cc1nccn1CCCC(=O)N1CCC[C@H]1C(=O)c1cnn(-c2ccc(F)cc2)c1N ZINC000019288094 558861206 /nfs/dbraw/zinc/86/12/06/558861206.db2.gz ZPIUKDYRPQRQLI-IBGZPJMESA-N 0 0 424.480 2.753 40 0 HFABRN Cc1nccn1CC1(O)CCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3C(C)C)C2)CC1 ZINC000019287826 558861257 /nfs/dbraw/zinc/86/12/57/558861257.db2.gz SHXPCIQNDIHQSD-LJQANCHMSA-N 0 0 424.545 2.722 40 0 HFABRN Cn1nc(-c2ccc(F)cc2)cc1C(=O)N1CCN(C(=O)c2ccccc2F)CC1 ZINC000019288891 558861822 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/nfs/dbraw/zinc/45/81/16/568458116.db2.gz BPLJANZQSGKHFO-UHFFFAOYSA-N 0 0 418.515 2.808 40 0 HFABRN COc1ccc([C@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1 ZINC000216296656 568464199 /nfs/dbraw/zinc/46/41/99/568464199.db2.gz GLAOVMAEUDVVMR-INIZCTEOSA-N 0 0 418.515 2.516 40 0 HFABRN CCOC(=O)c1sc(NC(=S)NC(=O)c2ccc(OC)cc2OC)nc1C ZINC000021596046 568467821 /nfs/dbraw/zinc/46/78/21/568467821.db2.gz SPZFASNNDFDZQU-UHFFFAOYSA-N 0 0 409.489 2.772 40 0 HFABRN COC(=O)c1ccccc1NC(=O)CN(c1ccc(Cl)cc1C)S(C)(=O)=O ZINC000022273556 568477574 /nfs/dbraw/zinc/47/75/74/568477574.db2.gz PICHBIQRJXSBKZ-UHFFFAOYSA-N 0 0 410.879 2.840 40 0 HFABRN COCCNC(=O)CN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccc(C)cc1 ZINC000022277441 568477996 /nfs/dbraw/zinc/47/79/96/568477996.db2.gz CEUJYCTXHTWREJ-UHFFFAOYSA-N 0 0 410.923 2.915 40 0 HFABRN COc1ccc(OC)c(N([C@@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)S(C)(=O)=O)c1 ZINC000260588515 568485540 /nfs/dbraw/zinc/48/55/40/568485540.db2.gz KHCIJHNUDQPICD-KGLIPLIRSA-N 0 0 424.494 2.875 40 0 HFABRN O=C(CCSCc1ccccc1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000218993441 568485803 /nfs/dbraw/zinc/48/58/03/568485803.db2.gz WMEHPVQXSMIWNJ-UHFFFAOYSA-N 0 0 404.557 2.843 40 0 HFABRN CC[C@@H](C(=O)NCCCN(C)c1ccccc1)N(c1ccccc1)S(C)(=O)=O ZINC000219091128 568486725 /nfs/dbraw/zinc/48/67/25/568486725.db2.gz YRKCOSUAFMEAQZ-FQEVSTJZSA-N 0 0 403.548 2.874 40 0 HFABRN Cc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)Nc1ccccc1C(N)=O ZINC000219160129 568487569 /nfs/dbraw/zinc/48/75/69/568487569.db2.gz MCJRVSPOEMKTLM-UHFFFAOYSA-N 0 0 421.478 2.908 40 0 HFABRN COc1ccc([C@H]2NC(=S)N[C@@](O)(C(F)(F)F)C2=C(O)c2ccccc2)cc1 ZINC000007986595 568487896 /nfs/dbraw/zinc/48/78/96/568487896.db2.gz HJJKDLIBRIGVBH-DAYGRLMNSA-N 0 0 410.417 2.964 40 0 HFABRN CS(=O)(=O)Nc1ccc(C(=O)NCc2nc(-c3cccs3)no2)c(Cl)c1 ZINC000219287473 568488925 /nfs/dbraw/zinc/48/89/25/568488925.db2.gz YYLKPVIWLIKTGX-UHFFFAOYSA-N 0 0 412.880 2.753 40 0 HFABRN C[C@H](COc1ccccc1)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000055731971 568489146 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COc1cccc(NC(=O)[C@@H](C)N(c2ccc(OC)c(OC)c2)S(C)(=O)=O)c1 ZINC000220226520 568503699 /nfs/dbraw/zinc/50/36/99/568503699.db2.gz XCLKGMNBPRHSCH-CYBMUJFWSA-N 0 0 408.476 2.506 40 0 HFABRN C[C@@H](C(=O)NCCSCc1ccco1)N(c1ccccc1F)S(C)(=O)=O ZINC000220302367 568504493 /nfs/dbraw/zinc/50/44/93/568504493.db2.gz NNPXVXPXAGUZCK-ZDUSSCGKSA-N 0 0 400.497 2.623 40 0 HFABRN COc1ccccc1CCCNC(=O)[C@H](C)N(c1ccccc1F)S(C)(=O)=O ZINC000220313523 568504607 /nfs/dbraw/zinc/50/46/07/568504607.db2.gz QTVWWZROBCTLDL-HNNXBMFYSA-N 0 0 408.495 2.738 40 0 HFABRN COC(=O)c1ccc(NC(=O)[C@@H](C)N(c2cc(C)ccc2OC)S(C)(=O)=O)cc1 ZINC000220329834 568504666 /nfs/dbraw/zinc/50/46/66/568504666.db2.gz CDXJMOSTVXTJQF-CQSZACIVSA-N 0 0 420.487 2.583 40 0 HFABRN COc1ccc(CCNC(=O)[C@H](C)N(c2cc(C)ccc2OC)S(C)(=O)=O)cc1 ZINC000220332630 568504710 /nfs/dbraw/zinc/50/47/10/568504710.db2.gz XBZJOZVVHNFQLH-INIZCTEOSA-N 0 0 420.531 2.526 40 0 HFABRN CCOc1cccc(CNC(=O)[C@H](C)N(c2cc(C)ccc2OC)S(C)(=O)=O)c1 ZINC000220346172 568504930 /nfs/dbraw/zinc/50/49/30/568504930.db2.gz QZGGXNRPDIOLOU-INIZCTEOSA-N 0 0 420.531 2.873 40 0 HFABRN CCOc1ccc(CNC(=O)[C@@H](C)N(c2cc(C)ccc2OC)S(C)(=O)=O)cc1 ZINC000220345256 568504931 /nfs/dbraw/zinc/50/49/31/568504931.db2.gz BNIRITBAZHFMTI-MRXNPFEDSA-N 0 0 420.531 2.873 40 0 HFABRN CCOC(=O)c1ccc(NC(=O)[C@H](C)N(c2cccc(F)c2)S(C)(=O)=O)cc1 ZINC000220465939 568505961 /nfs/dbraw/zinc/50/59/61/568505961.db2.gz PAMCGKVFFQSADY-ZDUSSCGKSA-N 0 0 408.451 2.796 40 0 HFABRN C[C@@H](C(=O)NCCCN(C)c1ccccc1)N(c1cccc(F)c1)S(C)(=O)=O ZINC000220492230 568506090 /nfs/dbraw/zinc/50/60/90/568506090.db2.gz JOZPSMDUBNTNDQ-INIZCTEOSA-N 0 0 407.511 2.623 40 0 HFABRN CC[C@@H](C(=O)NCc1ccc2c(c1)OCO2)N(c1cccc(C)c1)S(C)(=O)=O ZINC000220509022 568506239 /nfs/dbraw/zinc/50/62/39/568506239.db2.gz YRISQEZPJGLZJH-KRWDZBQOSA-N 0 0 404.488 2.585 40 0 HFABRN CC[C@@H](C(=O)N1CCN(c2ccccc2)CC1)N(c1cccc(C)c1)S(C)(=O)=O ZINC000220499429 568506244 /nfs/dbraw/zinc/50/62/44/568506244.db2.gz XIYPIGVBJLOZIZ-NRFANRHFSA-N 0 0 415.559 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C[C@H](NC(=O)[C@H](C)N(c1cccc(F)c1)S(C)(=O)=O)c1ccc2c(c1)OCCO2 ZINC000260836426 568741094 /nfs/dbraw/zinc/74/10/94/568741094.db2.gz PJSICUVVBRBNPZ-KBPBESRZSA-N 0 0 422.478 2.629 40 0 HFABRN C[C@H](NC(=O)[C@H](C)N(c1ccccc1F)S(C)(=O)=O)c1ccc2c(c1)OCCO2 ZINC000260836445 568741112 /nfs/dbraw/zinc/74/11/12/568741112.db2.gz PRHXUBFBHXTQLO-KBPBESRZSA-N 0 0 422.478 2.629 40 0 HFABRN Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)N[C@H](C)c1ccc3c(c1)CCC3)O2 ZINC000260930950 568744942 /nfs/dbraw/zinc/74/49/42/568744942.db2.gz LLRRSDJOWGZQGJ-VFNWGFHPSA-N 0 0 414.527 2.888 40 0 HFABRN O=C(c1cccs1)N1CC[C@@]2(C1)COCc1cnc(NCC3CCOCC3)nc12 ZINC000247803890 568745602 /nfs/dbraw/zinc/74/56/02/568745602.db2.gz HMOUQFTYZTVAIN-OAQYLSRUSA-N 0 0 414.531 2.691 40 0 HFABRN O=C(Cc1ccccn1)N1CCO[C@H](c2cc(CCOc3ccccc3F)n[nH]2)C1 ZINC000257214236 568780201 /nfs/dbraw/zinc/78/02/01/568780201.db2.gz CLDVLQDLYJRIFZ-NRFANRHFSA-N 0 0 410.449 2.708 40 0 HFABRN O=C(CN1CCOCC1)N1CCC[C@H](c2ncc(Cc3cccc(Cl)c3)o2)C1 ZINC000257216480 568780822 /nfs/dbraw/zinc/78/08/22/568780822.db2.gz CUQUYIFUNCKVIC-KRWDZBQOSA-N 0 0 403.910 2.957 40 0 HFABRN Cc1cc(Cc2ccccc2Cl)cc([C@H]2CN(S(=O)(=O)N(C)C)CCO2)n1 ZINC000257237805 568786922 /nfs/dbraw/zinc/78/69/22/568786922.db2.gz HIGAQSQSCZHJEM-LJQANCHMSA-N 0 0 409.939 2.814 40 0 HFABRN Cc1cc(Cc2ccccc2Cl)cc([C@@H]2CN(S(=O)(=O)N(C)C)CCO2)n1 ZINC000257237804 568786938 /nfs/dbraw/zinc/78/69/38/568786938.db2.gz HIGAQSQSCZHJEM-IBGZPJMESA-N 0 0 409.939 2.814 40 0 HFABRN Cn1cc(CN2CCO[C@@H](c3cc(CCOc4ccc(F)c(F)c4)n[nH]3)C2)cn1 ZINC000257245903 568789191 /nfs/dbraw/zinc/78/91/91/568789191.db2.gz IRPBBBRCMKUVSH-HXUWFJFHSA-N 0 0 403.433 2.616 40 0 HFABRN Cc1cc(Nc2cccc([C@H]3CN(S(=O)(=O)C4CCCC4)CCO3)n2)nn1C ZINC000257251888 568790952 /nfs/dbraw/zinc/79/09/52/568790952.db2.gz JSSFIZIXZBWYIU-QGZVFWFLSA-N 0 0 405.524 2.513 40 0 HFABRN COc1cccc(Cc2cnc([C@@H]3CCCCN3S(=O)(=O)c3cn(C)cn3)o2)c1 ZINC000257253815 568791415 /nfs/dbraw/zinc/79/14/15/568791415.db2.gz KAJPTECOHMBIJH-SFHVURJKSA-N 0 0 416.503 2.923 40 0 HFABRN NC(=O)C[C@]1(COc2ccccc2)CCCN(S(=O)(=O)c2cc(F)cc(F)c2)C1 ZINC000257254754 568791603 /nfs/dbraw/zinc/79/16/03/568791603.db2.gz KENCDDIIPMJICL-HXUWFJFHSA-N 0 0 424.469 2.690 40 0 HFABRN Cc1cc(-c2ccccc2)cc([C@H]2CCCN(C(=O)CC[C@H]3NC(=O)NC3=O)C2)n1 ZINC000257260909 568793049 /nfs/dbraw/zinc/79/30/49/568793049.db2.gz LEZINUBYACJUHE-PKOBYXMFSA-N 0 0 406.486 2.751 40 0 HFABRN CC1(C)Oc2ccc(Cl)cc2[C@@H]2O[C@@H]3CCN(C(=O)[C@@H]([NH3+])CC(=O)[O-])C[C@@H]3C[C@H]21 ZINC000257271437 568796010 /nfs/dbraw/zinc/79/60/10/568796010.db2.gz MYIJIYZMBOBATP-NOJZPKSCSA-N 0 0 422.909 2.608 40 0 HFABRN Cc1noc(C)c1CCC(=O)NCc1cccc([C@@H]2NC(=O)N[C@H]3OCCC[C@@H]23)c1 ZINC000257274694 568796939 /nfs/dbraw/zinc/79/69/39/568796939.db2.gz NMEGUFGTAJEMGJ-JBACZVJFSA-N 0 0 412.490 2.647 40 0 HFABRN Cc1ncsc1C(=O)N1CCO[C@H](c2cccc(-c3ccc(C(N)=O)cc3)n2)C1 ZINC000257279333 568798329 /nfs/dbraw/zinc/79/83/29/568798329.db2.gz OGCRWOSVVXUXNN-SFHVURJKSA-N 0 0 408.483 2.826 40 0 HFABRN Cc1ncsc1C(=O)N1CCO[C@@H](c2cccc(-c3ccc(C(N)=O)cc3)n2)C1 ZINC000257279332 568798371 /nfs/dbraw/zinc/79/83/71/568798371.db2.gz OGCRWOSVVXUXNN-GOSISDBHSA-N 0 0 408.483 2.826 40 0 HFABRN O=C(CCn1ncc2c1CCCC2)N1CCO[C@H](c2cccc(-c3cn[nH]c3)n2)C1 ZINC000257283453 568799615 /nfs/dbraw/zinc/79/96/15/568799615.db2.gz OYKCWOPOVFIOOD-NRFANRHFSA-N 0 0 406.490 2.537 40 0 HFABRN Cc1cc(Cc2ccc(F)cc2)cc([C@@H]2CN(S(=O)(=O)N3CCCC3)CCO2)n1 ZINC000257288532 568801017 /nfs/dbraw/zinc/80/10/17/568801017.db2.gz PUOLOVPCSCHNDP-NRFANRHFSA-N 0 0 419.522 2.834 40 0 HFABRN O=C(CNC(=O)c1cncc(O)c1)N1CCC[C@H]1c1ncc(Cc2ccc(F)cc2)o1 ZINC000257289740 568801475 /nfs/dbraw/zinc/80/14/75/568801475.db2.gz PZZJOKLQTSPSOR-IBGZPJMESA-N 0 0 424.432 2.599 40 0 HFABRN O=C(c1ccnc(N2CCOCC2)c1)N1CCOC[C@@H](Cc2cccc3occc32)C1 ZINC000257291073 568801809 /nfs/dbraw/zinc/80/18/09/568801809.db2.gz QFMZPZWCMMWDOM-SFHVURJKSA-N 0 0 421.497 2.996 40 0 HFABRN O=C(Cn1ccc(=O)[nH]c1=O)N1CCC[C@@H]1c1ncc(Cc2cccc(Cl)c2)o1 ZINC000257291579 568802057 /nfs/dbraw/zinc/80/20/57/568802057.db2.gz QHPRRWQUUBGCBU-MRXNPFEDSA-N 0 0 414.849 2.545 40 0 HFABRN COc1cccc(Cc2cnc([C@H]3CCCCN3C(=O)Cn3nc(C)ccc3=O)o2)c1 ZINC000257295770 568803080 /nfs/dbraw/zinc/80/30/80/568803080.db2.gz QZTIBSMADATKQQ-HXUWFJFHSA-N 0 0 422.485 2.893 40 0 HFABRN O=C(COCCN1CCCC1=O)N1CCC[C@H](c2cccc(Nc3ccccn3)n2)C1 ZINC000257296447 568803440 /nfs/dbraw/zinc/80/34/40/568803440.db2.gz RCWSCPJZGLVBKU-SFHVURJKSA-N 0 0 423.517 2.565 40 0 HFABRN COc1ccc(NC(=O)CN2CCO[C@H](c3cccc(Nc4cnccn4)n3)C2)cc1 ZINC000257303737 568805731 /nfs/dbraw/zinc/80/57/31/568805731.db2.gz SILZDCWOZPVMOR-IBGZPJMESA-N 0 0 420.473 2.636 40 0 HFABRN CS(=O)(=O)N1CCC(Cc2ccnc(N3CC4(CCCCC4)OC3=O)c2)CC1 ZINC000257310363 568807286 /nfs/dbraw/zinc/80/72/86/568807286.db2.gz UEUNJLADRXPDAN-UHFFFAOYSA-N 0 0 407.536 2.955 40 0 HFABRN NC(=O)C[C@@]1(COc2ccccc2)CCCN(S(=O)(=O)c2c(F)cccc2F)C1 ZINC000257314099 568808550 /nfs/dbraw/zinc/80/85/50/568808550.db2.gz UVHMYDLDMMJFEK-FQEVSTJZSA-N 0 0 424.469 2.690 40 0 HFABRN CCCNC(=O)Cc1c(C)nc([C@@H]2CCN(C(=O)c3ccccc3OC)C2)nc1C ZINC000257318447 568809777 /nfs/dbraw/zinc/80/97/77/568809777.db2.gz VNYFPXKZSVOIHG-QGZVFWFLSA-N 0 0 410.518 2.800 40 0 HFABRN O=C(CCc1ccc(F)cc1)N1CCC2(CC1)C[C@@H](O)[C@H](c1ccccc1)NC2=O ZINC000257318265 568809888 /nfs/dbraw/zinc/80/98/88/568809888.db2.gz VNDXWIVPOQBKBI-IRLDBZIGSA-N 0 0 410.489 2.989 40 0 HFABRN CN1CCN(C(=O)C[C@]2(COc3ccccc3)CCCN(C(=O)C(C)(C)C)C2)CC1 ZINC000257321401 568810898 /nfs/dbraw/zinc/81/08/98/568810898.db2.gz WBMYDSXJLIWZFE-XMMPIXPASA-N 0 0 415.578 2.884 40 0 HFABRN COc1ccccc1Cc1cnc([C@H]2CCCN(C(=O)c3cc(C)nc(N)n3)C2)o1 ZINC000257321891 568811105 /nfs/dbraw/zinc/81/11/05/568811105.db2.gz WDSPFLLWSIUUJY-INIZCTEOSA-N 0 0 407.474 2.974 40 0 HFABRN CNc1nc([C@@H]2CCN(C(C)=O)C2)nc2c1CN(Cc1ccc(C)cc1OC)CC2 ZINC000257331344 568813481 /nfs/dbraw/zinc/81/34/81/568813481.db2.gz XSLRLMCDPRVKPR-GOSISDBHSA-N 0 0 409.534 2.729 40 0 HFABRN CCc1onc(C)c1-c1cccc([C@@H]2CN(C(=O)c3cnn4cccnc34)CCO2)n1 ZINC000257337966 568815361 /nfs/dbraw/zinc/81/53/61/568815361.db2.gz YVGGTQGAMMZTDP-IBGZPJMESA-N 0 0 418.457 2.864 40 0 HFABRN Cc1nc([C@H]2CCN(CC(=O)N3CCCC3)C2)nc2c1CCC(=O)N2CCC(C)C ZINC000257340056 568815983 /nfs/dbraw/zinc/81/59/83/568815983.db2.gz ZEHBOKOGOBQQLF-SFHVURJKSA-N 0 0 413.566 2.522 40 0 HFABRN COc1ccc(C(=O)N2CC[C@H](Oc3ccc(F)cc3)[C@@H](CC(N)=O)C2)cc1F ZINC000257340941 568816183 /nfs/dbraw/zinc/81/61/83/568816183.db2.gz ZIFNYWVDXOIUFN-KSSFIOAISA-N 0 0 404.413 2.759 40 0 HFABRN Cc1cc(N2CCC[C@@](O)(CN(C)C(=O)c3ccc4c(c3)ncn4C(C)C)C2)ncn1 ZINC000257342241 568816883 /nfs/dbraw/zinc/81/68/83/568816883.db2.gz ZNSYYIMMMDXJFU-HSZRJFAPSA-N 0 0 422.533 2.819 40 0 HFABRN O=C(CN1CCOCC1)N1CCC[C@@H](c2ncc(Cc3ccccc3Cl)o2)C1 ZINC000257343907 568817124 /nfs/dbraw/zinc/81/71/24/568817124.db2.gz ZUWNVXKEMNHQRG-QGZVFWFLSA-N 0 0 403.910 2.957 40 0 HFABRN COCCN1CCC[C@]2(CN(C(=O)c3ccco3)C[C@H]2c2ccnn2C(C)C)C1=O ZINC000306124306 568887291 /nfs/dbraw/zinc/88/72/91/568887291.db2.gz BMJHKFFBKVCQFY-HTAPYJJXSA-N 0 0 414.506 2.552 40 0 HFABRN Cn1cc(CN2CCN(CC3CC3)[C@@H](c3cn4c(cccc4N4CCCC4)n3)C2)cn1 ZINC000306125224 568887894 /nfs/dbraw/zinc/88/78/94/568887894.db2.gz CJVRHSREYFXHJK-JOCHJYFZSA-N 0 0 419.577 2.937 40 0 HFABRN COc1ncccc1-c1ccc2c(c1)[C@H]1CN(Cc3cccnc3)C[C@@H]1S2(=O)=O ZINC000306132329 568894507 /nfs/dbraw/zinc/89/45/07/568894507.db2.gz LFGRRUVVCLVTHE-CTNGQTDRSA-N 0 0 407.495 2.908 40 0 HFABRN Cn1ccc(C(=O)N2CCN(c3cnn4ccc(-c5ccc(F)cc5)cc34)CC2)n1 ZINC000306133855 568895847 /nfs/dbraw/zinc/89/58/47/568895847.db2.gz MXVZIVYVPIRGNT-UHFFFAOYSA-N 0 0 404.449 2.836 40 0 HFABRN CCC(CC)C(=O)N1C[C@@H]2CCn3c(C(=O)NCc4ccc(F)cc4)nnc3[C@H]2C1 ZINC000306134232 568896347 /nfs/dbraw/zinc/89/63/47/568896347.db2.gz NGJLZONJYMBXJH-WMZOPIPTSA-N 0 0 413.497 2.729 40 0 HFABRN COc1ccc(CN2C[C@H]3c4cc(-c5cnn(C)c5)ccc4S(=O)(=O)[C@@H]3C2)cc1 ZINC000306141356 568903001 /nfs/dbraw/zinc/90/30/01/568903001.db2.gz VSZJKGBAWHKZKO-RBBKRZOGSA-N 0 0 409.511 2.851 40 0 HFABRN Cc1nc2c(n1C(C)C)CN(Cc1ccco1)CC21CCN(S(C)(=O)=O)CC1 ZINC000306142857 568904458 /nfs/dbraw/zinc/90/44/58/568904458.db2.gz XMQBERXKUZDVAQ-UHFFFAOYSA-N 0 0 406.552 2.674 40 0 HFABRN CCOC(=O)C1(C(=O)OCC)[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218370297 568929985 /nfs/dbraw/zinc/92/99/85/568929985.db2.gz DUEYCXSBDKSWDM-MSOLQXFVSA-N 0 0 420.458 2.878 40 0 HFABRN CC(C)[C@H](NC(=O)c1ccccc1NC(=O)c1ccccc1)C(=O)N1CCOCC1 ZINC000005294696 568935683 /nfs/dbraw/zinc/93/56/83/568935683.db2.gz WQVKOFDJVBJTKS-FQEVSTJZSA-N 0 0 409.486 2.552 40 0 HFABRN COc1ccc([C@H]2c3c(-c4cccs4)n[nH]c(=O)c3Nc3nnnn32)c(OC)c1 ZINC000010297738 568941010 /nfs/dbraw/zinc/94/10/10/568941010.db2.gz LBOSDEFHZDAZJC-INIZCTEOSA-N 0 0 409.431 2.609 40 0 HFABRN C[C@@H](CO)Nc1nc(Nc2ccccc2Br)cc(-c2ccccn2)n1 ZINC000328995147 568971769 /nfs/dbraw/zinc/97/17/69/568971769.db2.gz JGSQAJAGTBATKL-LBPRGKRZSA-N 0 0 400.280 2.681 40 0 HFABRN C[C@@H](CO)Nc1nc(Nc2ccc(F)cc2Br)cc(C(F)(F)F)n1 ZINC000329009726 568972406 /nfs/dbraw/zinc/97/24/06/568972406.db2.gz LXXLLLPWZVAKAN-ZETCQYMHSA-N 0 0 409.181 2.777 40 0 HFABRN C[C@H](CO)Nc1nc(Nc2ccc(F)cc2Br)cc(C(F)(F)F)n1 ZINC000329009725 568972412 /nfs/dbraw/zinc/97/24/12/568972412.db2.gz LXXLLLPWZVAKAN-SSDOTTSWSA-N 0 0 409.181 2.777 40 0 HFABRN OCCCNc1nc(Nc2ccc(Br)cc2F)cc(-c2cccnc2)n1 ZINC000329016442 568972760 /nfs/dbraw/zinc/97/27/60/568972760.db2.gz NGNRUBFZIXFHGF-UHFFFAOYSA-N 0 0 418.270 2.822 40 0 HFABRN OCCCNc1nc(NCc2cccc(Br)c2)cc(-c2ccncc2)n1 ZINC000329054803 568974910 /nfs/dbraw/zinc/97/49/10/568974910.db2.gz VLNWFRJBJZTDAB-UHFFFAOYSA-N 0 0 414.307 2.551 40 0 HFABRN OCCCNc1nc(NCc2ccccc2Br)cc(-c2ccncc2)n1 ZINC000329069687 568975724 /nfs/dbraw/zinc/97/57/24/568975724.db2.gz YZNPWLJUNRYJQM-UHFFFAOYSA-N 0 0 414.307 2.551 40 0 HFABRN C[C@@H](CO)Nc1nc(Nc2cccc(OC(F)(F)F)c2)cc(-c2ccccn2)n1 ZINC000329071433 568975788 /nfs/dbraw/zinc/97/57/88/568975788.db2.gz ZPRSIAYEDUKDAX-LBPRGKRZSA-N 0 0 405.380 2.817 40 0 HFABRN COC(=O)c1ccc(NS(=O)(=O)c2ccc(I)cc2)cc1 ZINC000035220522 569014125 /nfs/dbraw/zinc/01/41/25/569014125.db2.gz WIYGGYMBNOIZBE-UHFFFAOYSA-N 0 0 417.224 2.879 40 0 HFABRN COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCC(C)C)C2)cc1Cl ZINC000001363968 569023819 /nfs/dbraw/zinc/02/38/19/569023819.db2.gz SDRVHRUCMSUWOF-AWEZNQCLSA-N 0 0 402.944 2.912 40 0 HFABRN O=S(=O)(c1cccc2cccnc21)N(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000575426008 569027111 /nfs/dbraw/zinc/02/71/11/569027111.db2.gz KJQPZWCAYDBIPS-SFHVURJKSA-N 0 0 416.524 2.613 40 0 HFABRN CC(C)C(=O)N1CCc2cc(-c3csc(NC(=O)CN4CCOCC4)n3)ccc21 ZINC000026441405 569041329 /nfs/dbraw/zinc/04/13/29/569041329.db2.gz VSOGOJQOCROSGD-UHFFFAOYSA-N 0 0 414.531 2.626 40 0 HFABRN O=C(NCc1ccc2c(c1)OCO2)c1cc(-n2cnnc2)ccc1Br ZINC000035684190 569049134 /nfs/dbraw/zinc/04/91/34/569049134.db2.gz CHYASPKUUJKWBY-UHFFFAOYSA-N 0 0 401.220 2.689 40 0 HFABRN COc1cc(C[C@H]2C(=O)OC[C@@H]2C(=O)c2ccc3c(c2)OCO3)cc(OC)c1OC ZINC000001666337 569143807 /nfs/dbraw/zinc/14/38/07/569143807.db2.gz LJUBRCYIPBWVON-CABCVRRESA-N 0 0 414.410 2.656 40 0 HFABRN 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COc1ccc(C)cc1N(CC(=O)NCc1cccc(OC(C)C)c1)S(C)(=O)=O ZINC000022336173 558481331 /nfs/dbraw/zinc/48/13/31/558481331.db2.gz OBSLKBSCDTZMFY-UHFFFAOYSA-N 0 0 420.531 2.873 40 0 HFABRN COc1ccc(CCCNC(=O)CN(c2cc(C)ccc2OC)S(C)(=O)=O)cc1 ZINC000022336213 558481348 /nfs/dbraw/zinc/48/13/48/558481348.db2.gz MYVRYPRMGJTSHF-UHFFFAOYSA-N 0 0 420.531 2.527 40 0 HFABRN Cc1ccc(OCCNC(=O)CN(c2ccc(C)c(Cl)c2)S(C)(=O)=O)cc1 ZINC000022337573 558481881 /nfs/dbraw/zinc/48/18/81/558481881.db2.gz QDEIFAGXOPIFGB-UHFFFAOYSA-N 0 0 410.923 2.918 40 0 HFABRN CC[C@@H](NC(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O)c1ccc(OC)cc1 ZINC000022366787 558483688 /nfs/dbraw/zinc/48/36/88/558483688.db2.gz OLGDRLADLMXZJU-HXUWFJFHSA-N 0 0 418.515 2.931 40 0 HFABRN COc1ccc(CCNC(=O)CN(c2c(C)cc(C)cc2C)S(C)(=O)=O)cc1 ZINC000022385957 558485237 /nfs/dbraw/zinc/48/52/37/558485237.db2.gz XZOVURUVKFZGBR-UHFFFAOYSA-N 0 0 404.532 2.745 40 0 HFABRN CC(C)c1ccccc1N(CC(=O)Nc1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000022389882 558486014 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558577314 /nfs/dbraw/zinc/57/73/14/558577314.db2.gz KIDKZAHIJMBAIQ-HXUWFJFHSA-N 0 0 404.532 2.907 40 0 HFABRN CC[C@@H](C(=O)Nc1ccccc1C(=O)OC)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000013715249 558578748 /nfs/dbraw/zinc/57/87/48/558578748.db2.gz PGLLRSWYHIQAJG-KRWDZBQOSA-N 0 0 408.451 2.796 40 0 HFABRN CC[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000013715595 558578898 /nfs/dbraw/zinc/57/88/98/558578898.db2.gz QEPHGKDLWUJISQ-INIZCTEOSA-N 0 0 408.451 2.780 40 0 HFABRN CC[C@H](C(=O)Nc1ccc2c(c1)OCCO2)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000013715593 558578916 /nfs/dbraw/zinc/57/89/16/558578916.db2.gz QEPHGKDLWUJISQ-MRXNPFEDSA-N 0 0 408.451 2.780 40 0 HFABRN CC[C@H](C)n1c(C)c(C)n2c1nc1c2c(=O)n(CC(=O)c2ccccc2)c(=O)n1C ZINC000023989627 558583447 /nfs/dbraw/zinc/58/34/47/558583447.db2.gz XUTBVKPNGUDKRS-ZDUSSCGKSA-N 0 0 407.474 2.620 40 0 HFABRN Cc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCN(C)CC3)c2)cc1Cl ZINC000014428798 558654681 /nfs/dbraw/zinc/65/46/81/558654681.db2.gz BTZJXUKQFGLXBG-UHFFFAOYSA-N 0 0 407.923 2.837 40 0 HFABRN CCOC(=O)c1sc(NC(=O)CSc2nnnn2C2CCCCC2)nc1C ZINC000014944465 558679742 /nfs/dbraw/zinc/67/97/42/558679742.db2.gz UXDOBWJXWIEXGP-UHFFFAOYSA-N 0 0 410.525 2.851 40 0 HFABRN COCCCNC(=O)c1ccccc1NC(=O)c1cccc(CN2CCOCC2)c1 ZINC000030752325 558736297 /nfs/dbraw/zinc/73/62/97/558736297.db2.gz KOVJYVSAANARHI-UHFFFAOYSA-N 0 0 411.502 2.537 40 0 HFABRN O=C(C1CCN(S(=O)(=O)Cc2ccc(Br)cc2)CC1)N1CCCC1 ZINC000030847368 558739336 /nfs/dbraw/zinc/73/93/36/558739336.db2.gz OVURQYGEWXXRBI-UHFFFAOYSA-N 0 0 415.353 2.613 40 0 HFABRN Cc1ccc(CCCNC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)N(C)C)cc1 ZINC000030860221 558741616 /nfs/dbraw/zinc/74/16/16/558741616.db2.gz PKEUERNBUAXPNE-UHFFFAOYSA-N 0 0 417.575 2.974 40 0 HFABRN COc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3cccc(C)c3)CC2)cc1 ZINC000031108279 558748339 /nfs/dbraw/zinc/74/83/39/558748339.db2.gz ZSPNZXUPOISYSO-UHFFFAOYSA-N 0 0 402.516 2.721 40 0 HFABRN COc1ccccc1[C@@H](C)NC(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 ZINC000015967108 558764367 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/nfs/dbraw/zinc/83/72/93/558837293.db2.gz NBQZHPNBKWSDIY-FQEVSTJZSA-N 0 0 408.502 2.773 40 0 HFABRN CC(=O)N1CCc2c(nc([C@@H]3CCCN(C(=O)C4CC4)C3)nc2-c2ccncc2)C1 ZINC000019019149 558837410 /nfs/dbraw/zinc/83/74/10/558837410.db2.gz OYIBPCLDVAWYPK-GOSISDBHSA-N 0 0 405.502 2.559 40 0 HFABRN COc1ccccc1C(=O)N1CCC(O)(Cn2ncc3cc(NC(C)=O)ccc32)CC1 ZINC000019022741 558838162 /nfs/dbraw/zinc/83/81/62/558838162.db2.gz ZHPBLVGNHMIGSZ-UHFFFAOYSA-N 0 0 422.485 2.671 40 0 HFABRN CC(=O)Nc1ccc2cnn(CC3(O)CCN(C(=O)Cc4cccc(F)c4)CC3)c2c1 ZINC000019022783 558838217 /nfs/dbraw/zinc/83/82/17/558838217.db2.gz HNQBOWVELDVNKC-UHFFFAOYSA-N 0 0 424.476 2.730 40 0 HFABRN C[C@H](C(=O)NCCn1nc(-c2ccc(F)cc2)cc1-c1cccnc1)N1CCCC1=O ZINC000019080265 558839123 /nfs/dbraw/zinc/83/91/23/558839123.db2.gz NDGMWGXBVMLFAB-MRXNPFEDSA-N 0 0 421.476 2.878 40 0 HFABRN CC(C)C(=O)N1CCC[C@@H](c2nc3c(c(=O)[nH]2)CN(C(=O)c2cccs2)CC3)C1 ZINC000019085533 558841241 /nfs/dbraw/zinc/84/12/41/558841241.db2.gz MWTQWPLNKMBHSU-CQSZACIVSA-N 0 0 414.531 2.804 40 0 HFABRN COc1ccc(C(=O)N2CCC[C@@H]2c2nc(N(C)C)ncc2-c2cc(C)no2)cn1 ZINC000019122474 558843693 /nfs/dbraw/zinc/84/36/93/558843693.db2.gz IPQRLEVJLYGGGR-MRXNPFEDSA-N 0 0 408.462 2.887 40 0 HFABRN Cc1cc2ccccc2n2c(=O)n(CCNC(=O)[C@]34CC[C@](C)(C(=O)C3)C4(C)C)nc12 ZINC000019126944 558844723 /nfs/dbraw/zinc/84/47/23/558844723.db2.gz KKUSCHLLESCQTC-RPWUZVMVSA-N 0 0 420.513 2.859 40 0 HFABRN Cc1ccc(=O)n(CC(=O)N2CCC[C@H](c3nc(C)cc(-c4cccs4)n3)C2)n1 ZINC000019131017 558845350 /nfs/dbraw/zinc/84/53/50/558845350.db2.gz CCAQFYJJYQAMSA-INIZCTEOSA-N 0 0 409.515 2.785 40 0 HFABRN Cc1ccc(S(=O)(=O)CCC(=O)NCCc2nc(C)ncc2-c2ccncc2)cc1 ZINC000019211110 558848334 /nfs/dbraw/zinc/84/83/34/558848334.db2.gz BTNXSDYRAWISJJ-UHFFFAOYSA-N 0 0 424.526 2.678 40 0 HFABRN Cc1ccc(O[C@@H](C)C(=O)N2CC[C@H](c3cc(=O)[nH]c(-c4ccccn4)n3)C2)cc1 ZINC000019210792 558848345 /nfs/dbraw/zinc/84/83/45/558848345.db2.gz HMOVZALOICYRHC-IRXDYDNUSA-N 0 0 404.470 2.924 40 0 HFABRN COc1cccc(-c2noc([C@@H]3CN(C(=O)c4cn5ccc(C)cc5n4)CCO3)n2)c1 ZINC000019238182 558857303 /nfs/dbraw/zinc/85/73/03/558857303.db2.gz PKKXPSKKEMPDNF-SFHVURJKSA-N 0 0 419.441 2.915 40 0 HFABRN Cc1cnc2c(C(=O)N3CCC[C@]4(CCC(=O)N4)[C@H]3c3ccc(F)cc3)cnn2c1 ZINC000019239318 558858121 /nfs/dbraw/zinc/85/81/21/558858121.db2.gz JAFGLMOYFKKKSA-KNQAVFIVSA-N 0 0 407.449 2.803 40 0 HFABRN Cc1nc(C[C@@H](NS(=O)(=O)c2ccc(F)cc2)c2ccc(F)cc2)cc(=O)[nH]1 ZINC000019285398 558859968 /nfs/dbraw/zinc/85/99/68/558859968.db2.gz BXKMNGVMNUAMST-GOSISDBHSA-N 0 0 405.426 2.619 40 0 HFABRN COc1ccccc1N1C[C@H](NC(=O)[C@H](C)Cn2c(C)nc3ccccc32)CC1=O ZINC000019286737 558860571 /nfs/dbraw/zinc/86/05/71/558860571.db2.gz GWOAQSDJCXGQAQ-NVXWUHKLSA-N 0 0 406.486 2.911 40 0 HFABRN COc1ccc(S(=O)(=O)N(C)Cc2nc(C)ncc2-c2ccccn2)cc1F ZINC000019286975 558860720 /nfs/dbraw/zinc/86/07/20/558860720.db2.gz SQUNAQDYLGBFGZ-UHFFFAOYSA-N 0 0 402.451 2.815 40 0 HFABRN COc1cccc(C(=O)N2CCCC[C@H]3CN(Cc4cnc(C)nc4)C[C@H]32)c1OC ZINC000019287261 558860866 /nfs/dbraw/zinc/86/08/66/558860866.db2.gz HJXPVZCYAWBZTM-AZUAARDMSA-N 0 0 410.518 2.929 40 0 HFABRN Cn1cc(-c2ccnc(N3CCCC3)n2)c([C@@H]2CCCN(C(=O)[C@H]3CCCCO3)C2)n1 ZINC000019290110 558862477 /nfs/dbraw/zinc/86/24/77/558862477.db2.gz BPVOBICEXPNYCX-YLJYHZDGSA-N 0 0 424.549 2.752 40 0 HFABRN Cn1cc(-c2ccnc(N3CCCC3)n2)c([C@H]2CCCN2C(=O)C[C@@H]2CCCO2)n1 ZINC000019290207 558862731 /nfs/dbraw/zinc/86/27/31/558862731.db2.gz QCNCLXWQIZOZCV-QFBILLFUSA-N 0 0 410.522 2.710 40 0 HFABRN Cn1ccc(C(=O)N2CCC(c3nc(NC4CC4)ncc3-c3ccccn3)CC2)n1 ZINC000019290888 558863408 /nfs/dbraw/zinc/86/34/08/558863408.db2.gz GSEMENFNFOODMY-UHFFFAOYSA-N 0 0 403.490 2.866 40 0 HFABRN O=C(Cn1cc(C(=O)c2ccc(F)cc2)c2ccnc(Cl)c21)N1CCOCC1 ZINC000019332261 558868723 /nfs/dbraw/zinc/86/87/23/558868723.db2.gz HMZPISCDRSPPRZ-UHFFFAOYSA-N 0 0 401.825 2.919 40 0 HFABRN O=C(NC1CCCCC1)c1cc([C@H]2CCCN(S(=O)(=O)c3cccnc3)C2)no1 ZINC000019339925 558871388 /nfs/dbraw/zinc/87/13/88/558871388.db2.gz NMNXHVCDQQOPOP-HNNXBMFYSA-N 0 0 418.519 2.700 40 0 HFABRN O=C(c1cn[nH]n1)N1CCc2nc(-c3cccnc3)nc(Oc3ccc(F)cc3)c2C1 ZINC000019341235 558871834 /nfs/dbraw/zinc/87/18/34/558871834.db2.gz VAZYTMXKUNUUDH-UHFFFAOYSA-N 0 0 417.404 2.787 40 0 HFABRN O=C(c1cnn2cccnc12)N1CCC[C@H](c2nc(-c3cccs3)cc(=O)[nH]2)C1 ZINC000019344383 558872937 /nfs/dbraw/zinc/87/29/37/558872937.db2.gz WSKGTJPIXUKTKW-ZDUSSCGKSA-N 0 0 406.471 2.561 40 0 HFABRN O=S(=O)(c1cccc2cccnc21)N1CCC[C@H](c2nnc(-c3cnccn3)o2)C1 ZINC000019347333 558873820 /nfs/dbraw/zinc/87/38/20/558873820.db2.gz GMOPBHNFKSSOPW-HNNXBMFYSA-N 0 0 422.470 2.643 40 0 HFABRN C[C@H](COc1ccccc1)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000055731964 558884303 /nfs/dbraw/zinc/88/43/03/558884303.db2.gz SFXGHHUYXWSNFO-QZTJIDSGSA-N 0 0 402.516 2.671 40 0 HFABRN O=C(c1cc(-c2ccncc2)c2cnccc2n1)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000019405590 558884834 /nfs/dbraw/zinc/88/48/34/558884834.db2.gz OFDSDXYJJYZWLC-SFHVURJKSA-N 0 0 403.486 2.629 40 0 HFABRN CC(C)NC(=O)[C@@H]1[C@@H]2C(=O)NN=C(c3ccccc3NC(=O)Cc3cccs3)[C@]12C ZINC000019450056 558888441 /nfs/dbraw/zinc/88/84/41/558888441.db2.gz ZOBOZIKATLENNQ-NJNPRVFISA-N 0 0 424.526 2.540 40 0 HFABRN CC(C)OCCN1CCN(C(=O)CC23C[C@H]4C[C@@H](C2)CC(n2cncn2)(C4)C3)CC1 ZINC000019450437 558888815 /nfs/dbraw/zinc/88/88/15/558888815.db2.gz DIKPKFQFACUQOP-QTBVYMFASA-N 0 0 415.582 2.533 40 0 HFABRN COc1ccc([C@@H](C)NC(=O)[C@@H]2[C@@H]3C(=O)Nc4ccccc4C(=O)[C@]23C)cc1OC ZINC000019458676 558892598 /nfs/dbraw/zinc/89/25/98/558892598.db2.gz BGRYOKPWGBYWSZ-VOFVBRNGSA-N 0 0 408.454 2.968 40 0 HFABRN COc1ccc([C@H](C)NC(=O)[C@@H]2[C@@H]3C(=O)Nc4ccccc4C(=O)[C@]23C)cc1OC ZINC000019458677 558892640 /nfs/dbraw/zinc/89/26/40/558892640.db2.gz BGRYOKPWGBYWSZ-YVALRORCSA-N 0 0 408.454 2.968 40 0 HFABRN CC(=O)N1CCc2c(nc([C@@H]3CCCCN3C(=O)[C@H](C)c3ccccc3)[nH]c2=O)C1 ZINC000019459270 558892963 /nfs/dbraw/zinc/89/29/63/558892963.db2.gz KPINWNCYSXVQQU-QRWLVFNGSA-N 0 0 408.502 2.532 40 0 HFABRN C[C@@H]1CCC[C@@H](C)N1C(=O)CN1c2c(cnn2-c2ccccc2)C2=NCCN2C1=O ZINC000019496062 558895002 /nfs/dbraw/zinc/89/50/02/558895002.db2.gz WOTVPAGHESPEKO-HZPDHXFCSA-N 0 0 406.490 2.664 40 0 HFABRN C[C@@H]1CN(C(=O)c2c[nH]nc2C2CCN(C(=O)CC3CCCC3)CC2)C[C@@H](C)O1 ZINC000019497286 558896103 /nfs/dbraw/zinc/89/61/03/558896103.db2.gz BDKIKSYPYQHEJN-HZPDHXFCSA-N 0 0 402.539 2.945 40 0 HFABRN C[C@@H]1CN(C(=O)c2c[nH]nc2C2CCN(C(=O)Cc3ccccc3)CC2)C[C@H](C)O1 ZINC000019497302 558896223 /nfs/dbraw/zinc/89/62/23/558896223.db2.gz ZHGSKTCQZABWDY-CALCHBBNSA-N 0 0 410.518 2.608 40 0 HFABRN CCS(=O)(=O)c1ccccc1C(=O)Nc1nc2c(s1)CCc1c-2cnn1C ZINC000019520498 558901517 /nfs/dbraw/zinc/90/15/17/558901517.db2.gz PHGWLTNKTCZDPA-UHFFFAOYSA-N 0 0 402.501 2.688 40 0 HFABRN CCc1nccn1CC1(O)CCN(C(=O)[C@H]2CCCN2Cc2cccc(F)c2)CC1 ZINC000019523607 558904670 /nfs/dbraw/zinc/90/46/70/558904670.db2.gz JRHUKKSITQICQF-HXUWFJFHSA-N 0 0 414.525 2.603 40 0 HFABRN CCOc1cc(C)ccc1OCC(=O)N1CCO[C@H](c2nc(-c3cccnc3)no2)C1 ZINC000019532264 558912444 /nfs/dbraw/zinc/91/24/44/558912444.db2.gz YXZGVXAECHVYEP-IBGZPJMESA-N 0 0 424.457 2.818 40 0 HFABRN COc1ccccc1C(=O)N1[C@@H](C(=O)[O-])COC12CC[NH+](Cc1ccccc1)CC2 ZINC000071980649 558917321 /nfs/dbraw/zinc/91/73/21/558917321.db2.gz XRTBKZOHTZRTFR-LJQANCHMSA-N 0 0 410.470 2.613 40 0 HFABRN Cc1nn([C@H](C)CNS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)c(C)c1C ZINC000019556360 558918861 /nfs/dbraw/zinc/91/88/61/558918861.db2.gz ZSSYEUOXJYMCAK-CYBMUJFWSA-N 0 0 416.547 2.647 40 0 HFABRN COc1ccc([C@@H]2CN(C(=O)C3CCC3)[C@H]3CCN(C(=O)c4cnccn4)C[C@@H]23)cc1 ZINC000019557289 558919593 /nfs/dbraw/zinc/91/95/93/558919593.db2.gz DJUFEZQOGNBIBN-ONTIZHBOSA-N 0 0 420.513 2.742 40 0 HFABRN Cc1nc(-c2cccnc2)sc1C(=O)N1CCC(c2n[nH]cc2C(=O)N(C)C)CC1 ZINC000019561074 558921991 /nfs/dbraw/zinc/92/19/91/558921991.db2.gz UPWMRXHDAXBJRM-UHFFFAOYSA-N 0 0 424.530 2.958 40 0 HFABRN COc1ccc(C(=O)N2CCC[C@@H](C(=O)c3cnn(-c4ccccc4)c3N)C2)cn1 ZINC000019561833 558922663 /nfs/dbraw/zinc/92/26/63/558922663.db2.gz PLCNDPDAROVRSI-MRXNPFEDSA-N 0 0 405.458 2.593 40 0 HFABRN COc1ccc2c(c1)C[C@H]([C@@H]1CCCCN1C(=O)CCCN1CCCC1=O)C(=O)N2 ZINC000019562297 558922993 /nfs/dbraw/zinc/92/29/93/558922993.db2.gz RXOVLGLANFKNAP-QUCCMNQESA-N 0 0 413.518 2.590 40 0 HFABRN Cc1noc2nc([C@@H]3CCCN(C(=O)[C@H]4CC(=O)N(C)C4)C3)cc(C(F)(F)F)c12 ZINC000019563754 558923890 /nfs/dbraw/zinc/92/38/90/558923890.db2.gz ZXEREPMAPWOQIG-NEPJUHHUSA-N 0 0 410.396 2.734 40 0 HFABRN COc1cccc(C(=O)N2CCC[C@H]2c2nc(-c3cccnc3OC)cc(=O)[nH]2)c1 ZINC000019564481 558924480 /nfs/dbraw/zinc/92/44/80/558924480.db2.gz KKSDPNKZWCPMMK-SFHVURJKSA-N 0 0 406.442 2.826 40 0 HFABRN Cc1nn(-c2ccc(F)cc2)c2nc3c(cc12)CN(CCN1CCOCC1)C(=O)O3 ZINC000019565686 558925452 /nfs/dbraw/zinc/92/54/52/558925452.db2.gz MBAGSNZXWXJSHT-UHFFFAOYSA-N 0 0 411.437 2.515 40 0 HFABRN COc1cccc(-c2cccc(C[C@@H]3CN(C(=O)[C@H]4CCCO4)CCNC3=O)c2)c1 ZINC000019566655 558926283 /nfs/dbraw/zinc/92/62/83/558926283.db2.gz FSURWQOWZPOXTL-IFMALSPDSA-N 0 0 408.498 2.658 40 0 HFABRN 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Cc1nn(C)c(C)c1NC(=O)[C@@H](C)N1CC[C@@]2(CC(=O)c3ccccc3O2)CCC1=O ZINC000072327641 558934012 /nfs/dbraw/zinc/93/40/12/558934012.db2.gz GXGHRWLXOPHVCE-WAIKUNEKSA-N 0 0 424.501 2.781 40 0 HFABRN CN(C)C(=O)[C@@]1(Cc2cccc(-c3ccncc3)c2)CCN(C(=O)[C@H]2CCCO2)C1 ZINC000019579878 558935637 /nfs/dbraw/zinc/93/56/37/558935637.db2.gz DPBZFPFZPVJVMM-ZJSXRUAMSA-N 0 0 407.514 2.777 40 0 HFABRN COCCC(=O)N1CCO[C@](Cc2cccc(-c3ccccc3)c2)(C(=O)N(C)C)C1 ZINC000019580626 558936175 /nfs/dbraw/zinc/93/61/75/558936175.db2.gz GCBWQFNKBWLEQF-DEOSSOPVSA-N 0 0 410.514 2.618 40 0 HFABRN Cc1ccc2occ(CN3CCc4c(nc(N5CCC[C@H](C)C5)[nH]c4=O)C3)c(=O)c2c1 ZINC000072335610 558936744 /nfs/dbraw/zinc/93/67/44/558936744.db2.gz LOWPMQXJKZZFEU-INIZCTEOSA-N 0 0 420.513 2.979 40 0 HFABRN COc1ncccc1NC(=O)Cn1nc(-c2cccs2)c(-c2cc(C)no2)cc1=O ZINC000072337303 558937681 /nfs/dbraw/zinc/93/76/81/558937681.db2.gz MGASXZBXBOFVNY-UHFFFAOYSA-N 0 0 423.454 2.978 40 0 HFABRN COc1cccc([C@@H](NC(=O)c2cc(-c3cn(C)nc3C)no2)c2nccn2C)c1 ZINC000019584082 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Cc1cccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc4c(c3)OCCO4)C2=O)n1 ZINC000409200260 560692620 /nfs/dbraw/zinc/69/26/20/560692620.db2.gz RCCSYOPTWVTPGH-LICLKQGHSA-N 0 0 411.439 2.836 40 0 HFABRN CC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(C(=O)OC)cc2)cc1 ZINC000409201071 560692788 /nfs/dbraw/zinc/69/27/88/560692788.db2.gz NLQJXNOFLUNCQM-CQSZACIVSA-N 0 0 420.487 2.568 40 0 HFABRN COc1ccc(/C=C2\SC(=O)N(CC(=O)NC[C@@H]3CCCO3)C2=O)cc1Cl ZINC000409211043 560694987 /nfs/dbraw/zinc/69/49/87/560694987.db2.gz MABVFDMRCHNUHN-IYVNWDGISA-N 0 0 410.879 2.680 40 0 HFABRN COc1ccc(/C=C2\SC(=O)N(CC(=O)NC[C@H]3CCCO3)C2=O)cc1Cl ZINC000409211044 560695012 /nfs/dbraw/zinc/69/50/12/560695012.db2.gz MABVFDMRCHNUHN-PWDRSIHYSA-N 0 0 410.879 2.680 40 0 HFABRN CCCN1C(=O)N/C(=C/c2ccc(OCC)c(I)c2)C1=O ZINC000409222362 560698802 /nfs/dbraw/zinc/69/88/02/560698802.db2.gz WUUCAPDHXYFDJH-FMIVXFBMSA-N 0 0 400.216 2.993 40 0 HFABRN CCN1C(=O)N/C(=C/c2cc(Cl)c(OCC(=O)OC)c(Br)c2)C1=O ZINC000409237174 560699309 /nfs/dbraw/zinc/69/93/09/560699309.db2.gz JVDRRMPIIOXGKV-IZZDOVSWSA-N 0 0 417.643 2.567 40 0 HFABRN CCCN1C(=O)N/C(=C/c2ccc(OCC(=O)OCC)c(Br)c2)C1=O ZINC000409235643 560701125 /nfs/dbraw/zinc/70/11/25/560701125.db2.gz CPENUVNQVNLXAL-UKTHLTGXSA-N 0 0 411.252 2.694 40 0 HFABRN CCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1c3ccccc3C=NN1[C@@H]2C(=O)c1ccc(Cl)cc1 ZINC000100690728 560725803 /nfs/dbraw/zinc/72/58/03/560725803.db2.gz ZTGJOFZDWOHVRU-MKXGPGLRSA-N 0 0 407.857 2.917 40 0 HFABRN CCOc1ccc(NC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 ZINC000005558836 560738028 /nfs/dbraw/zinc/73/80/28/560738028.db2.gz BNIHDFJICAEUPJ-UHFFFAOYSA-N 0 0 418.515 2.678 40 0 HFABRN COc1cc(CN(C(=S)NC(=O)C(C)C)C2CCCCC2)ccc1OCC(N)=O ZINC000006325101 560741631 /nfs/dbraw/zinc/74/16/31/560741631.db2.gz QESGHPLNLJDRSA-UHFFFAOYSA-N 0 0 421.563 2.751 40 0 HFABRN CCCCCSC1=NC(=O)C2=c3cc(Br)ccc3=N[C@](C)(CC)N2N1 ZINC000588226765 560743247 /nfs/dbraw/zinc/74/32/47/560743247.db2.gz ZWZKEIGSGROTFE-SFHVURJKSA-N 0 0 423.380 2.943 40 0 HFABRN CCCNC(=O)c1ccccc1NC(=O)[C@@H](C)N(c1ccccc1)S(C)(=O)=O ZINC000006880003 560747636 /nfs/dbraw/zinc/74/76/36/560747636.db2.gz PWUAHMBGFWWIRM-OAHLLOKOSA-N 0 0 403.504 2.620 40 0 HFABRN CCCNS(=O)(=O)c1cc(C(=O)Nc2cccc(NC(C)=O)c2)ccc1OC ZINC000009063923 560757427 /nfs/dbraw/zinc/75/74/27/560757427.db2.gz YELWDWONKNYHCO-UHFFFAOYSA-N 0 0 405.476 2.594 40 0 HFABRN CCOC(=O)c1cccc(NC(=O)CN(c2cccc(C)c2)S(C)(=O)=O)c1C ZINC000010442671 560769331 /nfs/dbraw/zinc/76/93/31/560769331.db2.gz LKWQCKGNDKZUNF-UHFFFAOYSA-N 0 0 404.488 2.885 40 0 HFABRN CCOC(=O)c1ccc(C)c(NC(=O)[C@@H](C)N(c2ccccc2)S(C)(=O)=O)c1 ZINC000010444872 560769451 /nfs/dbraw/zinc/76/94/51/560769451.db2.gz NGQQIBHLCTZXHO-OAHLLOKOSA-N 0 0 404.488 2.965 40 0 HFABRN O=c1[nH]nc(-c2ccc(Br)cc2)c2c1Nc1nnnn1[C@H]2c1ccccn1 ZINC000111999837 560775216 /nfs/dbraw/zinc/77/52/16/560775216.db2.gz NQCPVEBFQSLUIN-HNNXBMFYSA-N 0 0 423.234 2.688 40 0 HFABRN CC(C)COC(=O)[C@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OCC(C)C)[C@@H]1c1ccc(O)cc1 ZINC000012660972 560783871 /nfs/dbraw/zinc/78/38/71/560783871.db2.gz FVYWGRKLKFZUCH-NVJIOZQYSA-N 0 0 420.502 2.830 40 0 HFABRN CC(C)(C)SCCNC(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O ZINC000113943502 560806855 /nfs/dbraw/zinc/80/68/55/560806855.db2.gz IMKRRTOIUFMYCF-UHFFFAOYSA-N 0 0 416.565 2.609 40 0 HFABRN COc1cccc(NC(=O)CCCN(c2ccc3c(c2)OCO3)S(C)(=O)=O)c1 ZINC000113943701 560806961 /nfs/dbraw/zinc/80/69/61/560806961.db2.gz VOIWOPFDVLKAJG-UHFFFAOYSA-N 0 0 406.460 2.609 40 0 HFABRN CC(=O)c1cccc(NC(=O)Cn2c3ccsc3c(=O)n(Cc3ccco3)c2=O)c1 ZINC000013533029 560812354 /nfs/dbraw/zinc/81/23/54/560812354.db2.gz FBRDMFUXQUTIRI-UHFFFAOYSA-N 0 0 423.450 2.707 40 0 HFABRN CCOC(=O)C1=C(CSc2nnc(C)s2)NC(=O)N[C@H]1c1ccccc1OC ZINC000013566269 560813687 /nfs/dbraw/zinc/81/36/87/560813687.db2.gz MJBDWQSWVQCPKY-HNNXBMFYSA-N 0 0 420.516 2.819 40 0 HFABRN COC(=O)c1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)N2CCCC2)c1 ZINC000013583086 560814852 /nfs/dbraw/zinc/81/48/52/560814852.db2.gz SSIXHZVWILDUOX-UHFFFAOYSA-N 0 0 402.472 2.818 40 0 HFABRN CCN(c1ccc(OCC(=O)NCCCOC)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000013585256 560815302 /nfs/dbraw/zinc/81/53/02/560815302.db2.gz GGNGAMLRIMTXRQ-UHFFFAOYSA-N 0 0 420.531 2.742 40 0 HFABRN CCOC(=O)C1C(C)=Nc2nc(SCC(=O)OC)nn2[C@@H]1c1cccc(F)c1 ZINC000014163464 560839394 /nfs/dbraw/zinc/83/93/94/560839394.db2.gz SIELZTCKWSTNCN-OAHLLOKOSA-N 0 0 406.439 2.534 40 0 HFABRN CCS(=O)(=O)N(CC(=O)Nc1ccccc1SC)c1ccc2c(c1)OCO2 ZINC000014396508 560841382 /nfs/dbraw/zinc/84/13/82/560841382.db2.gz UNCCSDWNALMUJT-UHFFFAOYSA-N 0 0 408.501 2.932 40 0 HFABRN Cc1nn2c(nnc(C(=O)N3CCN(C)CC3)c2C)c1-c1cccc2ccccc21 ZINC000014607675 560847106 /nfs/dbraw/zinc/84/71/06/560847106.db2.gz OJIHTIXXXSGDMF-UHFFFAOYSA-N 0 0 400.486 2.949 40 0 HFABRN O=C(c1ccco1)N1CCC[C@@H](c2nc3c(nnn3Cc3ccc(F)cc3)c(=O)[nH]2)C1 ZINC000015907263 560857322 /nfs/dbraw/zinc/85/73/22/560857322.db2.gz FNPHAIQGPXJPFH-CQSZACIVSA-N 0 0 422.420 2.727 40 0 HFABRN Cc1ccc(NC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1C ZINC000016506076 560860935 /nfs/dbraw/zinc/86/09/35/560860935.db2.gz XVXNHKFWMHYWCQ-UHFFFAOYSA-N 0 0 402.516 2.896 40 0 HFABRN CCOC(=O)c1sc(NC(=S)NC(=O)c2ccc3c(c2)OCCO3)nc1C ZINC000017087687 560862867 /nfs/dbraw/zinc/86/28/67/560862867.db2.gz OOZSJJQJQFETEQ-UHFFFAOYSA-N 0 0 407.473 2.526 40 0 HFABRN C[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccccc1Br ZINC000107974571 560871955 /nfs/dbraw/zinc/87/19/55/560871955.db2.gz UXYSHNSSHGISRG-SNVBAGLBSA-N 0 0 401.257 2.894 40 0 HFABRN COc1ccc(C2=NN(C(=O)CN3CCOCC3)[C@H](c3nc4ccccc4[nH]3)C2)cc1 ZINC000019287918 560872435 /nfs/dbraw/zinc/87/24/35/560872435.db2.gz SMNBPDOERUHGEL-NRFANRHFSA-N 0 0 419.485 2.581 40 0 HFABRN C[C@H](NC(=O)CN1C(=O)N[C@]2(CCCC[C@H]2C)C1=O)c1nc2ccccc2s1 ZINC000019496120 560873555 /nfs/dbraw/zinc/87/35/55/560873555.db2.gz OJZVZWNQKBQENQ-UVARLRKDSA-N 0 0 400.504 2.974 40 0 HFABRN CCOC(=O)[C@]1(Cc2ccccc2)N[C@H](c2ccc(F)cc2)[C@@H]2C(=O)N(CC)C(=O)[C@H]21 ZINC000019526833 560874538 /nfs/dbraw/zinc/87/45/38/560874538.db2.gz JWSYSFGDDQSDFA-ZBNTXBBCSA-N 0 0 424.472 2.636 40 0 HFABRN CCOC(=O)[C@]1(C)N[C@H](c2cccs2)[C@H]2C(=O)N(c3cccc(OC)c3)C(=O)[C@@H]21 ZINC000019529812 560874983 /nfs/dbraw/zinc/87/49/83/560874983.db2.gz LTPNJGCWDGTTOP-BIZBXSGISA-N 0 0 414.483 2.529 40 0 HFABRN COCCn1nnnc1[C@@H](c1cccs1)N1CCN(c2cc(C)ccc2C)CC1 ZINC000020098432 560880493 /nfs/dbraw/zinc/88/04/93/560880493.db2.gz AHWAINRWJPUCQL-HXUWFJFHSA-N 0 0 412.563 2.909 40 0 HFABRN Cc1ccc([C@H](c2nnnn2C(C)(C)C)N2CCN(C(=O)c3ccco3)CC2)cc1 ZINC000020139256 560880949 /nfs/dbraw/zinc/88/09/49/560880949.db2.gz UJMBDKCESWTPPO-LJQANCHMSA-N 0 0 408.506 2.877 40 0 HFABRN CC[C@H](c1nnnn1Cc1ccc(OC)cc1)N1CCN(Cc2ccccc2)CC1 ZINC000020141330 560881581 /nfs/dbraw/zinc/88/15/81/560881581.db2.gz QIQTYMZEKLONFB-JOCHJYFZSA-N 0 0 406.534 2.999 40 0 HFABRN CC1(C)O[C@H]2[C@H](O1)O[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)[C@@H]1OC(C)(C)O[C@H]21 ZINC000004303696 560895519 /nfs/dbraw/zinc/89/55/19/560895519.db2.gz RVFNRVLOUHFGGZ-SGPHBRAGSA-N 0 0 401.818 2.814 40 0 HFABRN COc1ccc(NC(=O)[C@@H]2O[C@H]3OC(C)(C)O[C@@H]3[C@@H]3OC(C)(C)O[C@H]32)cc1Cl ZINC000004587915 560898474 /nfs/dbraw/zinc/89/84/74/560898474.db2.gz HBNFQVOARRYRIC-IETPZCKNSA-N 0 0 413.854 2.684 40 0 HFABRN COc1ccc(N([C@H](C)C(=O)N(C)Cc2ccccc2OC)S(C)(=O)=O)cc1 ZINC000216274106 568464173 /nfs/dbraw/zinc/46/41/73/568464173.db2.gz DOKUZIORDSPHEK-OAHLLOKOSA-N 0 0 406.504 2.517 40 0 HFABRN CCOc1ccc([C@H](C)NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)N(C)C)cc1 ZINC000216445655 568465358 /nfs/dbraw/zinc/46/53/58/568465358.db2.gz QEAVQIRYLWZISS-HNNXBMFYSA-N 0 0 423.510 2.715 40 0 HFABRN COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)[C@H](C)Oc1ccc(F)cc1 ZINC000216491121 568465652 /nfs/dbraw/zinc/46/56/52/568465652.db2.gz ZGHSPKILKWXELY-ZDUSSCGKSA-N 0 0 410.467 2.927 40 0 HFABRN CCS(=O)(=O)N1C[C@@H](C(=O)NCCCc2ccc(C)cc2)Oc2ccccc21 ZINC000218790305 568483608 /nfs/dbraw/zinc/48/36/08/568483608.db2.gz FTTWVYAPOLUKCV-FQEVSTJZSA-N 0 0 402.516 2.661 40 0 HFABRN COc1cccc(N([C@@H](C)C(=O)N[C@H](C)CCc2ccccc2)S(C)(=O)=O)c1 ZINC000260587877 568485496 /nfs/dbraw/zinc/48/54/96/568485496.db2.gz BQDPBBPFRIYBTD-SJORKVTESA-N 0 0 404.532 2.987 40 0 HFABRN COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000219019599 568486006 /nfs/dbraw/zinc/48/60/06/568486006.db2.gz ZIXQMQJKKIEXRL-SOLBZPMBSA-N 0 0 412.486 2.755 40 0 HFABRN Cc1ccc(O[C@H](C)C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1C ZINC000219509110 568493612 /nfs/dbraw/zinc/49/36/12/568493612.db2.gz PNSODYOEXCDMDE-GOSISDBHSA-N 0 0 402.516 2.604 40 0 HFABRN Cc1ccc(OC[C@H](C)NC(=O)CCCN(C)S(=O)(=O)c2ccccc2)cc1 ZINC000219727086 568497837 /nfs/dbraw/zinc/49/78/37/568497837.db2.gz SWRDQIDGGQTPIF-SFHVURJKSA-N 0 0 404.532 2.979 40 0 HFABRN COc1cccc(CCCNC(=O)CN(c2cccc(SC)c2)S(C)(=O)=O)c1 ZINC000220070669 568501980 /nfs/dbraw/zinc/50/19/80/568501980.db2.gz LEJQLVSWGIFDJN-UHFFFAOYSA-N 0 0 422.572 2.932 40 0 HFABRN CCOc1cccc(CNC(=O)CN(c2cccc(SC)c2)S(C)(=O)=O)c1 ZINC000220072884 568502061 /nfs/dbraw/zinc/50/20/61/568502061.db2.gz XDKPPUMZJLQBFI-UHFFFAOYSA-N 0 0 408.545 2.890 40 0 HFABRN Cc1cccc(N([C@@H](C)C(=O)NCc2nc(-c3cccs3)no2)S(C)(=O)=O)c1 ZINC000220152811 568502736 /nfs/dbraw/zinc/50/27/36/568502736.db2.gz IOTCFERDPDITCB-ZDUSSCGKSA-N 0 0 420.516 2.577 40 0 HFABRN COc1cccc(N([C@@H](C)C(=O)Nc2cc(OC)ccc2OC)S(C)(=O)=O)c1 ZINC000220158916 568502887 /nfs/dbraw/zinc/50/28/87/568502887.db2.gz AKJQXZFBHNHQGR-ZDUSSCGKSA-N 0 0 408.476 2.506 40 0 HFABRN COc1cccc(N([C@@H](C)C(=O)N[C@@H](C)CCc2ccccc2)S(C)(=O)=O)c1 ZINC000220174625 568502972 /nfs/dbraw/zinc/50/29/72/568502972.db2.gz BQDPBBPFRIYBTD-IRXDYDNUSA-N 0 0 404.532 2.987 40 0 HFABRN COc1ccc(NC(=O)[C@H](C)N(c2cc(OC)ccc2OC)S(C)(=O)=O)cc1 ZINC000220207515 568503444 /nfs/dbraw/zinc/50/34/44/568503444.db2.gz ZHTKEPBPTHVLJG-ZDUSSCGKSA-N 0 0 408.476 2.506 40 0 HFABRN COc1ccc(OC)c(N([C@@H](C)C(=O)NC(C(C)C)C(C)C)S(C)(=O)=O)c1 ZINC000220211578 568503483 /nfs/dbraw/zinc/50/34/83/568503483.db2.gz HHILJPHNMHUJCE-AWEZNQCLSA-N 0 0 400.541 2.655 40 0 HFABRN COc1ccc(OC)c(N([C@@H](C)C(=O)Nc2cccc(C(C)=O)c2)S(C)(=O)=O)c1 ZINC000220215781 568503580 /nfs/dbraw/zinc/50/35/80/568503580.db2.gz ZSLBVGQKOYGEJY-ZDUSSCGKSA-N 0 0 420.487 2.700 40 0 HFABRN CCc1ccc(N([C@@H](C)C(=O)NCCN(C)c2ccccc2)S(C)(=O)=O)cc1 ZINC000220286573 568504262 /nfs/dbraw/zinc/50/42/62/568504262.db2.gz ZSRDFIHBRCBGBA-KRWDZBQOSA-N 0 0 403.548 2.656 40 0 HFABRN COC(=O)c1ccc(C)c(NC(=O)[C@@H](C)N(c2ccccc2F)S(C)(=O)=O)c1 ZINC000220302209 568504456 /nfs/dbraw/zinc/50/44/56/568504456.db2.gz ZQAWHIOXWGBGNG-CYBMUJFWSA-N 0 0 408.451 2.714 40 0 HFABRN COc1ccccc1CCCNC(=O)[C@@H](C)N(c1ccccc1F)S(C)(=O)=O ZINC000220313446 568504490 /nfs/dbraw/zinc/50/44/90/568504490.db2.gz QTVWWZROBCTLDL-OAHLLOKOSA-N 0 0 408.495 2.738 40 0 HFABRN COc1ccc(C)cc1N([C@@H](C)C(=O)NCCOc1ccc(C)cc1)S(C)(=O)=O ZINC000220343481 568504935 /nfs/dbraw/zinc/50/49/35/568504935.db2.gz DBPLTBUNYSVLHA-KRWDZBQOSA-N 0 0 420.531 2.662 40 0 HFABRN CC[C@@H](C(=O)NCCc1ccc(OC)cc1)N(c1cccc(OC)c1)S(C)(=O)=O ZINC000220616198 568507496 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40 0 HFABRN O=S(=O)(NCc1nc(-c2cccc(Cl)c2)no1)c1ccc2c(c1)OCCO2 ZINC000223583538 568552381 /nfs/dbraw/zinc/55/23/81/568552381.db2.gz MUCWMRWFNYAPSY-UHFFFAOYSA-N 0 0 407.835 2.640 40 0 HFABRN CCc1ccccc1N(CC(=O)NCCOc1ccc(C)c(C)c1)S(C)(=O)=O ZINC000223631232 568554129 /nfs/dbraw/zinc/55/41/29/568554129.db2.gz DLVHDKRBFJQHEN-UHFFFAOYSA-N 0 0 404.532 2.827 40 0 HFABRN CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1Cc1ccccn1 ZINC000223666274 568555467 /nfs/dbraw/zinc/55/54/67/568555467.db2.gz CMYRMEFRNRLDNO-LEWJYISDSA-N 0 0 421.526 2.862 40 0 HFABRN COc1ccc(Cl)cc1N(CC(=O)NCCc1ccc(F)cc1)S(C)(=O)=O ZINC000223670963 568555659 /nfs/dbraw/zinc/55/56/59/568555659.db2.gz VFQRWSIMJSVJDH-UHFFFAOYSA-N 0 0 414.886 2.613 40 0 HFABRN COc1ccc(-c2noc(CNS(=O)(=O)c3ccc(OC)c(C)c3)n2)c(OC)c1 ZINC000223759060 568558315 /nfs/dbraw/zinc/55/83/15/568558315.db2.gz HURCHMCEXWXBLB-UHFFFAOYSA-N 0 0 419.459 2.549 40 0 HFABRN CSc1nnc(NC(=O)[C@@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)s1 ZINC000223758800 568558336 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CCN1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)Nc2nc(-c4ccccc4OC)cs2)[C@@H]3C1=O ZINC000036748672 557852166 /nfs/dbraw/zinc/85/21/66/557852166.db2.gz BSBXEDPFCCSPDA-KYFSNAEOSA-N 0 0 411.483 2.559 40 0 HFABRN CCOC(=O)N1CCN(c2nc3c(c(NC)n2)C(=O)C[C@H](c2ccccc2)C3)CC1 ZINC000010157668 557856717 /nfs/dbraw/zinc/85/67/17/557856717.db2.gz QPDALGNXMQXVNU-MRXNPFEDSA-N 0 0 409.490 2.710 40 0 HFABRN CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(OC)c(OC)c2)cc1C ZINC000010301332 557858965 /nfs/dbraw/zinc/85/89/65/557858965.db2.gz QYQMVSSDFFJZOR-UHFFFAOYSA-N 0 0 422.503 2.670 40 0 HFABRN Cc1ccc(C)c(N([C@H](C)C(=O)NCc2ccc3c(c2)OCO3)S(C)(=O)=O)c1 ZINC000010544322 558259225 /nfs/dbraw/zinc/25/92/25/558259225.db2.gz QMJRGJBLYMPLLT-OAHLLOKOSA-N 0 0 404.488 2.503 40 0 HFABRN COCCCNC(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000010692269 558259935 /nfs/dbraw/zinc/25/99/35/558259935.db2.gz BNNFYJHZUPWCDJ-UHFFFAOYSA-N 0 0 423.362 2.688 40 0 HFABRN COCC(=O)N1CCC[C@H]1c1nc(C)c2c(n1)N(Cc1ccccc1OC)C(=O)CC2 ZINC000019740380 558261081 /nfs/dbraw/zinc/26/10/81/558261081.db2.gz HZANRNXEQAJILA-SFHVURJKSA-N 0 0 424.501 2.583 40 0 HFABRN CC(C)(CNC(=O)Cn1cc(C(=O)NC2CCCC2)ccc1=O)c1ccc(F)cc1 ZINC000019746313 558266218 /nfs/dbraw/zinc/26/62/18/558266218.db2.gz GJRKSRYFSROACQ-UHFFFAOYSA-N 0 0 413.493 2.754 40 0 HFABRN Cc1nc(C)c(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cnc(C)cn3)CC2)o1 ZINC000019746586 558266484 /nfs/dbraw/zinc/26/64/84/558266484.db2.gz KUWVSDFPIFCHDK-LJQANCHMSA-N 0 0 411.506 2.937 40 0 HFABRN Cc1nccn1CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cnc(C)cn2)CC1 ZINC000019746584 558266489 /nfs/dbraw/zinc/26/64/89/558266489.db2.gz DTWRSDWWRCZPMB-OAQYLSRUSA-N 0 0 424.549 2.614 40 0 HFABRN CN(C[C@@H]1COc2ccccc2O1)C(=O)Cn1cc(NC(=O)c2ccc(F)cc2)cn1 ZINC000019749439 558268856 /nfs/dbraw/zinc/26/88/56/558268856.db2.gz FVZDXAPBGHBNAF-GOSISDBHSA-N 0 0 424.432 2.573 40 0 HFABRN COc1cccc(C(=O)N2CC[C@@H](C(=O)N3CCC(Cn4ccnc4C)CC3)C2)c1 ZINC000019750370 558270299 /nfs/dbraw/zinc/27/02/99/558270299.db2.gz LTVOVVFABKHTRZ-HXUWFJFHSA-N 0 0 410.518 2.601 40 0 HFABRN CN(C(=O)Cn1cccc(C(=O)N(Cc2ccccn2)C2CC2)c1=O)C1CCCCC1 ZINC000019751503 558271563 /nfs/dbraw/zinc/27/15/63/558271563.db2.gz CYVFNOWZKLNCOD-UHFFFAOYSA-N 0 0 422.529 2.839 40 0 HFABRN Cc1nc([C@H]2CCCN2C(=O)c2ccc(=O)n(C)c2)ncc1C(=O)Nc1ccccc1 ZINC000019755325 558274035 /nfs/dbraw/zinc/27/40/35/558274035.db2.gz BMCGXIRYHYMTTN-LJQANCHMSA-N 0 0 417.469 2.713 40 0 HFABRN Cc1nn(C)cc1CN1CCO[C@H](c2cc(C(=O)NC(C)C)c3ccccc3n2)C1 ZINC000019759699 558275894 /nfs/dbraw/zinc/27/58/94/558275894.db2.gz VRZDLFLGLCIEMG-QFIPXVFZSA-N 0 0 407.518 2.988 40 0 HFABRN Cc1c(C(=O)N2CCO[C@@H](c3cc(C(=O)NC(C)C)c4ccccc4n3)C2)cnn1C ZINC000019759734 558276241 /nfs/dbraw/zinc/27/62/41/558276241.db2.gz BGYKQHNQNOGFMJ-OAQYLSRUSA-N 0 0 421.501 2.629 40 0 HFABRN Cc1n[nH]cc1C(=O)N1CCC(c2ccc(C(=O)NCc3ccccc3)c(N)n2)CC1 ZINC000019765963 558278350 /nfs/dbraw/zinc/27/83/50/558278350.db2.gz YDLJAZMQFUBEAA-UHFFFAOYSA-N 0 0 418.501 2.645 40 0 HFABRN COC(=O)C1=C(C)N(c2ccccc2)C(=O)C[C@H]1C(=O)Nc1ccc2c(c1)OCO2 ZINC000019819061 558289103 /nfs/dbraw/zinc/28/91/03/558289103.db2.gz YCVQFSFFXJEZFE-MRXNPFEDSA-N 0 0 408.410 2.854 40 0 HFABRN Nc1nc(N2CCCCC2)nc2c1[C@H](C(=O)Nc1ccc(F)c(Cl)c1)CC(=O)N2 ZINC000019819903 558290209 /nfs/dbraw/zinc/29/02/09/558290209.db2.gz MCEVORYGIBMABG-LLVKDONJSA-N 0 0 418.860 2.906 40 0 HFABRN Nc1nc(N2CCCC2)nc2c1[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)CC(=O)N2 ZINC000019819991 558290393 /nfs/dbraw/zinc/29/03/93/558290393.db2.gz KBANLKYTIORLMD-GFCCVEGCSA-N 0 0 420.395 2.742 40 0 HFABRN CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)S(=O)(=O)c1ccc(OC)c(C)c1 ZINC000019929795 558309727 /nfs/dbraw/zinc/30/97/27/558309727.db2.gz ZCOUJSZIMBFPKC-UHFFFAOYSA-N 0 0 419.503 2.611 40 0 HFABRN COc1ccccc1[C@H](C)NC(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000019930788 558310097 /nfs/dbraw/zinc/31/00/97/558310097.db2.gz FHAJEDRDKSNQGY-HNNXBMFYSA-N 0 0 402.516 2.946 40 0 HFABRN CC(C)OCCCNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1 ZINC000020008115 558318584 /nfs/dbraw/zinc/31/85/84/558318584.db2.gz BZJDUFHDEMAKMW-FQEVSTJZSA-N 0 0 422.522 2.647 40 0 HFABRN COc1ccc(CNC(=O)CN(C)S(=O)(=O)c2c(C)cc(C)cc2C)cc1OC ZINC000020013164 558319196 /nfs/dbraw/zinc/31/91/96/558319196.db2.gz VQWXXGGNLKLIQX-UHFFFAOYSA-N 0 0 420.531 2.566 40 0 HFABRN CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCc2ccc(F)cc2)cc1Cl ZINC000020016253 558320213 /nfs/dbraw/zinc/32/02/13/558320213.db2.gz FDVKXWDNBPUENP-LBPRGKRZSA-N 0 0 414.886 2.861 40 0 HFABRN COc1ccccc1[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)NC(C)C)cc1 ZINC000020018854 558320826 /nfs/dbraw/zinc/32/08/26/558320826.db2.gz FQVSRTVPAKTSCC-OAHLLOKOSA-N 0 0 406.504 2.638 40 0 HFABRN CCCNS(=O)(=O)c1cc(C(=O)N[C@@H](C)c2ccc(OC)cc2)ccc1OC ZINC000020025026 558322270 /nfs/dbraw/zinc/32/22/70/558322270.db2.gz VEUMQCHRAHFTCL-AWEZNQCLSA-N 0 0 406.504 2.883 40 0 HFABRN Cc1ccc([C@H](C)NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)N(C)C)c(C)c1 ZINC000020039839 558325523 /nfs/dbraw/zinc/32/55/23/558325523.db2.gz JQPJQIRBBMOTGG-INIZCTEOSA-N 0 0 407.511 2.933 40 0 HFABRN CN(C)c1cccc(C(=O)N2CCC(Nc3nc(C(F)(F)F)cc(=O)[nH]3)CC2)c1 ZINC000012114043 558327250 /nfs/dbraw/zinc/32/72/50/558327250.db2.gz LHPIEJLQKQBINZ-UHFFFAOYSA-N 0 0 409.412 2.571 40 0 HFABRN COc1cc2c(cc1OC)N(C)S(=O)(=O)C(C(=O)NCc1ccccc1)=C2C ZINC000020063922 558330204 /nfs/dbraw/zinc/33/02/04/558330204.db2.gz FYKRUICBIXHZCO-UHFFFAOYSA-N 0 0 402.472 2.531 40 0 HFABRN Cc1ncc2c(n1)[C@]1(C)CCCN(C(=O)Cc3ccc(S(C)(=O)=O)cc3)[C@H]1CC2 ZINC000012120807 558330485 /nfs/dbraw/zinc/33/04/85/558330485.db2.gz SGYCORGMSPKHBK-SIKLNZKXSA-N 0 0 413.543 2.626 40 0 HFABRN COc1ccc(O[C@H](C)C(=O)Nc2cc(S(=O)(=O)NC(C)C)ccc2OC)cc1 ZINC000020104627 558332876 /nfs/dbraw/zinc/33/28/76/558332876.db2.gz ALVUKGGQBHHGKD-CQSZACIVSA-N 0 0 422.503 2.797 40 0 HFABRN COCCN(C(=O)c1ccc(COC)o1)c1nc2c(s1)CCc1c-2cnn1C ZINC000012146093 558337477 /nfs/dbraw/zinc/33/74/77/558337477.db2.gz QJAUMROTEOCWLP-UHFFFAOYSA-N 0 0 402.476 2.675 40 0 HFABRN COc1ccc(Cl)cc1NC(=O)CN1c2ccccc2C(=O)N2CCC[C@@H]2C1=O ZINC000012146221 558337642 /nfs/dbraw/zinc/33/76/42/558337642.db2.gz GWOYPUNPTVPGQI-QGZVFWFLSA-N 0 0 413.861 2.939 40 0 HFABRN O=S1(=O)CC[C@@H](Nc2ncc(-c3ccc4c(c3)OCO4)c(-c3nccs3)n2)C1 ZINC000012186438 558345488 /nfs/dbraw/zinc/34/54/88/558345488.db2.gz DXLVINPAOORQCJ-GFCCVEGCSA-N 0 0 416.484 2.595 40 0 HFABRN Cc1ccc(C)c([C@H](C)NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)N(C)C)c1 ZINC000020244383 558350748 /nfs/dbraw/zinc/35/07/48/558350748.db2.gz YBROVFDEISEKPH-INIZCTEOSA-N 0 0 407.511 2.933 40 0 HFABRN COC(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)c1 ZINC000012200132 558351079 /nfs/dbraw/zinc/35/10/79/558351079.db2.gz SHOGCFQYRBSBCF-UHFFFAOYSA-N 0 0 422.846 2.581 40 0 HFABRN Cn1c2ccc(S(=O)(=O)NCC3(c4ccccc4)CCOCC3)cc2sc1=O ZINC000012239663 558360201 /nfs/dbraw/zinc/36/02/01/558360201.db2.gz PKEMBSPBERBXRM-UHFFFAOYSA-N 0 0 418.540 2.627 40 0 HFABRN CCCn1c2nc(-c3ccco3)nc(C(N)=O)c2n(CC(=O)c2ccc(C)cc2)c1=O ZINC000012242256 558360709 /nfs/dbraw/zinc/36/07/09/558360709.db2.gz HHBZTZZPVXGUSI-UHFFFAOYSA-N 0 0 419.441 2.553 40 0 HFABRN Cc1ccc(C)c(N(CC(=O)NCc2ccccc2-n2ccnc2)S(C)(=O)=O)c1 ZINC000020450878 558365561 /nfs/dbraw/zinc/36/55/61/558365561.db2.gz XOBUPMWZTUXCRT-UHFFFAOYSA-N 0 0 412.515 2.572 40 0 HFABRN CCN(CC)C(=O)C1CCN(S(=O)(=O)Cc2ccc(Br)cc2)CC1 ZINC000020456354 558369979 /nfs/dbraw/zinc/36/99/79/558369979.db2.gz YCSUNOJHVSWCTC-UHFFFAOYSA-N 0 0 417.369 2.859 40 0 HFABRN COc1ccc(CN(C)C(=O)[C@@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)cc1OC ZINC000020459230 558371668 /nfs/dbraw/zinc/37/16/68/558371668.db2.gz HOHAYGQTPZSIHP-CQSZACIVSA-N 0 0 424.494 2.656 40 0 HFABRN CCN(c1ccc(C(=O)N(C)Cc2ccc(OC)c(OC)c2)cc1)S(C)(=O)=O ZINC000020494735 558379920 /nfs/dbraw/zinc/37/99/20/558379920.db2.gz JDXHCEZFYJWNEA-UHFFFAOYSA-N 0 0 406.504 2.762 40 0 HFABRN O=C1CCc2cc(S(=O)(=O)NC[C@H](c3ccc(F)cc3)N3CCCC3)ccc2N1 ZINC000012362389 558387501 /nfs/dbraw/zinc/38/75/01/558387501.db2.gz HGUDBYGDSAOAAU-HXUWFJFHSA-N 0 0 417.506 2.826 40 0 HFABRN CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)c2c(OC)cccc2OC)cc1 ZINC000022227131 558467170 /nfs/dbraw/zinc/46/71/70/558467170.db2.gz WIXSUTHSPXIADP-UHFFFAOYSA-N 0 0 420.531 2.707 40 0 HFABRN CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N(CC)CC)cc1 ZINC000022247640 558472510 /nfs/dbraw/zinc/47/25/10/558472510.db2.gz ZEDSECKKAPXQPX-FQEVSTJZSA-N 0 0 404.532 2.843 40 0 HFABRN CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](C)CC)cc1 ZINC000022247613 558472519 /nfs/dbraw/zinc/47/25/19/558472519.db2.gz VBSNUONDGBBHHE-OXQOHEQNSA-N 0 0 404.532 2.890 40 0 HFABRN CCN(c1cc(OC)c(OC)cc1C(=O)Nc1ccccc1OC)S(C)(=O)=O ZINC000022252020 558473409 /nfs/dbraw/zinc/47/34/09/558473409.db2.gz WRFQCDTZFPUIMP-UHFFFAOYSA-N 0 0 408.476 2.751 40 0 HFABRN CCN(c1cc(OC)c(OC)cc1C(=O)NCc1ccc(F)cc1)S(C)(=O)=O ZINC000022252420 558473571 /nfs/dbraw/zinc/47/35/71/558473571.db2.gz AKRFXAOUEGXUPS-UHFFFAOYSA-N 0 0 410.467 2.559 40 0 HFABRN COc1cc(C(=O)NC2CC2)c(N(Cc2ccccc2)S(C)(=O)=O)cc1OC ZINC000022253242 558474024 /nfs/dbraw/zinc/47/40/24/558474024.db2.gz RFKXYORAGFTFQR-UHFFFAOYSA-N 0 0 404.488 2.562 40 0 HFABRN COc1ccc([C@@H](C)NC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000022271917 558475605 /nfs/dbraw/zinc/47/56/05/558475605.db2.gz KXFCFQDEBGRBBA-OAHLLOKOSA-N 0 0 406.504 2.510 40 0 HFABRN CC(C)Oc1ccc(CCCNC(=O)CN(c2ccccc2)S(C)(=O)=O)cc1 ZINC000022326383 558478331 /nfs/dbraw/zinc/47/83/31/558478331.db2.gz KUSCDRWLBKCARO-UHFFFAOYSA-N 0 0 404.532 2.989 40 0 HFABRN Cc1ccc(OC[C@@H](C)NC(=O)CN(c2ccc(C)cc2C)S(C)(=O)=O)cc1 ZINC000022328395 558479008 /nfs/dbraw/zinc/47/90/08/558479008.db2.gz DZYRKZYAZPZRKE-GOSISDBHSA-N 0 0 404.532 2.962 40 0 HFABRN COc1ccc(N(CC(=O)N[C@H]2CCCc3ccccc32)S(C)(=O)=O)c(OC)c1 ZINC000022333734 558480677 /nfs/dbraw/zinc/48/06/77/558480677.db2.gz NBUDYJNKRJPJGJ-SFHVURJKSA-N 0 0 418.515 2.664 40 0 HFABRN CCc1ccc(N(CC(=O)N[C@H](C)COc2ccc(C)cc2)S(C)(=O)=O)cc1 ZINC000022361726 558483237 /nfs/dbraw/zinc/48/32/37/558483237.db2.gz XGPIQPPXKYGDBH-QGZVFWFLSA-N 0 0 404.532 2.907 40 0 HFABRN CC(C)Oc1ccc(N(CC(=O)N2CCc3ccccc3C2)S(C)(=O)=O)cc1 ZINC000022383892 558485032 /nfs/dbraw/zinc/48/50/32/558485032.db2.gz XBAAGZGJTPPPGC-UHFFFAOYSA-N 0 0 402.516 2.825 40 0 HFABRN CCCOc1ccc(N(CC(=O)N2CCc3ccccc3C2)S(C)(=O)=O)cc1 ZINC000022383940 558485079 /nfs/dbraw/zinc/48/50/79/558485079.db2.gz OBUZQMSCSQPJNB-UHFFFAOYSA-N 0 0 402.516 2.826 40 0 HFABRN CCOc1cccc(N(CC(=O)NCCCc2ccc(C)cc2)S(C)(=O)=O)c1 ZINC000022394428 558486422 /nfs/dbraw/zinc/48/64/22/558486422.db2.gz IGABKUYUAHDEKH-UHFFFAOYSA-N 0 0 404.532 2.909 40 0 HFABRN Cc1nccn1-c1ccccc1CNC(=O)CN(c1cccc(C)c1)S(C)(=O)=O ZINC000022432160 558489492 /nfs/dbraw/zinc/48/94/92/558489492.db2.gz AMSODPDJNKVARE-UHFFFAOYSA-N 0 0 412.515 2.572 40 0 HFABRN COCc1nc(N2CCN(c3ccc(F)cc3)CC2)[nH]c(=O)c1Cc1ccccc1 ZINC000022448577 558489950 /nfs/dbraw/zinc/48/99/50/558489950.db2.gz HVDKRGBPUHJXQR-UHFFFAOYSA-N 0 0 408.477 2.973 40 0 HFABRN COc1ccc(OC[C@H](C)NS(=O)(=O)c2ccc(N3CCCC3=O)c(C)c2)cc1 ZINC000022512242 558493154 /nfs/dbraw/zinc/49/31/54/558493154.db2.gz PWWBKUVPYZBKEV-INIZCTEOSA-N 0 0 418.515 2.876 40 0 HFABRN CCc1ccccc1N(CC(=O)N[C@@H](C)c1ccc(OC)c(OC)c1)S(C)(=O)=O ZINC000022520341 558494486 /nfs/dbraw/zinc/49/44/86/558494486.db2.gz VGVDXGAEJQEWBV-HNNXBMFYSA-N 0 0 420.531 2.910 40 0 HFABRN COc1ccc(F)cc1S(=O)(=O)N1CCC[C@H](C(=O)N(C)Cc2ccccc2)C1 ZINC000013580782 558544424 /nfs/dbraw/zinc/54/44/24/558544424.db2.gz DYNYMSKFXFLLOJ-KRWDZBQOSA-N 0 0 420.506 2.894 40 0 HFABRN CCOC(=O)Cc1c(C)nc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)[nH]c1=O ZINC000013611813 558548817 /nfs/dbraw/zinc/54/88/17/558548817.db2.gz UABXDQSJFUGOSJ-UHFFFAOYSA-N 0 0 424.423 2.529 40 0 HFABRN CCOC(=O)c1cccc(NC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)c1 ZINC000013612952 558549009 /nfs/dbraw/zinc/54/90/09/558549009.db2.gz OSKFRJSHUTYPQC-UHFFFAOYSA-N 0 0 410.879 2.921 40 0 HFABRN COC(=O)C1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)CC1 ZINC000013648996 558557652 /nfs/dbraw/zinc/55/76/52/558557652.db2.gz CSWYZMIWIWIOKN-UHFFFAOYSA-N 0 0 416.499 2.821 40 0 HFABRN Cc1cccc(N(CC(=O)NCCSCc2ccccc2F)S(C)(=O)=O)c1 ZINC000013672266 558562985 /nfs/dbraw/zinc/56/29/85/558562985.db2.gz YSXWGEVKFQNMQL-UHFFFAOYSA-N 0 0 410.536 2.950 40 0 HFABRN COC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(OC)c(C(=O)NC(C)C)c2)c1 ZINC000013677366 558564917 /nfs/dbraw/zinc/56/49/17/558564917.db2.gz SIZZRZRHDSWBJJ-UHFFFAOYSA-N 0 0 420.487 2.729 40 0 HFABRN CCS(=O)(=O)N1C[C@@H](C(=O)NCCSCc2ccccc2)Oc2ccccc21 ZINC000013680208 558566204 /nfs/dbraw/zinc/56/62/04/558566204.db2.gz DOWWPVBPCFCXAQ-IBGZPJMESA-N 0 0 420.556 2.653 40 0 HFABRN CNC(=O)c1cc(S(=O)(=O)NCCSc2ccc(Cl)cc2)ccc1OC ZINC000013683535 558568168 /nfs/dbraw/zinc/56/81/68/558568168.db2.gz OAWVCMROOJNUKV-UHFFFAOYSA-N 0 0 414.936 2.779 40 0 HFABRN CCOC(=O)C1CCN(C(=O)[C@@H](CC)N(c2ccc(C)c(C)c2)S(C)(=O)=O)CC1 ZINC000013716510 558579622 /nfs/dbraw/zinc/57/96/22/558579622.db2.gz DAPFFRAYFVTPKD-LJQANCHMSA-N 0 0 424.563 2.650 40 0 HFABRN COc1ccc(S(=O)(=O)N(C)CC(=O)NCCSc2ccc(C)cc2)cc1 ZINC000026397182 558660367 /nfs/dbraw/zinc/66/03/67/558660367.db2.gz ZPITZDISZIOVAX-UHFFFAOYSA-N 0 0 408.545 2.533 40 0 HFABRN CCOc1ccc(CCCNS(=O)(=O)Cc2ccc(C(=O)OC)cc2)cc1OC ZINC000030751820 558736105 /nfs/dbraw/zinc/73/61/05/558736105.db2.gz KSARDJGGCKWOSL-UHFFFAOYSA-N 0 0 421.515 2.933 40 0 HFABRN COc1ccc(NC(=O)c2ccc(CS(=O)(=O)N3CCCC3)cc2)c(OC)c1 ZINC000030853683 558740601 /nfs/dbraw/zinc/74/06/01/558740601.db2.gz JTPAKDJBHYRSCX-UHFFFAOYSA-N 0 0 404.488 2.882 40 0 HFABRN Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1C ZINC000030854236 558740890 /nfs/dbraw/zinc/74/08/90/558740890.db2.gz LASJDIXEFNDYAZ-KRWDZBQOSA-N 0 0 418.515 2.730 40 0 HFABRN Cc1ccc([C@H](C)NC(=O)c2ccc(CS(=O)(=O)N3CCOCC3)cc2)c(C)c1 ZINC000030861350 558741770 /nfs/dbraw/zinc/74/17/70/558741770.db2.gz WIKARSKENLXWFM-SFHVURJKSA-N 0 0 416.543 2.956 40 0 HFABRN COCC(=O)N[C@H]1CC[C@]2(C)CC[C@H]([C@H](C)C(=O)N3CCCCC3)[C@H](O)[C@H]2[C@@H]1C ZINC000030883797 558743993 /nfs/dbraw/zinc/74/39/93/558743993.db2.gz HTVXSZNLZLEMDG-SRFJVHTCSA-N 0 0 408.583 2.590 40 0 biogenic,in-vitro HFABRN CCCCOC(=O)c1ccc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccccc2)cc1 ZINC000068741421 558757104 /nfs/dbraw/zinc/75/71/04/558757104.db2.gz NBGLUOXGXQWSQV-OAHLLOKOSA-N 0 0 404.488 2.949 40 0 HFABRN CN1C(=O)c2ccc(NC(=O)/C=C/c3cc4cccc5c4n(c3=O)CCC5)cc2C1=O ZINC000036625778 558800408 /nfs/dbraw/zinc/80/04/08/558800408.db2.gz KBSXQQJDRRPPHP-JXMROGBWSA-N 0 0 413.433 2.825 40 0 HFABRN COc1ccc(Cl)cc1C(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 ZINC000016740353 558803310 /nfs/dbraw/zinc/80/33/10/558803310.db2.gz BVBQZXPPWDMFFZ-UHFFFAOYSA-N 0 0 423.922 2.537 40 0 HFABRN CCOCc1ccc(C(=O)NCCCc2c(-c3ccccc3)nc(N)[nH]c2=O)cc1 ZINC000017039773 558812435 /nfs/dbraw/zinc/81/24/35/558812435.db2.gz QMLBIYKLLXZQDV-UHFFFAOYSA-N 0 0 406.486 2.918 40 0 HFABRN Cc1ccc([C@H](NC(=O)[C@H]2CCCN(S(=O)(=O)N(C)C)C2)c2ccccc2)cc1 ZINC000038756082 558814670 /nfs/dbraw/zinc/81/46/70/558814670.db2.gz NAEAKOPFUXZEAC-LEWJYISDSA-N 0 0 415.559 2.719 40 0 HFABRN Cc1ccc([C@@H](NC(=O)[C@H]2CCCN(S(=O)(=O)N(C)C)C2)c2ccccc2)cc1 ZINC000038756084 558814699 /nfs/dbraw/zinc/81/46/99/558814699.db2.gz NAEAKOPFUXZEAC-SFTDATJTSA-N 0 0 415.559 2.719 40 0 HFABRN CCOc1ccc(CNC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1 ZINC000038756691 558814920 /nfs/dbraw/zinc/81/49/20/558814920.db2.gz FJYZVKNOQRZMFU-SFHVURJKSA-N 0 0 424.906 2.582 40 0 HFABRN Cc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)cc1 ZINC000038772204 558815342 /nfs/dbraw/zinc/81/53/42/558815342.db2.gz VNZLJQLYDCLASD-UHFFFAOYSA-N 0 0 403.485 2.992 40 0 HFABRN COCc1nn2c(ncc(C(=O)N3CCN(C)CC3)c2C)c1-c1ccc(Cl)cc1 ZINC000038829793 558816416 /nfs/dbraw/zinc/81/64/16/558816416.db2.gz WDFLTWPENNNOQN-UHFFFAOYSA-N 0 0 413.909 2.892 40 0 HFABRN CCOc1ccc(S(=O)(=O)N(CC)CC(=O)NCCc2ccccc2)cc1C ZINC000039986169 558823847 /nfs/dbraw/zinc/82/38/47/558823847.db2.gz AWYSKYUHDNNQTA-UHFFFAOYSA-N 0 0 404.532 2.763 40 0 HFABRN CC(=O)Nc1cccc([C@@H]2CN(C(=O)Cc3ccccn3)C[C@]23CCCCC(=O)N3)c1 ZINC000019022876 558838149 /nfs/dbraw/zinc/83/81/49/558838149.db2.gz VZMPJOGAYQEGCJ-XUZZJYLKSA-N 0 0 420.513 2.638 40 0 HFABRN COc1ccccc1C(=O)N1CCC(O)(Cn2ncc3ccc(NC(C)=O)cc32)CC1 ZINC000019022806 558838172 /nfs/dbraw/zinc/83/81/72/558838172.db2.gz AHJVGTPBNRDESL-UHFFFAOYSA-N 0 0 422.485 2.671 40 0 HFABRN C[C@H](C(=O)N1CCC(Cc2nc(-c3ccsc3)cc(=O)[nH]2)CC1)N1CCCC1=O ZINC000019077871 558838570 /nfs/dbraw/zinc/83/85/70/558838570.db2.gz NXRAESPXAJQXDG-CQSZACIVSA-N 0 0 414.531 2.703 40 0 HFABRN C[C@@H](C(=O)N1CCN([C@H](c2nccn2C)c2ccccc2)CC1)n1cc(Cl)cn1 ZINC000019079100 558838798 /nfs/dbraw/zinc/83/87/98/558838798.db2.gz XUMAJTGEWHUFHO-LPHOPBHVSA-N 0 0 412.925 2.765 40 0 HFABRN COc1ccc(CCC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1OC ZINC000046080874 558839513 /nfs/dbraw/zinc/83/95/13/558839513.db2.gz OIOJQQYMTGJLSI-UHFFFAOYSA-N 0 0 412.486 2.710 40 0 HFABRN CN(C)C(=O)c1cncnc1-c1ccc(CNC(=O)c2cc(C(C)(C)C)nn2C)cc1 ZINC000019083816 558840606 /nfs/dbraw/zinc/84/06/06/558840606.db2.gz TYJMLPVGVHRVOC-UHFFFAOYSA-N 0 0 420.517 2.806 40 0 HFABRN Cc1cc(-c2cc(=O)[nH]nc2C2CCN(S(=O)(=O)c3ccccc3)CC2)on1 ZINC000019121252 558843200 /nfs/dbraw/zinc/84/32/00/558843200.db2.gz VTFDZCNFUZDGSI-UHFFFAOYSA-N 0 0 400.460 2.714 40 0 HFABRN Cc1cc(-c2cc(=O)[nH]nc2C2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)on1 ZINC000019121223 558843298 /nfs/dbraw/zinc/84/32/98/558843298.db2.gz CYWYUQULGAMTOA-UHFFFAOYSA-N 0 0 408.414 2.894 40 0 HFABRN Cc1ccc(C(=O)N2CCC[C@@H](C(=O)c3cnn(-c4ccc(F)cc4)c3N)C2)c(=O)[nH]1 ZINC000019134598 558845931 /nfs/dbraw/zinc/84/59/31/558845931.db2.gz SEBKBXBYWIQQON-CQSZACIVSA-N 0 0 423.448 2.738 40 0 HFABRN Cc1ccc(-n2ncc3c2N(CC(=O)N2CCCCCC2)C(=O)N2CCN=C32)cc1 ZINC000019213409 558849147 /nfs/dbraw/zinc/84/91/47/558849147.db2.gz OOEUMVUMRYJAHP-UHFFFAOYSA-N 0 0 406.490 2.586 40 0 HFABRN Cc1ccc(S(=O)(=O)N2CC[C@@H](c3nc(-c4ccncc4)cc(=O)[nH]3)C2)cc1C ZINC000019214300 558849705 /nfs/dbraw/zinc/84/97/05/558849705.db2.gz OWUQWZQZBPADNL-QGZVFWFLSA-N 0 0 410.499 2.627 40 0 HFABRN COc1cc(CN2CCN(C(=O)c3cn4cc(C)ccc4n3)CC2)cc(OC)c1OC ZINC000019234348 558853588 /nfs/dbraw/zinc/85/35/88/558853588.db2.gz ZRULXOGHEBOSLO-UHFFFAOYSA-N 0 0 424.501 2.627 40 0 HFABRN Cc1cccc(N2C[C@@H](c3cc(=O)[nH]c(N(C)CCc4ccccn4)n3)CC2=O)c1C ZINC000019235551 558854543 /nfs/dbraw/zinc/85/45/43/558854543.db2.gz DUBOERYSPZYFLP-SFHVURJKSA-N 0 0 417.513 2.981 40 0 HFABRN Cc1cccc(N2C[C@H](c3cc(=O)[nH]c(NCCc4ccncc4)n3)CC2=O)c1C ZINC000019235583 558854671 /nfs/dbraw/zinc/85/46/71/558854671.db2.gz IRBJFJNVNNMQQT-GOSISDBHSA-N 0 0 403.486 2.957 40 0 HFABRN Cc1cnc2c(C(=O)N3CCN(CCCOc4cccc(C)c4C)CC3)cnn2c1 ZINC000019235727 558854844 /nfs/dbraw/zinc/85/48/44/558854844.db2.gz QJSVJXSIRTWKKR-UHFFFAOYSA-N 0 0 407.518 2.881 40 0 HFABRN Cc1cccc2c3c([nH]c21)CCN(C(=O)[C@@H](C)N1C(=O)c2ccccc2S1(=O)=O)C3 ZINC000019236546 558855554 /nfs/dbraw/zinc/85/55/54/558855554.db2.gz GIEWVIHLPWNALP-CQSZACIVSA-N 0 0 423.494 2.594 40 0 HFABRN Cc1ccccc1-c1noc([C@@H]2CN(S(=O)(=O)c3cccc(F)c3)CCO2)n1 ZINC000019237528 558856778 /nfs/dbraw/zinc/85/67/78/558856778.db2.gz GAPAHZDWCQEAPF-KRWDZBQOSA-N 0 0 403.435 2.946 40 0 HFABRN Cc1ccnn1CCC(=O)N1CC[C@](Cc2ccccc2-c2ccncc2)(C(N)=O)C1 ZINC000019238394 558857287 /nfs/dbraw/zinc/85/72/87/558857287.db2.gz ODMQZKACPLZQAF-XMMPIXPASA-N 0 0 417.513 2.590 40 0 HFABRN O=C(c1cccs1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)CN(Cc1cccnc1)CC2 ZINC000019339373 558871109 /nfs/dbraw/zinc/87/11/09/558871109.db2.gz SZEHELIMRYZZIR-SFHVURJKSA-N 0 0 421.526 2.762 40 0 HFABRN NC(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CN(C(=O)c2ccncc2)CCO1 ZINC000019344604 558872931 /nfs/dbraw/zinc/87/29/31/558872931.db2.gz QEDLZIGYBPRPTE-QFIPXVFZSA-N 0 0 407.495 2.749 40 0 HFABRN O=S(=O)(c1cccc(F)c1)N1CCO[C@@H](c2nc(Cc3ccccc3F)no2)C1 ZINC000019349734 558875346 /nfs/dbraw/zinc/87/53/46/558875346.db2.gz CVCZTLOKPMOXPK-QGZVFWFLSA-N 0 0 421.425 2.701 40 0 HFABRN O=C(NCCn1cc2c(n1)[C@H]1CN(C(=O)C3CCCC3)C[C@H]1CC2)c1ccccc1 ZINC000019369078 558877721 /nfs/dbraw/zinc/87/77/21/558877721.db2.gz DVXGESHPUGTGIG-CTNGQTDRSA-N 0 0 406.530 2.992 40 0 HFABRN O=C(c1ccco1)N1CCN([C@H](c2nnnn2C2CCCC2)c2ccccc2)CC1 ZINC000019369574 558878003 /nfs/dbraw/zinc/87/80/03/558878003.db2.gz GMXNWXKMEBBOCX-FQEVSTJZSA-N 0 0 406.490 2.929 40 0 HFABRN O=S(=O)(c1ccccc1)N1CCO[C@H](c2nc(Cc3ccccc3F)no2)C1 ZINC000019373671 558880904 /nfs/dbraw/zinc/88/09/04/558880904.db2.gz IQNYKSCXNFFDAT-KRWDZBQOSA-N 0 0 403.435 2.562 40 0 HFABRN COc1cc(C)c(S(=O)(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1C ZINC000055546013 558882245 /nfs/dbraw/zinc/88/22/45/558882245.db2.gz SPCRSLCCPWVUFM-UHFFFAOYSA-N 0 0 401.488 2.911 40 0 HFABRN NC(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CN(C(=O)c2ccccn2)CCO1 ZINC000019400193 558882835 /nfs/dbraw/zinc/88/28/35/558882835.db2.gz IQIIPYXKKKSDPB-QFIPXVFZSA-N 0 0 407.495 2.749 40 0 HFABRN Cc1ccccc1OC[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000055694424 558883972 /nfs/dbraw/zinc/88/39/72/558883972.db2.gz VEXJMTQEVHQOAO-SFHVURJKSA-N 0 0 416.543 2.979 40 0 HFABRN O=S(=O)(c1cccc(Cl)c1)N1CCO[C@H](c2nc(-c3ccccn3)no2)C1 ZINC000019403069 558884046 /nfs/dbraw/zinc/88/40/46/558884046.db2.gz AZTFHQWWHKITSM-HNNXBMFYSA-N 0 0 406.851 2.547 40 0 HFABRN CN(C(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1)c1ccc(F)cc1 ZINC000055751288 558884165 /nfs/dbraw/zinc/88/41/65/558884165.db2.gz NMXFOUPIKRDOAT-UHFFFAOYSA-N 0 0 415.284 2.872 40 0 HFABRN Cc1nnn(C23C[C@@H]4C[C@@H](CC(C(=O)N5CCN(c6ccccc6)CC5)(C4)C2)C3)n1 ZINC000013814779 558884650 /nfs/dbraw/zinc/88/46/50/558884650.db2.gz AAMIERAAHIMJMI-MGAZVUHYSA-N 0 0 406.534 2.626 40 0 HFABRN O=C(C1CCC1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CCN(Cc1ccncc1)C2 ZINC000019405333 558884685 /nfs/dbraw/zinc/88/46/85/558884685.db2.gz NBHYSUSNYOIYBI-FQEVSTJZSA-N 0 0 407.518 2.577 40 0 HFABRN COc1ccc(CNS(=O)(=O)c2ccc(Br)cc2)c(OC)c1OC ZINC000056105256 558884903 /nfs/dbraw/zinc/88/49/03/558884903.db2.gz NVQJUTHOIAVVQF-UHFFFAOYSA-N 0 0 416.293 2.953 40 0 HFABRN CC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc(C(=O)N[C@@H](C)CCN3CCOCC3)cc2N1 ZINC000019451158 558889298 /nfs/dbraw/zinc/88/92/98/558889298.db2.gz JOVAPHZGAVYNQM-OFQRWUPVSA-N 0 0 417.476 2.667 40 0 HFABRN CC(C)c1cc(C(F)(F)F)n2nc([C@H]3CCCN3C(=O)[C@H]3CCC(=O)N3)cc2n1 ZINC000019452310 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COc1cccc(CCCNC(=O)CCCN(c2ccccc2)S(C)(=O)=O)c1 ZINC000219167416 568487577 /nfs/dbraw/zinc/48/75/77/568487577.db2.gz IESOKNRCDUTGEH-UHFFFAOYSA-N 0 0 404.532 2.990 40 0 HFABRN COc1ccc(-c2noc(CN(C)C(=O)c3cccc(CN4CCOCC4)c3)n2)cc1 ZINC000219249043 568488532 /nfs/dbraw/zinc/48/85/32/568488532.db2.gz AEFYADRJXJMFIJ-UHFFFAOYSA-N 0 0 422.485 2.850 40 0 HFABRN CCCCCC[C@H](O)CC(=O)O[C@@H](CCCCCC)CC(=O)OC[C@H](O)CO ZINC000604381308 568489100 /nfs/dbraw/zinc/48/91/00/568489100.db2.gz GZABXBHVYJHMBS-OTWHNJEPSA-N 0 0 404.544 2.877 40 0 biogenic,in-vitro HFABRN C[C@@]1(O)CCN(Cc2cncnc2)[C@@H](c2cccs2)[C@@H]1NC(=O)C1CCCC1 ZINC000604383126 568489615 /nfs/dbraw/zinc/48/96/15/568489615.db2.gz NNAASQKSUUNJPV-IRFCIJBXSA-N 0 0 400.548 2.911 40 0 biogenic,in-vitro HFABRN C[C@@]1(O)CCN(C(=O)C2CCOCC2)[C@@H](c2ccccc2)[C@@H]1NC(=O)C1CCCC1 ZINC000604383269 568489662 /nfs/dbraw/zinc/48/96/62/568489662.db2.gz RBEKYDNIEUAPRN-AWRGLXIESA-N 0 0 414.546 2.813 40 0 biogenic,in-vitro HFABRN 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418.515 2.893 40 0 HFABRN CC[C@@H](C(=O)NCc1ccccc1OC)N(c1cccc(OC)c1)S(C)(=O)=O ZINC000220615866 568507534 /nfs/dbraw/zinc/50/75/34/568507534.db2.gz WDPCTBSZPBHQLE-SFHVURJKSA-N 0 0 406.504 2.565 40 0 HFABRN CC[C@@H](C(=O)Nc1ccccc1C(N)=O)N(c1ccc(C)c(Cl)c1)S(C)(=O)=O ZINC000220738209 568508965 /nfs/dbraw/zinc/50/89/65/568508965.db2.gz MSINFJYOCNOWAN-KRWDZBQOSA-N 0 0 423.922 2.931 40 0 HFABRN Cc1c(C(=O)NCCCN2CCCc3ccccc32)cccc1N(C)S(C)(=O)=O ZINC000222445676 568515910 /nfs/dbraw/zinc/51/59/10/568515910.db2.gz ATCRRQSFVWEMDN-UHFFFAOYSA-N 0 0 415.559 2.964 40 0 HFABRN Cc1ccc(C(=O)Nc2ccccc2C(=O)N2CCCC2)cc1N(C)S(C)(=O)=O ZINC000222453251 568516008 /nfs/dbraw/zinc/51/60/08/568516008.db2.gz HRCYBJYEMTZKHL-UHFFFAOYSA-N 0 0 415.515 2.879 40 0 HFABRN CCCNC(=O)c1ccccc1NC(=O)c1ccc(C)c(N(C)S(C)(=O)=O)c1 ZINC000222455918 568516135 /nfs/dbraw/zinc/51/61/35/568516135.db2.gz MHFJDHPNXKLTIO-UHFFFAOYSA-N 0 0 403.504 2.783 40 0 HFABRN COc1ccccc1N(CCCC(=O)NCCCc1ccccc1)S(C)(=O)=O ZINC000222584237 568519325 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3.455 40 0 HFABRN Cc1nc(/C=C/C(=O)N2CCC[C@H](Cc3cc(Nc4cnccn4)ncn3)C2)cs1 ZINC000585291173 571309765 /nfs/dbraw/zinc/30/97/65/571309765.db2.gz LGPFPOBPCXKOEK-DWTRPJMMSA-N 0 0 421.530 3.270 40 0 HFABRN Cc1nc(Nc2nccnc2[C@@H]2CCCN(C(=O)C=Cc3c[nH]cn3)C2)sc1C ZINC000585290809 571309904 /nfs/dbraw/zinc/30/99/04/571309904.db2.gz FXPGCAWKYDUPIO-LLYBFZRZSA-N 0 0 409.519 3.436 40 0 HFABRN Cc1nc(Nc2nccnc2[C@@H]2CCCN(C(=O)/C=C/c3ccnn3C)C2)sc1C ZINC000585293098 571309908 /nfs/dbraw/zinc/30/99/08/571309908.db2.gz WVGKMIXMYHGLNN-FYCOFBDGSA-N 0 0 423.546 3.446 40 0 HFABRN Cc1ccc(C(=O)N[C@H]2C[C@@H](c3nc(-c4ccc5c(c4)OCO5)no3)N(C)C2)cc1 ZINC000020464373 575366296 /nfs/dbraw/zinc/36/62/96/575366296.db2.gz DBMJRBZJNFLHQD-IRXDYDNUSA-N 0 0 406.442 2.949 40 0 biogenic,in-vitro HFABRN CC(C)C[C@@H]1[NH2+][C@H](C(=O)N2CCN(c3ncccn3)CC2)Cc2c[nH]c3cccc1c23 ZINC000049171441 291217186 /nfs/dbraw/zinc/21/71/86/291217186.db2.gz ZCAUATQZRVYYIM-SFTDATJTSA-N 0 0 418.545 2.908 40 0 biogenic,in-vitro HFABRN CCC(CC)C(=O)Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2Cc2ccccn2)cc1 ZINC000067896718 291218310 /nfs/dbraw/zinc/21/83/10/291218310.db2.gz RGBATWSCSQRNMO-IFMALSPDSA-N 0 0 411.502 2.917 40 0 biogenic,in-vitro HFABRN CCC(CC)C(=O)N1CCN2[C@@H](C1)CN(C(=O)NCc1ccccc1)CC2(C)C ZINC000253407446 291218314 /nfs/dbraw/zinc/21/83/14/291218314.db2.gz WKNAINRAWAZKBY-FQEVSTJZSA-N 0 0 400.567 2.939 40 0 biogenic,in-vitro HFABRN CC[C@H]1CN(S(=O)(=O)c2c(C)noc2C)CC[C@H]1CC(=O)Nc1nccs1 ZINC000005415217 291219796 /nfs/dbraw/zinc/21/97/96/291219796.db2.gz KXAJAZYNUPYDRI-KBPBESRZSA-N 0 0 412.537 2.814 40 0 biogenic,in-vitro HFABRN COC(=O)[C@@H]1Cc2ncn(Cc3ccc(OC)cc3)c2CN1C(=O)c1ccc(F)cc1 ZINC000012530281 291221151 /nfs/dbraw/zinc/22/11/51/291221151.db2.gz XDWAIEBNJNNTAP-FQEVSTJZSA-N 0 0 423.444 2.819 40 0 biogenic,in-vitro HFABRN COC(=O)[C@@H]1Cc2ncn(Cc3ccccc3)c2CN1C(=O)c1ccc(OC)cc1 ZINC000012530243 291221394 /nfs/dbraw/zinc/22/13/94/291221394.db2.gz VDDNNKIJLFRPTN-FQEVSTJZSA-N 0 0 405.454 2.680 40 0 biogenic,in-vitro HFABRN COCCN1c2ccccc2O[C@H]2C[C@@H](C1=O)N(C(=O)c1ccc(Cl)cc1)C2 ZINC000225479117 291221947 /nfs/dbraw/zinc/22/19/47/291221947.db2.gz FKWNOTBQGGZFRS-WMZOPIPTSA-N 0 0 400.862 2.995 40 0 biogenic,in-vitro HFABRN COc1cccc(NC(=O)N[C@@H]2[C@@H](c3ccc(C(F)(F)F)nc3)C[C@@H](O)[C@H]2O)c1 ZINC000077262045 291225618 /nfs/dbraw/zinc/22/56/18/291225618.db2.gz UMHMGSDWQARRLJ-MUIFIZLQSA-N 0 0 411.380 2.508 40 0 biogenic,in-vitro HFABRN COc1ccccc1NC(=O)N1C[C@H]2C[C@@H](C1)Cn1c2ccc(-c2cncnc2)c1=O ZINC000004237246 291226042 /nfs/dbraw/zinc/22/60/42/291226042.db2.gz HUPBUFJTMQFWLR-JKSUJKDBSA-N 0 0 417.469 2.965 40 0 biogenic,in-vitro HFABRN COc1ccc([C@H]2OC[C@@H]3[C@@H](c4ccc(OC)c(OC)c4)OC[C@]32O)cc1OC ZINC000004782962 291225574 /nfs/dbraw/zinc/22/55/74/291225574.db2.gz MEIWPHMJWJAVIY-FJGOKHBRSA-N 0 0 402.443 2.911 40 0 biogenic,in-vitro HFABRN C[C@H](O)c1onc(-c2ccc(Cl)cc2)c1C(=O)N1CCN(c2ncccn2)CC1 ZINC000225437432 291226647 /nfs/dbraw/zinc/22/66/47/291226647.db2.gz OYWROFLPJUACBL-ZDUSSCGKSA-N 0 0 413.865 2.801 40 0 biogenic,in-vitro HFABRN Cc1ccc(S(=O)(=O)Cc2noc([C@@H]3C[C@@H](O)CN3Cc3cccs3)n2)cc1 ZINC000015674567 291227016 /nfs/dbraw/zinc/22/70/16/291227016.db2.gz VLIYMKWCFYLDCF-PBHICJAKSA-N 0 0 419.528 2.721 40 0 biogenic,in-vitro HFABRN O=C(N[C@H]1CO[C@H]2[C@@H]1OC[C@@H]2n1cc(CC2CCCCC2)nn1)C1CCCCC1 ZINC000005409775 291228400 /nfs/dbraw/zinc/22/84/00/291228400.db2.gz KZFVAIZLKZENDH-UWHLTILDSA-N 0 0 402.539 2.805 40 0 biogenic,in-vitro HFABRN O=C(Cc1cccs1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)c(NC(=O)c3ccco3)ccc12 ZINC000004258966 291228902 /nfs/dbraw/zinc/22/89/02/291228902.db2.gz GSMLOEKSZWIIIP-LSDHHAIUSA-N 0 0 423.494 2.944 40 0 biogenic,in-vitro HFABRN O=C(Nc1ccccc1)[C@H]1C[N@H+]2CC[C@H]1C[C@@H]2Cn1cc(C2(O)CCCCC2)nn1 ZINC000008298330 291229250 /nfs/dbraw/zinc/22/92/50/291229250.db2.gz MQPNCVVPGQCVFK-SXLOBPIMSA-N 0 0 409.534 2.779 40 0 biogenic,in-vitro HFABRN CCCc1cc(N2CCC[C@@H](C(=O)Nc3c(OC)cccc3OC)C2)n2ncnc2n1 ZINC000004399995 132276439 /nfs/dbraw/zinc/27/64/39/132276439.db2.gz QEGSZBFHOVHQNS-OAHLLOKOSA-N 0 0 424.505 2.949 40 0 HFABRN CCOC(=O)C1=NN(c2ccccc2)[C@H](c2ccc3c(c2)OCO3)N(C(C)=O)N1C ZINC000004557845 132278521 /nfs/dbraw/zinc/27/85/21/132278521.db2.gz HRTWKDCDMVRQSM-FQEVSTJZSA-N 0 0 410.430 2.506 40 0 HFABRN CC(=O)N1CCCc2cc(S(=O)(=O)Nc3cccc(N4CCCC4=O)c3)ccc21 ZINC000007325440 132323917 /nfs/dbraw/zinc/32/39/17/132323917.db2.gz TUKTXNRPYOMMSP-UHFFFAOYSA-N 0 0 413.499 2.913 40 0 HFABRN CNc1nc(N2CCN(C(=O)c3ccco3)CC2)nc2c1C(=O)C[C@@H](c1ccco1)C2 ZINC000009937833 132344343 /nfs/dbraw/zinc/34/43/43/132344343.db2.gz ITXGTTLZHMEZAT-AWEZNQCLSA-N 0 0 421.457 2.579 40 0 HFABRN Cc1cccc(N2CCN(S(=O)(=O)c3ccc(N4CCCC4=O)cc3)CC2)c1C ZINC000012198432 132356604 /nfs/dbraw/zinc/35/66/04/132356604.db2.gz XXSMWMYKRRPUMK-UHFFFAOYSA-N 0 0 413.543 2.941 40 0 HFABRN CC(=O)NCC(=O)N1CCC[C@H]1c1nc(N)ncc1-c1ccc(C(F)(F)F)cc1 ZINC000072354881 519650156 /nfs/dbraw/zinc/65/01/56/519650156.db2.gz DQKBLJBWWHSMNN-HNNXBMFYSA-N 0 0 407.396 2.544 40 0 HFABRN CC(=O)Nc1ccc(S(=O)(=O)N2C[C@H]3[C@H](CC[C@]3(O)c3ccc(C)cc3)C2)cc1 ZINC000072340406 519730939 /nfs/dbraw/zinc/73/09/39/519730939.db2.gz RPTKCXNQUDROPR-WTNAPCKOSA-N 0 0 414.527 2.872 40 0 HFABRN CCNC(=S)Nc1nc(Sc2ncccn2)cc(Sc2ncccn2)n1 ZINC000225883341 519903363 /nfs/dbraw/zinc/90/33/63/519903363.db2.gz ZNKBIFMMHNIJNF-UHFFFAOYSA-N 0 0 402.534 2.665 40 0 HFABRN CCN(CC(=O)N(C)Cc1ccc(OC)cc1)S(=O)(=O)c1cc(C)ccc1C ZINC000225931230 520302330 /nfs/dbraw/zinc/30/23/30/520302330.db2.gz WXVGETKBWOYZAT-UHFFFAOYSA-N 0 0 404.532 2.981 40 0 HFABRN CCOc1ccc([C@H](C)NC(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)cc1 ZINC000044846563 521252550 /nfs/dbraw/zinc/25/25/50/521252550.db2.gz JPXXUCVTQSUFSK-INIZCTEOSA-N 0 0 405.520 2.576 40 0 HFABRN CCOc1cccc(CNC(=O)[C@@H](C)N(c2ccc(OC)cc2)S(C)(=O)=O)c1 ZINC000044850103 521354695 /nfs/dbraw/zinc/35/46/95/521354695.db2.gz GIFSGJKNNIEZLE-OAHLLOKOSA-N 0 0 406.504 2.565 40 0 HFABRN CCOc1cccc(CNC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)c1 ZINC000020459933 521356842 /nfs/dbraw/zinc/35/68/42/521356842.db2.gz PTDSAHBGETTYJI-GOSISDBHSA-N 0 0 424.906 2.582 40 0 HFABRN CCN(Cc1ccco1)S(=O)(=O)c1nnc(NC(=O)c2ccc(F)cc2)s1 ZINC000041085525 521401811 /nfs/dbraw/zinc/40/18/11/521401811.db2.gz UMHRBXOQNDXACO-UHFFFAOYSA-N 0 0 410.452 2.733 40 0 HFABRN CCN(c1ccc(OCC(=O)Nc2ccc(OC)c(OC)c2)cc1)S(C)(=O)=O ZINC000019937777 521493212 /nfs/dbraw/zinc/49/32/12/521493212.db2.gz CXZOWQQFTMKYRK-UHFFFAOYSA-N 0 0 408.476 2.507 40 0 HFABRN CCN1CCN(C(=O)[C@H]2CCC(=O)N2)[C@@H](Cc2ccccc2-c2cccc(C)c2)C1=O ZINC000072351624 521668644 /nfs/dbraw/zinc/66/86/44/521668644.db2.gz NWLLLBTZVKIWJN-YADHBBJMSA-N 0 0 419.525 2.542 40 0 HFABRN CC[C@H](NC(=O)[C@H]1CN(S(=O)(=O)CC)c2ccccc2O1)c1ccc(OC)cc1 ZINC000020047402 522515555 /nfs/dbraw/zinc/51/55/55/522515555.db2.gz AOEYZPBSMYRUJW-FXAWDEMLSA-N 0 0 418.515 2.880 40 0 HFABRN CC[C@H]1CCc2c(sc(N3C(=O)[C@H]4[C@H]5CC[C@H](O5)[C@H]4C3=O)c2C(=O)NC2CC2)C1 ZINC000017089959 523209007 /nfs/dbraw/zinc/20/90/07/523209007.db2.gz BHLXJTSIEIHJMO-YHUJOOKZSA-N 0 0 414.527 2.822 40 0 HFABRN COCc1nn2c(ncc3c2ccn(CCc2c[nH]cn2)c3=O)c1-c1ccccc1 ZINC000040396477 523248095 /nfs/dbraw/zinc/24/80/95/523248095.db2.gz ISGBTZRGQHVOOY-UHFFFAOYSA-N 0 0 400.442 2.823 40 0 HFABRN COc1ccc(C)cc1NC(=O)[C@@H]1CC(=O)Nc2nc(Nc3ccccc3)[nH]c(=O)c21 ZINC000040399231 523837242 /nfs/dbraw/zinc/83/72/42/523837242.db2.gz ZELHMVMHRPRANM-CQSZACIVSA-N 0 0 419.441 2.895 40 0 HFABRN COC(=O)[C@H]1CN(C(=O)c2cn3c4c(cccc4c2=O)C[C@H]3C)c2ccccc2O1 ZINC000225861915 523973906 /nfs/dbraw/zinc/97/39/06/523973906.db2.gz COGOPTRLQQZZEZ-BFUOFWGJSA-N 0 0 404.422 2.699 40 0 HFABRN Cc1ccc(C)c(N(CC(=O)N2c3ccccc3C[C@@H]2C)S(=O)(=O)N(C)C)c1 ZINC000044883590 524117365 /nfs/dbraw/zinc/11/73/65/524117365.db2.gz LZAHRORGSVKCPZ-KRWDZBQOSA-N 0 0 401.532 2.894 40 0 HFABRN Cc1ccc(C)c([C@@H](C)NC(=O)CN(c2ccccc2F)S(=O)(=O)N(C)C)c1 ZINC000020450896 524204586 /nfs/dbraw/zinc/20/45/86/524204586.db2.gz WBVFHCRQQLGXBO-MRXNPFEDSA-N 0 0 407.511 2.933 40 0 HFABRN COc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(SC)cc2)c(OC)c1 ZINC000225697952 524490844 /nfs/dbraw/zinc/49/08/44/524490844.db2.gz BSXDKPMEBMLQGB-UHFFFAOYSA-N 0 0 410.517 2.685 40 0 HFABRN COc1ccc(OC)c(N2C(SCc3ccccc3)=N[C@@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC000032640576 524843071 /nfs/dbraw/zinc/84/30/71/524843071.db2.gz QWAAOHDIWFVSKV-AEFFLSMTSA-N 0 0 418.540 2.979 40 0 HFABRN COc1ccc(O[C@@H](C)C(=O)Nc2cc(S(=O)(=O)NC(C)C)ccc2OC)cc1 ZINC000020104625 524980989 /nfs/dbraw/zinc/98/09/89/524980989.db2.gz ALVUKGGQBHHGKD-AWEZNQCLSA-N 0 0 422.503 2.797 40 0 HFABRN COc1ccc([C@@H](C)NC(=O)CN(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1 ZINC000020014226 525133355 /nfs/dbraw/zinc/13/33/55/525133355.db2.gz SBWORRJHNDLHRZ-CQSZACIVSA-N 0 0 410.923 2.988 40 0 HFABRN Cc1ccc(OC[C@@H](C)NS(=O)(=O)c2ccc3c(c2)sc(=O)n3C)cc1C ZINC000225683813 525429775 /nfs/dbraw/zinc/42/97/75/525429775.db2.gz KLTMDCMVKGMNFP-CQSZACIVSA-N 0 0 406.529 2.963 40 0 HFABRN Cc1cc(-c2cc(=O)n(CC(=O)NCCc3ccco3)nc2-c2cccs2)on1 ZINC000072337295 526036807 /nfs/dbraw/zinc/03/68/07/526036807.db2.gz AJWDBFGUUBXLFR-UHFFFAOYSA-N 0 0 410.455 2.887 40 0 HFABRN O=S1(=O)C[C@@H]2N=C(SCCOc3ccccc3)N(c3ccccc3F)[C@H]2C1 ZINC000032640646 527313980 /nfs/dbraw/zinc/31/39/80/527313980.db2.gz FFLMDCCGRUAYJT-WMZOPIPTSA-N 0 0 406.504 2.980 40 0 HFABRN O=C(Cn1c2cccnc2n(Cc2ccco2)c1=O)NC12CC3CC(CC(C3)C1)C2 ZINC000072346871 527361534 /nfs/dbraw/zinc/36/15/34/527361534.db2.gz PUIBXPHJBYELNX-UHFFFAOYSA-N 0 0 406.486 2.924 40 0 HFABRN OCCCNc1nc(Nc2ccccc2OC(F)(F)F)cc(-c2ccncc2)n1 ZINC000329030360 527541756 /nfs/dbraw/zinc/54/17/56/527541756.db2.gz QDNXIIUICFHAOE-UHFFFAOYSA-N 0 0 405.380 2.819 40 0 HFABRN Cc1ccc([C@H](O)[C@](Br)(I)S(C)(=O)=O)cc1 ZINC000096521000 558964141 /nfs/dbraw/zinc/96/41/41/558964141.db2.gz LULAKVHVWKZLQT-UWVGGRQHSA-N 0 0 419.078 2.557 40 0 HFABRN Cc1ccc(Cl)cc1NC(=O)COc1ccc(N2C[C@H](C(N)=O)CC2=O)cc1 ZINC000000794258 557082472 /nfs/dbraw/zinc/08/24/72/557082472.db2.gz TXBMTLAMGFOYCI-CYBMUJFWSA-N 0 0 401.850 2.504 40 0 HFABRN Cc1ccc(-c2nnn(CC(=O)N(CC(=O)NC3CCCCC3)C(C)(C)C)n2)cc1 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ZINC000019759390 558275935 /nfs/dbraw/zinc/27/59/35/558275935.db2.gz NSEBYJUIPQIIHV-QFIPXVFZSA-N 0 0 424.545 2.759 40 0 HFABRN Cc1n[nH]cc1C(=O)N1CCC[C@H](c2ncc(C(=O)NCc3ccccc3)c(C)n2)C1 ZINC000019763483 558277414 /nfs/dbraw/zinc/27/74/14/558277414.db2.gz VIMMLHNOEQHPNA-SFHVURJKSA-N 0 0 418.501 2.766 40 0 HFABRN Cc1nc([C@@H]2CCCN(CC(=O)N3CCCC3)C2)ncc1C(=O)NCc1ccccc1 ZINC000019766323 558278565 /nfs/dbraw/zinc/27/85/65/558278565.db2.gz MBDIAHKIYKPBJD-HXUWFJFHSA-N 0 0 421.545 2.517 40 0 HFABRN COc1ccc([C@H](C)NC(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)cc1 ZINC000019930780 558310092 /nfs/dbraw/zinc/31/00/92/558310092.db2.gz JOPCQMAOLJOKEU-HNNXBMFYSA-N 0 0 402.516 2.946 40 0 HFABRN CS(=O)(=O)Nc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)c(Cl)c1 ZINC000019933167 558311064 /nfs/dbraw/zinc/31/10/64/558311064.db2.gz LMGYQEORLMOUOC-UHFFFAOYSA-N 0 0 407.923 2.670 40 0 HFABRN COCCCNC(=O)C[C@@H](c1ccc(OC)cc1)N(C)S(=O)(=O)c1ccccc1 ZINC000019935809 558312024 /nfs/dbraw/zinc/31/20/24/558312024.db2.gz IERLWSHUGOOUEF-FQEVSTJZSA-N 0 0 420.531 2.600 40 0 HFABRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(OC)c(C)c1 ZINC000020008456 558318511 /nfs/dbraw/zinc/31/85/11/558318511.db2.gz FYFSPMNVOPUIEZ-VQIMIIECSA-N 0 0 404.532 2.808 40 0 HFABRN CCS(=O)(=O)N1CCC(C(=O)N[C@@H](C)c2cccc(Br)c2)CC1 ZINC000020018587 558320528 /nfs/dbraw/zinc/32/05/28/558320528.db2.gz AFWMMUPNSKMCLG-LBPRGKRZSA-N 0 0 403.342 2.688 40 0 HFABRN CCS(=O)(=O)N1CCC(C(=O)N[C@H](C)c2ccc(Br)cc2)CC1 ZINC000020018559 558320545 /nfs/dbraw/zinc/32/05/45/558320545.db2.gz IBDLDFVFKBTCPR-GFCCVEGCSA-N 0 0 403.342 2.688 40 0 HFABRN Cc1ccc2c(c1)N[C@]1(CCC(=O)N([C@H](C)C(=O)N3CCCCCC3)CC1)NC2=O ZINC000012086519 558321791 /nfs/dbraw/zinc/32/17/91/558321791.db2.gz GKZXLVHXXVIHRG-UZUQRXQVSA-N 0 0 412.534 2.650 40 0 HFABRN Cn1cc(Cl)c(C(=O)N[C@@H]2C[C@]3(CCC(=O)N(C)CC3)Oc3ccccc32)n1 ZINC000012086472 558321859 /nfs/dbraw/zinc/32/18/59/558321859.db2.gz NAMQACIOFCNGKH-FOIQADDNSA-N 0 0 402.882 2.708 40 0 HFABRN Cc1nc(NC2CCN(CC(=O)Nc3cccc(C(F)(F)F)c3)CC2)[nH]c(=O)c1C ZINC000012113675 558327080 /nfs/dbraw/zinc/32/70/80/558327080.db2.gz UJNLSBOOHDZCNB-UHFFFAOYSA-N 0 0 423.439 2.921 40 0 HFABRN COc1cc(CC(=O)N2[C@@H]3CC[C@H]2CC(O)(c2ccco2)C3)cc(OC)c1OC ZINC000012114600 558327663 /nfs/dbraw/zinc/32/76/63/558327663.db2.gz QGJJNSPGEXTBMG-XVQYUUQNSA-N 0 0 401.459 2.889 40 0 HFABRN CC[C@@H](NC(=O)[C@H]1CN(S(=O)(=O)CC)c2ccccc2O1)c1ccc(OC)cc1 ZINC000020047399 558327741 /nfs/dbraw/zinc/32/77/41/558327741.db2.gz AOEYZPBSMYRUJW-YLJYHZDGSA-N 0 0 418.515 2.880 40 0 HFABRN CS(=O)(=O)N1C[C@H](C(=O)NCc2ccc(Cl)cc2)Oc2ccc(Cl)cc21 ZINC000020048101 558328054 /nfs/dbraw/zinc/32/80/54/558328054.db2.gz WQXALMIOZUALIB-MRXNPFEDSA-N 0 0 415.298 2.837 40 0 HFABRN Cc1cc(-c2c[nH]nc2[C@@H]2CCCN(CC(=O)Nc3ccc4c(c3)OCO4)C2)on1 ZINC000012115927 558328102 /nfs/dbraw/zinc/32/81/02/558328102.db2.gz XQNRFWQISJUAFF-CQSZACIVSA-N 0 0 409.446 2.920 40 0 HFABRN Cc1nccn1C[C@@H](C)C(=O)N1CCC[C@@H](n2nc(-c3cccs3)ccc2=O)C1 ZINC000012116214 558328323 /nfs/dbraw/zinc/32/83/23/558328323.db2.gz KPXTYDFTNXKFHW-NVXWUHKLSA-N 0 0 411.531 2.977 40 0 HFABRN Cc1cccnc1C1(O)CCN(C(=O)Cc2nn(C(C)C)c(=O)c3ccccc32)CC1 ZINC000012117336 558329066 /nfs/dbraw/zinc/32/90/66/558329066.db2.gz ATAVYFQIWKPZQX-UHFFFAOYSA-N 0 0 420.513 2.734 40 0 HFABRN C[C@@H]1CCc2noc(C3CCN(C(=O)Cn4ncc5ccccc5c4=O)CC3)c2C1 ZINC000012119872 558330292 /nfs/dbraw/zinc/33/02/92/558330292.db2.gz ANDTWVCAJUSQOZ-OAHLLOKOSA-N 0 0 406.486 2.916 40 0 HFABRN Cc1cc(-c2cncnc2[C@H]2CCCN(C(=O)CCn3nnc4ccccc43)C2)on1 ZINC000012127920 558331528 /nfs/dbraw/zinc/33/15/28/558331528.db2.gz UURCMBWDEPMVGI-INIZCTEOSA-N 0 0 417.473 2.981 40 0 HFABRN C[C@@H](CCc1ccccc1)NC(=O)CN1CCC2(CC1)NC(=O)c1ccccc1O2 ZINC000012145849 558337163 /nfs/dbraw/zinc/33/71/63/558337163.db2.gz OSHOWEBYMHEWPB-SFHVURJKSA-N 0 0 407.514 2.738 40 0 HFABRN O=C(CN1N=C(c2ccccc2)Cn2c3ccsc3cc2C1=O)N1CCC[C@@H](O)C1 ZINC000012145900 558337386 /nfs/dbraw/zinc/33/73/86/558337386.db2.gz YPZYOERTFIMAGJ-MRXNPFEDSA-N 0 0 422.510 2.546 40 0 HFABRN COCCN(C(=O)Cc1ccccc1OC)c1nc2c(s1)CCc1c-2cnn1C ZINC000012146081 558337509 /nfs/dbraw/zinc/33/75/09/558337509.db2.gz PWSUFGOQWKEQHH-UHFFFAOYSA-N 0 0 412.515 2.873 40 0 HFABRN CCn1nc(C)c(C(=O)NCCn2nc3c(C)cc4ccc(C)cc4n3c2=O)c1C ZINC000012146428 558337918 /nfs/dbraw/zinc/33/79/18/558337918.db2.gz ZWRTZRFMWOOTQY-UHFFFAOYSA-N 0 0 406.490 2.529 40 0 HFABRN Cc1nn(CC(=O)N2CCN(Cc3ccco3)C[C@@H]2C(C)C)c(=O)c2ccccc12 ZINC000012156472 558340456 /nfs/dbraw/zinc/34/04/56/558340456.db2.gz WKWNJQVTGPFIJO-OAQYLSRUSA-N 0 0 408.502 2.667 40 0 HFABRN COc1ccc([C@@H]2CN(C(=O)c3ccnc(OC)c3)C[C@H]2c2cc(=O)[nH]c(C)n2)cc1 ZINC000012163618 558342233 /nfs/dbraw/zinc/34/22/33/558342233.db2.gz SUZFQKBDNORCPY-RBUKOAKNSA-N 0 0 420.469 2.926 40 0 HFABRN COc1ccc2c(c1)O[C@]1(C[C@H]3CC[C@@H]1C[C@@H]3C(=O)Nc1c(C)nn(C)c1C)NC2=O ZINC000012185351 558344750 /nfs/dbraw/zinc/34/47/50/558344750.db2.gz UFZJEDSAHODELU-YMPLYOIOSA-N 0 0 424.501 2.939 40 0 HFABRN Cc1nn(CC(=O)N[C@@H](Cn2nc(-c3cccs3)ccc2=O)C(C)C)c(C)c1C ZINC000012185589 558344942 /nfs/dbraw/zinc/34/49/42/558344942.db2.gz IXEGWUVQCOSXMU-SFHVURJKSA-N 0 0 413.547 2.935 40 0 HFABRN CN(C)S(=O)(=O)N(C)c1ccc(C(=O)NCCCc2ccc(Cl)cc2)cc1 ZINC000020244460 558350968 /nfs/dbraw/zinc/35/09/68/558350968.db2.gz DUKCDNAAFHSKHI-UHFFFAOYSA-N 0 0 409.939 2.945 40 0 HFABRN Cc1ccccc1CSCCNC(=O)c1ccc(N(C)S(=O)(=O)N(C)C)cc1 ZINC000020245699 558351546 /nfs/dbraw/zinc/35/15/46/558351546.db2.gz GNHSOVNWLSFBOR-UHFFFAOYSA-N 0 0 421.588 2.901 40 0 HFABRN CC(C)n1c2ccc(S(=O)(=O)NC[C@@H](c3ccc(F)cc3)N(C)C)cc2oc1=O ZINC000012220626 558355659 /nfs/dbraw/zinc/35/56/59/558355659.db2.gz GAYZMRDTTMCKIS-SFHVURJKSA-N 0 0 421.494 2.896 40 0 HFABRN COc1nc(C)c(CC(=O)N2CCC(c3cc4ncccc4cn3)CC2)c(OC)n1 ZINC000012224222 558356779 /nfs/dbraw/zinc/35/67/79/558356779.db2.gz CWIKFHBISFPNIL-UHFFFAOYSA-N 0 0 407.474 2.694 40 0 HFABRN CCOc1ccc(O[C@H](C)C(=O)N2CCC(c3nn(C)c4nccnc34)CC2)cc1 ZINC000012228598 558357311 /nfs/dbraw/zinc/35/73/11/558357311.db2.gz QTAPQLOPAMSWGU-OAHLLOKOSA-N 0 0 409.490 2.936 40 0 HFABRN COc1ccc([C@@H]2CN(C(=O)c3cnc(C)cn3)C[C@H]2c2ccnc(C)n2)cc1OC ZINC000012235226 558358569 /nfs/dbraw/zinc/35/85/69/558358569.db2.gz VOWQPGQSOOADSW-ZWKOTPCHSA-N 0 0 419.485 2.924 40 0 HFABRN O=C(CCCOc1ccccc1F)N1CCc2c(=O)[nH]c(-c3cnccn3)nc2C1 ZINC000012258290 558363191 /nfs/dbraw/zinc/36/31/91/558363191.db2.gz PBTAAEFADHFTIV-UHFFFAOYSA-N 0 0 409.421 2.522 40 0 HFABRN CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000020454531 558368355 /nfs/dbraw/zinc/36/83/55/558368355.db2.gz NDBKBBXZUNCSDD-IBGZPJMESA-N 0 0 422.478 2.643 40 0 HFABRN CN(C)S(=O)(=O)N1CCC[C@H](C(=O)Nc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000020459635 558371996 /nfs/dbraw/zinc/37/19/96/558371996.db2.gz VVKIZHSQDZSJNM-JTQLQIEISA-N 0 0 413.849 2.816 40 0 HFABRN COc1cc(OC)cc(C(=O)Nc2cc(S(=O)(=O)NC(C)C)ccc2OC)c1 ZINC000020460064 558372450 /nfs/dbraw/zinc/37/24/50/558372450.db2.gz KXCJRPZMYKAVMQ-UHFFFAOYSA-N 0 0 408.476 2.651 40 0 HFABRN CS(=O)(=O)N1C[C@@H](C(=O)N2CCC(Cc3ccccc3)CC2)Oc2ccccc21 ZINC000020460578 558372604 /nfs/dbraw/zinc/37/26/04/558372604.db2.gz HSKUBWLKINCYMU-NRFANRHFSA-N 0 0 414.527 2.695 40 0 HFABRN COc1ccc(C)cc1NC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1 ZINC000020484332 558376256 /nfs/dbraw/zinc/37/62/56/558376256.db2.gz UWZZHTLHDUUMGQ-KRWDZBQOSA-N 0 0 410.879 2.823 40 0 HFABRN CCn1cc(S(=O)(=O)N2CCC(CCc3ccc(C(=O)OC)cc3)CC2)cn1 ZINC000012325347 558382966 /nfs/dbraw/zinc/38/29/66/558382966.db2.gz QXUSCAVFEFTZNM-UHFFFAOYSA-N 0 0 405.520 2.723 40 0 HFABRN O=C(CC[C@@H]1CCCO1)N1CCC([C@@H]2C[C@H](C(F)(F)F)n3ncnc3N2)CC1 ZINC000012407836 558398725 /nfs/dbraw/zinc/39/87/25/558398725.db2.gz TZQIJLIPOGKOLP-SOUVJXGZSA-N 0 0 401.433 2.764 40 0 HFABRN CCc1ccc(-c2c3c(nc4nc(N5CCOCC5)[nH]c(=O)c42)CCCC3=O)cc1 ZINC000020673648 558399086 /nfs/dbraw/zinc/39/90/86/558399086.db2.gz HCENXKDBVCWOFF-UHFFFAOYSA-N 0 0 404.470 2.903 40 0 HFABRN CCOC(=O)[C@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@@H]1c1cccc(O)c1 ZINC000020802223 558415872 /nfs/dbraw/zinc/41/58/72/558415872.db2.gz ASXYRXRUCGQDIV-RTBURBONSA-N 0 0 409.442 2.504 40 0 HFABRN COC(=O)c1sc(NC(=O)CSc2nnnn2-c2cc(C)ccc2C)nc1C ZINC000012711801 558452950 /nfs/dbraw/zinc/45/29/50/558452950.db2.gz GUGNDZFJEZJWOK-UHFFFAOYSA-N 0 0 418.504 2.561 40 0 HFABRN Cc1cccc(C)c1OCC(=O)NCCc1ccc(S(=O)(=O)NC(C)C)cc1 ZINC000022227189 558467136 /nfs/dbraw/zinc/46/71/36/558467136.db2.gz KRENNPOBGOQOQQ-UHFFFAOYSA-N 0 0 404.532 2.728 40 0 HFABRN O=C(COc1ccccc1)NCCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000022227060 558467167 /nfs/dbraw/zinc/46/71/67/558467167.db2.gz QJCLVAKDQKSAHD-UHFFFAOYSA-N 0 0 402.516 2.599 40 0 HFABRN COc1cc(C(=O)NCc2ccc(Cl)cc2)c(N(C)S(C)(=O)=O)cc1OC ZINC000022251241 558473111 /nfs/dbraw/zinc/47/31/11/558473111.db2.gz PSMJDBAINBJFPI-UHFFFAOYSA-N 0 0 412.895 2.683 40 0 HFABRN CCN(c1cc(OC)c(OC)cc1C(=O)NCc1ccc(C)cc1)S(C)(=O)=O ZINC000022251790 558473393 /nfs/dbraw/zinc/47/33/93/558473393.db2.gz NMYNCANLHCLICB-UHFFFAOYSA-N 0 0 406.504 2.728 40 0 HFABRN CCN(c1cc(OC)c(OC)cc1C(=O)N1CCc2ccccc2C1)S(C)(=O)=O ZINC000022252190 558473566 /nfs/dbraw/zinc/47/35/66/558473566.db2.gz LOZRWUQTVVFBHF-UHFFFAOYSA-N 0 0 418.515 2.688 40 0 HFABRN CCNC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(OCC)c(Cl)c1 ZINC000022269262 558475182 /nfs/dbraw/zinc/47/51/82/558475182.db2.gz YNJXGVLRLQGGGB-QGZVFWFLSA-N 0 0 410.923 2.764 40 0 HFABRN COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CN(c1ccccc1)S(C)(=O)=O ZINC000022326655 558478375 /nfs/dbraw/zinc/47/83/75/558478375.db2.gz BVTFVNKLWBWLLD-SFHVURJKSA-N 0 0 418.515 2.880 40 0 HFABRN COc1cccc(CCCNC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)c1 ZINC000022330851 558479909 /nfs/dbraw/zinc/47/99/09/558479909.db2.gz PLSKLHJXTMCIDE-UHFFFAOYSA-N 0 0 410.923 2.864 40 0 HFABRN CCOc1ccc(N(CC(=O)NCc2cccc(OC(C)C)c2)S(C)(=O)=O)cc1 ZINC000022333142 558480539 /nfs/dbraw/zinc/48/05/39/558480539.db2.gz KUEIBECMOXJAGU-UHFFFAOYSA-N 0 0 420.531 2.955 40 0 HFABRN COc1ccc(N(CC(=O)N[C@H](C)c2cc(C)ccc2C)S(C)(=O)=O)cc1OC ZINC000022334133 558480833 /nfs/dbraw/zinc/48/08/33/558480833.db2.gz WJLCOVLZHSQKJV-MRXNPFEDSA-N 0 0 420.531 2.964 40 0 HFABRN COc1ccc(OC)c(N(CC(=O)N[C@@H](C)c2ccc(C)cc2C)S(C)(=O)=O)c1 ZINC000022334065 558480901 /nfs/dbraw/zinc/48/09/01/558480901.db2.gz NSFLXZQPKQIENJ-INIZCTEOSA-N 0 0 420.531 2.964 40 0 HFABRN Cc1ccc(OC[C@@H](C)NC(=O)CN(c2cccc(C)c2C)S(C)(=O)=O)cc1 ZINC000022340701 558482277 /nfs/dbraw/zinc/48/22/77/558482277.db2.gz VZVNHCPRUOLCGT-QGZVFWFLSA-N 0 0 404.532 2.962 40 0 HFABRN Cc1ccc(C)c([C@H](C)NC(=O)CN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)c1 ZINC000022372462 558483892 /nfs/dbraw/zinc/48/38/92/558483892.db2.gz RTCKLKLVLBUSPP-INIZCTEOSA-N 0 0 418.515 2.718 40 0 HFABRN CCOC(=O)c1ccccc1NC(=O)CN(c1cccc(OCC)c1)S(C)(=O)=O ZINC000022381811 558484711 /nfs/dbraw/zinc/48/47/11/558484711.db2.gz CPFGZWZTGHLSGF-UHFFFAOYSA-N 0 0 420.487 2.667 40 0 HFABRN CCOc1cccc(N(CC(=O)NCCSCc2ccccc2)S(C)(=O)=O)c1 ZINC000022384679 558485317 /nfs/dbraw/zinc/48/53/17/558485317.db2.gz JAQFMVOKTFUDDX-UHFFFAOYSA-N 0 0 422.572 2.901 40 0 HFABRN CCOc1cccc(N(CC(=O)N[C@@H](C)COc2ccccc2C)S(C)(=O)=O)c1 ZINC000022425694 558488818 /nfs/dbraw/zinc/48/88/18/558488818.db2.gz IHABRMWTEGDAKE-KRWDZBQOSA-N 0 0 420.531 2.743 40 0 HFABRN Cc1nccn1-c1ccccc1CNC(=O)CN(c1ccc(C)cc1)S(C)(=O)=O ZINC000022432232 558489440 /nfs/dbraw/zinc/48/94/40/558489440.db2.gz BDJWTBOPDMQJQI-UHFFFAOYSA-N 0 0 412.515 2.572 40 0 HFABRN Cc1nccn1-c1ccc(CNC(=O)CN(c2ccc(C)cc2)S(C)(=O)=O)cc1 ZINC000022432238 558489502 /nfs/dbraw/zinc/48/95/02/558489502.db2.gz SFAKLMDQAJOYLP-UHFFFAOYSA-N 0 0 412.515 2.572 40 0 HFABRN COc1ccc(OC[C@H](C)NC(=O)CN(c2ccc(C)cc2C)S(C)(=O)=O)cc1 ZINC000022432301 558489687 /nfs/dbraw/zinc/48/96/87/558489687.db2.gz XSMTWXQCPKPLIM-KRWDZBQOSA-N 0 0 420.531 2.662 40 0 HFABRN COc1ccccc1N1CCN(C[C@H]2CN3C(=N2)c2ccccc2N(C)C3=O)CC1 ZINC000022454193 558490167 /nfs/dbraw/zinc/49/01/67/558490167.db2.gz OULFYKAESNCMFJ-KRWDZBQOSA-N 0 0 405.502 2.518 40 0 in-vitro HFABRN CS(=O)(=O)N1C[C@@H](C(=O)NCCCc2ccccc2)Oc2ccc(Cl)cc21 ZINC000022515455 558493923 /nfs/dbraw/zinc/49/39/23/558493923.db2.gz BQAZCSJNFLGMFO-SFHVURJKSA-N 0 0 408.907 2.616 40 0 HFABRN CN(C)S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1 ZINC000022529703 558496592 /nfs/dbraw/zinc/49/65/92/558496592.db2.gz YTGKVIUCYMZXMP-SNVBAGLBSA-N 0 0 413.849 2.816 40 0 HFABRN CCN1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccc(F)cc3)c(F)c2)CC1 ZINC000037093236 558507273 /nfs/dbraw/zinc/50/72/73/558507273.db2.gz AWZOKNYUUHWJGN-UHFFFAOYSA-N 0 0 409.458 2.543 40 0 HFABRN COc1ccc(C)cc1NC(=O)c1cc(OC)c(OC)cc1N(C)S(C)(=O)=O ZINC000013582640 558545256 /nfs/dbraw/zinc/54/52/56/558545256.db2.gz XFZPNOTXMZBAFA-UHFFFAOYSA-N 0 0 408.476 2.669 40 0 HFABRN COc1cc(C(=O)Nc2cccc(C(C)=O)c2)c(N(C)S(C)(=O)=O)cc1OC ZINC000013582653 558545261 /nfs/dbraw/zinc/54/52/61/558545261.db2.gz BRWWMPNWAXHSAR-UHFFFAOYSA-N 0 0 406.460 2.555 40 0 HFABRN CCOC(=O)c1cccc(NC(=O)[C@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)c1 ZINC000013612581 558549015 /nfs/dbraw/zinc/54/90/15/558549015.db2.gz JHCAZFJGCCVJNC-HNNXBMFYSA-N 0 0 404.488 2.965 40 0 HFABRN CCS(=O)(=O)N(CC(=O)N1c2ccccc2C[C@@H]1C)c1ccc2c(c1)OCO2 ZINC000013668794 558560742 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ZINC000008041206 569339226 /nfs/dbraw/zinc/33/92/26/569339226.db2.gz PATZSHLZCFDJFX-KRWDZBQOSA-N 0 0 418.515 2.730 40 0 HFABRN COC(=O)c1ccc(NC(=O)COC(=O)CCCC(=O)Nc2ccc(F)cc2)cc1 ZINC000008417038 569340678 /nfs/dbraw/zinc/34/06/78/569340678.db2.gz IGLBSJWPPTWLHB-UHFFFAOYSA-N 0 0 416.405 2.903 40 0 HFABRN CCOc1ccccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1 ZINC000008433788 569340922 /nfs/dbraw/zinc/34/09/22/569340922.db2.gz XDLNUGYDTGFMBS-OAHLLOKOSA-N 0 0 412.442 2.629 40 0 HFABRN CS(=O)(=O)N(CCCC(=O)Nc1ccc(C(N)=O)cc1)c1ccc(Cl)cc1 ZINC000008497178 569341712 /nfs/dbraw/zinc/34/17/12/569341712.db2.gz RXRSCXXIJZNZHC-UHFFFAOYSA-N 0 0 409.895 2.624 40 0 HFABRN Cc1ccccc1C(=O)NCc1nn(CC(=O)N[C@@H]2CCCC[C@H]2C)c(=S)n1C ZINC000008570972 569341750 /nfs/dbraw/zinc/34/17/50/569341750.db2.gz XVPBUMNHVBNOOP-NVXWUHKLSA-N 0 0 415.563 2.884 40 0 HFABRN Cc1ccccc1C(=O)NCc1nn(CC(=O)Nc2ccc(F)cc2)c(=S)n1C ZINC000008570979 569341770 /nfs/dbraw/zinc/34/17/70/569341770.db2.gz BZQYTBKXLAMUOM-UHFFFAOYSA-N 0 0 413.478 2.967 40 0 HFABRN CCOc1ccc(-c2n[nH]c(=O)c3c2[C@H](c2cccc(O)c2)n2nnnc2N3)cc1 ZINC000010296056 569343251 /nfs/dbraw/zinc/34/32/51/569343251.db2.gz UGZIERYRLPCOOK-SFHVURJKSA-N 0 0 403.402 2.635 40 0 HFABRN Cc1nc(C)c(C(=O)N2CCO[C@@H](c3ccc(-c4cccc(C(N)=O)c4)cn3)C2)o1 ZINC000019692445 569346001 /nfs/dbraw/zinc/34/60/01/569346001.db2.gz UOCSJNCLZLPOOS-LJQANCHMSA-N 0 0 406.442 2.666 40 0 HFABRN CCn1ccc(C(=O)N2CCO[C@H](c3nc(N(C)C)ncc3-c3ccc(F)cc3)C2)n1 ZINC000019692711 569346173 /nfs/dbraw/zinc/34/61/73/569346173.db2.gz QBGCTMOMIYIHMK-IBGZPJMESA-N 0 0 424.480 2.779 40 0 HFABRN CN(C)c1ncc(-c2cccc(F)c2)c([C@H]2CN(C(=O)Cc3ccccn3)CCO2)n1 ZINC000019692761 569346209 /nfs/dbraw/zinc/34/62/09/569346209.db2.gz USBPOYWCEHPOIR-HXUWFJFHSA-N 0 0 421.476 2.886 40 0 HFABRN COc1c(C)cccc1C(=O)N1CC[C@@H](c2nc(N(C)C)ncc2-c2cnn(C)c2)C1 ZINC000019693190 569346320 /nfs/dbraw/zinc/34/63/20/569346320.db2.gz VNPJFMDRVSKXOI-MRXNPFEDSA-N 0 0 420.517 2.890 40 0 HFABRN COCCc1ncc(CN2CCO[C@H](c3nccnc3-c3cccc(OC)c3)C2)cn1 ZINC000019693273 569346342 /nfs/dbraw/zinc/34/63/42/569346342.db2.gz QASGUILEBQRLMU-FQEVSTJZSA-N 0 0 421.501 2.705 40 0 HFABRN COCCc1ncc(CN2CCO[C@@H](c3nccnc3-c3cccc(OC)c3)C2)cn1 ZINC000019693272 569346362 /nfs/dbraw/zinc/34/63/62/569346362.db2.gz QASGUILEBQRLMU-HXUWFJFHSA-N 0 0 421.501 2.705 40 0 HFABRN Cc1nc(-c2cncnc2[C@@H]2CCN(S(=O)(=O)c3ccccc3Cl)C2)no1 ZINC000019693874 569346601 /nfs/dbraw/zinc/34/66/01/569346601.db2.gz XUZXIUYHHXRBRU-GFCCVEGCSA-N 0 0 405.867 2.667 40 0 HFABRN COc1ccc2c(c1)C=C(CN1CCO[C@H](c3ncncc3-c3noc(C)n3)C1)CO2 ZINC000019693761 569346608 /nfs/dbraw/zinc/34/66/08/569346608.db2.gz NHOJGRRGTTVJIR-FQEVSTJZSA-N 0 0 421.457 2.693 40 0 HFABRN CCN(CC)C(=O)CN1CCO[C@@H](c2nc(N(C)C)ncc2-c2cccc(F)c2)C1 ZINC000019694960 569346655 /nfs/dbraw/zinc/34/66/55/569346655.db2.gz ABLYNYZUBKQMHU-LJQANCHMSA-N 0 0 415.513 2.590 40 0 HFABRN COCC(=O)N1CC[C@@H](c2nc(C)c3c(n2)N(CCc2cccc(C)c2)C(=O)CC3)C1 ZINC000019695943 569346744 /nfs/dbraw/zinc/34/67/44/569346744.db2.gz MQEKTCOCAZQMMU-LJQANCHMSA-N 0 0 422.529 2.578 40 0 HFABRN CC(=O)N1CCC[C@@]1(Cc1cc(-c2ccccc2)no1)C(=O)NC[C@@H]1CCCOC1 ZINC000019696627 569346800 /nfs/dbraw/zinc/34/68/00/569346800.db2.gz FFFJYSMGNBEXJK-FDDCHVKYSA-N 0 0 411.502 2.808 40 0 HFABRN COc1ccc(-c2nc([C@H]3CCCN(C(=O)Cc4ccccn4)C3)[nH]c2C(N)=O)cc1 ZINC000019698981 569346944 /nfs/dbraw/zinc/34/69/44/569346944.db2.gz WPDPBKMXMVMEOK-INIZCTEOSA-N 0 0 419.485 2.528 40 0 HFABRN COCCNC(=O)c1sc2ncccc2c1[C@H]1CCN(C(=O)Cc2ccccn2)C1 ZINC000019702094 569347374 /nfs/dbraw/zinc/34/73/74/569347374.db2.gz SEDUTHDIIWCNTG-HNNXBMFYSA-N 0 0 424.526 2.626 40 0 HFABRN Nc1ncnc2nc([C@@H]3CN(C(=O)CCc4c[nH]c5ccccc45)CCO3)ccc12 ZINC000019704809 569347745 /nfs/dbraw/zinc/34/77/45/569347745.db2.gz GLNDXUGXCXAWMR-IBGZPJMESA-N 0 0 402.458 2.621 40 0 HFABRN CC(=O)N[C@@H]1C[C@H](C(C)C)O[C@H](c2cccc(NC(=O)Cn3nc(C)nc3C)c2)C1 ZINC000019712239 569348333 /nfs/dbraw/zinc/34/83/33/569348333.db2.gz RHOLYDWUZRTDBW-NJYVYQBISA-N 0 0 413.522 2.914 40 0 HFABRN CCOc1ccc(CC(=O)N2CC[C@H](c3ncc(C(=O)N4CCCC4)c(C)n3)C2)cc1 ZINC000019757719 569348838 /nfs/dbraw/zinc/34/88/38/569348838.db2.gz ZJWXXRDZCSSIPH-IBGZPJMESA-N 0 0 422.529 2.978 40 0 HFABRN Cc1cnc(C(=O)N2CCCC[C@@H]2c2ncc(C(=O)N3CCCCC3)c(C)n2)cn1 ZINC000019765710 569349042 /nfs/dbraw/zinc/34/90/42/569349042.db2.gz MFUCFZNLQWGJPV-LJQANCHMSA-N 0 0 408.506 2.877 40 0 HFABRN COc1ccc(NC(=O)c2cnc([C@@H]3CCN(C(=O)c4c[nH]nc4C)C3)nc2C)cc1 ZINC000019766242 569349043 /nfs/dbraw/zinc/34/90/43/569349043.db2.gz KQGDUPNKODXJQV-OAHLLOKOSA-N 0 0 420.473 2.707 40 0 HFABRN Cc1ncc(C(=O)NC2CC2)c([C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000019767098 569349078 /nfs/dbraw/zinc/34/90/78/569349078.db2.gz AAQCZSPYEUAQDS-QGZVFWFLSA-N 0 0 420.922 2.856 40 0 HFABRN CSc1ccc(S(=O)(=O)NCCCOC(C)C)cc1C(=O)N1CCCC1 ZINC000026115190 569349924 /nfs/dbraw/zinc/34/99/24/569349924.db2.gz NBVQVBWXPWJZFT-UHFFFAOYSA-N 0 0 400.566 2.738 40 0 HFABRN C=CCOc1c(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cccc1OC ZINC000033560374 569350573 /nfs/dbraw/zinc/35/05/73/569350573.db2.gz WBHJHFNTPFIITO-PTNGSMBKSA-N 0 0 412.398 2.733 40 0 HFABRN Cc1cc(S(=O)(=O)NCC(C)C)ccc1OCC(=O)NCCc1ccccc1 ZINC000033687894 569351027 /nfs/dbraw/zinc/35/10/27/569351027.db2.gz NSOSEYGHWMJLCS-UHFFFAOYSA-N 0 0 404.532 2.667 40 0 HFABRN Cc1ccccc1C(=O)N[C@@H](C)c1nnc(SCC(=O)Nc2nccs2)n1C ZINC000107658426 569352835 /nfs/dbraw/zinc/35/28/35/569352835.db2.gz FEJIRGXGTJHHCT-LBPRGKRZSA-N 0 0 416.532 2.802 40 0 HFABRN COc1cc(C)c(/C=C2\NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc1OC ZINC000107849388 569353062 /nfs/dbraw/zinc/35/30/62/569353062.db2.gz GRWHQAQAWPNWLM-YVLHZVERSA-N 0 0 409.442 2.852 40 0 HFABRN CCN1CCN(C(=O)CCc2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)CC1 ZINC000107943004 569353180 /nfs/dbraw/zinc/35/31/80/569353180.db2.gz UGBCEGISSVAKEF-UHFFFAOYSA-N 0 0 415.559 2.893 40 0 HFABRN Cc1cccc(N(CC(=O)Nc2ccccc2C(=O)N2CCCC2)S(C)(=O)=O)c1 ZINC000142398481 569355038 /nfs/dbraw/zinc/35/50/38/569355038.db2.gz DVJQVPXYWWQLAH-UHFFFAOYSA-N 0 0 415.515 2.636 40 0 HFABRN COC(=O)CN1C(=O)S/C(=C/c2ccccc2I)C1=O ZINC000205769081 569355606 /nfs/dbraw/zinc/35/56/06/569355606.db2.gz KBUVHIRHRYQQOP-UXBLZVDNSA-N 0 0 403.197 2.501 40 0 HFABRN O=C(CN1C(=O)S/C(=C/c2cccc(Cl)c2Cl)C1=O)N1CCOCC1 ZINC000210852743 569355896 /nfs/dbraw/zinc/35/58/96/569355896.db2.gz BJVFAXFUYIPHCR-XYOKQWHBSA-N 0 0 401.271 2.889 40 0 HFABRN Cc1cc(C(=O)N(CCc2ccccc2)[C@@H]2CC(=O)N(c3ccccc3)C2=O)n(C)n1 ZINC000110848551 569387319 /nfs/dbraw/zinc/38/73/19/569387319.db2.gz KYUQRSFSGQPPQD-OAQYLSRUSA-N 0 0 416.481 2.746 40 0 HFABRN CCOc1cc(/C=C/C(=O)NCCC(=O)OC)cc(Br)c1OCC ZINC000062715258 569388365 /nfs/dbraw/zinc/38/83/65/569388365.db2.gz CFIFFPPZQNOCMO-VOTSOKGWSA-N 0 0 400.269 2.939 40 0 HFABRN Cn1c2nc(Br)n(Cc3ccc(Cl)c(Cl)c3)c2c(=O)[nH]c1=O ZINC000062720534 569388589 /nfs/dbraw/zinc/38/85/89/569388589.db2.gz LVKWYXMDVJGOGM-UHFFFAOYSA-N 0 0 404.051 2.541 40 0 HFABRN COc1ccccc1NC(=O)[C@H]1CN(C(=O)COc2ccccc2)Cc2cn(C)nc21 ZINC000019696113 569428558 /nfs/dbraw/zinc/42/85/58/569428558.db2.gz QLFNADNOBSNXCR-SFHVURJKSA-N 0 0 420.469 2.572 40 0 HFABRN Cc1nc(Nc2nccnc2[C@@H]2CCCN(C(=O)/C=C/c3cnn(C)c3)C2)sc1C ZINC000585292170 571309950 /nfs/dbraw/zinc/30/99/50/571309950.db2.gz XUTFZICFXQEIQR-DKRLNXSXSA-N 0 0 423.546 3.446 40 0 HFABRN CC1(C)CN(C(=O)NCc2ccccc2)C[C@@H]2CN(C(=O)c3ccc(F)cc3)CCN21 ZINC000253402707 291217200 /nfs/dbraw/zinc/21/72/00/291217200.db2.gz OONDASOIKAAQLW-NRFANRHFSA-N 0 0 424.520 2.956 40 0 biogenic,in-vitro HFABRN CC(C)(C)c1ccnc(N[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3NC(=S)NC2CCCCC2)n1 ZINC000012604542 291216679 /nfs/dbraw/zinc/21/66/79/291216679.db2.gz DWFAHVFIBUWGEQ-CWLKWCNXSA-N 0 0 419.595 2.518 40 0 biogenic,in-vitro HFABRN CC(C)CN1C(=O)COC[C@@H]1[C@H](O)c1ccc(NC(=O)Cc2cccs2)cc1 ZINC000067896650 291216735 /nfs/dbraw/zinc/21/67/35/291216735.db2.gz YQKCTVMBJYDZHP-WIYYLYMNSA-N 0 0 402.516 2.846 40 0 biogenic,in-vitro HFABRN CCS(=O)(=O)c1ccc2oc([C@H]3CCN(S(=O)(=O)c4ccccc4)C3)nc2c1 ZINC000049168786 291219361 /nfs/dbraw/zinc/21/93/61/291219361.db2.gz LKKIYAMMIJMDKW-AWEZNQCLSA-N 0 0 420.512 2.800 40 0 biogenic,in-vitro HFABRN CN1C[C@@H](NC(=O)c2ccc(C(C)(C)C)cc2)C[C@H]1c1nc(-c2cncnc2)no1 ZINC000012530112 291220870 /nfs/dbraw/zinc/22/08/70/291220870.db2.gz AYUBTBNKWJUABD-ROUUACIJSA-N 0 0 406.490 2.999 40 0 biogenic,in-vitro HFABRN COCCOc1ccc(-c2noc([C@@H]3CCCN3Cc3ccc(CO)o3)n2)cn1 ZINC000035425414 291222081 /nfs/dbraw/zinc/22/20/81/291222081.db2.gz ZEMRTDKFKBAUOQ-KRWDZBQOSA-N 0 0 400.435 2.579 40 0 biogenic,in-vitro HFABRN COc1ccc(C(=O)N2CCN3C(=O)N(Cc4ccc(C)cc4)C[C@H]3C2)cc1OC ZINC000096269096 291224712 /nfs/dbraw/zinc/22/47/12/291224712.db2.gz XVSQSNDLGVIEAP-LJQANCHMSA-N 0 0 409.486 2.774 40 0 biogenic,in-vitro HFABRN COc1ccc(CN2C[C@H]3CN(Cc4ccc(NC(C)=O)cc4)CCN3C2=O)cc1 ZINC000096269131 291225181 /nfs/dbraw/zinc/22/51/81/291225181.db2.gz RDOCSEUQRJBVIP-OAQYLSRUSA-N 0 0 408.502 2.776 40 0 biogenic,in-vitro HFABRN C[C@@]1(CO)C[N@H+](Cc2ccccc2)C[C@@H]2CN(C(=O)Nc3ccc(F)cc3)CCN21 ZINC000253403136 291226495 /nfs/dbraw/zinc/22/64/95/291226495.db2.gz PJDSVYAADDKKCK-GGAORHGYSA-N 0 0 412.509 2.611 40 0 biogenic,in-vitro HFABRN Cc1cc(C)cc(NC2=N[C@@H]3[C@H](S2)[C@@H](C(=O)Nc2ccccc2)C[C@@H](O)[C@@H]3O)c1 ZINC000008636461 291226751 /nfs/dbraw/zinc/22/67/51/291226751.db2.gz UVAJCWHKNJZUIK-LJDSDSDDSA-N 0 0 411.527 2.936 40 0 biogenic,in-vitro HFABRN Cc1ccc2c(c1)nc1n2[C@@H](CN(Cc2cnn(C)c2)Cc2cnn(C)c2)COC1 ZINC000096112406 291227169 /nfs/dbraw/zinc/22/71/69/291227169.db2.gz KAWQUYJSIRGGSG-IBGZPJMESA-N 0 0 405.506 2.585 40 0 biogenic,in-vitro HFABRN Cc1noc(C)c1S(=O)(=O)N1CCOC[C@H](Oc2ccc(C(F)(F)F)cc2)C1 ZINC000077265654 291227447 /nfs/dbraw/zinc/22/74/47/291227447.db2.gz MEQDLEBHAJXAGR-OAHLLOKOSA-N 0 0 420.409 2.779 40 0 biogenic,in-vitro HFABRN O=C(N[C@H]1CO[C@H]2[C@@H]1OC[C@@H]2Nc1nccc(C2CCCC2)n1)NC1CCCCC1 ZINC000012604556 291227851 /nfs/dbraw/zinc/22/78/51/291227851.db2.gz RIHLZOUAVROFHZ-VNTMZGSJSA-N 0 0 415.538 2.713 40 0 biogenic,in-vitro HFABRN O=c1ccc(-c2cccnc2)c2n1C[C@H]1C[C@@H]2CN(S(=O)(=O)c2ccccc2)C1 ZINC000003841867 291230120 /nfs/dbraw/zinc/23/01/20/291230120.db2.gz BNCGCIDMRDSRCO-FUHWJXTLSA-N 0 0 407.495 2.718 40 0 biogenic,in-vitro HFABRN CC(C)C(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccco3)cc2)CC1 ZINC000001268958 132243524 /nfs/dbraw/zinc/24/35/24/132243524.db2.gz XKNKTTUDMKRSPG-UHFFFAOYSA-N 0 0 400.504 2.711 40 0 HFABRN COc1ccc(Nc2nc(N3CCN(C=O)CC3)nc3c2C(=O)CC(C)(C)C3)cc1 ZINC000009937709 132344172 /nfs/dbraw/zinc/34/41/72/132344172.db2.gz DVILOXDLIMAHPE-UHFFFAOYSA-N 0 0 409.490 2.662 40 0 HFABRN Cc1nc2cc(-c3nccn3C)nn2c(N2CCC(O)(c3cccnc3)CC2)c1C ZINC000012087630 132353628 /nfs/dbraw/zinc/35/36/28/132353628.db2.gz AOPSBBYRBIYCIU-UHFFFAOYSA-N 0 0 403.490 2.630 40 0 HFABRN Cc1ccc(C(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)cc1N1CCOCC1 ZINC000019716626 132469358 /nfs/dbraw/zinc/46/93/58/132469358.db2.gz HPGNZMSSCSDOEN-UHFFFAOYSA-N 0 0 417.531 2.643 40 0 HFABRN O=C(/C=C/c1ccccc1)N1CCN(c2ncnc3cc4c(cc32)OCCO4)CC1 ZINC000028556253 132493070 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CCc1nnc(-n2ccc3nc(C)c(C(=O)OC)c(-c4ccc(OC)cc4)c3c2=O)[nH]1 ZINC000019819305 558289551 /nfs/dbraw/zinc/28/95/51/558289551.db2.gz HFELXWANFPEEAX-UHFFFAOYSA-N 0 0 419.441 2.837 40 0 HFABRN CC(C)c1ccc(CCNC(=O)[C@@H]2CN(S(C)(=O)=O)c3ccccc3O2)cc1 ZINC000019932424 558310689 /nfs/dbraw/zinc/31/06/89/558310689.db2.gz KJRQZEPNNIMPBL-FQEVSTJZSA-N 0 0 402.516 2.696 40 0 HFABRN O=C(Cc1cnc(-c2ccc(Cl)cc2)[nH]c1=O)N1CCN(c2ccccc2)CC1 ZINC000019937675 558312471 /nfs/dbraw/zinc/31/24/71/558312471.db2.gz QOOCPDWTZCLUBD-UHFFFAOYSA-N 0 0 408.889 2.982 40 0 HFABRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000020005073 558318123 /nfs/dbraw/zinc/31/81/23/558318123.db2.gz CRJMSUIUGZDTKZ-YJBOKZPZSA-N 0 0 420.531 2.508 40 0 HFABRN COc1ccccc1[C@@H](C)NC(=O)CN(Cc1ccc(Cl)cc1)S(C)(=O)=O ZINC000020014235 558319557 /nfs/dbraw/zinc/31/95/57/558319557.db2.gz BWHILJCRUNCBCE-CQSZACIVSA-N 0 0 410.923 2.988 40 0 HFABRN COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cc(F)ccc2F)cc1Cl ZINC000020013991 558319574 /nfs/dbraw/zinc/31/95/74/558319574.db2.gz WDPWFMDIFPFGFE-UHFFFAOYSA-N 0 0 404.822 2.886 40 0 HFABRN COc1ccc([C@H](C)NC(=O)COc2ccc(S(=O)(=O)N(C)C)cc2C)cc1 ZINC000020022631 558321595 /nfs/dbraw/zinc/32/15/95/558321595.db2.gz XJJYQFAUJSNPHO-HNNXBMFYSA-N 0 0 406.504 2.510 40 0 HFABRN COc1ccccc1[C@H](C)NC(=O)COc1ccc(S(=O)(=O)N(C)C)cc1C ZINC000020022643 558321641 /nfs/dbraw/zinc/32/16/41/558321641.db2.gz LTNZTSABJNSOFZ-HNNXBMFYSA-N 0 0 406.504 2.510 40 0 HFABRN Cn1cc(Cl)c(C(=O)N[C@H]2C[C@]3(CCC(=O)N(C)CC3)Oc3ccccc32)n1 ZINC000012086474 558321817 /nfs/dbraw/zinc/32/18/17/558321817.db2.gz NAMQACIOFCNGKH-MGPUTAFESA-N 0 0 402.882 2.708 40 0 HFABRN O=C(COc1ccccc1Cl)NCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000020032862 558324439 /nfs/dbraw/zinc/32/44/39/558324439.db2.gz BMYZLZSFDUPZLU-UHFFFAOYSA-N 0 0 408.907 2.820 40 0 HFABRN O=C(N1CCC(Nc2nc(C(F)(F)F)cc(=O)[nH]2)CC1)C1(c2ccccc2)CC1 ZINC000012114045 558327309 /nfs/dbraw/zinc/32/73/09/558327309.db2.gz SYQRXAOBVGYYED-UHFFFAOYSA-N 0 0 406.408 2.923 40 0 HFABRN Cc1ccc(N(CC(=O)NCc2ccccc2-n2ccnc2)S(C)(=O)=O)c(C)c1 ZINC000020048321 558327957 /nfs/dbraw/zinc/32/79/57/558327957.db2.gz MFLWSSJNZLWALW-UHFFFAOYSA-N 0 0 412.515 2.572 40 0 HFABRN O=C(CN1N=C(c2ccccc2)Cn2c3ccsc3cc2C1=O)NC[C@H]1CCCO1 ZINC000012145896 558337328 /nfs/dbraw/zinc/33/73/28/558337328.db2.gz XSCRSKNJCCSOQP-MRXNPFEDSA-N 0 0 422.510 2.858 40 0 HFABRN COCCN(C(=O)Cc1ccc(OC)cc1)c1nc2c(s1)CCc1c-2cnn1C ZINC000012146085 558337492 /nfs/dbraw/zinc/33/74/92/558337492.db2.gz SVFMNLHKYFLHIR-UHFFFAOYSA-N 0 0 412.515 2.873 40 0 HFABRN Cc1noc(C)c1CCC(=O)NCCn1nc2c(C)cc3ccc(C)cc3n2c1=O ZINC000012146426 558337861 /nfs/dbraw/zinc/33/78/61/558337861.db2.gz LOQWSEPSVXABOS-UHFFFAOYSA-N 0 0 407.474 2.620 40 0 HFABRN Cc1cc(-c2cc(N)c(=O)n(CC(=O)Nc3ccccc3OC(F)F)n2)c(C)o1 ZINC000012181152 558342674 /nfs/dbraw/zinc/34/26/74/558342674.db2.gz QHLWZKGJNXQDDT-UHFFFAOYSA-N 0 0 404.373 2.942 40 0 HFABRN Cc1nn(CC(=O)N[C@H](Cn2nc(-c3cccs3)ccc2=O)C(C)C)c(C)c1C ZINC000012182969 558343927 /nfs/dbraw/zinc/34/39/27/558343927.db2.gz IXEGWUVQCOSXMU-GOSISDBHSA-N 0 0 413.547 2.935 40 0 HFABRN CC[C@@H](Cn1nc(-c2cccs2)ccc1=O)NC(=O)CCn1nnc2ccccc21 ZINC000012185185 558344450 /nfs/dbraw/zinc/34/44/50/558344450.db2.gz TUKXOOHHMVAMMC-HNNXBMFYSA-N 0 0 422.514 2.702 40 0 HFABRN COc1ccc2c(c1)O[C@]1(C[C@H]3CC[C@@H]1C[C@@H]3C(=O)N1CCSCC1)NC2=O ZINC000012185246 558344723 /nfs/dbraw/zinc/34/47/23/558344723.db2.gz SETWOBGOGMDVIV-BYNIBCHQSA-N 0 0 402.516 2.525 40 0 HFABRN Cc1ccc(C)c(N(CC(=O)N2CCCc3ccccc32)S(=O)(=O)N(C)C)c1 ZINC000020244980 558351135 /nfs/dbraw/zinc/35/11/35/558351135.db2.gz MJWLIMUDHBOHEY-UHFFFAOYSA-N 0 0 401.532 2.896 40 0 HFABRN CC(C)c1ccccc1OCC(=O)N1CCc2c(nc(-c3cnccn3)[nH]c2=O)C1 ZINC000012220492 558355413 /nfs/dbraw/zinc/35/54/13/558355413.db2.gz MRWPYYSVPFEFKH-UHFFFAOYSA-N 0 0 405.458 2.726 40 0 HFABRN CC(C)c1cc(C(F)(F)F)n2nc([C@H]3CCCN(S(=O)(=O)N(C)C)C3)cc2n1 ZINC000012220383 558355495 /nfs/dbraw/zinc/35/54/95/558355495.db2.gz YOSWKJWDGFBMBV-LBPRGKRZSA-N 0 0 419.473 2.857 40 0 HFABRN Cc1nc([C@H](Cc2ccsc2)NC(=O)CN2C(=O)NC(C)(C)C2=O)sc1C ZINC000012228233 558357276 /nfs/dbraw/zinc/35/72/76/558357276.db2.gz GUVMJOYBSVVQGA-ZDUSSCGKSA-N 0 0 406.533 2.552 40 0 HFABRN Cc1cccnc1[C@H](Cc1ccsc1)NC(=O)[C@@H](C)N1C(=O)NC(C)(C)C1=O ZINC000012229591 558357563 /nfs/dbraw/zinc/35/75/63/558357563.db2.gz NHXJZKKMKRDWHY-HIFRSBDPSA-N 0 0 400.504 2.570 40 0 HFABRN O=c1[nH]c2ccc(S(=O)(=O)NC[C@@H](c3ccccc3Cl)N3CCCC3)cc2[nH]1 ZINC000012239222 558359801 /nfs/dbraw/zinc/35/98/01/558359801.db2.gz WOYAVHBOQHJUPM-SFHVURJKSA-N 0 0 420.922 2.625 40 0 HFABRN COCCCNC(=O)c1ccc2c(c1)C[C@H](C)N2S(=O)(=O)c1ccc(F)cc1 ZINC000020449361 558364649 /nfs/dbraw/zinc/36/46/49/558364649.db2.gz FYIYPSWJFLNBKH-AWEZNQCLSA-N 0 0 406.479 2.732 40 0 HFABRN Cn1ccc([C@H]2c3cc4c(cc3CCN2S(=O)(=O)c2ccccc2F)OCO4)n1 ZINC000012290847 558365674 /nfs/dbraw/zinc/36/56/74/558365674.db2.gz NGXPSMFVDXKUQU-HXUWFJFHSA-N 0 0 415.446 2.624 40 0 HFABRN CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000020454529 558368305 /nfs/dbraw/zinc/36/83/05/558368305.db2.gz NDBKBBXZUNCSDD-LJQANCHMSA-N 0 0 422.478 2.643 40 0 HFABRN CC(C)CNC(=O)C1CCN(S(=O)(=O)Cc2ccc(Br)cc2)CC1 ZINC000020460967 558373085 /nfs/dbraw/zinc/37/30/85/558373085.db2.gz NULICJCDWIVTEC-UHFFFAOYSA-N 0 0 417.369 2.763 40 0 HFABRN COc1ccc([C@@H](C)NC(=O)CN(c2cccc(C)c2)S(C)(=O)=O)cc1OC ZINC000020486241 558376629 /nfs/dbraw/zinc/37/66/29/558376629.db2.gz FBPIIFGAPGNXJG-OAHLLOKOSA-N 0 0 406.504 2.656 40 0 HFABRN Cc1cccc(CCCNC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)c1 ZINC000020494593 558379725 /nfs/dbraw/zinc/37/97/25/558379725.db2.gz YPIBLUVRQHALRV-LJQANCHMSA-N 0 0 422.934 2.924 40 0 HFABRN C[C@@H](Oc1ccc(F)cc1F)C(=O)N1CCC[C@H](c2nn(C)c3nccnc23)C1 ZINC000012365173 558387669 /nfs/dbraw/zinc/38/76/69/558387669.db2.gz YPYZLRADMFIHPO-OLZOCXBDSA-N 0 0 401.417 2.815 40 0 HFABRN O=C(c1ccc2c(c1)OCO2)N1CCC[C@@H](c2cc(C(F)F)n3ncnc3n2)C1 ZINC000012406835 558398290 /nfs/dbraw/zinc/39/82/90/558398290.db2.gz OQHXMOFOHIBHOC-GFCCVEGCSA-N 0 0 401.373 2.810 40 0 HFABRN CCOC(=O)[C@@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@@H]1c1cccc(O)c1 ZINC000020802226 558415846 /nfs/dbraw/zinc/41/58/46/558415846.db2.gz ASXYRXRUCGQDIV-RBUKOAKNSA-N 0 0 409.442 2.504 40 0 HFABRN COc1ccc(CN(C)C(=O)c2ccc(OC)c(S(=O)(=O)NC(C)C)c2)cc1 ZINC000021359866 558437216 /nfs/dbraw/zinc/43/72/16/558437216.db2.gz NWRHVUQLRPMSFF-UHFFFAOYSA-N 0 0 406.504 2.663 40 0 HFABRN COc1ccc(S(=O)(=O)Nc2ccc(N3CCCC3=O)c(C)c2)cc1NC(C)=O ZINC000012652498 558443966 /nfs/dbraw/zinc/44/39/66/558443966.db2.gz JQSVIJMHLKILBD-UHFFFAOYSA-N 0 0 417.487 2.890 40 0 HFABRN COc1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc(OC)ccc2C)cc1 ZINC000022229905 558468823 /nfs/dbraw/zinc/46/88/23/558468823.db2.gz RWCPINNBVMYQPX-SFHVURJKSA-N 0 0 404.488 2.804 40 0 HFABRN CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CCCC2)cc1C ZINC000022247352 558472494 /nfs/dbraw/zinc/47/24/94/558472494.db2.gz QDCPPURRGCZLLE-HXUWFJFHSA-N 0 0 416.543 2.906 40 0 HFABRN CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCCC2)cc1C ZINC000022247349 558472559 /nfs/dbraw/zinc/47/25/59/558472559.db2.gz QDCPPURRGCZLLE-FQEVSTJZSA-N 0 0 416.543 2.906 40 0 HFABRN COc1cc(C(=O)N2CCCC2)c(N(Cc2ccccc2)S(C)(=O)=O)cc1OC ZINC000022253598 558474037 /nfs/dbraw/zinc/47/40/37/558474037.db2.gz LTIZJACVTLUNPL-UHFFFAOYSA-N 0 0 418.515 2.906 40 0 HFABRN CNC(=O)c1cc(OC)c(OC)cc1N(Cc1ccc(Cl)cc1)S(C)(=O)=O ZINC000022253829 558474098 /nfs/dbraw/zinc/47/40/98/558474098.db2.gz MCWPTEJGDHXWIM-UHFFFAOYSA-N 0 0 412.895 2.683 40 0 HFABRN CCOc1ccc(N(CC(=O)NCCCc2ccccc2OC)S(C)(=O)=O)cc1 ZINC000022333174 558480658 /nfs/dbraw/zinc/48/06/58/558480658.db2.gz ZJMACGREHZSHKY-UHFFFAOYSA-N 0 0 420.531 2.609 40 0 HFABRN COc1ccc(OC)c(N(CC(=O)N[C@H](C)c2cc(C)ccc2C)S(C)(=O)=O)c1 ZINC000022333807 558480915 /nfs/dbraw/zinc/48/09/15/558480915.db2.gz CFNWNYRYHSFIGN-MRXNPFEDSA-N 0 0 420.531 2.964 40 0 HFABRN COc1ccccc1CCCNC(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O ZINC000022336206 558481336 /nfs/dbraw/zinc/48/13/36/558481336.db2.gz KCGSFMJZDLBOFB-UHFFFAOYSA-N 0 0 420.531 2.527 40 0 HFABRN COc1ccc(C)cc1N(CC(=O)NCCCc1ccc(F)cc1)S(C)(=O)=O ZINC000022336203 558481361 /nfs/dbraw/zinc/48/13/61/558481361.db2.gz RFGTXYGVRPWKJH-UHFFFAOYSA-N 0 0 408.495 2.658 40 0 HFABRN CCc1ccc(N(CC(=O)NCCCc2ccc(OC)cc2)S(C)(=O)=O)cc1 ZINC000022361647 558483015 /nfs/dbraw/zinc/48/30/15/558483015.db2.gz FFRCOUWEAJSOGI-UHFFFAOYSA-N 0 0 404.532 2.773 40 0 HFABRN CS(=O)(=O)N(CC(=O)NCCCc1ccccc1Cl)c1ccc2c(c1)OCO2 ZINC000022368019 558483687 /nfs/dbraw/zinc/48/36/87/558483687.db2.gz XFXWHIKOJKMCBU-UHFFFAOYSA-N 0 0 424.906 2.584 40 0 HFABRN CCCOc1ccc(N(CC(=O)NCCc2ccc(OC)cc2)S(C)(=O)=O)cc1 ZINC000022385967 558485260 /nfs/dbraw/zinc/48/52/60/558485260.db2.gz HWKMXCPCXDVECZ-UHFFFAOYSA-N 0 0 420.531 2.609 40 0 HFABRN CC(C)Oc1ccc(N(CC(=O)NCCSC(C)(C)C)S(C)(=O)=O)cc1 ZINC000022389023 558485789 /nfs/dbraw/zinc/48/57/89/558485789.db2.gz ANZYXQVPFNQLMY-UHFFFAOYSA-N 0 0 402.582 2.888 40 0 HFABRN CS(=O)(=O)Nc1ccc(C(=O)NCc2ccccc2-n2ccnc2)c(Cl)c1 ZINC000022511501 558492858 /nfs/dbraw/zinc/49/28/58/558492858.db2.gz ALNIXXJUDJHBIV-UHFFFAOYSA-N 0 0 404.879 2.827 40 0 HFABRN CS(=O)(=O)N1C[C@H](C(=O)NCc2ccc(Cl)cc2Cl)Oc2ccccc21 ZINC000022528915 558496557 /nfs/dbraw/zinc/49/65/57/558496557.db2.gz TWAQTTFCYUCLRN-MRXNPFEDSA-N 0 0 415.298 2.837 40 0 HFABRN Cc1cc(-c2snnc2[C@@H]2CCCN(C(=O)C[C@H]3CC(C)(C)OC3=O)C2)on1 ZINC000013225974 558526537 /nfs/dbraw/zinc/52/65/37/558526537.db2.gz GXYVKROYPQYXHL-OLZOCXBDSA-N 0 0 404.492 2.939 40 0 HFABRN Cc1cc(-c2snnc2[C@@H]2CCCN(C(=O)CNC(=O)c3ccc(C)o3)C2)on1 ZINC000013227340 558526951 /nfs/dbraw/zinc/52/69/51/558526951.db2.gz ODTRTDAQZDYFOO-CYBMUJFWSA-N 0 0 415.475 2.539 40 0 HFABRN COc1ccc([C@@H]2[C@@H](C(=O)OC(C)C)[C@](C)(O)CC(=O)[C@H]2C(=O)OC(C)C)cc1 ZINC000013372563 558530958 /nfs/dbraw/zinc/53/09/58/558530958.db2.gz IMKXAEVDHUDFDQ-LMVRJCEZSA-N 0 0 406.475 2.638 40 0 HFABRN COc1ccc(F)cc1S(=O)(=O)N(C)CC(=O)N[C@@H](C)CCc1ccccc1 ZINC000013581082 558544654 /nfs/dbraw/zinc/54/46/54/558544654.db2.gz JQAGOSNPDDNRIV-HNNXBMFYSA-N 0 0 408.495 2.592 40 0 HFABRN Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)Oc3cccc(C)c3)CC2)cc1 ZINC000013646074 558556680 /nfs/dbraw/zinc/55/66/80/558556680.db2.gz XQRGKCSTQWGMIO-SFHVURJKSA-N 0 0 402.516 2.604 40 0 HFABRN CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc3c(c2)OCCO3)ccc1OC ZINC000023652074 558564959 /nfs/dbraw/zinc/56/49/59/558564959.db2.gz WSCTXGGLRWCHFQ-UHFFFAOYSA-N 0 0 420.487 2.749 40 0 HFABRN CCN1CCN(C(=O)c2ccc(N(Cc3ccccc3F)S(C)(=O)=O)cc2)CC1 ZINC000013682428 558567549 /nfs/dbraw/zinc/56/75/49/558567549.db2.gz YOODKOLWKUBIHY-UHFFFAOYSA-N 0 0 419.522 2.570 40 0 HFABRN CC[C@H](C(=O)Nc1ccccc1C(N)=O)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000013686661 558569952 /nfs/dbraw/zinc/56/99/52/558569952.db2.gz JSEGPNDEDPQGJB-GOSISDBHSA-N 0 0 403.504 2.586 40 0 HFABRN CC[C@H](C(=O)Nc1cccc(C(=O)OC)c1C)N(c1ccccc1)S(C)(=O)=O ZINC000013711501 558576033 /nfs/dbraw/zinc/57/60/33/558576033.db2.gz DWFPOKYJSBSILY-GOSISDBHSA-N 0 0 404.488 2.965 40 0 HFABRN CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000014022608 558614355 /nfs/dbraw/zinc/61/43/55/558614355.db2.gz RLPJFGRXTSHRFR-HXUWFJFHSA-N 0 0 418.515 2.812 40 0 HFABRN Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)Oc3cccc(Cl)c3)CC2)cc1 ZINC000014670638 558663157 /nfs/dbraw/zinc/66/31/57/558663157.db2.gz KTICBPQLPGTNCX-INIZCTEOSA-N 0 0 422.934 2.949 40 0 HFABRN O=C(C[C@H]1CSC2=N[C@H]3CCCC[C@@H]3C(=O)N21)NCc1cc(-c2ccco2)on1 ZINC000038754451 558664713 /nfs/dbraw/zinc/66/47/13/558664713.db2.gz CVTDEPZBYSSBEE-KKUMJFAQSA-N 0 0 414.487 2.813 40 0 HFABRN COC(=O)[C@H]1C[C@H]2CCCC[C@@H]2N1C(=O)CCN1C(=O)CSc2ccccc21 ZINC000040040538 558693091 /nfs/dbraw/zinc/69/30/91/558693091.db2.gz UTOGFUVJRGNAOO-HLLBOEOZSA-N 0 0 402.516 2.848 40 0 HFABRN O=C(NCCCN1CCc2ccccc21)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000029520597 558716639 /nfs/dbraw/zinc/71/66/39/558716639.db2.gz KHEVQEYINZRICI-UHFFFAOYSA-N 0 0 413.543 2.654 40 0 HFABRN O=C(NCCCOC1CCCCC1)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000015177293 558726937 /nfs/dbraw/zinc/72/69/37/558726937.db2.gz 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2.549 40 0 HFABRN CCc1cccc2c(/C=C3\NC(=S)N(C)C3=O)cn(CC(=O)NCc3ccco3)c21 ZINC000039556413 569351819 /nfs/dbraw/zinc/35/18/19/569351819.db2.gz PCDCZAWPVQJHLD-ZDLGFXPLSA-N 0 0 422.510 2.801 40 0 HFABRN COc1cccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)c1 ZINC000051980741 569352257 /nfs/dbraw/zinc/35/22/57/569352257.db2.gz PBADWXRMIVMDSQ-ZDUSSCGKSA-N 0 0 402.834 2.883 40 0 HFABRN COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N(C)c3ccc(F)cc3)C2)cc1 ZINC000055750518 569352345 /nfs/dbraw/zinc/35/23/45/569352345.db2.gz HGPXOXWJKDAHMW-HNNXBMFYSA-N 0 0 406.479 2.898 40 0 HFABRN Cc1ccccc1C(=O)N[C@H](C)c1nnc(SCC(=O)Nc2nccs2)n1C ZINC000107658430 569352809 /nfs/dbraw/zinc/35/28/09/569352809.db2.gz FEJIRGXGTJHHCT-GFCCVEGCSA-N 0 0 416.532 2.802 40 0 HFABRN CC[C@@H]1CCCCN1c1nc2c(c(=O)[nH]1)[C@H](C(=O)Nc1ccccc1C)CC(=O)N2 ZINC000139114140 569354493 /nfs/dbraw/zinc/35/44/93/569354493.db2.gz MARWDCIELBFVHS-HUUCEWRRSA-N 0 0 409.490 2.912 40 0 HFABRN O=S(=O)(c1ccc2ccccc2c1)N(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 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0 0 407.474 2.787 40 0 HFABRN O=C(/C=C/c1cccnc1)N1CCC[C@@H](Cc2ccc(Nc3ccccn3)nn2)C1 ZINC000585291755 571305756 /nfs/dbraw/zinc/30/57/56/571305756.db2.gz CDRDZCFWZDQHFI-BLRBJFNZSA-N 0 0 400.486 3.505 40 0 HFABRN CC(C)c1cc(N2CCc3ccc(S(N)(=O)=O)cc3C2)nc(Nc2ccccc2)n1 ZINC000328970384 571306399 /nfs/dbraw/zinc/30/63/99/571306399.db2.gz DKNKNDDGCZAIRV-UHFFFAOYSA-N 0 0 423.542 3.554 40 0 HFABRN Cc1cc(I)cc(C)c1NC(=O)CSc1nnc(N)s1 ZINC000409199518 571310824 /nfs/dbraw/zinc/31/08/24/571310824.db2.gz DVZWGOCUVDWXLV-UHFFFAOYSA-N 0 0 420.301 3.073 40 0 HFABRN CN1CC(=O)N2[C@H](Cc3cc4c(cc3[C@@H]2c2c[nH]c3ccc(Cl)cc32)OCO4)C1=O ZINC000213262233 571315296 /nfs/dbraw/zinc/31/52/96/571315296.db2.gz FSEZESVJDPKRDS-DYESRHJHSA-N 0 0 423.856 2.865 40 0 HFABRN CC1(C)CN(C(=O)c2ccccc2F)C[C@@H]2CN(C(=O)Cc3ccccc3)CCN21 ZINC000253398151 291217669 /nfs/dbraw/zinc/21/76/69/291217669.db2.gz GPHDXWDZYJNWNQ-IBGZPJMESA-N 0 0 409.505 2.816 40 0 biogenic,in-vitro HFABRN COc1cc(Br)c2c3c1O[C@H]1C4(CC[C@@H]5[C@@H](C2)[N@@H+](C)CC[C@]315)OCCO4 ZINC000096316249 291222940 /nfs/dbraw/zinc/22/29/40/291222940.db2.gz ZABOYUCAGYOXEK-VOQHCJDSSA-N 0 0 422.319 2.870 40 0 biogenic,in-vitro HFABRN COc1ccc(C(=O)N[C@H]2C[C@@H](c3nc(-c4ccc(OC)cc4)no3)N(C)C2)cc1 ZINC000012529907 291224840 /nfs/dbraw/zinc/22/48/40/291224840.db2.gz WACBZJKNYQFNMO-LPHOPBHVSA-N 0 0 408.458 2.929 40 0 biogenic,in-vitro HFABRN COc1ccc(NC(=O)O[C@@H]2CO[C@@H]3[C@@H](NC(=O)c4ccc(C)cc4)CO[C@H]23)cc1 ZINC000004235595 291225244 /nfs/dbraw/zinc/22/52/44/291225244.db2.gz VSKBSDMHJXVBBU-MTQWCTHYSA-N 0 0 412.442 2.517 40 0 biogenic,in-vitro HFABRN O=C(NCc1ccccc1)[C@H]1C[N@@H+]2CC[C@@H]1C[C@@H]2Cn1cc(-c2ccccc2)nn1 ZINC000008298228 291228302 /nfs/dbraw/zinc/22/83/02/291228302.db2.gz KDGQUQJDFJBFNN-VSKRKVRLSA-N 0 0 401.514 2.972 40 0 biogenic,in-vitro HFABRN O=C(Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2Cc2ccccn2)cc1)C1CCCC1 ZINC000067896748 291228709 /nfs/dbraw/zinc/22/87/09/291228709.db2.gz RQYDYVNTBIGKHH-IFMALSPDSA-N 0 0 409.486 2.671 40 0 biogenic,in-vitro HFABRN O=C(Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2CC2CCCCC2)cc1)c1cnccn1 ZINC000067896476 291228724 /nfs/dbraw/zinc/22/87/24/291228724.db2.gz YGOWEDIDOYQHHX-IFMALSPDSA-N 0 0 424.501 2.570 40 0 biogenic,in-vitro HFABRN O=C(NC1CCCCC1)O[C@@H]1CO[C@@H]2[C@@H](NC(=S)Nc3ccccc3)CO[C@H]12 ZINC000008579227 291227860 /nfs/dbraw/zinc/22/78/60/291227860.db2.gz BLCWCPGOPZRHIW-BSDSXHPESA-N 0 0 405.520 2.567 40 0 biogenic,in-vitro HFABRN Cc1cccc(NC(=O)N2CCN(c3c4c(nc5ncnn53)C[C@@H](C)CC4)CC2)c1 ZINC000001351110 132244463 /nfs/dbraw/zinc/24/44/63/132244463.db2.gz PWVIJJTUVNICDL-INIZCTEOSA-N 0 0 405.506 2.912 40 0 HFABRN CCS(=O)(=O)N1CCN(c2ncnc3c(-c4ccc(Cl)cc4)nsc32)CC1 ZINC000001370840 132244997 /nfs/dbraw/zinc/24/49/97/132244997.db2.gz YGFMHDIJRIYJRM-UHFFFAOYSA-N 0 0 423.951 2.878 40 0 HFABRN Cn1ccnc1C1(O)C[C@H]2CC[C@@H](C1)N2CC(=O)Nc1ccccc1N1CCCCC1 ZINC000012114569 132354110 /nfs/dbraw/zinc/35/41/10/132354110.db2.gz OTGOIAVDJRGTME-QRQCMCJISA-N 0 0 423.561 2.864 40 0 HFABRN Fc1ccccc1N1CCN([C@H](c2nnnn2C[C@@H]2CCCO2)c2ccccc2)CC1 ZINC000019369635 132467152 /nfs/dbraw/zinc/46/71/52/132467152.db2.gz AWNPSNDTZVJHTQ-UGKGYDQZSA-N 0 0 422.508 2.903 40 0 HFABRN Cn1cc(-c2csc(NC(=O)CN3C(=O)COc4c(Cl)cccc43)n2)cn1 ZINC000019661104 132468558 /nfs/dbraw/zinc/46/85/58/132468558.db2.gz KTCRIPAMVSXCAD-UHFFFAOYSA-N 0 0 403.851 2.561 40 0 HFABRN Cc1nc([C@@H]2CCCCN2C(=O)c2ccc3c(c2)OCCO3)nc2c1CCC(=O)N2C ZINC000019740491 132469648 /nfs/dbraw/zinc/46/96/48/132469648.db2.gz URNKUKZOVALMQC-KRWDZBQOSA-N 0 0 422.485 2.833 40 0 HFABRN Cc1nc([C@H]2CCCCN2C(=O)c2ccc3c(c2)OCCO3)nc2c1CCC(=O)N2C ZINC000019740493 132469672 /nfs/dbraw/zinc/46/96/72/132469672.db2.gz URNKUKZOVALMQC-QGZVFWFLSA-N 0 0 422.485 2.833 40 0 HFABRN CCCSc1nnc(NC(=O)[C@H](C)N(c2cccc(F)c2)S(C)(=O)=O)s1 ZINC000225801023 520573039 /nfs/dbraw/zinc/57/30/39/520573039.db2.gz GOEXOOJQBTVJMX-JTQLQIEISA-N 0 0 418.541 2.973 40 0 HFABRN CC1(C)O[C@@H]2[C@@H](O1)[C@@H](C(=O)N1CCCC[C@@H]1c1cccnc1)O[C@H]1OC(C)(C)O[C@@H]21 ZINC000245231737 520612872 /nfs/dbraw/zinc/61/28/72/520612872.db2.gz JSEMXVOQOIOVDZ-HEYXFABWSA-N 0 0 418.490 2.532 40 0 HFABRN CCOC(=O)[C@@H]1CC(=O)N(c2ccc(N3CCN(C(=O)c4ccccc4)CC3)cc2)C1 ZINC000045957382 521094424 /nfs/dbraw/zinc/09/44/24/521094424.db2.gz XCFVKWJIUKRYKM-LJQANCHMSA-N 0 0 421.497 2.565 40 0 HFABRN CCOC(=O)[C@]1(C)N[C@H](c2cccs2)[C@H]2C(=O)N(c3ccc(OC)cc3)C(=O)[C@H]21 ZINC000245230553 521353857 /nfs/dbraw/zinc/35/38/57/521353857.db2.gz UKYLHSHAERUDPP-ZGPJWRFFSA-N 0 0 414.483 2.529 40 0 HFABRN CCOc1cccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)c1 ZINC000020044366 521355962 /nfs/dbraw/zinc/35/59/62/521355962.db2.gz WVFSZNBAPQRBPB-MRXNPFEDSA-N 0 0 408.545 2.864 40 0 HFABRN CCCn1c2ccc(S(=O)(=O)NCCN(C)c3ccccc3)cc2sc1=O ZINC000225732320 521636673 /nfs/dbraw/zinc/63/66/73/521636673.db2.gz OVFASNALUKXROF-UHFFFAOYSA-N 0 0 405.545 2.888 40 0 HFABRN CCSc1n[nH]c(-n2ccc3nc4ncnn4c(-c4cccc(Cl)c4)c3c2=O)n1 ZINC000040398035 521784291 /nfs/dbraw/zinc/78/42/91/521784291.db2.gz HFWOFHKUHLSBRW-UHFFFAOYSA-N 0 0 424.877 2.979 40 0 HFABRN COC(=O)c1ccc(CS(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000044904606 522048064 /nfs/dbraw/zinc/04/80/64/522048064.db2.gz CCLHXZXPRLRTCW-UHFFFAOYSA-N 0 0 408.907 2.779 40 0 HFABRN COC(=O)c1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)c1C ZINC000044625868 522222801 /nfs/dbraw/zinc/22/28/01/522222801.db2.gz IFADCJWGFCTCRL-UHFFFAOYSA-N 0 0 416.499 2.821 40 0 HFABRN CC[C@@H](NC(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O)c1ccc(C)cc1 ZINC000044949725 522685575 /nfs/dbraw/zinc/68/55/75/522685575.db2.gz IKWCJTWZZQTIPU-QGZVFWFLSA-N 0 0 404.488 2.757 40 0 HFABRN CC[C@@H](NC(=O)c1ccc(N(C)S(=O)(=O)N(C)C)cc1)c1ccc(OC)cc1 ZINC000044901547 522786266 /nfs/dbraw/zinc/78/62/66/522786266.db2.gz BMFMWQUWDKQIFK-LJQANCHMSA-N 0 0 405.520 2.819 40 0 HFABRN CC[C@H]1CCCCN1c1nc2c(c(=O)[nH]1)[C@@H](C(=O)Nc1ccc(C)cc1)CC(=O)N2 ZINC000040390435 523032252 /nfs/dbraw/zinc/03/22/52/523032252.db2.gz BGPGDASDUQUHRJ-HOTGVXAUSA-N 0 0 409.490 2.912 40 0 HFABRN CC[C@@H](Oc1ccc(F)cc1)C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000044903219 523043005 /nfs/dbraw/zinc/04/30/05/523043005.db2.gz HNTSERHMBKIURH-LJQANCHMSA-N 0 0 406.479 2.823 40 0 HFABRN CC[C@H](C(=O)NCc1ccc(OC)c(OC)c1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000044848977 523786126 /nfs/dbraw/zinc/78/61/26/523786126.db2.gz UPKJWRXOOAUBJR-QGZVFWFLSA-N 0 0 424.494 2.704 40 0 HFABRN CCc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCCC[C@@H]4C)[nH]c(=O)c32)cc1 ZINC000040389002 523990452 /nfs/dbraw/zinc/99/04/52/523990452.db2.gz JFEZAJHHMSNVMM-BBRMVZONSA-N 0 0 409.490 2.776 40 0 HFABRN CN(C)C(=O)COC(=O)c1cccc(S(=O)(=O)N2C[C@@]3(C)C[C@@H]2CC(C)(C)C3)c1 ZINC000032896020 523994898 /nfs/dbraw/zinc/99/48/98/523994898.db2.gz INYNVIUNCJBDPL-KKSFZXQISA-N 0 0 422.547 2.521 40 0 HFABRN Cc1cccc(CCCNC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(C)ccc3O2)c1 ZINC000044909791 524349468 /nfs/dbraw/zinc/34/94/68/524349468.db2.gz HDPFSSLHMWBXNX-HXUWFJFHSA-N 0 0 402.516 2.579 40 0 HFABRN 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ZINC000072399279 526942814 /nfs/dbraw/zinc/94/28/14/526942814.db2.gz ZKHXJFIZAPYXSR-OAHLLOKOSA-N 0 0 420.517 2.665 40 0 HFABRN COc1cc(C)c(CCCC(=O)N2CCN(c3ncc4c(n3)CCOC4)CC2)cc1C ZINC000019567193 536562400 /nfs/dbraw/zinc/56/24/00/536562400.db2.gz KUEMIVLIOTYAPD-UHFFFAOYSA-N 0 0 424.545 2.846 40 0 HFABRN CN(CC(=O)N1CCOCC1)Cc1c(Cl)cccc1NC(=O)c1ccccc1 ZINC000000607900 557019043 /nfs/dbraw/zinc/01/90/43/557019043.db2.gz KSNNEUZOAFRTDS-UHFFFAOYSA-N 0 0 401.894 2.883 40 0 world HFABRN CCOc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 ZINC000000800540 557084658 /nfs/dbraw/zinc/08/46/58/557084658.db2.gz UUMBHNWABPIFJN-AWEZNQCLSA-N 0 0 400.406 2.759 40 0 HFABRN CC(=O)Nc1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000001379499 557257952 /nfs/dbraw/zinc/25/79/52/557257952.db2.gz MXPRUVAZUZWXNR-IBGZPJMESA-N 0 0 401.488 2.745 40 0 HFABRN O=C1N[C@]23C(=O)N(C4CCCCC4)C[C@]2(Cc2ccccc2)c2ccccc2N3C1=O ZINC000001556024 557272109 /nfs/dbraw/zinc/27/21/09/557272109.db2.gz 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ZINC000019741157 558261822 /nfs/dbraw/zinc/26/18/22/558261822.db2.gz UCPPQQPWDLJNER-GOSISDBHSA-N 0 0 420.517 2.819 40 0 HFABRN O=C(C[C@@H]1CCCCO1)N1CCC(c2ccc3c(NCc4ncc[nH]4)n[nH]c3n2)CC1 ZINC000019745157 558265677 /nfs/dbraw/zinc/26/56/77/558265677.db2.gz HQULOBIYXULHGI-INIZCTEOSA-N 0 0 423.521 2.958 40 0 HFABRN CCCn1cnc2cc(NC(=O)Cn3cc(C(=O)NC4CCCC4)ccc3=O)ccc21 ZINC000019746307 558266282 /nfs/dbraw/zinc/26/62/82/558266282.db2.gz DKBSNDBQKXZCTH-UHFFFAOYSA-N 0 0 421.501 2.919 40 0 HFABRN Cc1ccc2c(cc(C(=O)N3CCO[C@@H](C(=O)N4CCc5ccccc5C4)C3)n2C)c1 ZINC000019747779 558267202 /nfs/dbraw/zinc/26/72/02/558267202.db2.gz VCZYGFGQVUVXCR-HSZRJFAPSA-N 0 0 417.509 2.913 40 0 HFABRN Cc1ccccc1CCNC(=O)c1ccc(=O)n(CC(=O)Nc2ccc(F)cc2)c1 ZINC000019749335 558268678 /nfs/dbraw/zinc/26/86/78/558268678.db2.gz IMFKARYBAXSVCK-UHFFFAOYSA-N 0 0 407.445 2.907 40 0 HFABRN COc1cccc(C(=O)N(C)[C@H]2CCCN(C(=O)Cn3nnc4ccccc43)CC2)c1 ZINC000019749770 558269465 /nfs/dbraw/zinc/26/94/65/558269465.db2.gz BJRZIMLMBZGSPA-SFHVURJKSA-N 0 0 421.501 2.593 40 0 HFABRN COc1ccc(CCC(=O)N2CCC[C@@H](NC(=O)c3cnc(C)cn3)CC2)cc1C ZINC000019749757 558269497 /nfs/dbraw/zinc/26/94/97/558269497.db2.gz MUQOUVHLHFKDIR-LJQANCHMSA-N 0 0 410.518 2.846 40 0 HFABRN Cc1ncc(C(=O)N2CCC[C@H](N(C)S(=O)(=O)c3cccc(F)c3)CC2)c(C)n1 ZINC000019749867 558269657 /nfs/dbraw/zinc/26/96/57/558269657.db2.gz BCMDHMUGOJRDLK-KRWDZBQOSA-N 0 0 420.510 2.548 40 0 HFABRN Cc1cccc(CCNC(=O)Cn2cccc(C(=O)Nc3ccc(F)cc3)c2=O)c1 ZINC000019749968 558270056 /nfs/dbraw/zinc/27/00/56/558270056.db2.gz CQLNFPUZWOYFSG-UHFFFAOYSA-N 0 0 407.445 2.907 40 0 HFABRN Cn1cc(C(=O)NCc2ccccc2)c(CC2CCN(C(=O)c3ccncc3)CC2)n1 ZINC000019759280 558275546 /nfs/dbraw/zinc/27/55/46/558275546.db2.gz MLKOMMTYEXVSOT-UHFFFAOYSA-N 0 0 417.513 2.840 40 0 HFABRN Cc1nnsc1C(=O)N1CCC[C@@H]1c1nc(C)ncc1C(=O)NC1CCCCC1 ZINC000019766682 558278998 /nfs/dbraw/zinc/27/89/98/558278998.db2.gz BPJOEBVQDBRHCA-MRXNPFEDSA-N 0 0 414.535 2.985 40 0 HFABRN CCOC(=O)[C@@H]1C(=O)N(CCCOC)c2nc3ccccc3n2[C@@H]1c1ccccn1 ZINC000019818548 558288623 /nfs/dbraw/zinc/28/86/23/558288623.db2.gz KTXAVNLXWYZGGI-RBUKOAKNSA-N 0 0 408.458 2.583 40 0 HFABRN COC(=O)C1=C(C)N(c2ccccc2)C(=O)C[C@@H]1C(=O)Nc1ccc2c(c1)OCCO2 ZINC000019819079 558289047 /nfs/dbraw/zinc/28/90/47/558289047.db2.gz FNXKPPAVNNLRBA-KRWDZBQOSA-N 0 0 422.437 2.896 40 0 HFABRN COC(=O)C1=C(C)N(c2ccccc2)C(=O)C[C@H]1C(=O)Nc1ccc2c(c1)OCCO2 ZINC000019819081 558289136 /nfs/dbraw/zinc/28/91/36/558289136.db2.gz FNXKPPAVNNLRBA-QGZVFWFLSA-N 0 0 422.437 2.896 40 0 HFABRN Nc1nc(N2CCCCC2)nc2c1[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)CC(=O)N2 ZINC000019819905 558290344 /nfs/dbraw/zinc/29/03/44/558290344.db2.gz MCEVORYGIBMABG-NSHDSACASA-N 0 0 418.860 2.906 40 0 HFABRN Cc1c(Cl)cccc1NC(=O)[C@H]1CC(=O)Nc2nc(N3CCCC3)nc(N)c21 ZINC000019819997 558290382 /nfs/dbraw/zinc/29/03/82/558290382.db2.gz FYPGSMSOQMNTDS-NSHDSACASA-N 0 0 400.870 2.685 40 0 HFABRN O=C(COc1ccc(Cl)cc1S(=O)(=O)N1CCCC1)NCCc1ccccc1 ZINC000019935221 558311526 /nfs/dbraw/zinc/31/15/26/558311526.db2.gz IWDAINWHJYYGIC-UHFFFAOYSA-N 0 0 422.934 2.862 40 0 HFABRN COc1ccc(Cl)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)NC1CC1 ZINC000020009356 558318986 /nfs/dbraw/zinc/31/89/86/558318986.db2.gz SIPWAOOAAMMUSZ-MRXNPFEDSA-N 0 0 408.907 2.517 40 0 HFABRN COc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](C)c2ccc(SC)cc2)cc1 ZINC000020012923 558319208 /nfs/dbraw/zinc/31/92/08/558319208.db2.gz FDDVIJKELJVFIO-CQSZACIVSA-N 0 0 408.545 2.915 40 0 HFABRN CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc(F)c(F)c2F)cc1 ZINC000020016306 558320157 /nfs/dbraw/zinc/32/01/57/558320157.db2.gz LNIMYXNNJKMYIF-JTQLQIEISA-N 0 0 402.394 2.808 40 0 HFABRN CC(C)NS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(F)c(F)c2F)cc1 ZINC000020018893 558320783 /nfs/dbraw/zinc/32/07/83/558320783.db2.gz CUMGWUMCSDJONX-UHFFFAOYSA-N 0 0 402.394 2.808 40 0 HFABRN CCCNS(=O)(=O)c1ccc(OCC(=O)N[C@H](C)c2ccccc2OC)cc1 ZINC000020019698 558320942 /nfs/dbraw/zinc/32/09/42/558320942.db2.gz FDXSLYAMEOFGPH-OAHLLOKOSA-N 0 0 406.504 2.640 40 0 HFABRN COc1ccc([C@@H](C)NC(=O)COc2ccc(S(=O)(=O)NC(C)C)cc2C)cc1 ZINC000020021727 558321392 /nfs/dbraw/zinc/32/13/92/558321392.db2.gz FKYVMSXUQJYLSS-MRXNPFEDSA-N 0 0 420.531 2.947 40 0 HFABRN C[C@H](C(=O)NCC1CCCCC1)N1CC[C@]2(CCC1=O)Nc1ccccc1C(=O)N2 ZINC000012086023 558321592 /nfs/dbraw/zinc/32/15/92/558321592.db2.gz YGHOUSYBWIMJFC-WAIKUNEKSA-N 0 0 412.534 2.636 40 0 HFABRN COc1cc(CCC(=O)N[C@H]2C[C@@]3(CCC(=O)N(C)CC3)Oc3ccccc32)on1 ZINC000012086450 558321883 /nfs/dbraw/zinc/32/18/83/558321883.db2.gz IILHOLGJXPQBGU-JTSKRJEESA-N 0 0 413.474 2.637 40 0 HFABRN C[C@H](C(=O)N(C)Cc1ccccc1)N1CC[C@]2(CCC1=O)Nc1ccccc1C(=O)N2 ZINC000012086565 558322108 /nfs/dbraw/zinc/32/21/08/558322108.db2.gz BLOZWTMXFFXVME-MZNJEOGPSA-N 0 0 420.513 2.598 40 0 HFABRN O=C(c1cc2c(s1)CCC2)N1CCC([C@@H]2Nc3ccccc3S(=O)(=O)N2)CC1 ZINC000012089408 558323586 /nfs/dbraw/zinc/32/35/86/558323586.db2.gz RGZKYACQODZZNX-LJQANCHMSA-N 0 0 417.556 2.819 40 0 HFABRN Cc1cccc(O[C@H](C)C(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)c1C ZINC000020036393 558324996 /nfs/dbraw/zinc/32/49/96/558324996.db2.gz AAOVITLFSZENMD-MRXNPFEDSA-N 0 0 402.516 2.910 40 0 HFABRN CCc1nn(CC(=O)NCCc2ccccc2OC)c(=O)c2cc3ccsc3n21 ZINC000012114320 558327304 /nfs/dbraw/zinc/32/73/04/558327304.db2.gz UIUIMNQUJZGXQP-UHFFFAOYSA-N 0 0 410.499 2.641 40 0 HFABRN CCc1nn(CC(=O)N(Cc2ccncc2)C2CC2)c(=O)c2cc3ccsc3n21 ZINC000012114314 558327314 /nfs/dbraw/zinc/32/73/14/558327314.db2.gz ATAKVLRXYOIJKK-UHFFFAOYSA-N 0 0 407.499 2.859 40 0 HFABRN COc1ccc(CCNC(=O)Cn2nc(C)n3c4cc(C)sc4cc3c2=O)cc1 ZINC000012115381 558327759 /nfs/dbraw/zinc/32/77/59/558327759.db2.gz HZGOZRKADLSDHZ-UHFFFAOYSA-N 0 0 410.499 2.695 40 0 HFABRN Cc1cccc(N(CC(=O)NCc2ccc(-n3ccnc3)cc2)S(C)(=O)=O)c1C ZINC000020047322 558327781 /nfs/dbraw/zinc/32/77/81/558327781.db2.gz BSFFEWNRFNNYNJ-UHFFFAOYSA-N 0 0 412.515 2.572 40 0 HFABRN O=C(Cc1n[nH]c(=O)c2ccccc12)N1CCC[C@H](c2n[nH]cc2-c2ccncc2)C1 ZINC000012115950 558328038 /nfs/dbraw/zinc/32/80/38/558328038.db2.gz PHKOSYGQLMAEQO-INIZCTEOSA-N 0 0 414.469 2.657 40 0 HFABRN CC(C)(C)SCCNC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1 ZINC000020104415 558332762 /nfs/dbraw/zinc/33/27/62/558332762.db2.gz ZSMFZSTYHVRKBV-AWEZNQCLSA-N 0 0 406.957 2.515 40 0 HFABRN Cc1ccc(C)c(N(CC(=O)NCc2ccc(-n3ccnc3)cc2)S(C)(=O)=O)c1 ZINC000020105838 558333270 /nfs/dbraw/zinc/33/32/70/558333270.db2.gz HUQWGZTYMXIDGK-UHFFFAOYSA-N 0 0 412.515 2.572 40 0 HFABRN COc1ccc([C@@H](C)NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)N(C)C)cc1 ZINC000020108121 558334299 /nfs/dbraw/zinc/33/42/99/558334299.db2.gz QAZGUIAATVNSOF-QGZVFWFLSA-N 0 0 419.547 2.802 40 0 HFABRN O=C(c1cccc2ncccc21)N1CCC2(CC1)Nc1ccccc1S(=O)(=O)N2 ZINC000012142324 558334696 /nfs/dbraw/zinc/33/46/96/558334696.db2.gz PBJYQBALYXFUFK-UHFFFAOYSA-N 0 0 408.483 2.571 40 0 HFABRN Cc1cc(-c2cn[nH]c2[C@@H]2CCCN(C(=O)CCn3nnc4ccccc43)C2)on1 ZINC000012143591 558335388 /nfs/dbraw/zinc/33/53/88/558335388.db2.gz ICUUJRLNTWGLDR-OAHLLOKOSA-N 0 0 405.462 2.914 40 0 HFABRN COCCn1nnnc1[C@@H](c1ccccc1F)N1CCN(c2ccccc2F)CC1 ZINC000020140338 558338934 /nfs/dbraw/zinc/33/89/34/558338934.db2.gz TWHFHMQTJQCUPA-HXUWFJFHSA-N 0 0 414.460 2.509 40 0 HFABRN COc1ccc(CC(=O)N2CCC(Cn3nc(-c4ccco4)ccc3=O)CC2)cc1 ZINC000012157976 558341004 /nfs/dbraw/zinc/34/10/04/558341004.db2.gz ARXZFADOMZBASH-UHFFFAOYSA-N 0 0 407.470 2.993 40 0 HFABRN COc1ccc(OCC(=O)N2CCC[C@@H]([C@@H]3C[C@H](C(F)F)n4ncnc4N3)C2)cc1 ZINC000012182053 558343147 /nfs/dbraw/zinc/34/31/47/558343147.db2.gz XUVKMHZMWNVNTN-XOKHGSTOSA-N 0 0 421.448 2.595 40 0 HFABRN Cc1cc2cc3c(cc2n2c(=O)n(CC(=O)N4CCC[C@@H]5CCCC[C@H]54)nc12)OCO3 ZINC000012181725 558343193 /nfs/dbraw/zinc/34/31/93/558343193.db2.gz HVDSBCLMVAXRSW-DOTOQJQBSA-N 0 0 422.485 2.868 40 0 HFABRN Cc1nnc(SCC(=O)N[C@H](Cn2nc(-c3cccs3)ccc2=O)C(C)C)o1 ZINC000012182962 558343611 /nfs/dbraw/zinc/34/36/11/558343611.db2.gz NCTUPTLKRJODOK-CQSZACIVSA-N 0 0 419.532 2.596 40 0 HFABRN O=C(CC12C[C@H]3C[C@H](CC(O)(C3)C1)C2)N1CCC2(CC1)NC(=O)c1ccccc1O2 ZINC000012183579 558344054 /nfs/dbraw/zinc/34/40/54/558344054.db2.gz YAWSBMRJFYAFBF-WDXRGRCHSA-N 0 0 410.514 2.849 40 0 HFABRN C[C@H](Oc1cccc(F)c1)C(=O)N1CCC(c2cc(=O)[nH]c(-c3cnccn3)n2)CC1 ZINC000012219672 558355065 /nfs/dbraw/zinc/35/50/65/558355065.db2.gz SWFQZHUQXXPLQX-AWEZNQCLSA-N 0 0 423.448 2.952 40 0 HFABRN Cc1cc(C)n(CCNC(=O)c2cc(-c3cccnc3)c(N3CCOCC3)s2)n1 ZINC000012222999 558356492 /nfs/dbraw/zinc/35/64/92/558356492.db2.gz ODOWZXCRFSRMLS-UHFFFAOYSA-N 0 0 411.531 2.890 40 0 HFABRN CCOc1ccc(C(=O)N2CCC3(CC2)CNC(=O)c2ccc(OC)cc2O3)cc1 ZINC000012225921 558357029 /nfs/dbraw/zinc/35/70/29/558357029.db2.gz UHFWTWIJQFJDLB-UHFFFAOYSA-N 0 0 410.470 2.891 40 0 HFABRN Cc1cc(-c2cnc(N3CCOCC3)nc2C2CCN(c3nccc(C)n3)CC2)on1 ZINC000012232674 558358314 /nfs/dbraw/zinc/35/83/14/558358314.db2.gz WZZPSPAUFZPVDC-UHFFFAOYSA-N 0 0 421.505 2.759 40 0 HFABRN COc1cc2c(cc1CCNS(=O)(=O)c1ccc3c(c1)CCC(=O)N3)CCC2 ZINC000012241777 558360616 /nfs/dbraw/zinc/36/06/16/558360616.db2.gz KFRZDXIGOFAHNT-UHFFFAOYSA-N 0 0 400.500 2.590 40 0 HFABRN CCn1c2nc(-c3ccsc3)nc(C(N)=O)c2n(CC(=O)c2ccc(C)cc2)c1=O ZINC000012276843 558364391 /nfs/dbraw/zinc/36/43/91/558364391.db2.gz OZFUMYVJIWFGAQ-UHFFFAOYSA-N 0 0 421.482 2.632 40 0 HFABRN Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)N3CCN(C)CC3)c2)cc1 ZINC000020459445 558371661 /nfs/dbraw/zinc/37/16/61/558371661.db2.gz KXMRGOKYCDZQGY-UHFFFAOYSA-N 0 0 407.923 2.837 40 0 HFABRN Cn1ncc2c1CCc1sc(NC(=O)CCS(=O)(=O)c3ccc(F)cc3)nc1-2 ZINC000012327306 558383122 /nfs/dbraw/zinc/38/31/22/558383122.db2.gz VOTJFKAQFWNKOE-UHFFFAOYSA-N 0 0 420.491 2.584 40 0 HFABRN COC(=O)CSc1nc2nc3c(cn2n1)C(=O)C[C@H](c1ccc(Cl)cc1)C3 ZINC000020632554 558394956 /nfs/dbraw/zinc/39/49/56/558394956.db2.gz MXUUMOUFOVBXPZ-LLVKDONJSA-N 0 0 402.863 2.956 40 0 HFABRN COC(=O)CSc1nc2nc(C(C)C)c(-c3ccc(OC)c(OC)c3)c(N)n2n1 ZINC000020676283 558400133 /nfs/dbraw/zinc/40/01/33/558400133.db2.gz IKLMAXWUTWFLAA-UHFFFAOYSA-N 0 0 417.491 2.779 40 0 HFABRN CCOC(=O)[C@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@@H]1c1ccccc1F ZINC000020802314 558415851 /nfs/dbraw/zinc/41/58/51/558415851.db2.gz KQIRBHXUMXXYCP-RTBURBONSA-N 0 0 411.433 2.937 40 0 HFABRN CNS(=O)(=O)c1cccc(C(=O)Nc2nnc(SCc3ccccc3)s2)c1 ZINC000021954881 558456507 /nfs/dbraw/zinc/45/65/07/558456507.db2.gz XHPIRLWRXNQWPN-UHFFFAOYSA-N 0 0 420.541 2.991 40 0 HFABRN CC(C)CNC(=O)COc1ccc(N(Cc2ccccc2F)S(C)(=O)=O)cc1 ZINC000022233382 558469936 /nfs/dbraw/zinc/46/99/36/558469936.db2.gz HGQHIDWXPPXYPX-UHFFFAOYSA-N 0 0 408.495 2.943 40 0 HFABRN COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1cn(C)c2ccc(F)cc2c1=O ZINC000022236500 558470687 /nfs/dbraw/zinc/47/06/87/558470687.db2.gz VRDBGUMYBNPVGG-UHFFFAOYSA-N 0 0 414.389 2.734 40 0 HFABRN CCS(=O)(=O)N(C)c1cc(OC)c(OC)cc1C(=O)N[C@@H](C)c1ccccc1 ZINC000022252553 558473574 /nfs/dbraw/zinc/47/35/74/558473574.db2.gz IRTYHXPNUYZXKQ-AWEZNQCLSA-N 0 0 406.504 2.981 40 0 HFABRN COc1ccc(CCCNC(=O)CN(c2cc(C)ccc2C)S(C)(=O)=O)cc1 ZINC000022328680 558479013 /nfs/dbraw/zinc/47/90/13/558479013.db2.gz DUSVSHNZRYUJBW-UHFFFAOYSA-N 0 0 404.532 2.827 40 0 HFABRN CCOc1ccc(N(CC(=O)N[C@@H](C)COc2ccc(C)cc2)S(C)(=O)=O)cc1 ZINC000022333302 558480702 /nfs/dbraw/zinc/48/07/02/558480702.db2.gz XPRVTSXEDJVPCV-KRWDZBQOSA-N 0 0 420.531 2.743 40 0 HFABRN COc1ccc(N(CC(=O)N[C@H](C)c2ccc(C)c(C)c2)S(C)(=O)=O)c(OC)c1 ZINC000022333746 558480869 /nfs/dbraw/zinc/48/08/69/558480869.db2.gz LCHUSPHXWYEZKB-MRXNPFEDSA-N 0 0 420.531 2.964 40 0 HFABRN COc1ccc(N(CC(=O)N[C@@H]2CCCc3ccccc32)S(C)(=O)=O)cc1OC ZINC000022334386 558480897 /nfs/dbraw/zinc/48/08/97/558480897.db2.gz ZWELCQZFIBBPCJ-GOSISDBHSA-N 0 0 418.515 2.664 40 0 HFABRN COc1cc(CNC(=O)CN(c2ccccc2F)S(C)(=O)=O)ccc1OC(C)C ZINC000022335137 558480913 /nfs/dbraw/zinc/48/09/13/558480913.db2.gz LHHXPVPFHVIKOM-UHFFFAOYSA-N 0 0 424.494 2.704 40 0 HFABRN Cc1ccc(OCCNC(=O)CN(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1 ZINC000022336891 558481530 /nfs/dbraw/zinc/48/15/30/558481530.db2.gz LHBCPGGKXVRTQZ-UHFFFAOYSA-N 0 0 410.923 2.918 40 0 HFABRN CN(CCNC(=O)CN(c1cccc2ccccc21)S(C)(=O)=O)c1ccccc1 ZINC000022339829 558482114 /nfs/dbraw/zinc/48/21/14/558482114.db2.gz AZRZPFPBUQCOIG-UHFFFAOYSA-N 0 0 411.527 2.858 40 0 HFABRN CC(C)Oc1ccc(N(CC(=O)Nc2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1 ZINC000022389886 558485997 /nfs/dbraw/zinc/48/59/97/558485997.db2.gz JFVRAAWVNSQHIA-UHFFFAOYSA-N 0 0 420.487 2.650 40 0 HFABRN CCOc1cccc(N(CC(=O)NCc2ccc(OC(C)C)cc2)S(C)(=O)=O)c1 ZINC000022396982 558486603 /nfs/dbraw/zinc/48/66/03/558486603.db2.gz ULJFVLPYANFSKV-UHFFFAOYSA-N 0 0 420.531 2.955 40 0 HFABRN COc1ccc(CN(C)C(=O)CN(c2ccc(OC(C)C)cc2)S(C)(=O)=O)cc1 ZINC000022400491 558487360 /nfs/dbraw/zinc/48/73/60/558487360.db2.gz KOUFPGFUSMQGIB-UHFFFAOYSA-N 0 0 420.531 2.907 40 0 HFABRN CS(=O)(=O)Nc1ccc(Cl)c(C(=O)NCCCN2CCc3ccccc32)c1 ZINC000022513025 558493347 /nfs/dbraw/zinc/49/33/47/558493347.db2.gz FISLCTXFVBNCQZ-UHFFFAOYSA-N 0 0 407.923 2.894 40 0 HFABRN O=S(=O)(Cc1ccccc1F)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1 ZINC000022513722 558493515 /nfs/dbraw/zinc/49/35/15/558493515.db2.gz UPEQMUPTOQCNBI-UHFFFAOYSA-N 0 0 421.475 2.963 40 0 HFABRN CN1CCN(S(=O)(=O)c2ccc(NC(=O)c3cccc(Cl)c3)c(F)c2)CC1 ZINC000037093218 558507232 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CCOC(=O)c1cccc(NC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)c1 ZINC000013670818 558562167 /nfs/dbraw/zinc/56/21/67/558562167.db2.gz LSOIOOXSHLKKBS-UHFFFAOYSA-N 0 0 410.879 2.921 40 0 HFABRN CS(=O)(=O)N(CC(=O)NCCSCc1ccccc1F)c1ccc(F)cc1 ZINC000013672000 558562765 /nfs/dbraw/zinc/56/27/65/558562765.db2.gz WWIODUFNKPHZOS-UHFFFAOYSA-N 0 0 414.499 2.780 40 0 HFABRN CC[C@@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)N(c1ccccc1)S(C)(=O)=O ZINC000013711334 558576024 /nfs/dbraw/zinc/57/60/24/558576024.db2.gz BLSYCJZAPQKMBC-FQEVSTJZSA-N 0 0 419.522 2.719 40 0 HFABRN CC[C@@H](C(=O)N1CCN(Cc2ccccc2)CC1)N(c1ccccc1)S(C)(=O)=O ZINC000013711318 558576051 /nfs/dbraw/zinc/57/60/51/558576051.db2.gz NZQSETBFCLLEFL-NRFANRHFSA-N 0 0 415.559 2.576 40 0 HFABRN CC[C@@H](C(=O)Nc1cccc(C(=O)OC)c1)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000013713965 558577754 /nfs/dbraw/zinc/57/77/54/558577754.db2.gz XDTMBZTVKFMZQR-SFHVURJKSA-N 0 0 404.488 2.965 40 0 HFABRN CC[C@H](C(=O)NCc1ccc2c(c1)OCO2)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000013714731 558578280 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Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NCCOc1ccc(F)cc1 ZINC000029296662 558712943 /nfs/dbraw/zinc/71/29/43/558712943.db2.gz IEBHOYPNXPVDCP-UHFFFAOYSA-N 0 0 406.479 2.727 40 0 HFABRN COc1ccc(S(=O)(=O)NCC2(c3ccccc3)CCOCC2)cc1NC(C)=O ZINC000030426270 558730055 /nfs/dbraw/zinc/73/00/55/558730055.db2.gz HTBXQFDAIQLAMX-UHFFFAOYSA-N 0 0 418.515 2.680 40 0 HFABRN CCS(=O)(=O)N(C)c1ccc(C(=O)N(C)Cc2ccc(OC)c(OC)c2)cc1 ZINC000030859492 558741426 /nfs/dbraw/zinc/74/14/26/558741426.db2.gz AFVHSXFUAPKLJA-UHFFFAOYSA-N 0 0 406.504 2.762 40 0 HFABRN CS(=O)(=O)N1C[C@H](C(=O)Nc2ccc(F)c(F)c2)Oc2ccc(Cl)cc21 ZINC000030938461 558745199 /nfs/dbraw/zinc/74/51/99/558745199.db2.gz VRWSLNMYBGGFKK-OAHLLOKOSA-N 0 0 402.806 2.784 40 0 HFABRN CCN(CC)S(=O)(=O)c1cc(C(=O)NCc2ccc(OC)cc2)ccc1OC ZINC000015590812 558745317 /nfs/dbraw/zinc/74/53/17/558745317.db2.gz UGAFHPWCVITIFM-UHFFFAOYSA-N 0 0 406.504 2.664 40 0 HFABRN Cc1nccn1Cc1ccc(C(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)cc1 ZINC000030947488 558746681 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CCOc1ccc([C@@H](C)NC(=O)CN(c2ccccc2OC)S(C)(=O)=O)cc1 ZINC000038753144 558813721 /nfs/dbraw/zinc/81/37/21/558813721.db2.gz URYVHCWTNBIWGN-OAHLLOKOSA-N 0 0 406.504 2.737 40 0 HFABRN COc1ccc(CN(C)C(=O)CN(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1OC ZINC000038754136 558814171 /nfs/dbraw/zinc/81/41/71/558814171.db2.gz FKKMRCVEMBQZEP-UHFFFAOYSA-N 0 0 420.531 2.745 40 0 HFABRN CCN(c1ccc(C(=O)N[C@H](C)c2ccc(OC)c(OC)c2)cc1)S(C)(=O)=O ZINC000038754060 558814208 /nfs/dbraw/zinc/81/42/08/558814208.db2.gz XKNLOLCVRGCNHR-CQSZACIVSA-N 0 0 406.504 2.981 40 0 HFABRN Cc1ccc(N2CN(CCCN3CCOCC3)Cn3c(=O)c(C)c(C)nc32)cc1C ZINC000038830144 558816522 /nfs/dbraw/zinc/81/65/22/558816522.db2.gz SPFPIDXKMKYMIP-UHFFFAOYSA-N 0 0 411.550 2.568 40 0 HFABRN CC(C)(C)c1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)NCCc1ccccc1)O2 ZINC000038832971 558817069 /nfs/dbraw/zinc/81/70/69/558817069.db2.gz ZMCJSSVJPLQFNW-FQEVSTJZSA-N 0 0 416.543 2.870 40 0 HFABRN CC(C)(C)c1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)NCCc1ccccc1)O2 ZINC000038832970 558817091 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HFABRN CC(C)(C)OC(=O)N[C@H](Cc1cc(=O)[nH]c(N2CCOCC2)n1)c1ccc(F)cc1 ZINC000019083246 558840410 /nfs/dbraw/zinc/84/04/10/558840410.db2.gz VIMNRGMIEXYLAT-QGZVFWFLSA-N 0 0 418.469 2.966 40 0 HFABRN CC(C)(C)S(=O)(=O)c1ccsc1C(=O)NCCn1c(=O)oc2ccccc21 ZINC000019083272 558840491 /nfs/dbraw/zinc/84/04/91/558840491.db2.gz FZJHOLQBAIOCRF-UHFFFAOYSA-N 0 0 408.501 2.658 40 0 HFABRN Cc1cc(C(F)(F)F)n2nc([C@H]3CCCCN3S(=O)(=O)N3CCCC3)cc2n1 ZINC000019116750 558842098 /nfs/dbraw/zinc/84/20/98/558842098.db2.gz ATTBZZDKNJFWNT-CQSZACIVSA-N 0 0 417.457 2.924 40 0 HFABRN Cc1cc(-c2cnc(N3CCOCC3)nc2[C@H]2CCCN(C(=O)c3ccco3)C2)on1 ZINC000019122185 558843604 /nfs/dbraw/zinc/84/36/04/558843604.db2.gz MTYIMHFMURWHRE-INIZCTEOSA-N 0 0 423.473 2.889 40 0 HFABRN Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H]([C@H]1CCCN(C(=O)[C@H]3CC(=O)OC3(C)C)C1)N2 ZINC000019127509 558844898 /nfs/dbraw/zinc/84/48/98/558844898.db2.gz CTQOYUHIDPVQJF-LJISPDSOSA-N 0 0 410.465 2.762 40 0 HFABRN Cc1ccc(-c2cccc(C[C@]3(C(N)=O)CN(C(=O)c4cccnc4)CCO3)c2)cc1 ZINC000019212754 558849019 /nfs/dbraw/zinc/84/90/19/558849019.db2.gz OWMNFGDZILWSME-RUZDIDTESA-N 0 0 415.493 2.996 40 0 HFABRN Cc1ccc(-c2nc3c(c(C(N)=O)n2)n(CC(=O)c2ccccc2)c(=O)n3C(C)C)o1 ZINC000019216765 558850412 /nfs/dbraw/zinc/85/04/12/558850412.db2.gz HOAZYNPIFPOVHD-UHFFFAOYSA-N 0 0 419.441 2.724 40 0 HFABRN Cc1ccc2c(c1)C(=O)CC1(CCN(C(=O)c3nc4nc(C)cc(C)n4n3)CC1)O2 ZINC000019218305 558850986 /nfs/dbraw/zinc/85/09/86/558850986.db2.gz LZLVWPDOMMECNC-UHFFFAOYSA-N 0 0 405.458 2.690 40 0 HFABRN Cc1cccc(Nc2noc3c2CN(C(=O)C[C@@H]2CCS(=O)(=O)C2)CC3)c1C ZINC000019235651 558854869 /nfs/dbraw/zinc/85/48/69/558854869.db2.gz JYUXVDHENIJSCF-HNNXBMFYSA-N 0 0 403.504 2.745 40 0 HFABRN Cc1cccc2cc([C@H](c3nnnn3C3CCCCC3)N3CCN(C)CC3)c(=O)[nH]c12 ZINC000019236430 558855581 /nfs/dbraw/zinc/85/55/81/558855581.db2.gz QOQDQAOCPCKWJM-OAQYLSRUSA-N 0 0 421.549 2.665 40 0 HFABRN COc1cccc(OCCc2nnc(NC(=O)c3cnn4cc(C)cnc34)s2)c1 ZINC000019239349 558858050 /nfs/dbraw/zinc/85/80/50/558858050.db2.gz 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CCOC(=O)c1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000053898894 558865428 /nfs/dbraw/zinc/86/54/28/558865428.db2.gz VPYCAHMZJRKSLG-INIZCTEOSA-N 0 0 416.499 2.903 40 0 HFABRN O=C(Nc1ccnn1Cc1ccc2c(c1)OCO2)c1cccc(N2C(=O)CCC2=O)c1 ZINC000019294373 558865789 /nfs/dbraw/zinc/86/57/89/558865789.db2.gz AHUJPSGJNGUVPX-UHFFFAOYSA-N 0 0 418.409 2.566 40 0 HFABRN O=C(NCCCO)C1(C[C@@H]2CC(c3ccc(C(F)(F)F)cc3)=NO2)CCOCC1 ZINC000019333036 558868927 /nfs/dbraw/zinc/86/89/27/558868927.db2.gz NRHZAZGHCCUGQJ-INIZCTEOSA-N 0 0 414.424 2.884 40 0 HFABRN O=C(NCCCO)C1(C[C@H]2CC(c3ccc(C(F)(F)F)cc3)=NO2)CCOCC1 ZINC000019333040 558869028 /nfs/dbraw/zinc/86/90/28/558869028.db2.gz NRHZAZGHCCUGQJ-MRXNPFEDSA-N 0 0 414.424 2.884 40 0 HFABRN O=C(C1CCCCC1)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CCN(Cc2cccnc2)C3)C1 ZINC000019339471 558871046 /nfs/dbraw/zinc/87/10/46/558871046.db2.gz HUUGJXKXZIJPOG-LJQANCHMSA-N 0 0 421.545 2.619 40 0 HFABRN O=C(NCc1ccc2[nH]c(=O)[nH]c2c1)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000019345823 558873343 /nfs/dbraw/zinc/87/33/43/558873343.db2.gz DCIOAVACBBHDOD-UHFFFAOYSA-N 0 0 419.407 2.803 40 0 HFABRN O=C(C1CCCC1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CCN(Cc1ccncc1)C2 ZINC000019405342 558884649 /nfs/dbraw/zinc/88/46/49/558884649.db2.gz UTTYDHNLJIPXSW-OAQYLSRUSA-N 0 0 421.545 2.967 40 0 HFABRN CC(C)[C@H](NC(=O)c1cc2ncc(CCO)cn2n1)c1ccc2c(c1)OCCCO2 ZINC000019445833 558885955 /nfs/dbraw/zinc/88/59/55/558885955.db2.gz YHKJLRZHKJOKAM-NRFANRHFSA-N 0 0 410.474 2.553 40 0 HFABRN C[C@H]1CCCC[C@H]1NC(=O)CN1c2c(cnn2-c2ccccc2)C2=NCCN2C1=O ZINC000019496220 558895192 /nfs/dbraw/zinc/89/51/92/558895192.db2.gz LLTLDLPWDDXYAI-MAUKXSAKSA-N 0 0 406.490 2.569 40 0 HFABRN COc1ccc2sc(NC(=O)CN3C(=O)N[C@@]4(CCCC[C@H]4C)C3=O)nc2c1 ZINC000019496142 558895272 /nfs/dbraw/zinc/89/52/72/558895272.db2.gz HATHEVZOUAUDHH-NSPYISDASA-N 0 0 402.476 2.744 40 0 HFABRN C[C@@H]1CCc2noc(C3CCN(C(=O)[C@H]4CC(=O)N(Cc5ccncc5)C4)CC3)c2C1 ZINC000019497165 558896231 /nfs/dbraw/zinc/89/62/31/558896231.db2.gz FYDRMIKPTZTDCC-APWZRJJASA-N 0 0 422.529 2.949 40 0 HFABRN CCCC(=O)N1CCC[C@H](c2nc3c(c(=O)[nH]2)CN(C(=O)c2ccc(C)cc2)CC3)C1 ZINC000019501315 558899271 /nfs/dbraw/zinc/89/92/71/558899271.db2.gz BQPITDMVWZOUCT-SFHVURJKSA-N 0 0 422.529 2.783 40 0 HFABRN CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCN(S(=O)(=O)N4CCCC4)C3)cc2N1 ZINC000019520806 558902101 /nfs/dbraw/zinc/90/21/01/558902101.db2.gz BNVAAIDULYJTAL-GZBFAFLISA-N 0 0 421.489 2.711 40 0 HFABRN CCc1[nH]nc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)c2cc(=O)[nH]c(C)n2)c1C ZINC000019520974 558902268 /nfs/dbraw/zinc/90/22/68/558902268.db2.gz URJVAHHOOGBWGA-SFHVURJKSA-N 0 0 404.474 2.867 40 0 HFABRN CCn1cc(CN2CCN(C(=O)[C@@H](C)Cn3nc(C)c(Cl)c3C)CC2)c(C)n1 ZINC000019524560 558905777 /nfs/dbraw/zinc/90/57/77/558905777.db2.gz MEBJRLFITLUXQC-AWEZNQCLSA-N 0 0 406.962 2.659 40 0 HFABRN CCN1CCN(C(=O)[C@@H]2CCCO2)C[C@@H](Cc2cccc(-c3cccnc3)c2)C1=O ZINC000019527536 558908721 /nfs/dbraw/zinc/90/87/21/558908721.db2.gz ZBPMTVBSRIIKDY-YADHBBJMSA-N 0 0 407.514 2.777 40 0 HFABRN CCN1C(=O)c2ccccc2C(=O)[C@@]2(C)CN(C(=O)c3c(OC)cccc3OC)C[C@@H]12 ZINC000019528273 558909440 /nfs/dbraw/zinc/90/94/40/558909440.db2.gz CUXLFBLUMQYPNH-DVECYGJZSA-N 0 0 422.481 2.893 40 0 HFABRN CCOc1cc(C)ccc1OCC(=O)N1CCO[C@H](c2nc(-c3ccccn3)no2)C1 ZINC000019532260 558912401 /nfs/dbraw/zinc/91/24/01/558912401.db2.gz DZNIPMMSMKEUAZ-IBGZPJMESA-N 0 0 424.457 2.818 40 0 HFABRN CCOc1ccc(CC(=O)N2CC[C@H](c3cc(=O)[nH]c(-c4ccccn4)n3)C2)cc1 ZINC000019532794 558912847 /nfs/dbraw/zinc/91/28/47/558912847.db2.gz XLVXDMOGCOEERD-KRWDZBQOSA-N 0 0 404.470 2.789 40 0 HFABRN COc1ccc(C(=O)N2CCC(c3cc(=O)[nH]c(-c4ccccn4)n3)CC2)c(OC)c1 ZINC000019551884 558915652 /nfs/dbraw/zinc/91/56/52/558915652.db2.gz CFCKDJIHCXHFRR-UHFFFAOYSA-N 0 0 420.469 2.869 40 0 HFABRN Cc1c(CN(CCN2CCOCC2)Cc2cccnc2)cnn1Cc1ccccc1 ZINC000019554492 558917507 /nfs/dbraw/zinc/91/75/07/558917507.db2.gz WYQAFCVIPBMMCO-UHFFFAOYSA-N 0 0 405.546 2.969 40 0 HFABRN Cc1nn([C@@H](C)CC(=O)N2CCC(c3noc(-c4ccc(=O)[nH]c4)n3)CC2)c(C)c1C ZINC000019556108 558918743 /nfs/dbraw/zinc/91/87/43/558918743.db2.gz DPRPZWBKWINZJZ-ZDUSSCGKSA-N 0 0 424.505 2.904 40 0 HFABRN Cc1nn(CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)c2cc(=O)[nH]c(C)n2)c(C)c1C ZINC000019556572 558919055 /nfs/dbraw/zinc/91/90/55/558919055.db2.gz ORQJEAGDOOMJEV-FQEVSTJZSA-N 0 0 418.501 2.782 40 0 HFABRN COc1ccc(-c2n[nH]cc2CN(CCN2CCOCC2)Cc2cccnc2)cc1 ZINC000019557837 558919780 /nfs/dbraw/zinc/91/97/80/558919780.db2.gz DYSKKNDVIVZVSM-UHFFFAOYSA-N 0 0 407.518 2.815 40 0 HFABRN COc1ccc(-n2ncc(C(=O)[C@H]3CCN(C(=O)CCc4ccncc4)C3)c2N)cc1 ZINC000019558778 558920484 /nfs/dbraw/zinc/92/04/84/558920484.db2.gz QVMKHRBXQBNMHP-KRWDZBQOSA-N 0 0 419.485 2.522 40 0 HFABRN Cc1nonc1CC(=O)N1CCC(c2nc(NC(C)C)ncc2-c2ccncc2)CC1 ZINC000019558941 558920527 /nfs/dbraw/zinc/92/05/27/558920527.db2.gz WFCYUCBXYDNOMC-UHFFFAOYSA-N 0 0 421.505 2.999 40 0 HFABRN CC(=O)N1CSC[C@@H]1C(=O)N1CCC(c2nc(C)c(-c3ccncn3)s2)CC1 ZINC000019560654 558921478 /nfs/dbraw/zinc/92/14/78/558921478.db2.gz YNSHFHIRGVPNAB-MRXNPFEDSA-N 0 0 417.560 2.536 40 0 HFABRN COc1ccc2c(c1)NC[C@@H]2CC(=O)N1CCC[C@](O)(Cn2cnc3ccccc32)C1 ZINC000019562726 558923358 /nfs/dbraw/zinc/92/33/58/558923358.db2.gz JDAJPRSMKOHORZ-BXKMTCNYSA-N 0 0 420.513 2.998 40 0 HFABRN Cc1cc(C(F)(F)F)c2c(n1)onc2[C@@H]1CCCN(C(=O)CCn2cncn2)C1 ZINC000019568674 558927742 /nfs/dbraw/zinc/92/77/42/558927742.db2.gz QHFRTBYEWMFPEN-GFCCVEGCSA-N 0 0 408.384 2.938 40 0 HFABRN COc1ccccc1OCC(=O)N1C[C@@H](c2cccc(F)c2)[C@]2(C1)CCCC(=O)N2 ZINC000019571442 558930149 /nfs/dbraw/zinc/93/01/49/558930149.db2.gz BOHKKCGOYFGIRV-FDDCHVKYSA-N 0 0 412.461 2.878 40 0 HFABRN CS(=O)(=O)c1ccc(-n2ncc3c2C[C@H]2CC[C@@H]3N2C(=O)c2cccnc2)cc1 ZINC000019573465 558931454 /nfs/dbraw/zinc/93/14/54/558931454.db2.gz CKVSWGGDYGHTQE-APWZRJJASA-N 0 0 408.483 2.573 40 0 HFABRN CSCC[C@@H](NC(=O)c1ccc2c(c1)OCO2)c1cc(=O)[nH]c(-c2cccnc2)n1 ZINC000019573983 558931811 /nfs/dbraw/zinc/93/18/11/558931811.db2.gz RCAFCJGDVOURQN-OAHLLOKOSA-N 0 0 424.482 2.785 40 0 HFABRN Cc1cc(C(F)F)n2ncc(C(=O)N[C@H](C)Cn3c(=O)oc4ccccc43)c2n1 ZINC000072324311 558933244 /nfs/dbraw/zinc/93/32/44/558933244.db2.gz QFBDDERDXYFMLS-LLVKDONJSA-N 0 0 401.373 2.702 40 0 HFABRN CCn1nc(C)c(NC(=O)CN2CC[C@@]3(CC(=O)c4ccccc4O3)CCC2=O)c1C ZINC000072327553 558933993 /nfs/dbraw/zinc/93/39/93/558933993.db2.gz OLTGKGBTHTXZJM-HSZRJFAPSA-N 0 0 424.501 2.875 40 0 HFABRN CN(C)C(=O)[C@@]1(Cc2ccccc2-c2cncnc2)CCCN(C(=O)[C@@H]2CCCO2)C1 ZINC000019578967 558934521 /nfs/dbraw/zinc/93/45/21/558934521.db2.gz UHQBIGXYGOVDEL-XUZZJYLKSA-N 0 0 422.529 2.562 40 0 HFABRN Cc1noc(C)c1CCC(=O)N1CC[C@H](C(=O)c2cnn(-c3ccccc3)c2N)C1 ZINC000019580575 558936216 /nfs/dbraw/zinc/93/62/16/558936216.db2.gz FQHCVDCAWJEUJV-INIZCTEOSA-N 0 0 407.474 2.723 40 0 HFABRN C[C@H]1CN(c2nc3c(c(=O)[nH]2)CCN(Cc2cnc4ccccc4c2)C3)C[C@H](C)O1 ZINC000072335476 558936382 /nfs/dbraw/zinc/93/63/82/558936382.db2.gz PNGMCJXHKOZMIH-HOTGVXAUSA-N 0 0 405.502 2.902 40 0 HFABRN CS(=O)(=O)c1cnc(-c2cccnc2)nc1C1CCN(Cc2ccccn2)CC1 ZINC000072335863 558936916 /nfs/dbraw/zinc/93/69/16/558936916.db2.gz IJJNTGZLCSGRTP-UHFFFAOYSA-N 0 0 409.515 2.717 40 0 HFABRN COc1ccc(N2C[C@@H](C(=O)N(C)C[C@H]3OCCc4ccccc43)CC2=O)c(OC)c1 ZINC000019585997 558939425 /nfs/dbraw/zinc/93/94/25/558939425.db2.gz PKGXDDRSUZNQJQ-HTAPYJJXSA-N 0 0 424.497 2.829 40 0 HFABRN Cc1ccn(CCNS(=O)(=O)c2ccc3c(c2)[C@@H](NC(=O)c2ccccc2)CC3)n1 ZINC000072345854 558942443 /nfs/dbraw/zinc/94/24/43/558942443.db2.gz WLHFCKVIPMXJNT-NRFANRHFSA-N 0 0 424.526 2.587 40 0 HFABRN Cc1cc(CN(C)S(=O)(=O)c2ccc3c(c2)[C@@H](NC(=O)c2ccccc2)CC3)[nH]n1 ZINC000072345858 558942456 /nfs/dbraw/zinc/94/24/56/558942456.db2.gz CXQXRGOBSXURFS-NRFANRHFSA-N 0 0 424.526 2.956 40 0 HFABRN CNC(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)CN(Cc2ccncc2)CCO1 ZINC000019591927 558942922 /nfs/dbraw/zinc/94/29/22/558942922.db2.gz JQJUPSGKDFRXSJ-DEOSSOPVSA-N 0 0 402.498 2.703 40 0 HFABRN C[C@H]1CN(c2nc3c(c(=O)[nH]2)CCN(Cc2ccc4ncccc4c2)C3)C[C@H](C)O1 ZINC000072347174 558943938 /nfs/dbraw/zinc/94/39/38/558943938.db2.gz AAIDJZBTZTVBNF-HOTGVXAUSA-N 0 0 405.502 2.902 40 0 HFABRN CCc1nccn1CCC(=O)Nc1ccccc1[C@@H]1NC(=O)c2cccnc2N1C ZINC000072347386 558944489 /nfs/dbraw/zinc/94/44/89/558944489.db2.gz GWEVBHBMRLLMQH-OAQYLSRUSA-N 0 0 404.474 2.748 40 0 HFABRN Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCC[C@H](C)C4)[nH]c(=O)c32)cc1C ZINC000040388902 558947180 /nfs/dbraw/zinc/94/71/80/558947180.db2.gz AAWWQWHNRHXGHE-BLLLJJGKSA-N 0 0 409.490 2.688 40 0 HFABRN Cc1cc(N2CC[C@@H](c3cc(C(=O)N(C)CCO)c4ccccc4n3)C2)nc(C)n1 ZINC000072352663 558949246 /nfs/dbraw/zinc/94/92/46/558949246.db2.gz GXSQMNROLUGFQK-QGZVFWFLSA-N 0 0 405.502 2.700 40 0 HFABRN Cn1cnc(S(=O)(=O)N2CCC[C@@H]2c2ccc(Nc3ccc(F)cn3)cn2)c1 ZINC000072353226 558949927 /nfs/dbraw/zinc/94/99/27/558949927.db2.gz RWATXNOEWAXEEX-MRXNPFEDSA-N 0 0 402.455 2.619 40 0 HFABRN Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](c2cc(-c3cnn(C)c3)cc(C)n2)C1 ZINC000072353741 558950866 /nfs/dbraw/zinc/95/08/66/558950866.db2.gz FGTABMVWWLTXAR-INIZCTEOSA-N 0 0 415.519 2.964 40 0 HFABRN Cc1cc(-c2cnc(N)nc2)cc([C@H]2CCCN(C(=O)CN3CCCCCC3=O)C2)n1 ZINC000072353708 558950918 /nfs/dbraw/zinc/95/09/18/558950918.db2.gz MBFYPGSHTCFHAD-KRWDZBQOSA-N 0 0 422.533 2.538 40 0 HFABRN COc1ccccc1Cc1cc(C)nc([C@@H]2CCCN(C(=O)CCn3cnnn3)C2)c1 ZINC000072354058 558951442 /nfs/dbraw/zinc/95/14/42/558951442.db2.gz DMWYNSCLZDLKAD-HXUWFJFHSA-N 0 0 420.517 2.772 40 0 HFABRN NC(=O)c1cccc(-c2cnc(N)nc2[C@@H]2CCCN2C(=O)c2ccc(F)cc2)c1 ZINC000072354630 558951803 /nfs/dbraw/zinc/95/18/03/558951803.db2.gz FZHFXJQYRPTADQ-SFHVURJKSA-N 0 0 405.433 2.941 40 0 HFABRN COc1ccc(CCC(=O)N2CCC[C@@H]2c2nc(N)ncc2-c2cnn(C)c2)cc1 ZINC000072354779 558952023 /nfs/dbraw/zinc/95/20/23/558952023.db2.gz RJXKYGKCNHKOKD-LJQANCHMSA-N 0 0 406.490 2.764 40 0 HFABRN COc1ccc(N2C[C@H](NC(=O)C3(c4cccc(F)c4)CCOCC3)CC2=O)cc1 ZINC000019662031 558953029 /nfs/dbraw/zinc/95/30/29/558953029.db2.gz PYXBAKAUSPDYBD-GOSISDBHSA-N 0 0 412.461 2.804 40 0 HFABRN Cn1ccnc1C(=O)N1CC[C@H](c2c3ccccc3sc2C(=O)N2CCOCC2)C1 ZINC000072356229 558953053 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418.501 2.948 40 0 HFABRN CNC(=O)c1ccc(-c2ccc([C@@H]3CCCN3C(=O)c3n[nH]c4c3CCC4)nc2)cn1 ZINC000019688873 558958324 /nfs/dbraw/zinc/95/83/24/558958324.db2.gz VNRSQDYRXLPUNL-FQEVSTJZSA-N 0 0 416.485 2.692 40 0 HFABRN CC(=O)NCC(=O)N1CCC[C@@H]1c1nc(N(C)C)ncc1-c1ccc(Cl)cc1 ZINC000019689997 558959407 /nfs/dbraw/zinc/95/94/07/558959407.db2.gz MJQBHXJKIAREDM-QGZVFWFLSA-N 0 0 401.898 2.663 40 0 HFABRN COc1cccc(-c2cnc(N(C)C)nc2[C@H]2CCCN(C(=O)Cn3cccn3)C2)c1 ZINC000019694250 558962497 /nfs/dbraw/zinc/96/24/97/558962497.db2.gz VHYQPFYNLDRYLG-SFHVURJKSA-N 0 0 420.517 2.821 40 0 HFABRN Cc1cc(Cc2ccccc2)cc([C@@H]2CCN(C(=O)COCCN3CCCC3=O)C2)n1 ZINC000072374799 558962736 /nfs/dbraw/zinc/96/27/36/558962736.db2.gz HLNGGPZIPQLYTF-JOCHJYFZSA-N 0 0 421.541 2.936 40 0 HFABRN COCC(=O)N1CCC[C@@H](c2nc(C)c3c(n2)N(CC2CCCCC2)C(=O)CC3)C1 ZINC000019696126 558964337 /nfs/dbraw/zinc/96/43/37/558964337.db2.gz BBTJGEYHVMRNSN-GOSISDBHSA-N 0 0 414.550 2.997 40 0 HFABRN 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O=C(NCCc1ccccc1)C(=O)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000408708230 557735494 /nfs/dbraw/zinc/73/54/94/557735494.db2.gz HSHABXQICOXSRW-UHFFFAOYSA-N 0 0 401.466 2.914 40 0 HFABRN CCN(c1ccc(C(=O)NC2=S=C(c3ccc(C)cc3)N=N2)cc1)S(C)(=O)=O ZINC000408717954 557760331 /nfs/dbraw/zinc/76/03/31/557760331.db2.gz YPBPIMSWSWLLBG-UHFFFAOYSA-N 0 0 416.528 2.975 40 0 HFABRN Cc1ccc(C2=S=C(NC(=O)c3ccc(N(C)S(C)(=O)=O)c(C)c3)N=N2)cc1 ZINC000408717956 557760378 /nfs/dbraw/zinc/76/03/78/557760378.db2.gz AOIUUAXXAZJRDH-UHFFFAOYSA-N 0 0 416.528 2.894 40 0 HFABRN O=C1CCC(=O)N1c1cccc(S(=O)(=O)Nc2cccc(Br)c2)c1 ZINC000408721243 557769011 /nfs/dbraw/zinc/76/90/11/557769011.db2.gz FRVBMCXPJQOBKF-UHFFFAOYSA-N 0 0 409.261 2.903 40 0 HFABRN CNS(=O)(=O)c1cc(C(=O)N2CCC(Cc3ccccc3)CC2)ccc1OC ZINC000008476059 557792912 /nfs/dbraw/zinc/79/29/12/557792912.db2.gz UNZNHSKNBBIJTE-UHFFFAOYSA-N 0 0 402.516 2.698 40 0 HFABRN C[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1sc2c(c1C(N)=O)CCCC2 ZINC000408739109 557804383 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HFABRN CN(C)S(=O)(=O)N1CCC([C@]2(C)CCCCN(Cc3ccccc3)C2=O)CC1 ZINC000019744986 558265705 /nfs/dbraw/zinc/26/57/05/558265705.db2.gz BRAPXNYMPDXLRP-NRFANRHFSA-N 0 0 407.580 2.724 40 0 HFABRN Cn1c(-c2ccccc2)cnc1NC(=O)Cn1cccc(C(=O)NC2CCCC2)c1=O ZINC000019746390 558266547 /nfs/dbraw/zinc/26/65/47/558266547.db2.gz VDMATAXADAMHEV-UHFFFAOYSA-N 0 0 419.485 2.560 40 0 HFABRN Cc1ncsc1C(=O)N[C@@H]1CCCN(C(=O)c2ccc3nsnc3c2)CC1 ZINC000019749063 558268175 /nfs/dbraw/zinc/26/81/75/558268175.db2.gz NVVGKRQUSUYNSY-CYBMUJFWSA-N 0 0 401.517 2.881 40 0 HFABRN C[C@H](NC(=O)CC1CCN(S(=O)(=O)c2cccc(F)c2)CC1)c1ccccn1 ZINC000019748822 558268304 /nfs/dbraw/zinc/26/83/04/558268304.db2.gz OSJRCNAHJCOBQB-HNNXBMFYSA-N 0 0 405.495 2.889 40 0 HFABRN COc1ccccc1OCC(=O)N1CCC[C@H]1c1ncc(C(=O)N2CCCC2)c(C)n1 ZINC000019756200 558274464 /nfs/dbraw/zinc/27/44/64/558274464.db2.gz GJPJPTKYMKPMBU-SFHVURJKSA-N 0 0 424.501 2.772 40 0 HFABRN COc1ccc(CCC(=O)N2CC[C@@H](c3ncc(C(=O)N4CCCC4)c(C)n3)C2)cc1 ZINC000019757395 558274787 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409.486 2.541 40 0 HFABRN COc1ccc(NC(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)c(OC)c1 ZINC000019930605 558310123 /nfs/dbraw/zinc/31/01/23/558310123.db2.gz DVIWCGBYEWKEQY-UHFFFAOYSA-N 0 0 404.488 2.716 40 0 HFABRN COc1ccc(Cl)cc1N([C@@H](C)C(=O)NCc1ccc(F)cc1)S(C)(=O)=O ZINC000019931877 558310487 /nfs/dbraw/zinc/31/04/87/558310487.db2.gz REVMAOPBKRYUFB-LBPRGKRZSA-N 0 0 414.886 2.959 40 0 HFABRN CS(=O)(=O)N1C[C@H](C(=O)N2CCCc3ccccc32)Oc2ccc(Cl)cc21 ZINC000019933055 558311012 /nfs/dbraw/zinc/31/10/12/558311012.db2.gz BCBOUWMMLMQBGS-GOSISDBHSA-N 0 0 406.891 2.846 40 0 HFABRN CC[C@@H](Oc1cccc(OC)c1)C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000019933346 558311181 /nfs/dbraw/zinc/31/11/81/558311181.db2.gz QFORPXMMYSOPRJ-HXUWFJFHSA-N 0 0 412.486 2.926 40 0 HFABRN COC[C@H](C)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1c(C)cc(C)cc1C ZINC000020004893 558318109 /nfs/dbraw/zinc/31/81/09/558318109.db2.gz YVTQVARFCGRBEC-ICSRJNTNSA-N 0 0 418.559 2.653 40 0 HFABRN CCOc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H]2CCCc3ccccc32)cc1 ZINC000020013629 558319362 /nfs/dbraw/zinc/31/93/62/558319362.db2.gz OJIYEXTXOWADQJ-HXUWFJFHSA-N 0 0 402.516 2.900 40 0 HFABRN CCOc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](C)c2ccccc2OC)cc1 ZINC000020013626 558319376 /nfs/dbraw/zinc/31/93/76/558319376.db2.gz XWAQKNBKBHLJKF-OAHLLOKOSA-N 0 0 406.504 2.592 40 0 HFABRN COc1ccc([C@@H](C)NC(=O)CN(C)S(=O)(=O)c2ccc(OC)c(C)c2)cc1 ZINC000020013680 558319399 /nfs/dbraw/zinc/31/93/99/558319399.db2.gz POBSGTQFSLBQGM-OAHLLOKOSA-N 0 0 406.504 2.510 40 0 HFABRN CCOc1ccc(S(=O)(=O)N(CC)CC(=O)N[C@H](C)c2ccccc2OC)cc1 ZINC000020013888 558319411 /nfs/dbraw/zinc/31/94/11/558319411.db2.gz QEXLCLNDQQIWID-MRXNPFEDSA-N 0 0 420.531 2.982 40 0 HFABRN CCN(CC(=O)N[C@@H](C)c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccccc1 ZINC000020014557 558319561 /nfs/dbraw/zinc/31/95/61/558319561.db2.gz NFGRSZKOEOKRIO-HNNXBMFYSA-N 0 0 406.504 2.592 40 0 HFABRN CCN(CC(=O)N[C@@H](C)c1ccccc1OC)S(=O)(=O)c1cc(F)ccc1OC ZINC000020015998 558319949 /nfs/dbraw/zinc/31/99/49/558319949.db2.gz SDXWUJVNVJCRJN-AWEZNQCLSA-N 0 0 424.494 2.731 40 0 HFABRN COc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)C(=O)Nc1cc(F)ccc1F ZINC000020016423 558320171 /nfs/dbraw/zinc/32/01/71/558320171.db2.gz MUMLZRGFGBOVPM-SECBINFHSA-N 0 0 404.822 2.932 40 0 HFABRN COc1ccc(S(=O)(=O)N2CCC[C@H](Cn3nnc(-c4cccs4)n3)C2)cc1 ZINC000012085357 558321437 /nfs/dbraw/zinc/32/14/37/558321437.db2.gz KTNZTWYTJHIZRN-AWEZNQCLSA-N 0 0 419.532 2.511 40 0 HFABRN C[C@@H](C(=O)NCC1CCCCC1)N1CC[C@]2(CCC1=O)Nc1ccccc1C(=O)N2 ZINC000012086024 558321633 /nfs/dbraw/zinc/32/16/33/558321633.db2.gz YGHOUSYBWIMJFC-QMHKHESXSA-N 0 0 412.534 2.636 40 0 HFABRN COc1cc(CCC(=O)N[C@H]2C[C@]3(CCC(=O)N(C)CC3)Oc3ccccc32)on1 ZINC000012086448 558321787 /nfs/dbraw/zinc/32/17/87/558321787.db2.gz IILHOLGJXPQBGU-HTAPYJJXSA-N 0 0 413.474 2.637 40 0 HFABRN COc1cc(C(=O)N[C@@H]2CCCc3ccccc32)c(N(C)S(C)(=O)=O)cc1OC ZINC000020030149 558324107 /nfs/dbraw/zinc/32/41/07/558324107.db2.gz UPVQPVIQIDBZNJ-QGZVFWFLSA-N 0 0 418.515 2.907 40 0 HFABRN COc1cc(C(=O)Nc2ccc(F)c(F)c2F)c(N(C)S(C)(=O)=O)cc1OC ZINC000020030158 558324179 /nfs/dbraw/zinc/32/41/79/558324179.db2.gz OMCIRBNWBZVRSN-UHFFFAOYSA-N 0 0 418.393 2.769 40 0 HFABRN Cc1cccc(C)c1N(CC(=O)NCc1ccc(-n2ccnc2)cc1)S(C)(=O)=O ZINC000020035542 558324661 /nfs/dbraw/zinc/32/46/61/558324661.db2.gz YJKWYFYMGOAMQJ-UHFFFAOYSA-N 0 0 412.515 2.572 40 0 HFABRN COc1ccc([C@@H](C)NC(=O)[C@H](C)N(c2ccccc2)S(C)(=O)=O)cc1OC ZINC000020043727 558326770 /nfs/dbraw/zinc/32/67/70/558326770.db2.gz SLCAHBUWKJMQDR-CABCVRRESA-N 0 0 406.504 2.736 40 0 HFABRN CC[C@H](NC(=O)[C@@H]1CN(S(=O)(=O)CC)c2ccccc2O1)c1ccc(OC)cc1 ZINC000020047396 558327760 /nfs/dbraw/zinc/32/77/60/558327760.db2.gz AOEYZPBSMYRUJW-PXNSSMCTSA-N 0 0 418.515 2.880 40 0 HFABRN Cc1nccn1C[C@H](C)C(=O)N1CCC[C@H](n2nc(-c3cccs3)ccc2=O)C1 ZINC000012116215 558328225 /nfs/dbraw/zinc/32/82/25/558328225.db2.gz KPXTYDFTNXKFHW-RDJZCZTQSA-N 0 0 411.531 2.977 40 0 HFABRN CCc1nc2c(nnn2[C@@H]2CCCN(C(=O)C3(c4ccc(C)cc4)CC3)C2)c(=O)[nH]1 ZINC000012119473 558330216 /nfs/dbraw/zinc/33/02/16/558330216.db2.gz BZHKWOGNZNUWAA-MRXNPFEDSA-N 0 0 406.490 2.693 40 0 HFABRN O=c1[nH]c(-c2cccnc2)nc2c1CN(Cc1ccc(Sc3nc[nH]n3)o1)CC2 ZINC000012122063 558330804 /nfs/dbraw/zinc/33/08/04/558330804.db2.gz FSRLEORYQCKLGY-UHFFFAOYSA-N 0 0 407.459 2.665 40 0 HFABRN Cc1ccc(-c2ccc(NCc3ccco3)nn2)cc1S(=O)(=O)N1CCOCC1 ZINC000020096143 558331471 /nfs/dbraw/zinc/33/14/71/558331471.db2.gz FBBHBQXXKZYNDM-UHFFFAOYSA-N 0 0 414.487 2.678 40 0 HFABRN C[C@H]1CCCC[C@@H]1NC(=O)Cn1c2ccccc2n2c(=O)n(Cc3ccccn3)nc12 ZINC000012144998 558336350 /nfs/dbraw/zinc/33/63/50/558336350.db2.gz ROKCURCGGJXIPM-WMZOPIPTSA-N 0 0 418.501 2.589 40 0 HFABRN C[C@@H]1CCc2c(sc3ncn(C4CCN(C(=O)[C@@H]5CCCO5)CC4)c(=O)c32)C1 ZINC000012145479 558336684 /nfs/dbraw/zinc/33/66/84/558336684.db2.gz MGKHOJHYBYDMBZ-CJNGLKHVSA-N 0 0 401.532 2.925 40 0 HFABRN O=C(CN1c2ccccc2C(=O)N2CCC[C@H]2C1=O)NC12CC3CC(CC(C3)C1)C2 ZINC000012146298 558337705 /nfs/dbraw/zinc/33/77/05/558337705.db2.gz JKVHXWZKEGQNEE-ZDCBYCKXSA-N 0 0 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ZINC000020461136 558373003 /nfs/dbraw/zinc/37/30/03/558373003.db2.gz FMAIKNMGSSLXDW-ZDUSSCGKSA-N 0 0 417.369 2.906 40 0 HFABRN CCOc1ccc([C@@H](C)NC(=O)c2ccc(N(C)S(=O)(=O)N(C)C)cc2)cc1 ZINC000020483901 558376006 /nfs/dbraw/zinc/37/60/06/558376006.db2.gz AFRRESFZNQKPPN-OAHLLOKOSA-N 0 0 405.520 2.819 40 0 HFABRN Cc1ccc([C@@H](C)NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)cc1 ZINC000020485715 558376418 /nfs/dbraw/zinc/37/64/18/558376418.db2.gz WVVUYRCICIKMSM-QGZVFWFLSA-N 0 0 402.516 2.815 40 0 HFABRN COc1ccc(CCCNC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)cc1 ZINC000020493462 558379027 /nfs/dbraw/zinc/37/90/27/558379027.db2.gz NZOYOSPRVBZORH-UHFFFAOYSA-N 0 0 422.572 2.906 40 0 HFABRN O=C1CCCN1c1ccc(S(=O)(=O)NCC2(c3ccccc3)CCOCC2)cc1 ZINC000012362652 558387359 /nfs/dbraw/zinc/38/73/59/558387359.db2.gz DBVPBTGYLQMHFX-UHFFFAOYSA-N 0 0 414.527 2.840 40 0 HFABRN CCOC(=O)CSc1nc2nc3c(cn2n1)C(=O)C[C@@H](c1ccc(OC)cc1)C3 ZINC000020796500 558414303 /nfs/dbraw/zinc/41/43/03/558414303.db2.gz HCYOZKHYRDIWQK-ZDUSSCGKSA-N 0 0 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ZINC000022229996 558468786 /nfs/dbraw/zinc/46/87/86/558468786.db2.gz YKKRKFSSVMWLKU-LJQANCHMSA-N 0 0 416.499 2.998 40 0 HFABRN CN(c1ccc(OCC(=O)Nc2ccccc2Br)cc1)S(C)(=O)=O ZINC000022230532 558469044 /nfs/dbraw/zinc/46/90/44/558469044.db2.gz GMNRXOKCWTVGEE-UHFFFAOYSA-N 0 0 413.293 2.862 40 0 HFABRN COC(=O)c1cc(NC(=O)c2cn3c4c(cccc4c2=O)CCC3)cc(C(=O)OC)c1 ZINC000022235512 558470543 /nfs/dbraw/zinc/47/05/43/558470543.db2.gz ZRHPGJUDFCPCCP-UHFFFAOYSA-N 0 0 420.421 2.773 40 0 HFABRN COc1ccc(C)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCCCC1 ZINC000022246843 558472261 /nfs/dbraw/zinc/47/22/61/558472261.db2.gz CGOFEVZIKUMPGI-IBGZPJMESA-N 0 0 416.543 2.906 40 0 HFABRN CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](C)CC)cc1 ZINC000022247610 558472556 /nfs/dbraw/zinc/47/25/56/558472556.db2.gz VBSNUONDGBBHHE-UZLBHIALSA-N 0 0 404.532 2.890 40 0 HFABRN COc1cc(C(=O)NCc2ccccc2Cl)c(N(C)S(C)(=O)=O)cc1OC ZINC000022251237 558473147 /nfs/dbraw/zinc/47/31/47/558473147.db2.gz UWHDIFJEOZQHRP-UHFFFAOYSA-N 0 0 412.895 2.683 40 0 HFABRN Cc1ccccc1OC[C@@H](C)NC(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O ZINC000022330985 558479878 /nfs/dbraw/zinc/47/98/78/558479878.db2.gz XFKBCZKYQLBTER-OAHLLOKOSA-N 0 0 410.923 2.998 40 0 HFABRN COc1ccc(C)cc1N(CC(=O)N[C@H](C)COc1ccccc1C)S(C)(=O)=O ZINC000022336345 558481383 /nfs/dbraw/zinc/48/13/83/558481383.db2.gz PPGWODUOUNNTHU-QGZVFWFLSA-N 0 0 420.531 2.662 40 0 HFABRN Cc1ccc(OC[C@H](C)NC(=O)CN(c2cccc(C)c2C)S(C)(=O)=O)cc1 ZINC000022340696 558482293 /nfs/dbraw/zinc/48/22/93/558482293.db2.gz VZVNHCPRUOLCGT-KRWDZBQOSA-N 0 0 404.532 2.962 40 0 HFABRN COc1ccc(CCNC(=O)CN(c2ccc(OC(C)C)cc2)S(C)(=O)=O)cc1 ZINC000022385902 558485247 /nfs/dbraw/zinc/48/52/47/558485247.db2.gz KWBAKUVTJXEREG-UHFFFAOYSA-N 0 0 420.531 2.607 40 0 HFABRN CCOc1ccc(CNC(=O)CN(c2ccc(OC(C)C)cc2)S(C)(=O)=O)cc1 ZINC000022396034 558486642 /nfs/dbraw/zinc/48/66/42/558486642.db2.gz WSHVSPOPFJZPDA-UHFFFAOYSA-N 0 0 420.531 2.955 40 0 HFABRN COCc1nc(N2CCN(c3ccccc3OC)CC2)[nH]c(=O)c1Cc1ccccc1 ZINC000022448586 558489985 /nfs/dbraw/zinc/48/99/85/558489985.db2.gz BMKOLEKADPOSAJ-UHFFFAOYSA-N 0 0 420.513 2.842 40 0 HFABRN CC(=O)N1CCCc2cc(S(=O)(=O)NCCOc3cc(C)cc(C)c3)ccc21 ZINC000022496364 558492261 /nfs/dbraw/zinc/49/22/61/558492261.db2.gz NTIAEDXFTNQIGW-UHFFFAOYSA-N 0 0 402.516 2.960 40 0 HFABRN COC(=O)c1cc(NC(=O)c2ccc(CN3CCCC3=O)cc2)cc(C(=O)OC)c1 ZINC000022514873 558493674 /nfs/dbraw/zinc/49/36/74/558493674.db2.gz NAJLXLVWJFYBKK-UHFFFAOYSA-N 0 0 410.426 2.635 40 0 HFABRN CCOc1ccccc1N(CC(=O)N[C@H](C)c1ccc(OC)cc1)S(C)(=O)=O ZINC000022515381 558493929 /nfs/dbraw/zinc/49/39/29/558493929.db2.gz OVQDOLKXWJWSQK-OAHLLOKOSA-N 0 0 406.504 2.737 40 0 HFABRN CS(=O)(=O)N(CC(=O)NCc1ccccc1-n1ccnc1)c1ccc(Cl)cc1 ZINC000022521666 558494783 /nfs/dbraw/zinc/49/47/83/558494783.db2.gz NHBAJEVXXNKFEB-UHFFFAOYSA-N 0 0 418.906 2.608 40 0 HFABRN CC[C@H](NC(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O)c1ccccc1 ZINC000022530060 558496736 /nfs/dbraw/zinc/49/67/36/558496736.db2.gz NBYAQSQOXQCJFX-KRWDZBQOSA-N 0 0 406.504 2.737 40 0 HFABRN CC[C@H](Oc1ccc(F)cc1)C(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000022529976 558496747 /nfs/dbraw/zinc/49/67/47/558496747.db2.gz KFDFSQJGEMEWFJ-FQEVSTJZSA-N 0 0 420.506 2.825 40 0 HFABRN CC[C@@H](NC(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O)c1ccccc1 ZINC000022530052 558496751 /nfs/dbraw/zinc/49/67/51/558496751.db2.gz NBYAQSQOXQCJFX-QGZVFWFLSA-N 0 0 406.504 2.737 40 0 HFABRN Cc1cc(C)cc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCC(C)CC4)[nH]c(=O)c32)c1 ZINC000022610315 558501675 /nfs/dbraw/zinc/50/16/75/558501675.db2.gz KNEJAOOHWASRDL-MRXNPFEDSA-N 0 0 409.490 2.688 40 0 HFABRN Cc1cc(-c2snnc2[C@H]2CCCN(C(=O)C[C@@H]3CC(C)(C)OC3=O)C2)on1 ZINC000013225972 558526479 /nfs/dbraw/zinc/52/64/79/558526479.db2.gz GXYVKROYPQYXHL-QWHCGFSZSA-N 0 0 404.492 2.939 40 0 HFABRN COc1ccc(C(=O)NCc2ccco2)cc1S(=O)(=O)NCCc1ccccc1 ZINC000013581763 558544893 /nfs/dbraw/zinc/54/48/93/558544893.db2.gz IUJPGLBUBNBCCL-UHFFFAOYSA-N 0 0 414.483 2.739 40 0 HFABRN CCOC(=O)c1cccc(NC(=O)[C@@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)c1 ZINC000013612578 558549023 /nfs/dbraw/zinc/54/90/23/558549023.db2.gz JHCAZFJGCCVJNC-OAHLLOKOSA-N 0 0 404.488 2.965 40 0 HFABRN COC(=O)c1cccc(NC(=O)CN(c2ccc(F)c(Cl)c2)S(C)(=O)=O)c1 ZINC000013646337 558556839 /nfs/dbraw/zinc/55/68/39/558556839.db2.gz DXOAHWVLYJENFN-UHFFFAOYSA-N 0 0 414.842 2.670 40 0 HFABRN C[C@H]1Cc2ccccc2N1C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O ZINC000013672466 558562992 /nfs/dbraw/zinc/56/29/92/558562992.db2.gz MHGGCSPMWSSZHV-HNNXBMFYSA-N 0 0 416.499 2.939 40 0 HFABRN COc1ccc(N(CCCC(=O)NCc2cccnc2)S(C)(=O)=O)cc1Cl ZINC000013678030 558565111 /nfs/dbraw/zinc/56/51/11/558565111.db2.gz XKMNGRSPPJCMAM-UHFFFAOYSA-N 0 0 411.911 2.606 40 0 HFABRN COC(=O)c1c(NC(=O)CCN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)sc2c1CCCC2 ZINC000013688839 558571336 /nfs/dbraw/zinc/57/13/36/558571336.db2.gz JQIJWOWNTNJTBJ-BETUJISGSA-N 0 0 416.499 2.693 40 0 HFABRN COc1ccc(S(=O)(=O)Nc2ccc(CC(=O)N3CCCC3)cc2)cc1OC ZINC000013848683 558597865 /nfs/dbraw/zinc/59/78/65/558597865.db2.gz IRHHRBXFEILDCM-UHFFFAOYSA-N 0 0 404.488 2.670 40 0 HFABRN CCSc1nnc(NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)s1 ZINC000014740311 558666534 /nfs/dbraw/zinc/66/65/34/558666534.db2.gz UQZOLUSEDGUWKU-UHFFFAOYSA-N 0 0 406.942 2.563 40 0 HFABRN COc1ccc(CN(C)C(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 ZINC000014820050 558674069 /nfs/dbraw/zinc/67/40/69/558674069.db2.gz VHSLQNDMWSAKTH-UHFFFAOYSA-N 0 0 402.516 2.755 40 0 HFABRN COCCNC(=O)CSc1nnc(Cc2ccccc2)n1-c1ccc(OC)cc1 ZINC000039760008 558685430 /nfs/dbraw/zinc/68/54/30/558685430.db2.gz HCAMAKBFFYYZNJ-UHFFFAOYSA-N 0 0 412.515 2.721 40 0 HFABRN CC(=O)n1cc(/C=c2\sc3nc(Cc4ccccc4)nn3c2=O)c2ccccc21 ZINC000028294902 558698731 /nfs/dbraw/zinc/69/87/31/558698731.db2.gz PYWXUNKXZNGDLU-UNOMPAQXSA-N 0 0 400.463 2.904 40 0 HFABRN COc1ccc(S(=O)(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1Cl ZINC000030326916 558728894 /nfs/dbraw/zinc/72/88/94/558728894.db2.gz BFNBXJMJZYXUBG-LLVKDONJSA-N 0 0 403.909 2.792 40 0 HFABRN COC(=O)c1ccc(C)c(S(=O)(=O)NCC2(c3ccccc3)CCOCC2)c1 ZINC000030426287 558730115 /nfs/dbraw/zinc/73/01/15/558730115.db2.gz KJQYYVRRFYVUHG-UHFFFAOYSA-N 0 0 403.500 2.808 40 0 HFABRN CCOc1ccc(CNC(=O)c2ccc(CS(=O)(=O)N3CCCC3)cc2)cc1 ZINC000030858938 558741514 /nfs/dbraw/zinc/74/15/14/558741514.db2.gz JLIDXJFTVZHEJZ-UHFFFAOYSA-N 0 0 402.516 2.941 40 0 HFABRN Cc1ccc(N([C@H](C)C(=O)NCc2ccccc2-n2ccnc2)S(C)(=O)=O)cc1 ZINC000030865611 558742406 /nfs/dbraw/zinc/74/24/06/558742406.db2.gz MSNRFBAJLDQKSX-QGZVFWFLSA-N 0 0 412.515 2.652 40 0 HFABRN O=C(NC1CCCC1)[C@H]1[C@H]2C(=O)N(CCc3c[nH]c4ccccc34)C[C@@]23C=C[C@@H]1O3 ZINC000015894198 558760839 /nfs/dbraw/zinc/76/08/39/558760839.db2.gz BKUUIFFOXCFCCJ-XARGGIHNSA-N 0 0 405.498 2.551 40 0 biogenic HFABRN COc1ccc(C(=O)Nc2ccc(Br)cc2)cc1S(=O)(=O)N(C)C ZINC000016027946 558769151 /nfs/dbraw/zinc/76/91/51/558769151.db2.gz AYYNDXJCMCCCDY-UHFFFAOYSA-N 0 0 413.293 2.960 40 0 HFABRN COc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)NCCC1=CCCCC1 ZINC000016187770 558776354 /nfs/dbraw/zinc/77/63/54/558776354.db2.gz CQOIQROYXLOPER-UHFFFAOYSA-N 0 0 400.928 2.976 40 0 HFABRN COc1cc(Br)cc(/C=c2\sc3nc4ccccc4n3c2=O)c1O ZINC000016195019 558777871 /nfs/dbraw/zinc/77/78/71/558777871.db2.gz BGXXWFRRNAQZNC-AUWJEWJLSA-N 0 0 403.257 2.934 40 0 HFABRN O=C(CN(C(=O)CNC(=O)c1ccco1)c1cnc2ccccc2c1)NC1CCCC1 ZINC000035288932 558789490 /nfs/dbraw/zinc/78/94/90/558789490.db2.gz PTFOXIDQYGCQKE-UHFFFAOYSA-N 0 0 420.469 2.650 40 0 HFABRN CCCCOCCOCCOC(=O)CCC(=O)OCCOCCOCCCC ZINC000016639089 558797369 /nfs/dbraw/zinc/79/73/69/558797369.db2.gz QICCAJUIJTYFGF-UHFFFAOYSA-N 0 0 406.516 2.520 40 0 HFABRN CCN(CC(=O)N1CCN(c2cccc(C)c2C)CC1)S(=O)(=O)c1ccccc1 ZINC000016678341 558799052 /nfs/dbraw/zinc/79/90/52/558799052.db2.gz CGWMERVAOLTXQD-UHFFFAOYSA-N 0 0 415.559 2.663 40 0 HFABRN CC(C)[C@H]1CC[C@H](C)C[C@H]1NS(=O)(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000036387104 558799583 /nfs/dbraw/zinc/79/95/83/558799583.db2.gz HIPUADPSSUGYSG-BMGDILEWSA-N 0 0 402.582 2.676 40 0 HFABRN COc1ccc(OC)c(N(CC(=O)N[C@H](C)c2ccc(C)cc2)S(C)(=O)=O)c1 ZINC000038772683 558815496 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/nfs/dbraw/zinc/35/51/92/569355192.db2.gz NVUQRDWQNFVOKL-PKOBYXMFSA-N 0 0 422.934 2.525 40 0 HFABRN CCOc1c(Br)cc(/C=C/C(=O)NCCCC(=O)OC)cc1OC ZINC000062714734 569388276 /nfs/dbraw/zinc/38/82/76/569388276.db2.gz JDQMYFBEYPJRGT-BQYQJAHWSA-N 0 0 400.269 2.939 40 0 HFABRN Cc1ccc(S(=O)(=O)N[C@H](C(=O)/N=c2\sc3ccccc3n2C)C(C)C)cc1 ZINC000012488019 569401601 /nfs/dbraw/zinc/40/16/01/569401601.db2.gz SXKYMLXLASOONT-OQLSDQBISA-N 0 0 417.556 2.979 40 0 HFABRN COc1ccccc1NC(=O)[C@@H]1CN(C(=O)COc2ccccc2)Cc2cn(C)nc21 ZINC000019696112 569428550 /nfs/dbraw/zinc/42/85/50/569428550.db2.gz QLFNADNOBSNXCR-GOSISDBHSA-N 0 0 420.469 2.572 40 0 HFABRN Cc1nc(Nc2nccnc2[C@H]2CCCN(C(=O)C=Cc3c[nH]cn3)C2)sc1C ZINC000585290813 571309873 /nfs/dbraw/zinc/30/98/73/571309873.db2.gz FXPGCAWKYDUPIO-NFAHFFEMSA-N 0 0 409.519 3.436 40 0 HFABRN CN1C[C@@H](NC(=O)c2ccc(F)cc2)C[C@H]1c1nc(-c2ccc3c(c2)OCO3)no1 ZINC000020464361 575366370 /nfs/dbraw/zinc/36/63/70/575366370.db2.gz ODWNPMCHGYTJDP-HOTGVXAUSA-N 0 0 410.405 2.780 40 0 biogenic,in-vitro HFABRN COC[C@H]1CCCN1C(=O)[C@@H](C)[C@@H]1CC[C@@]2(C)CC[C@H](NC(C)=O)[C@@H](C)[C@@H]2[C@H]1O ZINC000020466132 575368349 /nfs/dbraw/zinc/36/83/49/575368349.db2.gz QXHCJQYQGNJXCN-YPYJQNCTSA-N 0 0 408.583 2.588 40 0 biogenic,in-vitro HFABRN C/C=C/C=C/C=C/C(=O)O[C@H]1C=C2[C@H](O)OC(=O)[C@]2(O)[C@@]2(C)CCCC(C)(C)[C@H]12 ZINC000031159875 291214159 /nfs/dbraw/zinc/21/41/59/291214159.db2.gz SZNYTCZAXYAIIP-ONEDMEGSSA-N 0 0 402.487 2.966 40 0 biogenic,in-vitro HFABRN CC1(C)CN(C(=O)NCc2ccccc2)C[C@@H]2CN(C(=O)c3ccccc3)CCN21 ZINC000253400547 291217645 /nfs/dbraw/zinc/21/76/45/291217645.db2.gz LJCVKTIOYJPJEE-NRFANRHFSA-N 0 0 406.530 2.817 40 0 biogenic,in-vitro HFABRN CC(C)(C)CC(=O)N[C@H]1C[C@H]2C(=O)Nc3ccc(Br)cc3C(=O)N2C1 ZINC000008299670 291216667 /nfs/dbraw/zinc/21/66/67/291216667.db2.gz HJANHMAUCVKJDR-FZMZJTMJSA-N 0 0 408.296 2.537 40 0 biogenic,in-vitro HFABRN COc1ccccc1C(=O)N1CCN2[C@@H](C1)CN(C(=O)c1ccccc1)CC2(C)C ZINC000253394538 291226016 /nfs/dbraw/zinc/22/60/16/291226016.db2.gz BGFKQPAAYJCZIP-IBGZPJMESA-N 0 0 407.514 2.756 40 0 biogenic,in-vitro HFABRN Cc1ccc(-c2noc([C@@H]3C[C@H](NS(=O)(=O)c4ccc(F)cc4)CN3C)n2)cc1 ZINC000012529757 291226771 /nfs/dbraw/zinc/22/67/71/291226771.db2.gz AIPBALNMKMSLCN-WMZOPIPTSA-N 0 0 416.478 2.908 40 0 biogenic,in-vitro HFABRN Cc1ccc(C(=O)N[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3n2cc(CC3CCCCC3)nn2)cc1 ZINC000005409895 291227007 /nfs/dbraw/zinc/22/70/07/291227007.db2.gz UMPSCPHCFRNJQK-FNAHDJPLSA-N 0 0 410.518 2.847 40 0 biogenic,in-vitro HFABRN c1nc2n(c1-c1ccc3c(c1)OCO3)C[C@H](C[NH2+]Cc1ccc3c(c1)OCO3)OC2 ZINC000096269341 291230632 /nfs/dbraw/zinc/23/06/32/291230632.db2.gz HHAQMWAPALAYGD-INIZCTEOSA-N 0 0 407.426 2.696 40 0 biogenic,in-vitro HFABRN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCCc2ccccc21 ZINC000007608312 132325021 /nfs/dbraw/zinc/32/50/21/132325021.db2.gz SXNDLFZSCKWIMB-UHFFFAOYSA-N 0 0 400.500 2.609 40 0 HFABRN COc1cc(C(=O)Sc2nc(C)cc(N3CCOCC3)n2)cc(OC)c1OC ZINC000008549399 132330308 /nfs/dbraw/zinc/33/03/08/132330308.db2.gz FIFHCQHHEONPQW-UHFFFAOYSA-N 0 0 405.476 2.580 40 0 HFABRN Oc1ccc(N2CCN([C@@H](c3nnnn3C3CCCC3)c3ccncc3)CC2)cc1 ZINC000019335341 132466946 /nfs/dbraw/zinc/46/69/46/132466946.db2.gz SMNMAHGKWFHKMC-OAQYLSRUSA-N 0 0 405.506 2.800 40 0 HFABRN CC(C)CC(=O)N1CCC[C@@H](c2nc(-c3ccccn3)ncc2S(C)(=O)=O)C1 ZINC000072389623 519579307 /nfs/dbraw/zinc/57/93/07/519579307.db2.gz MMYVAEPVOKZADZ-OAHLLOKOSA-N 0 0 402.520 2.694 40 0 HFABRN CC(=O)Nc1cccc(NC(=O)C[C@@H](NS(C)(=O)=O)c2ccc(Cl)cc2)c1 ZINC000225952717 519742169 /nfs/dbraw/zinc/74/21/69/519742169.db2.gz RZWKYJXXPNXYQW-QGZVFWFLSA-N 0 0 409.895 2.918 40 0 HFABRN CCOC(=O)C1(c2ccc(NC(=O)CN(C3CCCCC3)S(C)(=O)=O)cc2)CC1 ZINC000226040904 520471702 /nfs/dbraw/zinc/47/17/02/520471702.db2.gz BTHIBSMPTKDGGT-UHFFFAOYSA-N 0 0 422.547 2.814 40 0 HFABRN CC1(C)C[C@@H](NC(=O)[C@@H]2CN(S(C)(=O)=O)c3ccccc3O2)c2ccccc2O1 ZINC000044918662 520518607 /nfs/dbraw/zinc/51/86/07/520518607.db2.gz MTHQPTMGIFDIAU-BEFAXECRSA-N 0 0 416.499 2.632 40 0 HFABRN CCCCNC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(OC)c(C)c1 ZINC000020008444 520653516 /nfs/dbraw/zinc/65/35/16/520653516.db2.gz JTZVDGBJXMSXFD-LJQANCHMSA-N 0 0 404.532 2.810 40 0 HFABRN CCOc1ccc([C@@H](C)NC(=O)CN(c2cccc(OC)c2)S(C)(=O)=O)cc1 ZINC000044883171 521218357 /nfs/dbraw/zinc/21/83/57/521218357.db2.gz ZUTWXHDRZCZGIM-OAHLLOKOSA-N 0 0 406.504 2.737 40 0 HFABRN CCc1ccccc1N(CC(=O)Nc1ccc(N2CCCC2=O)cc1)S(C)(=O)=O ZINC000020454690 521850625 /nfs/dbraw/zinc/85/06/25/521850625.db2.gz CEIKSMXTLOBVEZ-UHFFFAOYSA-N 0 0 415.515 2.781 40 0 HFABRN CN(C)S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(OCc3ccccc3)cc2)C1 ZINC000044848797 521960349 /nfs/dbraw/zinc/96/03/49/521960349.db2.gz FLWZATMRHUITCK-SFHVURJKSA-N 0 0 417.531 2.723 40 0 HFABRN CC[C@H](NC(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C)c1ccc(OC)cc1 ZINC000019933249 522387007 /nfs/dbraw/zinc/38/70/07/522387007.db2.gz VTOLCTZFPWKHKP-SFHVURJKSA-N 0 0 423.510 2.715 40 0 HFABRN CCc1nccn1CCC(=O)Nc1ccccc1[C@H]1NC(=O)c2cccnc2N1C ZINC000072347387 522583145 /nfs/dbraw/zinc/58/31/45/522583145.db2.gz GWEVBHBMRLLMQH-NRFANRHFSA-N 0 0 404.474 2.748 40 0 HFABRN CC[C@@H]1CCCCN1c1nc2c(c(=O)[nH]1)[C@@H](C(=O)Nc1cccc(F)c1)CC(=O)N2 ZINC000040390513 523179820 /nfs/dbraw/zinc/17/98/20/523179820.db2.gz PUZLPBFHHZFMFJ-CABCVRRESA-N 0 0 413.453 2.742 40 0 HFABRN CCn1cc(-c2nnc(SCC(=O)Nc3ccc(OC)c(OC)c3)n2CC)cn1 ZINC000032604402 523301594 /nfs/dbraw/zinc/30/15/94/523301594.db2.gz MRBIVJGXAPECKI-UHFFFAOYSA-N 0 0 416.507 2.929 40 0 HFABRN COc1ccc(CN(C)S(=O)(=O)c2ccc(OC)c(N3CCCC3=O)c2)cc1 ZINC000044849956 524008394 /nfs/dbraw/zinc/00/83/94/524008394.db2.gz HEVPVNQEADCWOD-UHFFFAOYSA-N 0 0 404.488 2.651 40 0 HFABRN COc1ccc(CNC(=O)[C@@H](C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1OC ZINC000044901466 524062122 /nfs/dbraw/zinc/06/21/22/524062122.db2.gz PPPRHCOVHNWVDX-MRXNPFEDSA-N 0 0 420.531 2.792 40 0 HFABRN C[C@H]1CCCN(c2nc3c(c(=O)[nH]2)[C@@H](C(=O)Nc2ccc(Cl)cc2)CC(=O)N3)C1 ZINC000040388784 524106510 /nfs/dbraw/zinc/10/65/10/524106510.db2.gz PVYPGYNRWQDPOG-FZMZJTMJSA-N 0 0 415.881 2.724 40 0 HFABRN C[C@@H]1CCCCN1c1nc2c(c(=O)[nH]1)[C@@H](C(=O)Nc1ccccc1Cl)CC(=O)N2 ZINC000040390313 524120367 /nfs/dbraw/zinc/12/03/67/524120367.db2.gz LXOWVKVNZBHKCV-NEPJUHHUSA-N 0 0 415.881 2.867 40 0 HFABRN Cc1ccc(C)c(NC(=O)Cn2cccc3c(=O)n(Cc4cccs4)c(=O)nc2-3)c1 ZINC000032616219 524141306 /nfs/dbraw/zinc/14/13/06/524141306.db2.gz MLFLQFDAHQOAMW-UHFFFAOYSA-N 0 0 420.494 2.875 40 0 HFABRN C[C@@H]1CCCC[C@H]1NC(=O)CN1c2c(cnn2-c2ccc(F)cc2)C2=NCCN2C1=O ZINC000072347772 524166807 /nfs/dbraw/zinc/16/68/07/524166807.db2.gz CYYQDAIBCICNTB-RDTXWAMCSA-N 0 0 424.480 2.709 40 0 HFABRN COc1ccccc1C(=O)Nc1c(F)c(C(=O)NCc2ccc(F)cc2)nn1C ZINC000041070616 524356439 /nfs/dbraw/zinc/35/64/39/524356439.db2.gz LKKOQGOATOABIC-UHFFFAOYSA-N 0 0 400.385 2.889 40 0 HFABRN COc1ccccc1CCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000044846000 524402131 /nfs/dbraw/zinc/40/21/31/524402131.db2.gz YAFUJHPCYZZIPC-KRWDZBQOSA-N 0 0 422.572 2.906 40 0 HFABRN COc1ccccc1CNC(=O)c1cn(C)nc1CC1CCN(Cc2ncc[nH]2)CC1 ZINC000019756556 524482975 /nfs/dbraw/zinc/48/29/75/524482975.db2.gz WFCHIBORKITNPY-UHFFFAOYSA-N 0 0 422.533 2.537 40 0 HFABRN C[C@H](CO)Nc1nc(Nc2ccc(F)cc2Br)cc(-c2ccccn2)n1 ZINC000329006288 524556601 /nfs/dbraw/zinc/55/66/01/524556601.db2.gz LCJJKGBDEWDBQK-LLVKDONJSA-N 0 0 418.270 2.820 40 0 HFABRN COc1ccc(Nc2nc3c(c(=O)[nH]2)[C@H](C(=O)Nc2ccccc2C)CC(=O)N3)cc1 ZINC000040399807 524721319 /nfs/dbraw/zinc/72/13/19/524721319.db2.gz DXQQKWQXSWADHJ-OAHLLOKOSA-N 0 0 419.441 2.895 40 0 HFABRN Cc1cccc(OCC(=O)Nc2nnc(S(=O)(=O)N(C)c3ccccc3)s2)c1 ZINC000041085473 524722466 /nfs/dbraw/zinc/72/24/66/524722466.db2.gz OMXHXZNQKXCHEG-UHFFFAOYSA-N 0 0 418.500 2.689 40 0 HFABRN COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)Cc1ccc(OC)c(OC)c1 ZINC000020482003 525051664 /nfs/dbraw/zinc/05/16/64/525051664.db2.gz UFZFBLHYEYXEDR-UHFFFAOYSA-N 0 0 422.503 2.580 40 0 HFABRN CS(=O)(=O)N(CC(=O)NCCCc1ccc(Cl)cc1)Cc1ccccc1F ZINC000225816016 525149711 /nfs/dbraw/zinc/14/97/11/525149711.db2.gz VGVRNDMMIGBSTQ-UHFFFAOYSA-N 0 0 412.914 2.990 40 0 HFABRN CS(=O)(=O)c1cccnc1[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000072394207 525279474 /nfs/dbraw/zinc/27/94/74/525279474.db2.gz QVJBCBYVJSQXDR-CYBMUJFWSA-N 0 0 414.936 2.707 40 0 HFABRN Cc1ccc(Nc2nc(Nc3ccc(C(N)=O)cc3)nc(N3CCOCC3)n2)cc1C ZINC000032604232 525327393 /nfs/dbraw/zinc/32/73/93/525327393.db2.gz PUZOZOTVOKUMDP-UHFFFAOYSA-N 0 0 419.489 2.911 40 0 HFABRN C[C@@]12CC[C@]3(C)OCC(COC(=O)C(O)(c4ccccc4)c4ccccc4)(CO1)N23 ZINC000031937743 525916545 /nfs/dbraw/zinc/91/65/45/525916545.db2.gz SLQLKXHYBDUTIT-VXKWHMMOSA-N 0 0 409.482 2.793 40 0 HFABRN Cn1cc(C(=O)N2CC[C@@H](c3c4ccccc4sc3C(=O)N3CCOCC3)C2)cn1 ZINC000072352175 527161411 /nfs/dbraw/zinc/16/14/11/527161411.db2.gz ZPMCCHKOJQYXDR-OAHLLOKOSA-N 0 0 424.526 2.737 40 0 HFABRN O=C(C[C@H]1NC(=O)c2ccccc21)N1CCC[C@@H](n2nc(-c3ccco3)ccc2=O)C1 ZINC000072334919 527181637 /nfs/dbraw/zinc/18/16/37/527181637.db2.gz UKBDBSNVZFMWMV-DNVCBOLYSA-N 0 0 418.453 2.542 40 0 HFABRN Cn1ccnc1[C@@]1(O)CCCN(c2ncc(-c3cnccn3)c(-c3ccco3)n2)CC1 ZINC000072338668 527462890 /nfs/dbraw/zinc/46/28/90/527462890.db2.gz MXHJPMAITMOBFR-JOCHJYFZSA-N 0 0 417.473 2.805 40 0 HFABRN Cc1ncsc1C(=O)N1CCO[C@@H](c2cc(C(=O)N(C)C)c3ccccc3n2)C1 ZINC000072352727 527478630 /nfs/dbraw/zinc/47/86/30/527478630.db2.gz IVSXEZXMKGBZJK-GOSISDBHSA-N 0 0 410.499 2.915 40 0 HFABRN Cc1ncsc1CN1C(=O)CO[C@H](c2ccc(NC(=O)C3CCC3)cc2)[C@H]1CO ZINC000072321212 527500318 /nfs/dbraw/zinc/50/03/18/527500318.db2.gz SCBKIKHFOGPBOI-YLJYHZDGSA-N 0 0 415.515 2.651 40 0 biogenic,in-vitro HFABRN C[C@@H]1Cc2ccccc2N1C(=O)CSc1nnnn1-c1ccc2c(c1)OCCO2 ZINC000000932496 557120213 /nfs/dbraw/zinc/12/02/13/557120213.db2.gz ANPDPFTYZFBREO-CYBMUJFWSA-N 0 0 409.471 2.503 40 0 aggregator HFABRN COc1ccc(CCNC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000001341957 557256611 /nfs/dbraw/zinc/25/66/11/557256611.db2.gz PAZPTICJDSXPOQ-LJQANCHMSA-N 0 0 422.934 2.861 40 0 HFABRN COC(=O)c1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)c1 ZINC000001380235 557258404 /nfs/dbraw/zinc/25/84/04/557258404.db2.gz BZUWAUWOPKJYJQ-QGZVFWFLSA-N 0 0 416.499 2.821 40 0 HFABRN CCOC(=O)CC1(C)c2nc(NC(C)=O)sc2Cc2sc(NC(C)=O)nc21 ZINC000001591085 557275007 /nfs/dbraw/zinc/27/50/07/557275007.db2.gz IJKPAIXKAIOBHP-UHFFFAOYSA-N 0 0 408.505 2.680 40 0 HFABRN CCCCNS(=O)(=O)c1ccc(OCC(=O)Nc2cccc(C(C)=O)c2)cc1 ZINC000408526358 557287721 /nfs/dbraw/zinc/28/77/21/557287721.db2.gz AYGOIFMEOMMPJO-UHFFFAOYSA-N 0 0 404.488 2.985 40 0 HFABRN Cn1c2cc(Br)c(NC(=O)C(Cl)(Cl)Cl)cc2n(C)c1=O ZINC000408530077 557297634 /nfs/dbraw/zinc/29/76/34/557297634.db2.gz LAEKXCLCYNRKCO-UHFFFAOYSA-N 0 0 401.475 2.948 40 0 HFABRN O=C(COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)NCc1ccccn1 ZINC000408530328 557298335 /nfs/dbraw/zinc/29/83/35/557298335.db2.gz KFXDFCYSERUTEZ-UHFFFAOYSA-N 0 0 415.446 2.717 40 0 HFABRN CCOc1cc(/C=C2/NC(=O)N(CC(=O)OC)C2=O)cc(Cl)c1O[C@@H](C)CC ZINC000408548256 557370757 /nfs/dbraw/zinc/37/07/57/557370757.db2.gz FGHYYLDYIGFUFS-KYJZABPNSA-N 0 0 410.854 2.982 40 0 HFABRN COc1cc(C)c(/C=C2\NC(=O)N(CC(=O)Nc3ccccc3C)C2=O)cc1OC ZINC000408548365 557371378 /nfs/dbraw/zinc/37/13/78/557371378.db2.gz GXYNOBOAUUUISA-YVLHZVERSA-N 0 0 409.442 2.852 40 0 HFABRN CCOCCCNS(=O)(=O)c1ccc(OC)c(NC(=O)c2ccccc2C)c1 ZINC000408555998 557452375 /nfs/dbraw/zinc/45/23/75/557452375.db2.gz BRLSUBCKVYUHHS-UHFFFAOYSA-N 0 0 406.504 2.961 40 0 HFABRN CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCc3ccccc3)C2)cc1 ZINC000408557171 557453933 /nfs/dbraw/zinc/45/39/33/557453933.db2.gz LTCIHZYHOMRXHK-LJQANCHMSA-N 0 0 416.543 2.845 40 0 HFABRN COC(=O)c1ccc(NC(=O)[C@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)cc1 ZINC000408558841 557456210 /nfs/dbraw/zinc/45/62/10/557456210.db2.gz SPZOQKFCFXNPIK-LBPRGKRZSA-N 0 0 410.879 2.920 40 0 HFABRN C[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NCc1ccc2c(c1)OCO2 ZINC000408562431 557460824 /nfs/dbraw/zinc/46/08/24/557460824.db2.gz ZYFBUSZGCHVMAB-AWEZNQCLSA-N 0 0 412.467 2.552 40 0 HFABRN COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@@H](C)CCc2ccccc2)cc1C ZINC000408585280 557488720 /nfs/dbraw/zinc/48/87/20/557488720.db2.gz YLLTXANBBKRPPE-IRXDYDNUSA-N 0 0 404.532 2.808 40 0 HFABRN COc1ccc(N(CC(=O)N2CCCC2)S(=O)(=O)c2cc(C)ccc2OC)cc1 ZINC000408592861 557506567 /nfs/dbraw/zinc/50/65/67/557506567.db2.gz MEEVXOSSLQDXQB-UHFFFAOYSA-N 0 0 418.515 2.830 40 0 HFABRN COc1ccccc1CNS(=O)(=O)c1ccc(O[C@H](C)C(=O)NCC(C)C)cc1 ZINC000408607086 557519000 /nfs/dbraw/zinc/51/90/00/557519000.db2.gz PZGCBFJCQLXBLB-MRXNPFEDSA-N 0 0 420.531 2.713 40 0 HFABRN O=C(COc1ccc(S(=O)(=O)N2CCCCCC2)cc1)NCCc1ccccc1 ZINC000408602775 557523385 /nfs/dbraw/zinc/52/33/85/557523385.db2.gz IXJSAOFZSPWGFW-UHFFFAOYSA-N 0 0 416.543 2.989 40 0 HFABRN COc1ccc(OC)c(N(CC(=O)Nc2cccc(OC(C)C)c2)S(C)(=O)=O)c1 ZINC000408602956 557523415 /nfs/dbraw/zinc/52/34/15/557523415.db2.gz DISYVHWJQAQDNL-UHFFFAOYSA-N 0 0 422.503 2.896 40 0 HFABRN CCOC(=O)[C@H]1[C@H](c2cccc(Cl)c2Cl)NC(=O)N[C@]1(O)C(F)(F)F ZINC000004183828 557526111 /nfs/dbraw/zinc/52/61/11/557526111.db2.gz QHWQRSRLVPZOAH-DFAYQTQMSA-N 0 0 401.168 2.778 40 0 HFABRN 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558336497 /nfs/dbraw/zinc/33/64/97/558336497.db2.gz VGVUWTJSUBPMPV-HNNXBMFYSA-N 0 0 411.483 2.952 40 0 HFABRN C[C@@H](C(=O)N(C)c1nc2c(s1)CCc1c-2cnn1C)n1ncc2ccccc2c1=O ZINC000012146149 558337520 /nfs/dbraw/zinc/33/75/20/558337520.db2.gz XGBOFEHGMFVQIE-LBPRGKRZSA-N 0 0 420.498 2.576 40 0 HFABRN Cc1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C1CCN(C(=O)c3ccc(=O)n(C)c3)CC1)N2 ZINC000012181497 558342992 /nfs/dbraw/zinc/34/29/92/558342992.db2.gz XPEPWXVVTDEQGG-JKSUJKDBSA-N 0 0 423.439 2.730 40 0 HFABRN COc1ccc(C2(C(=O)N3CCC(n4nnc5ccccc5c4=O)CC3)CC2)cc1 ZINC000012182284 558343461 /nfs/dbraw/zinc/34/34/61/558343461.db2.gz AXVRLALVHWTWEV-UHFFFAOYSA-N 0 0 404.470 2.695 40 0 HFABRN O=C(CCCOc1cccc(F)c1)N1CCc2c(=O)[nH]c(-c3cnccn3)nc2C1 ZINC000012258334 558363134 /nfs/dbraw/zinc/36/31/34/558363134.db2.gz OIWGXFFAEIMHBB-UHFFFAOYSA-N 0 0 409.421 2.522 40 0 HFABRN COCCNC(=O)c1ccc2c(c1)C[C@H](C)N2S(=O)(=O)c1ccc(Cl)cc1 ZINC000020448413 558364029 /nfs/dbraw/zinc/36/40/29/558364029.db2.gz LWALELXRGQKYNF-ZDUSSCGKSA-N 0 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558415536 /nfs/dbraw/zinc/41/55/36/558415536.db2.gz ISZYUAGEEKAYAY-OALUTQOASA-N 0 0 411.433 2.937 40 0 HFABRN CCN(CC)c1sc(S(C)(=O)=O)nc1S(=O)(=O)c1ccc(Cl)cc1 ZINC000020861845 558417903 /nfs/dbraw/zinc/41/79/03/558417903.db2.gz ZDKLHMNPOKZABX-UHFFFAOYSA-N 0 0 408.954 2.879 40 0 HFABRN CCCCn1c(=O)c2c(nc(-n3nc(C)cc3C)n2Cc2ccccc2F)n(C)c1=O ZINC000012516725 558424318 /nfs/dbraw/zinc/42/43/18/558424318.db2.gz JMERCZXWTKNBEW-UHFFFAOYSA-N 0 0 424.480 2.687 40 0 HFABRN COc1ccc(CN(C)C(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)cc1 ZINC000021635343 558443860 /nfs/dbraw/zinc/44/38/60/558443860.db2.gz QISZCMCGKZYNBQ-INIZCTEOSA-N 0 0 408.545 2.816 40 0 HFABRN CN(c1ccc(OCC(=O)N2CCC(Cc3ccccc3)CC2)cc1)S(C)(=O)=O ZINC000022230673 558469255 /nfs/dbraw/zinc/46/92/55/558469255.db2.gz XXYPPMKLTIJUCD-UHFFFAOYSA-N 0 0 416.543 2.943 40 0 HFABRN CCOc1ccc2c(c1)c(=O)c(C(=O)N1CCN(Cc3ccccc3)CC1)cn2C ZINC000022237311 558471048 /nfs/dbraw/zinc/47/10/48/558471048.db2.gz BEFMYXJANXWCKT-UHFFFAOYSA-N 0 0 405.498 2.895 40 0 HFABRN COc1cccc(CCCNC(=O)CN(c2ccc(C)c(C)c2)S(C)(=O)=O)c1 ZINC000022329476 558479392 /nfs/dbraw/zinc/47/93/92/558479392.db2.gz DFCVDPLGRDJGBP-UHFFFAOYSA-N 0 0 404.532 2.827 40 0 HFABRN Cc1ccc(OC[C@@H](C)NC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)cc1 ZINC000022330635 558479862 /nfs/dbraw/zinc/47/98/62/558479862.db2.gz XESHXUYOYCAOLP-OAHLLOKOSA-N 0 0 410.923 2.998 40 0 HFABRN COc1ccc(C)cc1N(CC(=O)N[C@H](C)COc1ccc(C)cc1)S(C)(=O)=O ZINC000022336351 558481290 /nfs/dbraw/zinc/48/12/90/558481290.db2.gz NSBBNNIDRWPAGM-QGZVFWFLSA-N 0 0 420.531 2.662 40 0 HFABRN CCc1ccc(N(CC(=O)NCCCc2ccccc2OC)S(C)(=O)=O)cc1 ZINC000022361643 558483030 /nfs/dbraw/zinc/48/30/30/558483030.db2.gz KUHPBXBGOGEHHO-UHFFFAOYSA-N 0 0 404.532 2.773 40 0 HFABRN CCOc1ccc(CCCNC(=O)CN(c2ccccc2OC)S(C)(=O)=O)cc1 ZINC000022362648 558483256 /nfs/dbraw/zinc/48/32/56/558483256.db2.gz UKFMFOSKDNWSPL-UHFFFAOYSA-N 0 0 420.531 2.609 40 0 HFABRN COc1cc(CNC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)ccc1OC(C)C ZINC000022363189 558483302 /nfs/dbraw/zinc/48/33/02/558483302.db2.gz SWJGACLFAQMSHH-UHFFFAOYSA-N 0 0 424.494 2.704 40 0 HFABRN CC[C@@H](NC(=O)CN(c1cccc(F)c1)S(C)(=O)=O)c1ccc(OC)c(OC)c1 ZINC000022363508 558483514 /nfs/dbraw/zinc/48/35/14/558483514.db2.gz AERXOQQKDQCIKZ-QGZVFWFLSA-N 0 0 424.494 2.876 40 0 HFABRN Cc1ccc(OC[C@H](C)NC(=O)CN(c2ccc(F)c(F)c2)S(C)(=O)=O)cc1 ZINC000022373274 558484081 /nfs/dbraw/zinc/48/40/81/558484081.db2.gz IALUADKGSPUESF-AWEZNQCLSA-N 0 0 412.458 2.623 40 0 HFABRN CCOc1cccc(N(CC(=O)N[C@H](C)COc2ccccc2C)S(C)(=O)=O)c1 ZINC000022425697 558488847 /nfs/dbraw/zinc/48/88/47/558488847.db2.gz IHABRMWTEGDAKE-QGZVFWFLSA-N 0 0 420.531 2.743 40 0 HFABRN Cc1ccc(N(CC(=O)NCc2ccc(-n3ccnc3)cc2)S(C)(=O)=O)c(C)c1 ZINC000022510798 558492887 /nfs/dbraw/zinc/49/28/87/558492887.db2.gz ZCPQVPJVHSTVSU-UHFFFAOYSA-N 0 0 412.515 2.572 40 0 HFABRN Cc1ccc(C)c(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCC(C)CC4)[nH]c(=O)c32)c1 ZINC000022610331 558501710 /nfs/dbraw/zinc/50/17/10/558501710.db2.gz GUZPOCOIYCNRBY-HNNXBMFYSA-N 0 0 409.490 2.688 40 0 HFABRN COc1ccc([C@@H]2[C@@H](C(=O)OC(C)C)C(=O)C[C@@](C)(O)[C@@H]2C(=O)OC(C)C)cc1 ZINC000013372557 558530962 /nfs/dbraw/zinc/53/09/62/558530962.db2.gz IMKXAEVDHUDFDQ-MDPIYQRISA-N 0 0 406.475 2.638 40 0 HFABRN CC[C@H](Sc1ncnc2[nH]cnc21)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000013572034 558542378 /nfs/dbraw/zinc/54/23/78/558542378.db2.gz IBPWTKVCNCTKJU-AWEZNQCLSA-N 0 0 423.502 2.660 40 0 HFABRN CCOc1ccc(NC(=O)c2cc(OC)c(OC)cc2N(C)S(C)(=O)=O)cc1 ZINC000013582630 558545328 /nfs/dbraw/zinc/54/53/28/558545328.db2.gz PUNIQRFGZAGXNT-UHFFFAOYSA-N 0 0 408.476 2.751 40 0 HFABRN Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)Oc3cccc(C)c3)CC2)cc1 ZINC000013646072 558556663 /nfs/dbraw/zinc/55/66/63/558556663.db2.gz XQRGKCSTQWGMIO-GOSISDBHSA-N 0 0 402.516 2.604 40 0 HFABRN COc1ccc(N(CCCC(=O)NCc2ccco2)S(C)(=O)=O)cc1Cl ZINC000013676852 558564921 /nfs/dbraw/zinc/56/49/21/558564921.db2.gz SORSTKPKUHKIHI-UHFFFAOYSA-N 0 0 400.884 2.804 40 0 HFABRN Cc1ccc(S(=O)(=O)N(C)CC(=O)NCCSCc2cccc(C)c2)cc1 ZINC000013688611 558571196 /nfs/dbraw/zinc/57/11/96/558571196.db2.gz RESWXCIHZBCDEI-UHFFFAOYSA-N 0 0 406.573 2.974 40 0 HFABRN CC[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000013713530 558577377 /nfs/dbraw/zinc/57/73/77/558577377.db2.gz HVQBDZKNJWPYKM-KRWDZBQOSA-N 0 0 404.488 2.950 40 0 HFABRN CC[C@@H](C(=O)NCc1ccc2c(c1)OCO2)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000013713660 558577613 /nfs/dbraw/zinc/57/76/13/558577613.db2.gz VMZGDQFQIZVRNV-KRWDZBQOSA-N 0 0 404.488 2.585 40 0 HFABRN CN(CC(=O)Nc1cccc(N2CCCC2=O)c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000024289613 558594244 /nfs/dbraw/zinc/59/42/44/558594244.db2.gz MOOPBYFENLSNND-UHFFFAOYSA-N 0 0 421.906 2.726 40 0 HFABRN COc1ccc(C(=O)Nc2cc(Cl)ccc2C)cc1S(=O)(=O)N1CCOCC1 ZINC000014291867 558651898 /nfs/dbraw/zinc/65/18/98/558651898.db2.gz HEPHTOVIWZCHQF-UHFFFAOYSA-N 0 0 424.906 2.930 40 0 HFABRN COc1ccc(Cl)cc1NC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1 ZINC000014463174 558654868 /nfs/dbraw/zinc/65/48/68/558654868.db2.gz NTQHURYHPPTCPS-UHFFFAOYSA-N 0 0 423.922 2.537 40 0 HFABRN COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(N3CCOCC3)cc2)c1 ZINC000026528223 558662276 /nfs/dbraw/zinc/66/22/76/558662276.db2.gz CUEHPZJIZQXXPZ-UHFFFAOYSA-N 0 0 410.879 2.764 40 0 HFABRN CCOC(=O)c1ccccc1NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000014908745 558679077 /nfs/dbraw/zinc/67/90/77/558679077.db2.gz GXLRJOIYVQPVNN-UHFFFAOYSA-N 0 0 416.499 2.903 40 0 HFABRN COc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1Cl ZINC000030326914 558728887 /nfs/dbraw/zinc/72/88/87/558728887.db2.gz BFNBXJMJZYXUBG-NSHDSACASA-N 0 0 403.909 2.792 40 0 HFABRN CC(C)NC(=O)C1CCN(S(=O)(=O)Cc2cccc(Br)c2)CC1 ZINC000030752017 558736266 /nfs/dbraw/zinc/73/62/66/558736266.db2.gz GONVOADOZNKVFA-UHFFFAOYSA-N 0 0 403.342 2.516 40 0 HFABRN CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc(C(=O)OC)cc2)ccc1OC ZINC000015420012 558739570 /nfs/dbraw/zinc/73/95/70/558739570.db2.gz LVDDVFFSTPNNHP-UHFFFAOYSA-N 0 0 420.487 2.765 40 0 HFABRN C[C@@H](CCc1ccccc1)NC(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C ZINC000030851734 558740119 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/nfs/dbraw/zinc/81/40/32/558814032.db2.gz VGJORAQHWFALJI-UHFFFAOYSA-N 0 0 422.934 2.774 40 0 HFABRN CCc1ccccc1O[C@H](C)C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000038753934 558814157 /nfs/dbraw/zinc/81/41/57/558814157.db2.gz GZPCIEWPDYROEH-OAHLLOKOSA-N 0 0 402.516 2.856 40 0 HFABRN Cc1ccc([C@H](NC(=O)C2CCN(S(=O)(=O)N(C)C)CC2)c2ccccc2)cc1 ZINC000038772629 558815484 /nfs/dbraw/zinc/81/54/84/558815484.db2.gz PBHGKQLDNQBQNS-OAQYLSRUSA-N 0 0 415.559 2.719 40 0 HFABRN Cc1cccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4[C@H](C)CCC[C@@H]4C)[nH]c(=O)c32)c1 ZINC000038828462 558815981 /nfs/dbraw/zinc/81/59/81/558815981.db2.gz BNRHNBQNTNTPIL-IJEWVQPXSA-N 0 0 409.490 2.910 40 0 HFABRN C[C@@H]1CCC[C@@H](C)N1c1nc2c(c(=O)[nH]1)[C@@H](C(=O)Nc1ccc(F)cc1)CC(=O)N2 ZINC000038828401 558815984 /nfs/dbraw/zinc/81/59/84/558815984.db2.gz JTBRACIVZACWGG-JMSVASOKSA-N 0 0 413.453 2.741 40 0 HFABRN COc1ccc(N2CN(CCO)Cn3c(=O)c(Cc4ccccc4)c(C)nc32)cc1 ZINC000038829963 558816344 /nfs/dbraw/zinc/81/63/44/558816344.db2.gz 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C[C@@H]1CN(c2nc3c(c(=O)[nH]2)CCN(Cc2ccc4ncccc4c2)C3)C[C@H](C)O1 ZINC000019497598 558896456 /nfs/dbraw/zinc/89/64/56/558896456.db2.gz AAIDJZBTZTVBNF-IYBDPMFKSA-N 0 0 405.502 2.902 40 0 HFABRN CCC(=O)N1CCc2c(nc([C@@H]3CCCCN3C(=O)CCc3ccccc3)[nH]c2=O)C1 ZINC000019499103 558897293 /nfs/dbraw/zinc/89/72/93/558897293.db2.gz ZWFBJEOHVCTWNX-FQEVSTJZSA-N 0 0 422.529 2.751 40 0 HFABRN CCCC(=O)N1CCC[C@H](c2nc3c(c(=O)[nH]2)CN(C(=O)c2cccs2)CC3)C1 ZINC000019501317 558899249 /nfs/dbraw/zinc/89/92/49/558899249.db2.gz HPYLINVKCUCJJV-AWEZNQCLSA-N 0 0 414.531 2.536 40 0 HFABRN CCCN(C(=O)c1n[nH]c(=O)c2ccccc21)c1nc2c(s1)CCc1c-2cnn1C ZINC000019502495 558900095 /nfs/dbraw/zinc/90/00/95/558900095.db2.gz STEHUZLXRRMNQM-UHFFFAOYSA-N 0 0 420.498 2.936 40 0 HFABRN CCc1nn(C)c(C(=O)N[C@@H](Cc2cc(=O)[nH]c(C3CC3)n2)c2ccccc2)c1C ZINC000019521039 558902447 /nfs/dbraw/zinc/90/24/47/558902447.db2.gz CDNYKIRYZCMLKK-IBGZPJMESA-N 0 0 405.502 2.965 40 0 HFABRN CCc1onc(C)c1C(=O)N1CCC[C@H](C2=NS(=O)(=O)c3ccccc3N2)C1 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Cc1cc(C)n(CCCC(=O)N2CC[C@H](C(=O)c3cnn(-c4ccccc4)c3N)C2)n1 ZINC000019573982 558931806 /nfs/dbraw/zinc/93/18/06/558931806.db2.gz GJISHMSJVFZUBY-SFHVURJKSA-N 0 0 420.517 2.779 40 0 HFABRN COc1cc(CCC(=O)N2CCC[C@@H]2c2nc(C)c(Cc3ccccc3)c(=O)[nH]2)on1 ZINC000019579239 558934937 /nfs/dbraw/zinc/93/49/37/558934937.db2.gz VBBKOJCCYCTEBU-LJQANCHMSA-N 0 0 422.485 2.962 40 0 HFABRN COc1nc(C)c(CC(=O)N[C@H]2CC3(CCOCC3)Oc3ccccc32)c(OC)n1 ZINC000019579482 558935093 /nfs/dbraw/zinc/93/50/93/558935093.db2.gz JEHNFNGMMXBJMN-KRWDZBQOSA-N 0 0 413.474 2.534 40 0 HFABRN CCOC(=O)[C@@H]1CN(Cc2ccc(OCC)cc2)C[C@]12COc1ccccc1C(=O)N2 ZINC000072334318 558935397 /nfs/dbraw/zinc/93/53/97/558935397.db2.gz VLVBQVVYMWIDMD-RDPSFJRHSA-N 0 0 424.497 2.641 40 0 HFABRN CN(C)C(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CN(C(=O)C2CCC2)CCO1 ZINC000019580573 558936220 /nfs/dbraw/zinc/93/62/20/558936220.db2.gz UPFXLQLQLGZOIV-XMMPIXPASA-N 0 0 407.514 2.777 40 0 HFABRN COc1ccc(/C=C/CN2CCc3c(=O)[nH]c(N4C[C@H](C)O[C@@H](C)C4)nc3C2)cc1 ZINC000072335687 558936902 /nfs/dbraw/zinc/93/69/02/558936902.db2.gz BYOLZAXNZSWWLA-XLYSIVADSA-N 0 0 410.518 2.876 40 0 HFABRN C[C@H]1CCCCN1C(=O)CN1c2c(cnn2-c2ccccc2)C2=NCCCN2C1=O ZINC000072335754 558936959 /nfs/dbraw/zinc/93/69/59/558936959.db2.gz UBRDFFXLMSMVAX-INIZCTEOSA-N 0 0 406.490 2.666 40 0 HFABRN Cc1nc2c(c(=O)[nH]1)CC[C@@H]1CN(C(=O)c3cncn3[C@H](C)c3ccccc3)C[C@H]21 ZINC000072336095 558937178 /nfs/dbraw/zinc/93/71/78/558937178.db2.gz LEPHOEDKBTXFEN-BJZITVGISA-N 0 0 403.486 2.686 40 0 HFABRN COc1ccc2c(c1)O[C@]1(C[C@H]3CC[C@@H]1C[C@@H]3C(=O)NCCc1ccco1)NC2=O ZINC000072339251 558938595 /nfs/dbraw/zinc/93/85/95/558938595.db2.gz PYEHXLZBNBHABN-CPMLIZHXSA-N 0 0 410.470 2.902 40 0 HFABRN CN(C)c1cc(CNC(=O)C2(c3ccccc3)CCOCC2)nc(-c2ccncc2)n1 ZINC000019584620 558938672 /nfs/dbraw/zinc/93/86/72/558938672.db2.gz MEXPHVSZSRVIMA-UHFFFAOYSA-N 0 0 417.513 2.969 40 0 HFABRN CN(C)c1ncc(CN2CCC([C@H](NC(=O)C3CCC3)c3ccccn3)CC2)cn1 ZINC000019585495 558939037 /nfs/dbraw/zinc/93/90/37/558939037.db2.gz XMARLVJMANKHIO-NRFANRHFSA-N 0 0 408.550 2.807 40 0 HFABRN CNC(=O)[C@]1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)c2cnccn2)C1 ZINC000019591641 558942203 /nfs/dbraw/zinc/94/22/03/558942203.db2.gz QBWYHGURVGJHOY-DEOSSOPVSA-N 0 0 400.482 2.965 40 0 HFABRN CNC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCN(C(=O)c2ccccn2)C1 ZINC000019591620 558942293 /nfs/dbraw/zinc/94/22/93/558942293.db2.gz HRQMRRDTEJHDSH-XMMPIXPASA-N 0 0 400.482 2.965 40 0 HFABRN CNC(=O)[C@@]1(Cc2cccc(-c3ccncc3)c2)CN(C(=O)C2CCCC2)CCO1 ZINC000019591794 558942441 /nfs/dbraw/zinc/94/24/41/558942441.db2.gz LMQBNQOKFUKLKW-XMMPIXPASA-N 0 0 407.514 2.825 40 0 HFABRN COCc1ccc(C(=O)N2CCC[C@@H](C3=NS(=O)(=O)c4ccccc4N3)C2)cc1 ZINC000019594404 558945410 /nfs/dbraw/zinc/94/54/10/558945410.db2.gz CHPKXRNEZHHNOE-QGZVFWFLSA-N 0 0 413.499 2.898 40 0 HFABRN Cc1nc(N)c2c(C(F)(F)F)cc([C@H]3CCCN(C(=O)Cn4ccnc4)C3)nc2n1 ZINC000072350864 558947622 /nfs/dbraw/zinc/94/76/22/558947622.db2.gz MVIYKNJXEGVDQH-LBPRGKRZSA-N 0 0 419.411 2.537 40 0 HFABRN CN(C)C(=O)c1sc2ccccc2c1[C@@H]1CCN(S(=O)(=O)N2CCCC2)C1 ZINC000072352226 558948284 /nfs/dbraw/zinc/94/82/84/558948284.db2.gz LXARQLFTKBQGDS-CQSZACIVSA-N 0 0 407.561 2.733 40 0 HFABRN CC(C)CNC(=O)c1cc([C@H]2CN(C(=O)c3cnn(C)c3)CCO2)nc2ccccc21 ZINC000072352683 558949168 /nfs/dbraw/zinc/94/91/68/558949168.db2.gz DIHJDQSQFZMAKS-OAQYLSRUSA-N 0 0 421.501 2.568 40 0 HFABRN CCc1nc2nc(-c3ccc(NC(=O)[C@H](C)N4CCCC4=O)cc3)cn2nc1CC ZINC000019656895 558949380 /nfs/dbraw/zinc/94/93/80/558949380.db2.gz FZYSWQNFNJSVIX-AWEZNQCLSA-N 0 0 406.490 2.866 40 0 HFABRN O=C(Nc1cccc(N2CCCCS2(=O)=O)c1)c1ccc(N2CCOCC2)cc1 ZINC000019660148 558951411 /nfs/dbraw/zinc/95/14/11/558951411.db2.gz WTACLCVHABVWLR-UHFFFAOYSA-N 0 0 415.515 2.706 40 0 HFABRN CC(=O)NC1CCN(C(=O)c2sc3ccccc3c2[C@@H]2CN(C)CCO2)CC1 ZINC000072356322 558953151 /nfs/dbraw/zinc/95/31/51/558953151.db2.gz OVHKCWOKRYCSLV-KRWDZBQOSA-N 0 0 401.532 2.645 40 0 HFABRN COc1cccc(CN2CC=CC[C@H](C3CCN(C(=O)c4ccnn4C)CC3)C2=O)c1 ZINC000072371068 558957607 /nfs/dbraw/zinc/95/76/07/558957607.db2.gz MZNRDBUBBJRWTE-OAQYLSRUSA-N 0 0 422.529 2.886 40 0 HFABRN COc1ccc(OCCc2cc([C@@H]3CCN(C(=O)c4cnc(C)cn4)C3)[nH]n2)cc1 ZINC000072371414 558958223 /nfs/dbraw/zinc/95/82/23/558958223.db2.gz IMKGHHNCMVSKRQ-MRXNPFEDSA-N 0 0 407.474 2.768 40 0 HFABRN COCC(=O)N1CCCC[C@@H]1c1nc2c(c(C)n1)CC(=O)N2Cc1ccc(F)cc1 ZINC000072371855 558959224 /nfs/dbraw/zinc/95/92/24/558959224.db2.gz PMBCVSVRMBHCMP-GOSISDBHSA-N 0 0 412.465 2.713 40 0 HFABRN Cc1nonc1CC(=O)N1CCC[C@@H](c2nc(N(C)C)ncc2-c2ccc(F)cc2)C1 ZINC000019693892 558961872 /nfs/dbraw/zinc/96/18/72/558961872.db2.gz ONSVWBYFWVXZIB-MRXNPFEDSA-N 0 0 424.480 2.989 40 0 HFABRN Cc1cccc(C(=O)[C@@](Br)(I)S(C)(=O)=O)c1 ZINC000096518530 558963336 /nfs/dbraw/zinc/96/33/36/558963336.db2.gz LJWVAYNHYYXHNE-SNVBAGLBSA-N 0 0 417.062 2.706 40 0 HFABRN COCC(=O)N1CCC[C@H]1c1nc(C)c2c(n1)N(Cc1cccc(F)c1)C(=O)CC2 ZINC000019696198 558964515 /nfs/dbraw/zinc/96/45/15/558964515.db2.gz QKJSLVOEMIKUBZ-SFHVURJKSA-N 0 0 412.465 2.713 40 0 HFABRN Cn1cnc(S(=O)(=O)N2CCCC[C@@H]2c2nc(N)ncc2-c2ccc(F)cc2)c1 ZINC000072377245 558966474 /nfs/dbraw/zinc/96/64/74/558966474.db2.gz PQAQLKQCAKWCBJ-MRXNPFEDSA-N 0 0 416.482 2.514 40 0 HFABRN COc1cccc(CNC(=O)c2cc3c(nc2N)CCN(C(=O)[C@H]2CC24CCC4)C3)c1 ZINC000019701111 558967337 /nfs/dbraw/zinc/96/73/37/558967337.db2.gz QHILEXXLDSAXDN-LJQANCHMSA-N 0 0 420.513 2.677 40 0 HFABRN CC(C)(C)OC(=O)N1CCn2c(nnc2[C@@H]2CCCN2C(=O)Cc2ccccc2)C1 ZINC000019707070 558969292 /nfs/dbraw/zinc/96/92/92/558969292.db2.gz SLJAZOKTCCMJHJ-KRWDZBQOSA-N 0 0 411.506 2.935 40 0 HFABRN CNC(=O)[C@@]1(Cc2cccc(-c3ccc(C)cc3)c2)CN(C(=O)[C@@H]2CCCO2)CCO1 ZINC000072389138 558969543 /nfs/dbraw/zinc/96/95/43/558969543.db2.gz FPNLPLAEFACOQC-WIOPSUGQSA-N 0 0 422.525 2.727 40 0 HFABRN CNC(=O)c1ccc([C@@H]2CCCN2C(=O)CCc2cc(OC(C)C)no2)nc1C ZINC000019711197 558973362 /nfs/dbraw/zinc/97/33/62/558973362.db2.gz CWTDXKZCVPNQOF-SFHVURJKSA-N 0 0 400.479 2.821 40 0 HFABRN COc1cc(CCC(=O)N2CCC[C@@H](c3nnsc3-c3cc(C)no3)C2)on1 ZINC000072396724 558975594 /nfs/dbraw/zinc/97/55/94/558975594.db2.gz CPAIBUVMVPFBED-GFCCVEGCSA-N 0 0 403.464 2.837 40 0 HFABRN FC(F)(F)c1ccccc1N1CCN(Cc2ccnc(N3CCOCC3)n2)CC1 ZINC000019715647 558976765 /nfs/dbraw/zinc/97/67/65/558976765.db2.gz LHITUUGMBZWNRM-UHFFFAOYSA-N 0 0 407.440 2.654 40 0 HFABRN CC(C)Oc1cc(CCC(=O)NC[C@H]2CC[C@H](c3ccnc4ncnn43)CC2)on1 ZINC000257303074 559009826 /nfs/dbraw/zinc/00/98/26/559009826.db2.gz SFRBWWSRWYMUJJ-WKILWMFISA-N 0 0 412.494 2.922 40 0 HFABRN O=C(C[C@@H]1CN(C(=O)c2cc3ccccc3[nH]2)Cc2ccnn21)NCc1ccco1 ZINC000585095703 559023279 /nfs/dbraw/zinc/02/32/79/559023279.db2.gz DCAJUHUKWRRHPY-QGZVFWFLSA-N 0 0 403.442 2.861 40 0 HFABRN C[C@@H]1c2nc(CC(=O)N3CC=CC3)cn2CCN1C(=O)c1cn(C)c2ccccc12 ZINC000585098601 559024258 /nfs/dbraw/zinc/02/42/58/559024258.db2.gz VGICSXLRNAYDHD-MRXNPFEDSA-N 0 0 403.486 2.533 40 0 HFABRN COc1cccc2cc(C(=O)N3CCC[C@@]4(CCN4CC(=O)N4CCCC4)C3)oc21 ZINC000585102083 559025254 /nfs/dbraw/zinc/02/52/54/559025254.db2.gz QKIGCNRKUNAMNB-HSZRJFAPSA-N 0 0 411.502 2.744 40 0 HFABRN COc1ccc(CN2CCOC[C@]3(CC(=O)N(Cc4cncs4)C3)C2)c(F)c1 ZINC000585103336 559026564 /nfs/dbraw/zinc/02/65/64/559026564.db2.gz CBOOFAVOSMRBGU-HXUWFJFHSA-N 0 0 405.495 2.542 40 0 HFABRN COC(=O)[C@H]1CCCN1C[C@@H]1CC2(CO1)CCN(C(=O)c1cccc(C)c1)CC2 ZINC000585103162 559026567 /nfs/dbraw/zinc/02/65/67/559026567.db2.gz DZEKBMPSTNKACA-VQTJNVASSA-N 0 0 400.519 2.644 40 0 HFABRN CCC[C@H](c1nnnn1CS(=O)(=O)c1ccc(C)cc1)N1CCC(C(N)=O)CC1 ZINC000082055950 559036355 /nfs/dbraw/zinc/03/63/55/559036355.db2.gz XCXCMPQQWBQWMS-QGZVFWFLSA-N 0 0 420.539 2.501 40 0 HFABRN COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)NCc2ccccc2)c(Cl)c1O ZINC000016606815 559078915 /nfs/dbraw/zinc/07/89/15/559078915.db2.gz TYHYGQQIXHCAAB-KRWDZBQOSA-N 0 0 401.850 2.999 40 0 HFABRN CCN1C[C@]2(CC1=O)CN(Cc1cccnc1)CCN(C(=O)Nc1ccccc1)C2 ZINC000096036262 559089797 /nfs/dbraw/zinc/08/97/97/559089797.db2.gz JLQHWEWZUVLWDR-QHCPKHFHSA-N 0 0 407.518 2.670 40 0 HFABRN COc1cccc(CN2Cc3ccccc3[C@]23CO[C@@H](C(=O)N2CCOCC2)C3)c1 ZINC000096036336 559089956 /nfs/dbraw/zinc/08/99/56/559089956.db2.gz OOYSWKKTNFTAPT-VWNXMTODSA-N 0 0 408.498 2.554 40 0 HFABRN COc1cccc(NC(=O)N2CC[C@]3(C2)CN(c2cccc(F)c2)C(=O)CN3C)c1 ZINC000096050283 559092067 /nfs/dbraw/zinc/09/20/67/559092067.db2.gz OBKHYUPDMOPLTH-QFIPXVFZSA-N 0 0 412.465 2.789 40 0 HFABRN O=C(C[C@H]1CC2(CCN(C(=O)c3cnccn3)CC2)Oc2ccccc21)NCC1CC1 ZINC000096053120 559092934 /nfs/dbraw/zinc/09/29/34/559092934.db2.gz NVQYWZLYBUVCAH-SFHVURJKSA-N 0 0 420.513 2.934 40 0 HFABRN O=C(C[C@H]1CC2(CCN(S(=O)(=O)C3CC3)CC2)Oc2ccccc21)NCC1CC1 ZINC000096053136 559092959 /nfs/dbraw/zinc/09/29/59/559092959.db2.gz BOFUYAJNXPHFTB-KRWDZBQOSA-N 0 0 418.559 2.796 40 0 HFABRN O=C(NCc1cc(=O)n2c(n1)CN(Cc1cccs1)CCC2)c1ccsc1 ZINC000096059646 559094113 /nfs/dbraw/zinc/09/41/13/559094113.db2.gz GOEISAWROGCHOF-UHFFFAOYSA-N 0 0 400.529 2.702 40 0 HFABRN COc1ccc(CC(=O)N2CCc3nc(C(=O)Nc4cccnc4)sc3CC2)cc1 ZINC000096146923 559098147 /nfs/dbraw/zinc/09/81/47/559098147.db2.gz FCMANZLVOZENMQ-UHFFFAOYSA-N 0 0 422.510 2.969 40 0 HFABRN CC(C)n1cnc2c1[C@H](C(=O)NCc1cccnc1)N(C(=O)c1ccccc1)CC2 ZINC000096147276 559098400 /nfs/dbraw/zinc/09/84/00/559098400.db2.gz VMHCYCMHAYKWNO-OAQYLSRUSA-N 0 0 403.486 2.915 40 0 HFABRN CN(C)C(=O)CNC(=O)c1ccn(-c2ccc3ccc(-c4ccc(F)cc4)cn32)n1 ZINC000096155421 559099687 /nfs/dbraw/zinc/09/96/87/559099687.db2.gz QKTZUERWCIVUKN-UHFFFAOYSA-N 0 0 405.433 2.749 40 0 HFABRN Cc1ccccc1C(=O)N1CCC[C@@]2(CC(C(=O)N(C)Cc3ccccn3)=NO2)C1 ZINC000096225243 559102320 /nfs/dbraw/zinc/10/23/20/559102320.db2.gz DWUOQQWEYVWGJS-HSZRJFAPSA-N 0 0 406.486 2.800 40 0 HFABRN CCN1CCN(c2ccc(C)nc2)C(=O)C12CCN(C(=O)Cc1ccsc1)CC2 ZINC000096230364 559103019 /nfs/dbraw/zinc/10/30/19/559103019.db2.gz IPTCILGJSAOJGK-UHFFFAOYSA-N 0 0 412.559 2.724 40 0 HFABRN CN1CC(=O)N(c2ccccc2)C[C@]12CCN(C(=O)c1cnc3ccccc3c1)C2 ZINC000096237777 559103142 /nfs/dbraw/zinc/10/31/42/559103142.db2.gz VZZYAQSNHOQLGB-XMMPIXPASA-N 0 0 400.482 2.798 40 0 HFABRN O=C(Nc1cccc(F)c1)[C@@H]1CN(S(=O)(=O)c2ccccc2)CC12CCOCC2 ZINC000096241066 559103581 /nfs/dbraw/zinc/10/35/81/559103581.db2.gz DIGZDUIDCXQPND-IBGZPJMESA-N 0 0 418.490 2.882 40 0 HFABRN O=C(Nc1cccnc1)[C@H]1CN(C(=O)c2cc(F)cc(F)c2)CC12CCOCC2 ZINC000096241046 559103592 /nfs/dbraw/zinc/10/35/92/559103592.db2.gz LPTJFBXQEYPEFW-GOSISDBHSA-N 0 0 401.413 2.867 40 0 HFABRN Cc1ccccc1C(=O)N1CCC[C@]2(C(=O)N(C)C)CN(c3ccccn3)C[C@@H]2C1 ZINC000096251254 559105306 /nfs/dbraw/zinc/10/53/06/559105306.db2.gz ITODNGNCMIWCDI-CYFREDJKSA-N 0 0 406.530 2.837 40 0 HFABRN Cc1ccc(C(=O)N2CCC[C@]3(C(=O)N(C)C)CN(c4ccccn4)C[C@@H]3C2)cc1 ZINC000096251239 559105316 /nfs/dbraw/zinc/10/53/16/559105316.db2.gz PBZQJZLXKHQAIP-RDPSFJRHSA-N 0 0 406.530 2.837 40 0 HFABRN Cn1c2nc(Br)n(Cc3c(Cl)cccc3Cl)c2c(=O)n(C)c1=O ZINC000096306674 559109283 /nfs/dbraw/zinc/10/92/83/559109283.db2.gz IZNYNCIDMNWGJC-UHFFFAOYSA-N 0 0 418.078 2.551 40 0 HFABRN Cc1ccc(C)c(Cn2c(CN3C[C@H](C)C[C@@H](C)C3)nc3c2c(=O)n(C)c(=O)n3C)c1 ZINC000096306534 559109293 /nfs/dbraw/zinc/10/92/93/559109293.db2.gz JKJDRIBRTFFBGL-IAGOWNOFSA-N 0 0 423.561 2.577 40 0 HFABRN CNC(=O)c1cccc([C@@H]2CN(C(=O)C3(c4ccccc4)CCOCC3)CCN2C)c1 ZINC000585261936 559109539 /nfs/dbraw/zinc/10/95/39/559109539.db2.gz ZUGDENOWOGOZDN-QFIPXVFZSA-N 0 0 421.541 2.610 40 0 HFABRN COC[C@@H](C)NC(=O)CN1CCC(c2cccc(Nc3ncc(C)s3)n2)CC1 ZINC000585262690 559110736 /nfs/dbraw/zinc/11/07/36/559110736.db2.gz SQIIEKKRNFELAR-CQSZACIVSA-N 0 0 403.552 2.921 40 0 HFABRN COc1cccc2cc(C(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)oc21 ZINC000097255058 559116888 /nfs/dbraw/zinc/11/68/88/559116888.db2.gz ZNVCJOOQFVJKDN-UHFFFAOYSA-N 0 0 400.456 2.588 40 0 HFABRN CC(C)n1nccc1CN1CCO[C@@](COc2cccc(Cl)c2)(CC(N)=O)C1 ZINC000585271952 559116914 /nfs/dbraw/zinc/11/69/14/559116914.db2.gz ITQJHPMTTWJGEI-FQEVSTJZSA-N 0 0 406.914 2.643 40 0 HFABRN Cc1ccccc1CC(=O)N1CCO[C@@](COc2ccc(Cl)cc2)(CC(N)=O)C1 ZINC000585284041 559120894 /nfs/dbraw/zinc/12/08/94/559120894.db2.gz GQYUARNVAAGROU-QFIPXVFZSA-N 0 0 416.905 2.743 40 0 HFABRN O=C(NCc1cc(=O)n2nc(-c3ccncc3)cc2[nH]1)C1(c2ccc(F)cc2)CC1 ZINC000100744424 559139523 /nfs/dbraw/zinc/13/95/23/559139523.db2.gz YQAXBJDKNGIXDF-UHFFFAOYSA-N 0 0 403.417 2.984 40 0 HFABRN Cc1ccc2c(c1)C(=O)CC1(CCN(C(=O)C=C3NNC(=O)[C@@H]4C=CC=C[C@H]34)CC1)O2 ZINC000100752703 559139710 /nfs/dbraw/zinc/13/97/10/559139710.db2.gz GQYUTTBHIKJTSB-DLBZAZTESA-N 0 0 419.481 2.556 40 0 HFABRN O=C(NC[C@H]1CC[C@H](C(=O)NCCN2CCc3ccccc32)CC1)C1CCOCC1 ZINC000100766699 559139913 /nfs/dbraw/zinc/13/99/13/559139913.db2.gz WNDVGTTXTSRLMN-PUZFROQSSA-N 0 0 413.562 2.515 40 0 HFABRN CC(C)COC(=O)[C@H]1C(=O)C[C@@](C)(O)[C@H](C(=O)OCC(C)C)[C@@H]1c1cccc(O)c1 ZINC000102808813 559152936 /nfs/dbraw/zinc/15/29/36/559152936.db2.gz ILBYLONDTKJWFO-QTDGGUCWSA-N 0 0 420.502 2.830 40 0 HFABRN COCCCN1C(=O)[C@@H]2[C@H]3C=Cc4ccccc4N3[C@@H](C(=O)c3cccs3)[C@H]2C1=O ZINC000103460687 559155948 /nfs/dbraw/zinc/15/59/48/559155948.db2.gz SUTNMNSFISDCJM-RSPOEFSDSA-N 0 0 422.506 2.853 40 0 HFABRN Cc1cc(C)cc(OCCNC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)c1 ZINC000108895321 559169762 /nfs/dbraw/zinc/16/97/62/559169762.db2.gz OHVCFKGVVHBXDK-UHFFFAOYSA-N 0 0 422.572 2.961 40 0 HFABRN COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCCc1ccccc1 ZINC000047157221 559176842 /nfs/dbraw/zinc/17/68/42/559176842.db2.gz JEPKXYLRPFVGOO-UHFFFAOYSA-N 0 0 402.516 2.842 40 0 HFABRN CCCCNC(=O)C1CCN(S(=O)(=O)Cc2cccc(Br)c2)CC1 ZINC000113949495 559182814 /nfs/dbraw/zinc/18/28/14/559182814.db2.gz HYBMFEMDGJABBD-UHFFFAOYSA-N 0 0 417.369 2.907 40 0 HFABRN COc1ccc(NC(=O)CCCN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1 ZINC000113966284 559184612 /nfs/dbraw/zinc/18/46/12/559184612.db2.gz ILNLXSNDXJTVOJ-UHFFFAOYSA-N 0 0 420.487 2.651 40 0 HFABRN CN(CCO)C(=O)c1cc([C@H]2CCN(C(=O)Cc3ccccc3)C2)nc2ccccc21 ZINC000072356042 559185820 /nfs/dbraw/zinc/18/58/20/559185820.db2.gz SUWZNMHLRMVECS-IBGZPJMESA-N 0 0 417.509 2.858 40 0 HFABRN CCN1Cc2ccccc2OC/C=C\[C@H]2CN(CC[C@H]2CC(=O)NC(C)C)C(=O)C1 ZINC000514287559 559233638 /nfs/dbraw/zinc/23/36/38/559233638.db2.gz LOUXWLRBUJLVGH-UZUFYEDSSA-N 0 0 413.562 2.837 40 0 HFABRN CCOC(=O)c1ccc(NC(=O)CSc2nnnn2-c2cccc(OC)c2)cc1 ZINC000000783278 559279214 /nfs/dbraw/zinc/27/92/14/559279214.db2.gz DOKNAAOBZFKBBX-UHFFFAOYSA-N 0 0 413.459 2.578 40 0 HFABRN CC(=O)NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H](N(C)C(=O)CCc2cccnc2)CC1 ZINC000257287896 559285513 /nfs/dbraw/zinc/28/55/13/559285513.db2.gz PRXKAIBBNZCCJH-VDKIKQQVSA-N 0 0 423.557 2.850 40 0 HFABRN C[C@@]1(O)CCN(C(=O)C2CCOCC2)[C@@H](c2cccs2)[C@@H]1NC(=O)C1CCCC1 ZINC000514288776 560033911 /nfs/dbraw/zinc/03/39/11/560033911.db2.gz BOFUYLCJIVKRRH-CNNODRBYSA-N 0 0 420.575 2.874 40 0 biogenic,in-vitro HFABRN COc1ccc(CN2C(=O)CO[C@H](c3ccc(NC(=O)C4CC4)cc3)[C@H]2CO)cc1 ZINC000072321329 560076519 /nfs/dbraw/zinc/07/65/19/560076519.db2.gz VZPBOFJWZFCYKQ-IFMALSPDSA-N 0 0 410.470 2.505 40 0 biogenic,in-vitro HFABRN Cc1cc(C(=O)Nc2ccc([C@H]3OCC(=O)N(Cc4ccccc4)[C@@H]3CO)cc2)no1 ZINC000072321089 560076942 /nfs/dbraw/zinc/07/69/42/560076942.db2.gz DXAJSACDHBOURQ-IFMALSPDSA-N 0 0 421.453 2.696 40 0 biogenic,in-vitro HFABRN CC(C)C(=O)Nc1ccc([C@H]2OCC(=O)N(Cc3ccc(F)cc3)[C@@H]2CO)cc1 ZINC000072321408 560077667 /nfs/dbraw/zinc/07/76/67/560077667.db2.gz ORXSIMLOHKQKGD-TZIWHRDSSA-N 0 0 400.450 2.881 40 0 biogenic,in-vitro HFABRN COCCNC(=S)N(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C1CCCC1 ZINC000004160514 560601451 /nfs/dbraw/zinc/60/14/51/560601451.db2.gz VLNSAZCZLONSLF-UHFFFAOYSA-N 0 0 417.531 2.565 40 0 HFABRN CCCCOc1ccc(CNC(=O)Cn2nnc(-c3ccc(N(C)C)cc3)n2)cc1 ZINC000004160567 560601579 /nfs/dbraw/zinc/60/15/79/560601579.db2.gz HSPKGFQUZSKSTC-UHFFFAOYSA-N 0 0 408.506 2.901 40 0 HFABRN COc1ccc(NC(=O)C[S@](=O)CC(=O)N[C@H]2CCCc3ccccc32)cc1 ZINC000004388850 560605726 /nfs/dbraw/zinc/60/57/26/560605726.db2.gz PMWHXFMXMCRBNQ-HMILPKGGSA-N 0 0 400.500 2.576 40 0 HFABRN CC(C)(C)NC(=O)CN(Cc1ccccc1)C(=O)CCC(=O)Nc1nccs1 ZINC000004848354 560610044 /nfs/dbraw/zinc/61/00/44/560610044.db2.gz NWUPAXSRZXEGND-UHFFFAOYSA-N 0 0 402.520 2.805 40 0 HFABRN Cc1ccc(NC(=O)N(CCCO)Cc2cc3cc4c(cc3[nH]c2=O)OCO4)cc1 ZINC000004860170 560613064 /nfs/dbraw/zinc/61/30/64/560613064.db2.gz BBXVFABWJRKCFP-UHFFFAOYSA-N 0 0 409.442 2.982 40 0 HFABRN CCOC(=O)[C@]1(CCSC)N[C@H](c2ccc(Cl)cc2)[C@@H]2C(=O)N(CC)C(=O)[C@H]21 ZINC000004885286 560614801 /nfs/dbraw/zinc/61/48/01/560614801.db2.gz MROGXIPUVMLBPY-UIVXKWKOSA-N 0 0 424.950 2.660 40 0 HFABRN COCCN(C(=O)c1csnn1)[C@@H](C(=O)NC(C)(C)C)c1ccc(Cl)cc1 ZINC000004890299 560615270 /nfs/dbraw/zinc/61/52/70/560615270.db2.gz VNJQGAILWGKRDU-OAHLLOKOSA-N 0 0 410.927 2.936 40 0 HFABRN O=C(CN1C(=O)c2ccccc2C1=O)O[C@@H](C(=O)NC1CCCC1)c1ccccc1 ZINC000004966876 560621902 /nfs/dbraw/zinc/62/19/02/560621902.db2.gz BRIONSAGLPRCLK-HXUWFJFHSA-N 0 0 406.438 2.626 40 0 HFABRN CCOc1ccc(-c2csc3nnc(SCC(=O)N4CCOCC4)n23)cc1 ZINC000004967211 560622006 /nfs/dbraw/zinc/62/20/06/560622006.db2.gz HOFOCNNFDFLFPE-UHFFFAOYSA-N 0 0 404.517 2.807 40 0 HFABRN COc1cc(NC(=O)CSc2nnnn2-c2ccc3c(c2)CCC3)cc(OC)c1 ZINC000004968147 560622236 /nfs/dbraw/zinc/62/22/36/560622236.db2.gz YPWFYNOCRWEEQI-UHFFFAOYSA-N 0 0 411.487 2.899 40 0 HFABRN CCOC(=O)CNC(=O)CSc1nccc(-c2ccc(Br)cc2)n1 ZINC000004967969 560622258 /nfs/dbraw/zinc/62/22/58/560622258.db2.gz LSYKPTULUNBHLJ-UHFFFAOYSA-N 0 0 410.293 2.678 40 0 HFABRN CC1=CN2C(=NC(=O)C[C@]2(C)C(=O)N(CC(=O)NC(C)(C)C)C2CCCCC2)C=C1 ZINC000004968418 560622389 /nfs/dbraw/zinc/62/23/89/560622389.db2.gz XZNJGGPPCJKPMD-HSZRJFAPSA-N 0 0 414.550 2.926 40 0 HFABRN CCN(C(=O)Cn1c2ccsc2c(=O)n(Cc2ccco2)c1=O)c1ccccc1 ZINC000006678717 560632953 /nfs/dbraw/zinc/63/29/53/560632953.db2.gz PDVCPUWIXKRLBB-UHFFFAOYSA-N 0 0 409.467 2.919 40 0 HFABRN COCCCn1c(=O)c2sccc2n(CC(=O)Nc2c(C)cccc2C)c1=O ZINC000006679238 560633453 /nfs/dbraw/zinc/63/34/53/560633453.db2.gz PQDNRHYLBYPRRP-UHFFFAOYSA-N 0 0 401.488 2.517 40 0 HFABRN CC1CCN(C(=O)Cn2c3ccsc3c(=O)n(Cc3ccc(F)cc3)c2=O)CC1 ZINC000006679315 560633495 /nfs/dbraw/zinc/63/34/95/560633495.db2.gz PXQSEWGASMZXJY-UHFFFAOYSA-N 0 0 415.490 2.671 40 0 HFABRN O=C(Cn1c2ccsc2c(=O)n(CCc2ccccc2)c1=O)NCc1ccccc1 ZINC000006679367 560633505 /nfs/dbraw/zinc/63/35/05/560633505.db2.gz JAZMNYSLRTULPL-UHFFFAOYSA-N 0 0 419.506 2.784 40 0 HFABRN C[C@H]1CCCCN1C(=O)Cn1c2ccsc2c(=O)n(Cc2ccc(F)cc2)c1=O ZINC000006679337 560633534 /nfs/dbraw/zinc/63/35/34/560633534.db2.gz DDIAVTCZMCZEIU-AWEZNQCLSA-N 0 0 415.490 2.813 40 0 HFABRN CCc1nnc(NC(=O)c2cc(S(=O)(=O)N3CCC[C@H](C)C3)cs2)s1 ZINC000006680876 560633927 /nfs/dbraw/zinc/63/39/27/560633927.db2.gz ITIPUPZTWDOFTF-JTQLQIEISA-N 0 0 400.551 2.835 40 0 HFABRN COCCCNC(=O)CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 ZINC000409003426 560664943 /nfs/dbraw/zinc/66/49/43/560664943.db2.gz GALNKKNZFRZWNA-UHFFFAOYSA-N 0 0 410.923 2.684 40 0 HFABRN Cc1ccc(N(CC(=O)Nc2ccccc2C(=O)N2CCCC2)S(C)(=O)=O)cc1 ZINC000409027490 560668209 /nfs/dbraw/zinc/66/82/09/560668209.db2.gz IXZJUVHTVSATCF-UHFFFAOYSA-N 0 0 415.515 2.636 40 0 HFABRN CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(=O)/c(=C/c3ccccc3)sc2=N1 ZINC000409048990 560669847 /nfs/dbraw/zinc/66/98/47/560669847.db2.gz PQGXCOPWCYGSHH-BKHFDQEPSA-N 0 0 404.491 2.798 40 0 HFABRN CC(C)CNC(=O)c1ccccc1NC(=O)CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000409115198 560680201 /nfs/dbraw/zinc/68/02/01/560680201.db2.gz JJIDBSMYEXISTN-UHFFFAOYSA-N 0 0 421.494 2.616 40 0 HFABRN O=C(CNS(=O)(=O)c1ccc(Br)cc1)NCc1ccc(Cl)cc1 ZINC000409128166 560681345 /nfs/dbraw/zinc/68/13/45/560681345.db2.gz IPUFFSQSOOETNS-UHFFFAOYSA-N 0 0 417.712 2.697 40 0 HFABRN CCn1c(SCC(=O)Nc2ccccn2)nnc1[C@@H](C)NC(=O)c1ccccc1 ZINC000409140758 560683408 /nfs/dbraw/zinc/68/34/08/560683408.db2.gz IKRKPPNWCPSSSV-CQSZACIVSA-N 0 0 410.503 2.915 40 0 HFABRN CCc1cccc2c(C=C3SC(=O)NC3=O)cn(CC(=O)NC[C@H]3CCCO3)c21 ZINC000409147449 560683604 /nfs/dbraw/zinc/68/36/04/560683604.db2.gz WSAQAAKINTZCHG-GESOSKEOSA-N 0 0 413.499 2.823 40 0 HFABRN Cc1cccc(NC(=O)CSc2nnc(CNC(=O)Cc3ccccc3)n2C)c1 ZINC000409153842 560685141 /nfs/dbraw/zinc/68/51/41/560685141.db2.gz NTBWKVDHNTVOJE-UHFFFAOYSA-N 0 0 409.515 2.713 40 0 HFABRN CC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(OC)cc2OC)cc1 ZINC000409207405 560691340 /nfs/dbraw/zinc/69/13/40/560691340.db2.gz UIYAUEINVMZTSU-CQSZACIVSA-N 0 0 422.503 2.798 40 0 HFABRN COc1ccc(NC(=O)COc2ccc(S(=O)(=O)NCC(C)C)cc2)c(OC)c1 ZINC000409201892 560693148 /nfs/dbraw/zinc/69/31/48/560693148.db2.gz QXIUUSHVIPJIMI-UHFFFAOYSA-N 0 0 422.503 2.656 40 0 HFABRN COc1ccc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c(OC)c1C ZINC000409203167 560693709 /nfs/dbraw/zinc/69/37/09/560693709.db2.gz WLAQJCNEALZLCQ-MHWRWJLKSA-N 0 0 413.405 2.683 40 0 HFABRN COc1cc(C(=S)N2CCN(C)CC2)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409241866 560702484 /nfs/dbraw/zinc/70/24/84/560702484.db2.gz PAJIZBRPFDYSKK-UHFFFAOYSA-N 0 0 413.543 2.944 40 0 HFABRN CCOCCCNC(=O)CN(c1ccc(OCc2ccccc2)cc1)S(C)(=O)=O ZINC000409411851 560721764 /nfs/dbraw/zinc/72/17/64/560721764.db2.gz MFPFSYAHHAOUHJ-UHFFFAOYSA-N 0 0 420.531 2.574 40 0 HFABRN Cc1ccc(CN(CC(=O)NC[C@H]2CCCO2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000000916038 560726597 /nfs/dbraw/zinc/72/65/97/560726597.db2.gz VCRBRZFBBQOMOB-HXUWFJFHSA-N 0 0 416.543 2.790 40 0 HFABRN Cc1ccc(S(=O)(=O)N2CCN(C(=O)CSCc3ccccc3)CC2)cc1 ZINC000003517558 560733800 /nfs/dbraw/zinc/73/38/00/560733800.db2.gz WLIPJEATTSJQGO-UHFFFAOYSA-N 0 0 404.557 2.761 40 0 HFABRN Cc1ccc(NC(=O)N[C@@H]2CCCC[C@@H]2O)cc1NC(=O)N[C@@H]1CCCC[C@@H]1O ZINC000005547294 560738049 /nfs/dbraw/zinc/73/80/49/560738049.db2.gz HPNWSIUXORYUPO-FPAYPSAMSA-N 0 0 404.511 2.845 40 0 HFABRN COc1ccc(CCNC(=O)[C@@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 ZINC000006266978 560740786 /nfs/dbraw/zinc/74/07/86/560740786.db2.gz RSMFPYAZFGEHNB-CQSZACIVSA-N 0 0 410.923 2.862 40 0 HFABRN CC(=O)Nc1ccc(NC(=O)CN(c2ccc(F)c(Cl)c2)S(C)(=O)=O)cc1 ZINC000006363426 560741400 /nfs/dbraw/zinc/74/14/00/560741400.db2.gz YKTYSTLWAWRWTL-UHFFFAOYSA-N 0 0 413.858 2.842 40 0 HFABRN O=C1N=C(SCc2ccccc2F)NN2C1=c1ccccc1=NC21CCCCC1 ZINC000588225942 560742970 /nfs/dbraw/zinc/74/29/70/560742970.db2.gz AXBVCRAHOGWBAM-UHFFFAOYSA-N 0 0 408.502 2.864 40 0 HFABRN CCOc1ccc(N([C@H](C)C(=O)Nc2ccc(C(=O)OC)cc2)S(C)(=O)=O)cc1 ZINC000006962897 560748798 /nfs/dbraw/zinc/74/87/98/560748798.db2.gz SMYXRLLVNMVPKI-CQSZACIVSA-N 0 0 420.487 2.665 40 0 HFABRN CCOc1ccc(N([C@@H](C)C(=O)Nc2ccc(C(=O)OC)cc2)S(C)(=O)=O)cc1 ZINC000006962891 560748805 /nfs/dbraw/zinc/74/88/05/560748805.db2.gz SMYXRLLVNMVPKI-AWEZNQCLSA-N 0 0 420.487 2.665 40 0 HFABRN COc1ccc(NS(=O)(=O)c2ccc(OC)c(C(=O)N3CCCC3)c2)cc1OC ZINC000007361324 560750504 /nfs/dbraw/zinc/75/05/04/560750504.db2.gz YMCXTNNZVIQHMC-UHFFFAOYSA-N 0 0 420.487 2.749 40 0 HFABRN COC(=O)c1cc(C(=O)OC)cc(-c2ccc(CNn3c(C)n[nH]c3=S)o2)c1 ZINC000007602326 560751826 /nfs/dbraw/zinc/75/18/26/560751826.db2.gz QAIWZBUXHPWVNA-UHFFFAOYSA-N 0 0 402.432 2.826 40 0 HFABRN COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCc3ccc(F)cc3)C2)cc1 ZINC000008077693 560752822 /nfs/dbraw/zinc/75/28/22/560752822.db2.gz PQRVXWMCSSVFIQ-KRWDZBQOSA-N 0 0 420.506 2.594 40 0 HFABRN O=C(Nc1ccccc1C(F)(F)F)[C@@H]1CC(=O)Nc2nc(-c3cccnc3)nn21 ZINC000009926491 560760591 /nfs/dbraw/zinc/76/05/91/560760591.db2.gz PDOVGNQUWLIRLX-ZDUSSCGKSA-N 0 0 402.336 2.881 40 0 HFABRN Cc1ccc(S(=O)(=O)N2CCCc3cc(S(=O)(=O)N4CCCC4)ccc32)cc1 ZINC000010119304 560763953 /nfs/dbraw/zinc/76/39/53/560763953.db2.gz CKFIHUXONDPLJH-UHFFFAOYSA-N 0 0 420.556 2.921 40 0 HFABRN COC(=O)c1cccc(NC(=O)[C@H](C)N(c2cc(C)cc(C)c2)S(C)(=O)=O)c1 ZINC000010296201 560766649 /nfs/dbraw/zinc/76/66/49/560766649.db2.gz PXMDVFXMONPEAP-HNNXBMFYSA-N 0 0 404.488 2.883 40 0 HFABRN COc1ccc(S(=O)(=O)N2CCC3(CC2)CC(=O)c2cc(OC)ccc2O3)cc1 ZINC000170550464 560767271 /nfs/dbraw/zinc/76/72/71/560767271.db2.gz USOLHRWJSNLBOG-UHFFFAOYSA-N 0 0 417.483 2.893 40 0 HFABRN CCOC(=O)C1=C(N)Oc2c3ccccc3[nH]c(=O)c2[C@@H]1c1ccc(O)c(OCC)c1 ZINC000010326100 560768135 /nfs/dbraw/zinc/76/81/35/560768135.db2.gz KHTHPCFCMPBCRQ-KRWDZBQOSA-N 0 0 422.437 2.890 40 0 HFABRN CCOc1ccc(CNC(=O)[C@H](C)N(c2ccc(OC)cc2)S(C)(=O)=O)cc1 ZINC000010448683 560769007 /nfs/dbraw/zinc/76/90/07/560769007.db2.gz JNVKBBUCDSGHPP-HNNXBMFYSA-N 0 0 406.504 2.565 40 0 HFABRN CCOC(=O)c1ccc(NC(=O)[C@@H](C)N(c2ccccc2)S(C)(=O)=O)c(C)c1 ZINC000010446854 560769432 /nfs/dbraw/zinc/76/94/32/560769432.db2.gz DUIAVDOVWQTZLE-OAHLLOKOSA-N 0 0 404.488 2.965 40 0 HFABRN CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1ccccc1Br ZINC000010542647 560770158 /nfs/dbraw/zinc/77/01/58/560770158.db2.gz WDQNUYRPTOSEOZ-UHFFFAOYSA-N 0 0 409.305 2.902 40 0 HFABRN CC[C@@H](C)NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000113935678 560806264 /nfs/dbraw/zinc/80/62/64/560806264.db2.gz YCSGQTDVJPBWOU-CQSZACIVSA-N 0 0 424.494 2.953 40 0 HFABRN COc1ccc2c(c1)[nH]cc(NC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)c2=O ZINC000013566024 560813514 /nfs/dbraw/zinc/81/35/14/560813514.db2.gz KULIYHKJSVZDOF-UHFFFAOYSA-N 0 0 402.451 2.621 40 0 HFABRN CCOC(=O)C1=C(CSc2nnc(C)s2)NC(=O)N[C@@H]1c1ccccc1OC ZINC000013566268 560813658 /nfs/dbraw/zinc/81/36/58/560813658.db2.gz MJBDWQSWVQCPKY-OAHLLOKOSA-N 0 0 420.516 2.819 40 0 HFABRN Cc1ccc(C)c(N(CCCC(=O)Nc2ccc(C(N)=O)cc2)S(C)(=O)=O)c1 ZINC000014397129 560841533 /nfs/dbraw/zinc/84/15/33/560841533.db2.gz WSKWGXBSHXRUSH-UHFFFAOYSA-N 0 0 403.504 2.587 40 0 HFABRN CCOC(=O)C1CCN(C(=O)CCCN(c2cc(C)ccc2C)S(C)(=O)=O)CC1 ZINC000014398375 560841780 /nfs/dbraw/zinc/84/17/80/560841780.db2.gz JDCXWMUIJQAHDI-UHFFFAOYSA-N 0 0 424.563 2.651 40 0 HFABRN Cc1ccc(Cn2nnc3c2nc([C@H]2CCCN(C(=O)C(C)(C)C)C2)[nH]c3=O)cc1 ZINC000018165899 560871303 /nfs/dbraw/zinc/87/13/03/560871303.db2.gz JLHNIDJLCXUNGT-INIZCTEOSA-N 0 0 408.506 2.623 40 0 HFABRN COc1cc(NC(=O)c2ccccc2C)c(OC)cc1NC(=O)CN1CCOCC1 ZINC000019236898 560872211 /nfs/dbraw/zinc/87/22/11/560872211.db2.gz QFNJWCYLWFHHRL-UHFFFAOYSA-N 0 0 413.474 2.535 40 0 HFABRN Fc1ccc([C@@H](c2nnnn2C[C@@H]2CCCO2)N2CCN(c3ccccc3)CC2)cc1 ZINC000019372951 560872623 /nfs/dbraw/zinc/87/26/23/560872623.db2.gz KDCSIIZNFIKTAP-VXKWHMMOSA-N 0 0 422.508 2.903 40 0 HFABRN c1ccc([C@@H](c2nnnn2C[C@@H]2CCCO2)N2CCN(c3ccccc3)CC2)cc1 ZINC000019369628 560872834 /nfs/dbraw/zinc/87/28/34/560872834.db2.gz NUICTGLFBVWROX-VXKWHMMOSA-N 0 0 404.518 2.764 40 0 HFABRN CCC(C)(C)n1nnnc1[C@H](c1cc2cc(C)c(C)cc2[nH]c1=O)N1CCN(C)CC1 ZINC000019499543 560873432 /nfs/dbraw/zinc/87/34/32/560873432.db2.gz SADUHLYFOUONOF-FQEVSTJZSA-N 0 0 423.565 2.613 40 0 HFABRN CCN1CCN([C@@H](c2nnnn2Cc2ccc(OC)cc2)c2ccccc2F)CC1 ZINC000019528089 560874786 /nfs/dbraw/zinc/87/47/86/560874786.db2.gz UVQJAYHHYGOGAO-OAQYLSRUSA-N 0 0 410.497 2.596 40 0 HFABRN CCOC(=O)[C@@]1(C)N[C@@H](c2cccs2)[C@H]2C(=O)N(c3ccc(OC)cc3)C(=O)[C@@H]21 ZINC000019529798 560875018 /nfs/dbraw/zinc/87/50/18/560875018.db2.gz UKYLHSHAERUDPP-DLRJPAPCSA-N 0 0 414.483 2.529 40 0 HFABRN O=C(c1ccccc1)N1CCN(C[C@H](O)COc2ccc(Br)cc2)CC1 ZINC000019973635 560877875 /nfs/dbraw/zinc/87/78/75/560877875.db2.gz SGNUTIGGGCXXCJ-SFHVURJKSA-N 0 0 419.319 2.647 40 0 HFABRN COc1ccc([C@@H](c2nnnn2C(C)(C)C)N2CCN(C(=O)c3ccco3)CC2)cc1 ZINC000020139445 560881120 /nfs/dbraw/zinc/88/11/20/560881120.db2.gz DSGZNBNSWXUJBA-IBGZPJMESA-N 0 0 424.505 2.577 40 0 HFABRN O=C(c1ccc(F)cc1)N1CCCc2cc(S(=O)(=O)NC[C@H]3CCCO3)ccc21 ZINC000020766724 568458958 /nfs/dbraw/zinc/45/89/58/568458958.db2.gz FUMSVSKCFVUQEY-GOSISDBHSA-N 0 0 418.490 2.876 40 0 HFABRN COc1cccc(O[C@@H](C)C(=O)Nc2cc(S(=O)(=O)NC(C)C)ccc2OC)c1 ZINC000216241169 568463730 /nfs/dbraw/zinc/46/37/30/568463730.db2.gz KYAXFRNGKQEOHB-AWEZNQCLSA-N 0 0 422.503 2.797 40 0 HFABRN COc1ccc(CN(C)C(=O)[C@@H](C)N(c2ccccc2)S(C)(=O)=O)cc1OC ZINC000216258848 568463879 /nfs/dbraw/zinc/46/38/79/568463879.db2.gz NOWMLXXAQMQPFS-OAHLLOKOSA-N 0 0 406.504 2.517 40 0 HFABRN CC[C@@H](C(=O)NCc1ccc(-n2ccnc2)cc1)N(c1ccccc1)S(C)(=O)=O ZINC000216396707 568465078 /nfs/dbraw/zinc/46/50/78/568465078.db2.gz WRTCONQRVGUSMM-FQEVSTJZSA-N 0 0 412.515 2.733 40 0 HFABRN COCCCNC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccc(C)cc1 ZINC000022275344 568477843 /nfs/dbraw/zinc/47/78/43/568477843.db2.gz NSWBGJCERWYXEY-UHFFFAOYSA-N 0 0 404.532 2.960 40 0 HFABRN CCOc1ccccc1CCCNC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000219010923 568485927 /nfs/dbraw/zinc/48/59/27/568485927.db2.gz NKVMPVONVOJUDZ-UHFFFAOYSA-N 0 0 404.532 2.763 40 0 HFABRN Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)Oc3cc(C)ccc3C)CC2)cc1 ZINC000219067803 568486507 /nfs/dbraw/zinc/48/65/07/568486507.db2.gz ZBXXOHKHLDNTTC-LJQANCHMSA-N 0 0 416.543 2.912 40 0 HFABRN CS(=O)(=O)N(CCCC(=O)NCc1nc(-c2cccs2)no1)c1ccccc1 ZINC000219176638 568487685 /nfs/dbraw/zinc/48/76/85/568487685.db2.gz VIZUDFCLQKSFCQ-UHFFFAOYSA-N 0 0 420.516 2.661 40 0 HFABRN COc1cc2c(cc1OC)N(C)S(=O)(=O)C(C(=O)NCc1ccc(C)cc1)=C2C ZINC000219188566 568487770 /nfs/dbraw/zinc/48/77/70/568487770.db2.gz ZGSTZJPWVCKKDW-UHFFFAOYSA-N 0 0 416.499 2.839 40 0 HFABRN CC(C)Oc1cccc(CNC(=O)CCCN2C(=O)c3ccccc3S2(=O)=O)c1 ZINC000219440650 568492404 /nfs/dbraw/zinc/49/24/04/568492404.db2.gz BCSJOMHPRVTRFS-UHFFFAOYSA-N 0 0 416.499 2.715 40 0 HFABRN Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)Oc3ccc(C)c(C)c3)CC2)cc1 ZINC000219512710 568493770 /nfs/dbraw/zinc/49/37/70/568493770.db2.gz TVZAGGBYUVQQLV-IBGZPJMESA-N 0 0 416.543 2.912 40 0 HFABRN Cc1ccc(O[C@H](C)C(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)c(C)c1 ZINC000219525054 568493921 /nfs/dbraw/zinc/49/39/21/568493921.db2.gz SXARJHFNULCBHD-MRXNPFEDSA-N 0 0 402.516 2.910 40 0 HFABRN CCOCCN(CC)C(=O)Cn1nc(-c2cccs2)c(-c2cc(C)no2)cc1=O ZINC000057742301 568495532 /nfs/dbraw/zinc/49/55/32/568495532.db2.gz FAYOXCGZYYWESE-UHFFFAOYSA-N 0 0 416.503 2.820 40 0 HFABRN CN(CCCC(=O)Nc1ccc(N2CCCC2=O)cc1)S(=O)(=O)c1ccccc1 ZINC000219726130 568497803 /nfs/dbraw/zinc/49/78/03/568497803.db2.gz AKXHTGIVZWPASF-UHFFFAOYSA-N 0 0 415.515 2.853 40 0 HFABRN Cc1ccc([C@H](C)NC(=O)c2ccc(CS(=O)(=O)N3CCOCC3)cc2)cc1C ZINC000219972470 568500644 /nfs/dbraw/zinc/50/06/44/568500644.db2.gz UHQGZEQTQZSKQO-SFHVURJKSA-N 0 0 416.543 2.956 40 0 HFABRN COc1ccccc1CCCNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000219976584 568500676 /nfs/dbraw/zinc/50/06/76/568500676.db2.gz VWPORMQVBRTKPL-UHFFFAOYSA-N 0 0 402.516 2.842 40 0 HFABRN COc1ccc(OC[C@@H](C)NC(=O)[C@H](C)N(c2cccc(C)c2)S(C)(=O)=O)cc1 ZINC000220141247 568502708 /nfs/dbraw/zinc/50/27/08/568502708.db2.gz QEALDJCHUWHPMU-SJORKVTESA-N 0 0 420.531 2.742 40 0 HFABRN CCOC(=O)c1ccc(NC(=O)[C@@H](C)N(c2cccc(OC)c2)S(C)(=O)=O)cc1 ZINC000220158144 568502851 /nfs/dbraw/zinc/50/28/51/568502851.db2.gz GNYFYNPCKRCRMH-CQSZACIVSA-N 0 0 420.487 2.665 40 0 HFABRN COc1cccc(N([C@H](C)C(=O)N[C@@H](C)CCc2ccccc2)S(C)(=O)=O)c1 ZINC000220174696 568502965 /nfs/dbraw/zinc/50/29/65/568502965.db2.gz BQDPBBPFRIYBTD-DLBZAZTESA-N 0 0 404.532 2.987 40 0 HFABRN CCc1ccc(N([C@@H](C)C(=O)Nc2cccc(C(=O)OC)c2)S(C)(=O)=O)cc1 ZINC000220281224 568504191 /nfs/dbraw/zinc/50/41/91/568504191.db2.gz XKFILJZKGRJVSP-AWEZNQCLSA-N 0 0 404.488 2.829 40 0 HFABRN COC(=O)c1cccc(NC(=O)[C@H](C)N(c2ccccc2F)S(C)(=O)=O)c1C ZINC000220306934 568504464 /nfs/dbraw/zinc/50/44/64/568504464.db2.gz KEUPNKLSUVANQB-ZDUSSCGKSA-N 0 0 408.451 2.714 40 0 HFABRN COc1ccc(C)cc1N([C@@H](C)C(=O)N1CCc2ccccc2C1)S(C)(=O)=O ZINC000220330436 568504700 /nfs/dbraw/zinc/50/47/00/568504700.db2.gz MOESTEJZNOFXOJ-INIZCTEOSA-N 0 0 402.516 2.743 40 0 HFABRN CCOc1cccc(CNC(=O)[C@@H](C)N(c2cc(C)ccc2OC)S(C)(=O)=O)c1 ZINC000220346079 568504920 /nfs/dbraw/zinc/50/49/20/568504920.db2.gz QZGGXNRPDIOLOU-MRXNPFEDSA-N 0 0 420.531 2.873 40 0 HFABRN COc1ccc(C)cc1N([C@H](C)C(=O)NCCOc1ccc(C)cc1)S(C)(=O)=O ZINC000220343549 568504939 /nfs/dbraw/zinc/50/49/39/568504939.db2.gz DBPLTBUNYSVLHA-QGZVFWFLSA-N 0 0 420.531 2.662 40 0 HFABRN CC[C@H](C(=O)NCCN(C)c1ccccc1)N(c1cccc(C)c1)S(C)(=O)=O ZINC000220519795 568506322 /nfs/dbraw/zinc/50/63/22/568506322.db2.gz CBMPGYLQQHQQSR-HXUWFJFHSA-N 0 0 403.548 2.792 40 0 HFABRN CC[C@@H](C(=O)NCCN(C)c1ccccc1)N(c1cccc(C)c1)S(C)(=O)=O ZINC000220519733 568506323 /nfs/dbraw/zinc/50/63/23/568506323.db2.gz CBMPGYLQQHQQSR-FQEVSTJZSA-N 0 0 403.548 2.792 40 0 HFABRN CC[C@@H](C(=O)N(C)Cc1ccc(OC)cc1)N(c1cccc(OC)c1)S(C)(=O)=O ZINC000220608796 568507383 /nfs/dbraw/zinc/50/73/83/568507383.db2.gz DVXPVDKYSGEBSM-FQEVSTJZSA-N 0 0 420.531 2.907 40 0 HFABRN CC[C@@H](C(=O)N(C)Cc1ccc(OC)cc1)N(c1ccc(OC)cc1)S(C)(=O)=O ZINC000220635006 568507678 /nfs/dbraw/zinc/50/76/78/568507678.db2.gz NSSJCPQINXCSGO-FQEVSTJZSA-N 0 0 420.531 2.907 40 0 HFABRN CCOc1ccc(CNC(=O)[C@H](CC)N(c2ccc(OC)cc2)S(C)(=O)=O)cc1 ZINC000220655240 568508155 /nfs/dbraw/zinc/50/81/55/568508155.db2.gz RSEIBSFEORGVKH-FQEVSTJZSA-N 0 0 420.531 2.955 40 0 HFABRN CC[C@H](C(=O)Nc1ccccc1C(N)=O)N(c1ccc(C)c(Cl)c1)S(C)(=O)=O ZINC000220738261 568508970 /nfs/dbraw/zinc/50/89/70/568508970.db2.gz MSINFJYOCNOWAN-QGZVFWFLSA-N 0 0 423.922 2.931 40 0 HFABRN Cc1ccc(C(=O)Nc2ccccc2C(=O)NC(C)C)cc1N(C)S(C)(=O)=O ZINC000222453073 568515992 /nfs/dbraw/zinc/51/59/92/568515992.db2.gz SZAMINXSHOWHPE-UHFFFAOYSA-N 0 0 403.504 2.781 40 0 HFABRN CNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)COc1cc(OC)cc(OC)c1 ZINC000222476447 568516319 /nfs/dbraw/zinc/51/63/19/568516319.db2.gz UPUMNJLCDWKMLP-MRXNPFEDSA-N 0 0 400.475 2.554 40 0 HFABRN Cc1cc(C(=O)Nc2ccc(N3CCCC3=O)cc2)ccc1N(C)S(C)(=O)=O ZINC000222483380 568516477 /nfs/dbraw/zinc/51/64/77/568516477.db2.gz XZXUXKRYOAFQKQ-UHFFFAOYSA-N 0 0 401.488 2.770 40 0 HFABRN Cc1cc(C(=O)N(C)Cc2nc(-c3cccs3)no2)ccc1N(C)S(C)(=O)=O ZINC000222487252 568516571 /nfs/dbraw/zinc/51/65/71/568516571.db2.gz ZFVUWANEPSMFGY-UHFFFAOYSA-N 0 0 420.516 2.775 40 0 HFABRN COC(=O)c1cn(C(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)c2ccccc12 ZINC000222582589 568519196 /nfs/dbraw/zinc/51/91/96/568519196.db2.gz HLWGHDMPSQCDOM-UHFFFAOYSA-N 0 0 404.419 2.673 40 0 HFABRN COc1ccc(S(=O)(=O)N[C@H]2CCCc3ccccc32)cc1N1C(=O)CCC1=O ZINC000222588551 568519403 /nfs/dbraw/zinc/51/94/03/568519403.db2.gz APEUNAMAAMPAPK-KRWDZBQOSA-N 0 0 414.483 2.705 40 0 HFABRN COc1cccc(N(CCCC(=O)Nc2ccc3c(c2)OCCO3)S(C)(=O)=O)c1 ZINC000222591190 568519559 /nfs/dbraw/zinc/51/95/59/568519559.db2.gz JVVCLKPVMWINJQ-UHFFFAOYSA-N 0 0 420.487 2.651 40 0 HFABRN COc1ccc(N(CCCC(=O)Nc2ccc(OC)cc2OC)S(C)(=O)=O)cc1 ZINC000222598663 568519968 /nfs/dbraw/zinc/51/99/68/568519968.db2.gz PZHHOPVSIPKIJQ-UHFFFAOYSA-N 0 0 422.503 2.897 40 0 HFABRN COC(=O)c1cn(C(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)c2ccccc12 ZINC000222611631 568520602 /nfs/dbraw/zinc/52/06/02/568520602.db2.gz GUTZQQVKAQOAQZ-UHFFFAOYSA-N 0 0 400.456 2.697 40 0 HFABRN CCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccccc2C(=O)c2ccccc2)C1 ZINC000222614394 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O=C(NCc1cccc2ccccc21)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000222880870 568529472 /nfs/dbraw/zinc/52/94/72/568529472.db2.gz WCXLUMGXVPZPDF-UHFFFAOYSA-N 0 0 410.495 2.791 40 0 HFABRN COCCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1 ZINC000222927577 568531189 /nfs/dbraw/zinc/53/11/89/568531189.db2.gz NDYKGCHTSNCSJC-QGZVFWFLSA-N 0 0 402.466 2.775 40 0 HFABRN COc1ccc(C)cc1S(=O)(=O)NCCSc1n[nH]c(-c2ccccc2)n1 ZINC000222981714 568533134 /nfs/dbraw/zinc/53/31/34/568533134.db2.gz VSYVKQVBZLEKAQ-UHFFFAOYSA-N 0 0 404.517 2.859 40 0 HFABRN COc1ccc(S(=O)(=O)NCCSc2n[nH]c(-c3ccccc3)n2)cc1C ZINC000222994052 568533624 /nfs/dbraw/zinc/53/36/24/568533624.db2.gz WBYJHKMUBLAGBC-UHFFFAOYSA-N 0 0 404.517 2.859 40 0 HFABRN O=c1[nH]c2ccc(S(=O)(=O)NCCNc3ccnc4cc(Cl)ccc43)cc2o1 ZINC000223028769 568534792 /nfs/dbraw/zinc/53/47/92/568534792.db2.gz RLPBFJMNEPGLAU-UHFFFAOYSA-N 0 0 418.862 2.713 40 0 HFABRN COc1ccc(S(=O)(=O)NCCCc2cccc(C)c2)cc1N1C(=O)CCC1=O ZINC000223046418 568535494 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CC(=O)Nc1ccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000001379501 557257990 /nfs/dbraw/zinc/25/79/90/557257990.db2.gz MXPRUVAZUZWXNR-LJQANCHMSA-N 0 0 401.488 2.745 40 0 HFABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(C)n3)c(=O)n2[C@@H]1c1ccccc1 ZINC000001416199 557260152 /nfs/dbraw/zinc/26/01/52/557260152.db2.gz OQGVMCSPSMEEQC-MTGKDYNDSA-N 0 0 419.506 2.502 40 0 HFABRN O=C1N[C@]23C(=O)N(C4CCCCC4)C[C@@]2(Cc2ccccc2)c2ccccc2N3C1=O ZINC000001556025 557272307 /nfs/dbraw/zinc/27/23/07/557272307.db2.gz KKOIMLRTOYHUKZ-DQEYMECFSA-N 0 0 415.493 2.515 40 0 HFABRN O=C1N[C@@]23C(=O)N(C4CCCCC4)C[C@]2(Cc2ccccc2)c2ccccc2N3C1=O ZINC000001556022 557272327 /nfs/dbraw/zinc/27/23/27/557272327.db2.gz KKOIMLRTOYHUKZ-JWQCQUIFSA-N 0 0 415.493 2.515 40 0 HFABRN COC(=O)C(=O)[C@H](C(=O)Nc1cccc(C)c1C)[C@H]1Sc2ccccc2NC1=O ZINC000001624585 557277127 /nfs/dbraw/zinc/27/71/27/557277127.db2.gz VRWUFOWKVHBEPN-FUHWJXTLSA-N 0 0 412.467 2.713 40 0 HFABRN CCCNS(=O)(=O)c1ccc(OCC(=O)NCCc2ccccc2)c(Cl)c1 ZINC000408531054 557301144 /nfs/dbraw/zinc/30/11/44/557301144.db2.gz LUCBQCHKTUVTEF-UHFFFAOYSA-N 0 0 410.923 2.766 40 0 HFABRN CCOCCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1 ZINC000408536455 557325516 /nfs/dbraw/zinc/32/55/16/557325516.db2.gz ZPKUBTKLQBGQBW-ZDUSSCGKSA-N 0 0 423.362 2.937 40 0 HFABRN CCOCCCNC(=O)COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 ZINC000408536170 557328060 /nfs/dbraw/zinc/32/80/60/557328060.db2.gz YLRKGKGJPDVFGQ-UHFFFAOYSA-N 0 0 410.467 2.548 40 0 HFABRN CCN1CCN(C(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3C)c2)CC1 ZINC000408547780 557370527 /nfs/dbraw/zinc/37/05/27/557370527.db2.gz MSOLVQYAKQWCNN-UHFFFAOYSA-N 0 0 401.532 2.882 40 0 HFABRN O=C(COc1ccc(S(=O)(=O)N2CCCCC2)cc1Cl)NCc1cccnc1 ZINC000408557045 557453761 /nfs/dbraw/zinc/45/37/61/557453761.db2.gz LWJZJEYPJIOZJI-UHFFFAOYSA-N 0 0 423.922 2.605 40 0 HFABRN COc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1NC(=O)c1ccccc1C ZINC000408561689 557460181 /nfs/dbraw/zinc/46/01/81/557460181.db2.gz VDJRRHYDHYZEJC-HNNXBMFYSA-N 0 0 404.488 2.713 40 0 HFABRN CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCC(C)C)CC2)cc1Cl ZINC000408583952 557483572 /nfs/dbraw/zinc/48/35/72/557483572.db2.gz KTQPLVNEAZCPSV-UHFFFAOYSA-N 0 0 402.944 2.912 40 0 HFABRN CC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)Nc2cccc(NC(C)=O)c2)cc1 ZINC000408584094 557484101 /nfs/dbraw/zinc/48/41/01/557484101.db2.gz LMWLSWZRJWNLSG-CQSZACIVSA-N 0 0 419.503 2.739 40 0 HFABRN COc1ccc(N(CC(=O)NCC(C)C)S(=O)(=O)c2cc(C)ccc2OC)cc1 ZINC000408585121 557488334 /nfs/dbraw/zinc/48/83/34/557488334.db2.gz ALKYTKRCBABFLK-UHFFFAOYSA-N 0 0 420.531 2.980 40 0 HFABRN COc1ccc(C)cc1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C ZINC000003567314 557493547 /nfs/dbraw/zinc/49/35/47/557493547.db2.gz PPYWLBMWRDBDRH-UHFFFAOYSA-N 0 0 404.488 2.585 40 0 HFABRN C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)N1CCN(c2ccccc2)CC1 ZINC000408586954 557493614 /nfs/dbraw/zinc/49/36/14/557493614.db2.gz AINNXHYNYGECQU-GOSISDBHSA-N 0 0 423.538 2.855 40 0 HFABRN COc1cc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(F)cc2)c(OC)cc1Cl ZINC000408588448 557494137 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CCc1nn(CC(=O)N(Cc2cccnc2)C2CC2)c(=O)c2cc3ccsc3n21 ZINC000012114313 558327284 /nfs/dbraw/zinc/32/72/84/558327284.db2.gz VQGULYDFNGRCEU-UHFFFAOYSA-N 0 0 407.499 2.859 40 0 HFABRN CS(=O)(=O)N(CC(=O)NCc1ccc(-n2ccnc2)cc1)c1ccccc1Cl ZINC000020049352 558328211 /nfs/dbraw/zinc/32/82/11/558328211.db2.gz KZUKWTKRJYIHII-UHFFFAOYSA-N 0 0 418.906 2.608 40 0 HFABRN CS(=O)(=O)N1C[C@H](C(=O)Nc2ccc(F)cc2F)Oc2ccc(Cl)cc21 ZINC000020050085 558328254 /nfs/dbraw/zinc/32/82/54/558328254.db2.gz SKTIXNOTBYZGKS-OAHLLOKOSA-N 0 0 402.806 2.784 40 0 HFABRN COc1ccc(-c2cc(C(=O)N3CCC4(CC3)NC(=O)c3ccccc3O4)[nH]n2)cc1 ZINC000012116295 558328533 /nfs/dbraw/zinc/32/85/33/558328533.db2.gz JCZGYWKXBKKGKM-UHFFFAOYSA-N 0 0 418.453 2.840 40 0 HFABRN COc1ccc(N(CC(=O)N[C@@H](C)c2ccc(C)cc2C)S(C)(=O)=O)c(OC)c1 ZINC000020106487 558333486 /nfs/dbraw/zinc/33/34/86/558333486.db2.gz CIHLLSLYNAUZQC-INIZCTEOSA-N 0 0 420.531 2.964 40 0 HFABRN C[C@@H]1CCCC[C@H]1NC(=O)Cn1c2ccccc2n2c(=O)n(Cc3ccccn3)nc12 ZINC000012144999 558336307 /nfs/dbraw/zinc/33/63/07/558336307.db2.gz ROKCURCGGJXIPM-SJLPKXTDSA-N 0 0 418.501 2.589 40 0 HFABRN Cc1sc2nc(C)n(C3CCN(C(=O)CCN4CCCC4=O)CC3)c(=O)c2c1C ZINC000012145439 558336555 /nfs/dbraw/zinc/33/65/55/558336555.db2.gz JDYLPGYQBHDDBK-UHFFFAOYSA-N 0 0 416.547 2.559 40 0 HFABRN NC(=O)c1nc(-c2ccc(-c3ccccc3)cc2)nc2c1[nH]c(=O)n2C[C@H]1CCCO1 ZINC000012145924 558337365 /nfs/dbraw/zinc/33/73/65/558337365.db2.gz ZMNPGBZOEAWJBS-QGZVFWFLSA-N 0 0 415.453 2.732 40 0 HFABRN Cc1noc(C)c1CCC(=O)N[C@H](C)Cn1nc2c(C)cc3ccccc3n2c1=O ZINC000012146395 558337865 /nfs/dbraw/zinc/33/78/65/558337865.db2.gz DMWTUQOMEGDYLK-CQSZACIVSA-N 0 0 407.474 2.700 40 0 HFABRN CN1[C@@H](C(=O)N2C[C@@]3(C)C[C@@H]2CC(C)(C)C3)C[C@@H](c2ccc(F)cc2)NS1(=O)=O ZINC000012159511 558341386 /nfs/dbraw/zinc/34/13/86/558341386.db2.gz IVXKSDILQCNLQM-UGNRZPKXSA-N 0 0 423.554 2.833 40 0 HFABRN CN(C)S(=O)(=O)N(C)c1ccc(C(=O)Nc2ccc(Br)cc2)cc1 ZINC000020245532 558351363 /nfs/dbraw/zinc/35/13/63/558351363.db2.gz FSPNRAZVPJFTJW-UHFFFAOYSA-N 0 0 412.309 2.944 40 0 HFABRN CCOc1cccc(CNC(=O)c2ccc(CS(=O)(=O)N3CCCC3)cc2)c1 ZINC000020458170 558371256 /nfs/dbraw/zinc/37/12/56/558371256.db2.gz MIVHGYFVRLMJRH-UHFFFAOYSA-N 0 0 402.516 2.941 40 0 HFABRN CN(C)S(=O)(=O)N(CC(=O)N[C@@H]1CCCc2ccccc21)c1ccccc1F ZINC000020488066 558376937 /nfs/dbraw/zinc/37/69/37/558376937.db2.gz KIPYNSAYDFVORY-GOSISDBHSA-N 0 0 405.495 2.632 40 0 HFABRN CCOc1cccc(CNC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)N(C)C)c1 ZINC000020492126 558378502 /nfs/dbraw/zinc/37/85/02/558378502.db2.gz XIBALKAYXFTWEE-UHFFFAOYSA-N 0 0 419.547 2.631 40 0 HFABRN CC(C)c1ncc2c(n1)C1(CCN(S(=O)(=O)c3ccc(F)cc3)CC1)OCC2 ZINC000012407111 558398248 /nfs/dbraw/zinc/39/82/48/558398248.db2.gz OJFHGLNWUDVBKD-UHFFFAOYSA-N 0 0 405.495 2.992 40 0 HFABRN O=C1CCCc2nc3nc(N4CCOCC4)[nH]c(=O)c3c(-c3cccc(Cl)c3)c21 ZINC000020673656 558399087 /nfs/dbraw/zinc/39/90/87/558399087.db2.gz NEHOMGGSQNHZFP-UHFFFAOYSA-N 0 0 410.861 2.994 40 0 HFABRN CC1CCN(C(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000022247002 558472329 /nfs/dbraw/zinc/47/23/29/558472329.db2.gz ALMZNQMIVJUMMI-HXUWFJFHSA-N 0 0 404.507 2.974 40 0 HFABRN CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCCC2)cc1 ZINC000022247658 558472491 /nfs/dbraw/zinc/47/24/91/558472491.db2.gz GHHJBIQESMGMAQ-FQEVSTJZSA-N 0 0 402.516 2.597 40 0 HFABRN COc1cc(C(=O)Nc2c(F)cccc2F)c(N(C)S(C)(=O)=O)cc1OC ZINC000022251292 558473134 /nfs/dbraw/zinc/47/31/34/558473134.db2.gz XLUXIHCKXQYXSD-UHFFFAOYSA-N 0 0 400.403 2.630 40 0 HFABRN COc1cc(C(=O)NC(C)C)c(N(Cc2ccccc2F)S(C)(=O)=O)cc1OC ZINC000022254265 558474201 /nfs/dbraw/zinc/47/42/01/558474201.db2.gz KIXKAFASEVBBRZ-UHFFFAOYSA-N 0 0 424.494 2.947 40 0 HFABRN COc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](C)c2ccc(F)cc2)cc1Cl ZINC000022271801 558475315 /nfs/dbraw/zinc/47/53/15/558475315.db2.gz XOWUENRYMMEMHF-LBPRGKRZSA-N 0 0 414.886 2.986 40 0 HFABRN COc1ccc(CCCNC(=O)CN(c2cccc(C)c2)S(C)(=O)=O)cc1OC ZINC000022327428 558478636 /nfs/dbraw/zinc/47/86/36/558478636.db2.gz MOUJHKOKPQUCRU-UHFFFAOYSA-N 0 0 420.531 2.527 40 0 HFABRN COc1cccc(N(CC(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)S(C)(=O)=O)c1 ZINC000022332201 558480316 /nfs/dbraw/zinc/48/03/16/558480316.db2.gz AWRQUWOPKOXYEX-GOSISDBHSA-N 0 0 418.515 2.880 40 0 HFABRN CCOc1ccc(N(CC(=O)NCCCc2ccc(OC)cc2)S(C)(=O)=O)cc1 ZINC000022333180 558480708 /nfs/dbraw/zinc/48/07/08/558480708.db2.gz GKZFPARBWXJGJP-UHFFFAOYSA-N 0 0 420.531 2.609 40 0 HFABRN CCOc1ccc(CCCNC(=O)CN(c2ccccc2F)S(C)(=O)=O)cc1 ZINC000022335267 558480865 /nfs/dbraw/zinc/48/08/65/558480865.db2.gz LOTOAOSVDUGOII-UHFFFAOYSA-N 0 0 408.495 2.739 40 0 HFABRN COc1ccc(C)cc1N(CC(=O)N[C@@H](C)COc1ccccc1C)S(C)(=O)=O ZINC000022336341 558481315 /nfs/dbraw/zinc/48/13/15/558481315.db2.gz PPGWODUOUNNTHU-KRWDZBQOSA-N 0 0 420.531 2.662 40 0 HFABRN CCc1ccc(N(CC(=O)N[C@@H](C)COc2ccccc2C)S(C)(=O)=O)cc1 ZINC000022361721 558483116 /nfs/dbraw/zinc/48/31/16/558483116.db2.gz AGQVHYJWMVXSRJ-KRWDZBQOSA-N 0 0 404.532 2.907 40 0 HFABRN CC(=O)c1cccc(N(CC(=O)N[C@H]2CCCc3ccccc32)S(C)(=O)=O)c1 ZINC000022366767 558483635 /nfs/dbraw/zinc/48/36/35/558483635.db2.gz BYDJSBHRHFYUFF-FQEVSTJZSA-N 0 0 400.500 2.849 40 0 HFABRN Cc1ccc(C)c([C@@H](C)NC(=O)CN(c2ccc3c(c2)OCO3)S(C)(=O)=O)c1 ZINC000022368010 558483645 /nfs/dbraw/zinc/48/36/45/558483645.db2.gz WBUDKOQXBPYFHP-OAHLLOKOSA-N 0 0 404.488 2.676 40 0 HFABRN CCOC(=O)c1ccc(NC(=O)CN(c2cccc(OCC)c2)S(C)(=O)=O)cc1 ZINC000022381529 558484676 /nfs/dbraw/zinc/48/46/76/558484676.db2.gz NLZKHMSWVBBPSK-UHFFFAOYSA-N 0 0 420.487 2.667 40 0 HFABRN COc1ccc(CCNC(=O)CN(c2ccccc2C(C)C)S(C)(=O)=O)cc1 ZINC000022385895 558485209 /nfs/dbraw/zinc/48/52/09/558485209.db2.gz RNYLBVHCDQCTQJ-UHFFFAOYSA-N 0 0 404.532 2.944 40 0 HFABRN CC(C)c1ccccc1N(CC(=O)NCc1ccc2c(c1)OCO2)S(C)(=O)=O ZINC000022392377 558486267 /nfs/dbraw/zinc/48/62/67/558486267.db2.gz FSIGAKUGLSFURD-UHFFFAOYSA-N 0 0 404.488 2.621 40 0 HFABRN COc1ccc(OC[C@@H](C)NS(=O)(=O)c2ccc(N3CCCC3=O)c(C)c2)cc1 ZINC000022512236 558493100 /nfs/dbraw/zinc/49/31/00/558493100.db2.gz PWWBKUVPYZBKEV-MRXNPFEDSA-N 0 0 418.515 2.876 40 0 HFABRN CC[C@H](C(=O)N(C)Cc1ccc(OC)c(OC)c1)N(c1ccccc1)S(C)(=O)=O ZINC000022525186 558495491 /nfs/dbraw/zinc/49/54/91/558495491.db2.gz IZVGZXFFYPGYMH-GOSISDBHSA-N 0 0 420.531 2.907 40 0 HFABRN COc1ccc(F)cc1S(=O)(=O)N1CCC[C@H](C(=O)NCc2ccccc2)C1 ZINC000013580555 558544257 /nfs/dbraw/zinc/54/42/57/558544257.db2.gz DWEVWQKGSCYECR-INIZCTEOSA-N 0 0 406.479 2.551 40 0 HFABRN CCN(CC(=O)N[C@@H](C)CCc1ccccc1)S(=O)(=O)c1cc(F)ccc1OC ZINC000013581290 558544766 /nfs/dbraw/zinc/54/47/66/558544766.db2.gz ZQJITUHJEAIIRT-INIZCTEOSA-N 0 0 422.522 2.982 40 0 HFABRN CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cccc(NC(C)=O)c2)ccc1OC ZINC000013581481 558544993 /nfs/dbraw/zinc/54/49/93/558544993.db2.gz XOMYBKZBIKIHEN-UHFFFAOYSA-N 0 0 419.503 2.936 40 0 HFABRN CCOc1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)c1 ZINC000013632658 558552762 /nfs/dbraw/zinc/55/27/62/558552762.db2.gz XVJKMAZLOHVYDW-UHFFFAOYSA-N 0 0 404.488 2.667 40 0 HFABRN CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2ccc(OC)cc2OC)cc1 ZINC000013633317 558552985 /nfs/dbraw/zinc/55/29/85/558552985.db2.gz IULOBNRYZGLLMI-UHFFFAOYSA-N 0 0 422.503 2.752 40 0 HFABRN CCNC(=O)c1cc(S(=O)(=O)NCCSCc2ccc(C)cc2)ccc1OC ZINC000013679577 558566050 /nfs/dbraw/zinc/56/60/50/558566050.db2.gz QQYCKNAWYKTNFK-UHFFFAOYSA-N 0 0 422.572 2.965 40 0 HFABRN COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCSC(C)(C)C)C2)cc1 ZINC000013680039 558566240 /nfs/dbraw/zinc/56/62/40/558566240.db2.gz KNDKPAFXNOZHJH-OAHLLOKOSA-N 0 0 414.593 2.744 40 0 HFABRN O=C(CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)Nc1ccccc1C(=O)N1CCCCCC1 ZINC000013688906 558571400 /nfs/dbraw/zinc/57/14/00/558571400.db2.gz IFYWKRUMSTWTCI-HDICACEKSA-N 0 0 423.513 2.983 40 0 HFABRN CC[C@@H](C(=O)NCc1ccc2c(c1)OCO2)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000013716602 558579635 /nfs/dbraw/zinc/57/96/35/558579635.db2.gz JNTKAUOEAOBLII-SFHVURJKSA-N 0 0 418.515 2.893 40 0 HFABRN COc1ccc(OC)c([C@@H](C)NS(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)c1 ZINC000015365597 558736003 /nfs/dbraw/zinc/73/60/03/558736003.db2.gz ZTHNRRRLKHSWEV-CYBMUJFWSA-N 0 0 404.488 2.652 40 0 HFABRN COc1ccc(OC)c([C@H](C)NS(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)c1 ZINC000015365598 558736021 /nfs/dbraw/zinc/73/60/21/558736021.db2.gz ZTHNRRRLKHSWEV-ZDUSSCGKSA-N 0 0 404.488 2.652 40 0 HFABRN Cc1cc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)ccc1N1CCCC1=O ZINC000030756419 558737338 /nfs/dbraw/zinc/73/73/38/558737338.db2.gz LWRYSQFKGJVEJP-UHFFFAOYSA-N 0 0 413.543 2.628 40 0 HFABRN CC[C@@H](NC(=O)[C@@H](C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O)c1ccccc1 ZINC000030853987 558740632 /nfs/dbraw/zinc/74/06/32/558740632.db2.gz STPJCSBILPDDBB-CRAIPNDOSA-N 0 0 418.515 2.880 40 0 HFABRN O=C(Nc1ccccc1C(=O)NC[C@H]1CCCO1)c1cccc(N2CCCC2=O)c1 ZINC000015639305 558747216 /nfs/dbraw/zinc/74/72/16/558747216.db2.gz JTCHUNGSMLMKRG-GOSISDBHSA-N 0 0 407.470 2.975 40 0 HFABRN CCOC(=O)c1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)c1 ZINC000031524169 558751116 /nfs/dbraw/zinc/75/11/16/558751116.db2.gz HTWNZPCGEOUKMW-KRWDZBQOSA-N 0 0 416.499 2.903 40 0 HFABRN O=C(NCCc1c[nH]c2ccccc12)[C@H]1[C@H]2C=C[C@]3(CN(C4CCCC4)C(=O)[C@H]13)O2 ZINC000015894181 558760933 /nfs/dbraw/zinc/76/09/33/558760933.db2.gz JMQHDPGEFRNBMV-MDAIXWLXSA-N 0 0 405.498 2.551 40 0 biogenic HFABRN COc1ccc(NC(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(CCc5ccccc5)C(=O)[C@@H]24)O3)cc1 ZINC000015894281 558761019 /nfs/dbraw/zinc/76/10/19/558761019.db2.gz IGFUJEZUANXSMD-JCUDRXCFSA-N 0 0 404.466 2.658 40 0 biogenic HFABRN C[C@H](CCc1ccccc1)NC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000016576333 558796208 /nfs/dbraw/zinc/79/62/08/558796208.db2.gz CPDCULGIGIGPPB-GOSISDBHSA-N 0 0 416.543 2.987 40 0 HFABRN CC(C)C(=O)N1CCCc2cc([C@@H](O)CN3CCN(c4ccccn4)CC3)ccc21 ZINC000036741222 558802133 /nfs/dbraw/zinc/80/21/33/558802133.db2.gz BVLYZUXNIRKKNG-QFIPXVFZSA-N 0 0 408.546 2.872 40 0 HFABRN COc1cccc(CCc2nnc(NC(=O)c3ccc(-c4nnn(C)n4)cc3)s2)c1 ZINC000036752516 558802833 /nfs/dbraw/zinc/80/28/33/558802833.db2.gz MRPMYLCJWAGQMB-UHFFFAOYSA-N 0 0 421.486 2.775 40 0 HFABRN Nn1c(SCC(=O)Nc2ccc(Br)cc2)nnc1-c1ccncc1 ZINC000016755866 558805608 /nfs/dbraw/zinc/80/56/08/558805608.db2.gz ADTINLGWFWYETE-UHFFFAOYSA-N 0 0 405.281 2.547 40 0 HFABRN CCOc1cccc(CNS(=O)(=O)c2ccc(OC)c(N3CCCC3=O)c2)c1 ZINC000038753661 558813975 /nfs/dbraw/zinc/81/39/75/558813975.db2.gz ZKQHCKCOUSIARR-UHFFFAOYSA-N 0 0 404.488 2.699 40 0 HFABRN CCS(=O)(=O)N(CC(=O)N[C@H]1CCCc2ccccc21)c1ccc2c(c1)OCO2 ZINC000038771922 558815183 /nfs/dbraw/zinc/81/51/83/558815183.db2.gz WDTKMOHLQODOPZ-SFHVURJKSA-N 0 0 416.499 2.765 40 0 HFABRN CS(=O)(=O)N1C[C@H](C(=O)NCCCc2ccc(Cl)cc2)Oc2ccccc21 ZINC000038772395 558815332 /nfs/dbraw/zinc/81/53/32/558815332.db2.gz OWAMAINZPAYQPA-GOSISDBHSA-N 0 0 408.907 2.616 40 0 HFABRN O=C(Cc1ccccc1)N1CCC(C(=O)N2CCN(Cc3ccccc3)CC2)CC1 ZINC000017083233 558815726 /nfs/dbraw/zinc/81/57/26/558815726.db2.gz PKSDLJZQJLNAFW-UHFFFAOYSA-N 0 0 405.542 2.812 40 0 HFABRN Cc1cc(O)c(C(c2ccc(N(C)C)cc2Cl)c2c(O)cc(C)[nH]c2=O)c(=O)[nH]1 ZINC000017105938 558822653 /nfs/dbraw/zinc/82/26/53/558822653.db2.gz FZZZOOBBEOWZKE-UHFFFAOYSA-N 0 0 415.877 2.991 40 0 HFABRN CCOC(=O)c1ccc(NC(=O)CN(CC)S(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000039985233 558823210 /nfs/dbraw/zinc/82/32/10/558823210.db2.gz VRTXGKADMADHTA-UHFFFAOYSA-N 0 0 420.487 2.521 40 0 HFABRN COC(=O)C(=C/c1ccc2c(c1)OCO2)/C(=C/c1ccc2c(c1)OCO2)C(=O)OC ZINC000017146827 558824086 /nfs/dbraw/zinc/82/40/86/558824086.db2.gz DUGIKHHFHOYBJI-BSHIDLADSA-N 0 0 410.378 2.957 40 0 HFABRN COc1ccccc1[C@H](C)NC(=O)c1ccc(OC)c(S(=O)(=O)NC(C)C)c1 ZINC000017971806 558828977 /nfs/dbraw/zinc/82/89/77/558828977.db2.gz AFMLFCHXZFGDNK-AWEZNQCLSA-N 0 0 406.504 2.882 40 0 HFABRN O=C(NCCSCc1ccco1)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000018075960 558830503 /nfs/dbraw/zinc/83/05/03/558830503.db2.gz OEORIQODMVDBNA-UHFFFAOYSA-N 0 0 408.545 2.730 40 0 HFABRN COC1CCN(c2cccc(-c3cc(NC(C)=O)nc(-n4nc(C)cc4C)n3)n2)CC1 ZINC000043200326 558832331 /nfs/dbraw/zinc/83/23/31/558832331.db2.gz JENSDTKXNVHSSN-UHFFFAOYSA-N 0 0 421.505 2.915 40 0 in-vivo HFABRN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCCSc1ccccc1 ZINC000018214541 558833790 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CCc1oc(C(=O)NCCn2nc3c(C)cc4ccc(C)cc4n3c2=O)cc1COC ZINC000019521503 558902893 /nfs/dbraw/zinc/90/28/93/558902893.db2.gz LDSVCQYNOGBYPM-UHFFFAOYSA-N 0 0 422.485 2.998 40 0 HFABRN CCc1cc(C(F)(F)F)n2nc([C@@H]3CCCCN3C(=O)[C@H]3CC(=O)N(C)C3)cc2n1 ZINC000019522199 558903549 /nfs/dbraw/zinc/90/35/49/558903549.db2.gz QZZVQNFOOSHYDN-WFASDCNBSA-N 0 0 423.439 2.842 40 0 HFABRN CCc1cc(C(F)(F)F)n2nc([C@H]3CCN(C(=O)c4cnc(OC)nc4)C3)cc2n1 ZINC000019522394 558903793 /nfs/dbraw/zinc/90/37/93/558903793.db2.gz JQSIAEUOYHMYIY-NSHDSACASA-N 0 0 420.395 2.739 40 0 HFABRN COc1ccc(OC)c(CC(=O)N2CCC[C@@H](c3cc4cccnc4c(=O)[nH]3)C2)c1 ZINC000019551344 558915563 /nfs/dbraw/zinc/91/55/63/558915563.db2.gz DDWXWRTYBOJLHX-MRXNPFEDSA-N 0 0 407.470 2.889 40 0 HFABRN COc1ccc(OC)c(S(=O)(=O)N2CCC(c3nnc4n3CCCCC4)CC2)c1 ZINC000019552598 558916017 /nfs/dbraw/zinc/91/60/17/558916017.db2.gz RRMPMWJDRJENND-UHFFFAOYSA-N 0 0 420.535 2.590 40 0 HFABRN COc1ccc([C@H](Cc2cc(=O)[nH]c(C3CCC3)n2)NC(=O)c2cnn(C)c2C)cc1 ZINC000019553422 558916571 /nfs/dbraw/zinc/91/65/71/558916571.db2.gz FAXCWBIFLULDBS-FQEVSTJZSA-N 0 0 421.501 2.802 40 0 HFABRN COc1ccc([C@@H](Cc2cc(=O)[nH]c(C3CCC3)n2)NC(=O)c2cnn(C)c2C)cc1 ZINC000019553419 558916637 /nfs/dbraw/zinc/91/66/37/558916637.db2.gz FAXCWBIFLULDBS-HXUWFJFHSA-N 0 0 421.501 2.802 40 0 HFABRN CCC[NH+]1CCC2(CC1)OC[C@@H](C(=O)[O-])N2C(=O)c1cccc(Br)c1 ZINC000071980335 558917189 /nfs/dbraw/zinc/91/71/89/558917189.db2.gz LFZOXEUPSOOWBK-HNNXBMFYSA-N 0 0 411.296 2.577 40 0 HFABRN COc1ccc(N2C[C@H](C(=O)NC[C@@H](C)n3nc(C)c(C)c3C)CC2=O)c(OC)c1 ZINC000019556247 558918726 /nfs/dbraw/zinc/91/87/26/558918726.db2.gz JWWJFQRLDRSJJE-CXAGYDPISA-N 0 0 414.506 2.556 40 0 HFABRN COc1ccc(OCC2CCN(C(=O)[C@H]3CC(=O)N(Cc4cccnc4)C3)CC2)cc1 ZINC000019556816 558919050 /nfs/dbraw/zinc/91/90/50/558919050.db2.gz KHBZQRWSENJFAJ-FQEVSTJZSA-N 0 0 423.513 2.756 40 0 HFABRN Cc1nn(CCC(=O)N2CCC(C(=O)c3ccc4c(c3)NC(=O)CO4)CC2)c(C)c1C ZINC000019557046 558919225 /nfs/dbraw/zinc/91/92/25/558919225.db2.gz WSKIHJUMTOKANA-UHFFFAOYSA-N 0 0 424.501 2.651 40 0 HFABRN COc1ccc(CC(=O)N2CCC[C@@H]2c2nc(-c3cccnc3)cc(=O)[nH]2)cc1OC ZINC000019560455 558921571 /nfs/dbraw/zinc/92/15/71/558921571.db2.gz DCGJSPQSJURATM-GOSISDBHSA-N 0 0 420.469 2.755 40 0 HFABRN Cc1nnsc1C(=O)N1CC[C@@H](c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C)N3)C1 ZINC000019563381 558923672 /nfs/dbraw/zinc/92/36/72/558923672.db2.gz FAYRSOGXCJIENB-HLUHBDAQSA-N 0 0 400.430 2.980 40 0 HFABRN Cc1noc2nc([C@H]3CCCN(C(=O)CCn4cncn4)C3)cc(C(F)(F)F)c12 ZINC000019563894 558923937 /nfs/dbraw/zinc/92/39/37/558923937.db2.gz MJOPDXVGFABFHL-LBPRGKRZSA-N 0 0 408.384 2.938 40 0 HFABRN CS(=O)(=O)c1ccc(CC(=O)N[C@H]2CC3(CCOCC3)Oc3ccccc32)cc1 ZINC000019573431 558931494 /nfs/dbraw/zinc/93/14/94/558931494.db2.gz KURGRTNYMHONQB-IBGZPJMESA-N 0 0 415.511 2.822 40 0 HFABRN COc1ccc(NC(=O)[C@@H]2[C@H](C(=O)NC(C)(C)C)[C@]2(C)C(=O)c2ccccc2N)cn1 ZINC000019576090 558932738 /nfs/dbraw/zinc/93/27/38/558932738.db2.gz YOGRXLXRBODIFB-YZZKKUAISA-N 0 0 424.501 2.661 40 0 HFABRN 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/nfs/dbraw/zinc/93/69/26/558936926.db2.gz PJMFVODFSLDHCM-UHFFFAOYSA-N 0 0 424.530 2.579 40 0 HFABRN COc1ccc(/C=C/CN2CCc3c(=O)[nH]c(N4C[C@@H](C)O[C@H](C)C4)nc3C2)cc1 ZINC000072335688 558936948 /nfs/dbraw/zinc/93/69/48/558936948.db2.gz BYOLZAXNZSWWLA-ADDHZHGLSA-N 0 0 410.518 2.876 40 0 HFABRN Cc1ccccc1C1=NO[C@H](CC2(C(=O)N3CC[C@@H](O)[C@H](C)C3)CCOCC2)C1 ZINC000072337731 558938052 /nfs/dbraw/zinc/93/80/52/558938052.db2.gz ITUQTDAALZWFSM-LVCYWYKZSA-N 0 0 400.519 2.904 40 0 HFABRN O=C(Cc1n[nH]c(=O)c2ccccc12)N1C[C@H]2CCC[C@@](O)(c3ccccc3F)[C@@H]2C1 ZINC000072340103 558938879 /nfs/dbraw/zinc/93/88/79/558938879.db2.gz SKJFYLALUXFHGU-ZCLJVBCSSA-N 0 0 421.472 2.751 40 0 HFABRN CNC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCCN(C(=O)[C@H]2CCCO2)C1 ZINC000019591058 558941371 /nfs/dbraw/zinc/94/13/71/558941371.db2.gz QIHQLLCFKHHPQI-ZJSXRUAMSA-N 0 0 407.514 2.825 40 0 HFABRN COc1ccccc1CNC(=O)c1cnc([C@H]2CCCN2Cc2cnn(C)c2)nc1C ZINC000072345398 558941882 /nfs/dbraw/zinc/94/18/82/558941882.db2.gz IEYVQNUCQKRCQJ-HXUWFJFHSA-N 0 0 420.517 2.794 40 0 HFABRN CNC(=O)[C@]1(Cc2cccc(-c3ccncc3)c2)CN(C(=O)C2CCCC2)CCO1 ZINC000019591795 558942415 /nfs/dbraw/zinc/94/24/15/558942415.db2.gz LMQBNQOKFUKLKW-DEOSSOPVSA-N 0 0 407.514 2.825 40 0 HFABRN CNC(=O)[C@@]1(Cc2ccc(-c3cccnc3)cc2)CN(Cc2cccnc2)CCO1 ZINC000019591920 558942660 /nfs/dbraw/zinc/94/26/60/558942660.db2.gz MIFJGUDQVDGMHA-XMMPIXPASA-N 0 0 402.498 2.703 40 0 HFABRN CNC(=O)[C@@]1(Cc2cccc(-c3cccnc3)c2)CN(Cc2ccncc2)CCO1 ZINC000019591926 558942826 /nfs/dbraw/zinc/94/28/26/558942826.db2.gz JQJUPSGKDFRXSJ-XMMPIXPASA-N 0 0 402.498 2.703 40 0 HFABRN Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCC[C@H](C)C4)[nH]c(=O)c32)cc1C ZINC000040388904 558947297 /nfs/dbraw/zinc/94/72/97/558947297.db2.gz AAWWQWHNRHXGHE-LRDDRELGSA-N 0 0 409.490 2.688 40 0 HFABRN Cc1cc(-c2cnc(N)nc2)cc([C@@H]2CCCN(C(=O)CN3CCCCCC3=O)C2)n1 ZINC000072353707 558950585 /nfs/dbraw/zinc/95/05/85/558950585.db2.gz MBFYPGSHTCFHAD-QGZVFWFLSA-N 0 0 422.533 2.538 40 0 HFABRN COCCNC(=O)c1cc([C@@H]2CN(Cc3ccccn3)CCO2)nc2ccccc21 ZINC000072354992 558952393 /nfs/dbraw/zinc/95/23/93/558952393.db2.gz SLGDQNRDNPVCOC-QFIPXVFZSA-N 0 0 406.486 2.580 40 0 HFABRN Cc1ccccc1N1C[C@H](C(=O)NCc2ccc(CN3CCCC3=O)cc2)CC1=O ZINC000019661576 558952683 /nfs/dbraw/zinc/95/26/83/558952683.db2.gz ZGNBDEBCKBLZEB-HXUWFJFHSA-N 0 0 405.498 2.787 40 0 HFABRN Cn1ccnc1C(=O)N1CC[C@@H](c2c3ccccc3sc2C(=O)N2CCOCC2)C1 ZINC000072356230 558953034 /nfs/dbraw/zinc/95/30/34/558953034.db2.gz RHGAJQZPEHOVSH-OAHLLOKOSA-N 0 0 424.526 2.737 40 0 HFABRN CC(=O)N1CCCCC[C@@H]1Cc1c2ccccc2sc1C(=O)N1CCNC(=O)C1 ZINC000072370827 558957209 /nfs/dbraw/zinc/95/72/09/558957209.db2.gz HHURBTKMEWPOIJ-MRXNPFEDSA-N 0 0 413.543 2.807 40 0 HFABRN COCc1ccc(OC)c(CN2CCO[C@@H](c3ncncc3-c3ccnc(N)c3)C2)c1 ZINC000072370868 558957394 /nfs/dbraw/zinc/95/73/94/558957394.db2.gz QZDJDWYFYNXAMV-OAQYLSRUSA-N 0 0 421.501 2.849 40 0 HFABRN COc1ccc(CN2CCO[C@H](c3ncncc3-c3ccnc(N)c3)C2)c(OC)c1 ZINC000072370849 558957457 /nfs/dbraw/zinc/95/74/57/558957457.db2.gz GGZMJSAKKOXIDQ-FQEVSTJZSA-N 0 0 407.474 2.712 40 0 HFABRN Cc1ncc(C(=O)N2CCCC[C@@H]2c2nc3c(c(C)n2)CC(=O)N3CC2CC2)c(C)n1 ZINC000072371882 558959290 /nfs/dbraw/zinc/95/92/90/558959290.db2.gz CCUMTCJMULWQLF-LJQANCHMSA-N 0 0 420.517 2.858 40 0 HFABRN CC(=O)N1CCC[C@@H](c2ccccc2CC2(C(N)=O)CCN(C(=O)C(C)C)CC2)C1 ZINC000072372438 558959950 /nfs/dbraw/zinc/95/99/50/558959950.db2.gz DPBXKQYBNJRLOU-HXUWFJFHSA-N 0 0 413.562 2.705 40 0 HFABRN COCC(=O)N1CCC[C@@H]1c1nc(C)c2c(n1)N(Cc1cccc(F)c1)C(=O)CC2 ZINC000019696197 558964486 /nfs/dbraw/zinc/96/44/86/558964486.db2.gz QKJSLVOEMIKUBZ-GOSISDBHSA-N 0 0 412.465 2.713 40 0 HFABRN COc1ccc(S(=O)(=O)N2CCC[C@@H]2c2cncc(Nc3ncccn3)n2)cc1 ZINC000072376289 558965345 /nfs/dbraw/zinc/96/53/45/558965345.db2.gz WDSNIXXSLAVICQ-QGZVFWFLSA-N 0 0 412.475 2.545 40 0 HFABRN COC(=O)CCC/C=C\C[C@H]1[C@@H](/C=C/[C@H](O)COc2ccccc2)[C@H](O)C[C@@H]1O ZINC000064859191 558966479 /nfs/dbraw/zinc/96/64/79/558966479.db2.gz HYOHKXGCEWCBKE-IZWODODVSA-N 0 0 404.503 2.630 40 0 in-vitro HFABRN Cn1cnc(S(=O)(=O)N2CCCC[C@H]2c2nc(N)ncc2-c2ccc(F)cc2)c1 ZINC000072377246 558966730 /nfs/dbraw/zinc/96/67/30/558966730.db2.gz PQAQLKQCAKWCBJ-INIZCTEOSA-N 0 0 416.482 2.514 40 0 HFABRN CNc1cc([C@H]2CC(=O)N(c3ccc(F)cc3)C2)nc(CN(C)C2CCOCC2)n1 ZINC000019700831 558967170 /nfs/dbraw/zinc/96/71/70/558967170.db2.gz VPUPMRCHPYKUOM-HNNXBMFYSA-N 0 0 413.497 2.789 40 0 HFABRN COCC(=O)N1CCCC[C@@H]1c1nc(C)c2c(n1)N(CC1CCOCC1)CCC2 ZINC000019706220 558968682 /nfs/dbraw/zinc/96/86/82/558968682.db2.gz WICQMWAURWLKFQ-LJQANCHMSA-N 0 0 402.539 2.664 40 0 HFABRN O=C(Cc1c[nH]c2ccccc12)N1CCCC[C@@H]1c1cc(C(=O)N2CCOCC2)n[nH]1 ZINC000072380738 558968977 /nfs/dbraw/zinc/96/89/77/558968977.db2.gz BGYSYILZQAFGQG-OAQYLSRUSA-N 0 0 421.501 2.660 40 0 HFABRN CCc1nccn1C[C@@H](C)C(=O)N1CCC(c2nc(C)c3c(n2)N(C)CCC3)CC1 ZINC000019706692 558969077 /nfs/dbraw/zinc/96/90/77/558969077.db2.gz UBZMQUVNVDHYNR-MRXNPFEDSA-N 0 0 410.566 2.969 40 0 HFABRN CNC(=O)[C@@]1(Cc2cccc(-c3ccccc3)c2)CN(C(=O)c2ccccn2)CCO1 ZINC000072389099 558969596 /nfs/dbraw/zinc/96/95/96/558969596.db2.gz FYHAOBAWEHJBAM-RUZDIDTESA-N 0 0 415.493 2.949 40 0 HFABRN O=C(C[C@@H]1NC(=O)c2ccccc21)NCCn1cc(-c2ccncc2)c(C2CC2)n1 ZINC000072390510 558970630 /nfs/dbraw/zinc/97/06/30/558970630.db2.gz OVOHFYDDKKQJJE-FQEVSTJZSA-N 0 0 401.470 2.814 40 0 HFABRN CN(C)C(=O)[C@@]1(Cc2cccc(-c3ccccc3)c2)CCCN(C(=O)CCC(N)=O)C1 ZINC000072391288 558971351 /nfs/dbraw/zinc/97/13/51/558971351.db2.gz XPPBMVHVAISNJB-RUZDIDTESA-N 0 0 421.541 2.859 40 0 HFABRN CNc1nc([C@H]2CCCN(C(=O)CCc3ccc(OC)cc3)C2)nc2c1CN(C)CC2 ZINC000019710603 558972938 /nfs/dbraw/zinc/97/29/38/558972938.db2.gz SFRNHFFVSBWAIV-SFHVURJKSA-N 0 0 423.561 2.854 40 0 HFABRN O=C(c1ccc2c(c1)OCCO2)N1CCC[C@@H](c2cc(C(F)F)n3ncnc3n2)C1 ZINC000072395318 558974072 /nfs/dbraw/zinc/97/40/72/558974072.db2.gz IMIZTVUMHQVPBT-CYBMUJFWSA-N 0 0 415.400 2.853 40 0 HFABRN COc1ccc(OCC(=O)N2CCC[C@@H](c3cc(C(F)F)n4ncnc4n3)C2)cc1 ZINC000072395336 558974249 /nfs/dbraw/zinc/97/42/49/558974249.db2.gz NRNARDXLWJZJHT-CYBMUJFWSA-N 0 0 417.416 2.856 40 0 HFABRN O=C(NC[C@@H](c1cccnc1)N1CCOCC1)c1cc(-n2cccn2)ccc1Cl ZINC000019715158 558975690 /nfs/dbraw/zinc/97/56/90/558975690.db2.gz KJQCHDRSDGYJBT-FQEVSTJZSA-N 0 0 411.893 2.724 40 0 HFABRN COc1cccc([C@H]2CCCN2C(=O)c2cc(OC)c(OC)cc2-n2cnnn2)c1 ZINC000019716983 558979343 /nfs/dbraw/zinc/97/93/43/558979343.db2.gz SRNUUYLCUPPUCI-QGZVFWFLSA-N 0 0 409.446 2.665 40 0 HFABRN COc1cc(OC)nc(N2CCC[C@@]3(CCC(=O)N3Cc3c(C)noc3C)CC2)n1 ZINC000585099875 559024463 /nfs/dbraw/zinc/02/44/63/559024463.db2.gz OFCXWMXMLVFMQA-OAQYLSRUSA-N 0 0 415.494 2.650 40 0 HFABRN CN(C)C(=O)CN1c2cccnc2-n2cccc2[C@@]12CCN(C(=O)c1cccs1)C2 ZINC000585107355 559027825 /nfs/dbraw/zinc/02/78/25/559027825.db2.gz TXRTYLJVAOIWHM-QFIPXVFZSA-N 0 0 421.526 2.583 40 0 HFABRN COCCN1c2cccnc2-n2cccc2[C@]12CCN(C(=O)c1c(C)noc1C)C2 ZINC000585107027 559029384 /nfs/dbraw/zinc/02/93/84/559029384.db2.gz OOUIFOGWJDDVDA-JOCHJYFZSA-N 0 0 407.474 2.685 40 0 HFABRN COc1cccc(CN2C[C@H]3CN(S(=O)(=O)c4cc(F)cc(F)c4)CC[C@@H]32)c1 ZINC000585107923 559029739 /nfs/dbraw/zinc/02/97/39/559029739.db2.gz FQPNANSMZMTTCH-YWZLYKJASA-N 0 0 408.470 2.868 40 0 HFABRN COc1cccc(C(=O)NC[C@@H]2OCCc3cn(Cc4ccccc4)nc32)c1OC ZINC000585111625 559030585 /nfs/dbraw/zinc/03/05/85/559030585.db2.gz YLERAOLPBHCIOX-FQEVSTJZSA-N 0 0 407.470 2.992 40 0 HFABRN CCCCN(C)C(=O)c1ncn2c1CN(CC1CC1)S(=O)(=O)c1ccccc1-2 ZINC000096037551 559091399 /nfs/dbraw/zinc/09/13/99/559091399.db2.gz WVHIJUUDTYKETA-UHFFFAOYSA-N 0 0 402.520 2.659 40 0 HFABRN CCS(=O)(=O)N1CCC2(CC1)C[C@@H](CC(=O)NC1CCC1)c1ccccc1O2 ZINC000096053408 559093432 /nfs/dbraw/zinc/09/34/32/559093432.db2.gz WWRXIBUBTSEPGF-MRXNPFEDSA-N 0 0 406.548 2.796 40 0 HFABRN CC(C)CS(=O)(=O)N1CCC2(CC1)c1ncc(-c3cccc(F)c3)n1CCN2C ZINC000096144950 559096978 /nfs/dbraw/zinc/09/69/78/559096978.db2.gz YILPUAQHOJERIK-UHFFFAOYSA-N 0 0 420.554 2.912 40 0 HFABRN O=C(NCc1ccccn1)c1ccc2c(c1)[C@@H](c1nnc[nH]1)CN2C(=O)c1ccccc1 ZINC000096156487 559100498 /nfs/dbraw/zinc/10/04/98/559100498.db2.gz YHFOMXBCRAVMBE-FQEVSTJZSA-N 0 0 424.464 2.922 40 0 HFABRN Cc1ccc(C(=O)N2CCC[C@]3(CC(C(=O)N(C)Cc4ccccn4)=NO3)C2)cc1F ZINC000096225246 559102343 /nfs/dbraw/zinc/10/23/43/559102343.db2.gz RHAHOUZXHVKUHU-QHCPKHFHSA-N 0 0 424.476 2.939 40 0 HFABRN COc1cccc(CC(=O)N2CCC3(CC2)C(=O)N(C)CCN3Cc2ccccc2)c1 ZINC000096230327 559102887 /nfs/dbraw/zinc/10/28/87/559102887.db2.gz NHLIWXCUQDMSIO-UHFFFAOYSA-N 0 0 421.541 2.573 40 0 HFABRN CN1CC(=O)N(c2cccc(F)c2)C[C@@]12CCN(C(=O)c1ccc(F)c(F)c1)C2 ZINC000096237946 559103200 /nfs/dbraw/zinc/10/32/00/559103200.db2.gz RXMMZBNQJZZVBZ-NRFANRHFSA-N 0 0 403.404 2.667 40 0 HFABRN Cc1cccc(S(=O)(=O)N2CCC3(CCn4c(-c5cnn(C)c5)cnc43)CC2)c1 ZINC000096243504 559104771 /nfs/dbraw/zinc/10/47/71/559104771.db2.gz SURSZWUGCGEZOZ-UHFFFAOYSA-N 0 0 411.531 2.718 40 0 HFABRN Cn1cc(-c2cnc3n2CCC32CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cn1 ZINC000096243508 559104797 /nfs/dbraw/zinc/10/47/97/559104797.db2.gz GTAMMZCIDQMEDF-UHFFFAOYSA-N 0 0 415.494 2.549 40 0 HFABRN COc1cccc(CNC(=O)[C@@H]2C[C@]3(CO2)CN(C(=O)N(C)C)c2ccccc23)c1 ZINC000096262908 559106875 /nfs/dbraw/zinc/10/68/75/559106875.db2.gz GCKIZCKQKHXQLT-NZQKXSOJSA-N 0 0 409.486 2.540 40 0 HFABRN COc1cccc(CNC(=O)[C@@H]2C[C@@]3(CO2)CN(C(=O)N(C)C)c2ccccc23)c1 ZINC000096262909 559106916 /nfs/dbraw/zinc/10/69/16/559106916.db2.gz GCKIZCKQKHXQLT-REWPJTCUSA-N 0 0 409.486 2.540 40 0 HFABRN CCN1CC2(CCN(C(=O)NCC(C)C)CC2)COc2ccccc2S1(=O)=O ZINC000096263494 559107205 /nfs/dbraw/zinc/10/72/05/559107205.db2.gz AESTYMASTPFOBU-UHFFFAOYSA-N 0 0 409.552 2.537 40 0 HFABRN O=C(c1ccc(=O)[nH]n1)N1CCC[C@H](c2ccc(-c3noc(C(F)(F)F)n3)cn2)C1 ZINC000585290186 559122778 /nfs/dbraw/zinc/12/27/78/559122778.db2.gz NZSXFOCVFXLBHS-NSHDSACASA-N 0 0 420.351 2.666 40 0 HFABRN CCN1C[C@@]2(CC1=O)CN(Cc1ccncc1)CCN(C(=O)Nc1ccccc1)C2 ZINC000097952821 559124919 /nfs/dbraw/zinc/12/49/19/559124919.db2.gz VQHIQHIGEPIVOE-HSZRJFAPSA-N 0 0 407.518 2.670 40 0 HFABRN CNS(=O)(=O)c1ccc(C(=O)/N=c2\sccn2Cc2ccc(C)cc2)cc1 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568504576 /nfs/dbraw/zinc/50/45/76/568504576.db2.gz ADFDQTVCNCHCCT-JKSUJKDBSA-N 0 0 408.495 2.872 40 0 HFABRN CCOC(=O)c1cccc(NC(=O)[C@@H](C)N(c2ccccc2F)S(C)(=O)=O)c1 ZINC000220315329 568504591 /nfs/dbraw/zinc/50/45/91/568504591.db2.gz HYXGMBCQOAZFTN-CYBMUJFWSA-N 0 0 408.451 2.796 40 0 HFABRN CCOC(=O)C1CCN(C(=O)[C@H](CC)N(c2cc(C)ccc2C)S(C)(=O)=O)CC1 ZINC000220541530 568506691 /nfs/dbraw/zinc/50/66/91/568506691.db2.gz ACQCQZDBZRNSRB-SFHVURJKSA-N 0 0 424.563 2.650 40 0 HFABRN CC[C@H](C(=O)NCCOc1ccc(C)cc1)N(c1ccccc1F)S(C)(=O)=O ZINC000220602105 568507257 /nfs/dbraw/zinc/50/72/57/568507257.db2.gz CGHGTTKMOOZOQL-GOSISDBHSA-N 0 0 408.495 2.874 40 0 HFABRN CC[C@@H](C(=O)NCc1ccccc1OC)N(c1ccc(OC)cc1)S(C)(=O)=O ZINC000220642182 568507823 /nfs/dbraw/zinc/50/78/23/568507823.db2.gz XTRCIKPXGBVRIE-SFHVURJKSA-N 0 0 406.504 2.565 40 0 HFABRN CC[C@H](C(=O)Nc1ccc(OC)cc1OC)N(c1ccc(OC)cc1)S(C)(=O)=O ZINC000220638955 568507847 /nfs/dbraw/zinc/50/78/47/568507847.db2.gz BNVDCAMKGVFLNB-GOSISDBHSA-N 0 0 422.503 2.896 40 0 HFABRN CN(c1ccc(C(=O)NCCSCc2ccco2)c(Cl)c1)S(C)(=O)=O ZINC000222513625 568517029 /nfs/dbraw/zinc/51/70/29/568517029.db2.gz XKOCBHXYUMEXQC-UHFFFAOYSA-N 0 0 402.925 2.992 40 0 HFABRN CN(CCCNC(=O)c1ccc(N(C)S(C)(=O)=O)cc1Cl)c1ccccc1 ZINC000222525723 568517431 /nfs/dbraw/zinc/51/74/31/568517431.db2.gz GHBFLYMFUANIDG-UHFFFAOYSA-N 0 0 409.939 2.992 40 0 HFABRN COC(=O)c1cccc(NC(=O)c2cccc(N3CCCCS3(=O)=O)c2)c1C ZINC000222553869 568518173 /nfs/dbraw/zinc/51/81/73/568518173.db2.gz JNMFUPDBJKBYPA-UHFFFAOYSA-N 0 0 402.472 2.964 40 0 HFABRN CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1cc(OC)cc(OC)c1 ZINC000222570914 568518752 /nfs/dbraw/zinc/51/87/52/568518752.db2.gz SBYLOXJJEKRBGM-CQSZACIVSA-N 0 0 420.893 2.899 40 0 HFABRN COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1 ZINC000222624119 568521135 /nfs/dbraw/zinc/52/11/35/568521135.db2.gz CRNCKYLWKQZPKN-HUUCEWRRSA-N 0 0 406.504 2.736 40 0 HFABRN COc1ccc(N(C)C(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 ZINC000222640514 568521930 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40 0 HFABRN COc1ccc(OCC(=O)N2CCC[C@H]([C@@H]3C[C@H](C(F)F)n4ncnc4N3)C2)cc1 ZINC000012182055 558343229 /nfs/dbraw/zinc/34/32/29/558343229.db2.gz XUVKMHZMWNVNTN-RRQGHBQHSA-N 0 0 421.448 2.595 40 0 HFABRN CC(C)c1cc(C(F)(F)F)n2nc([C@H]3CCN(C(=O)[C@@H]4CC(=O)N(C)C4)C3)cc2n1 ZINC000012220419 558355472 /nfs/dbraw/zinc/35/54/72/558355472.db2.gz OTJDCWOCHNULOA-QWHCGFSZSA-N 0 0 423.439 2.666 40 0 HFABRN CC1(C)Cc2nc(-c3cccnc3)ncc2[C@H](NC(=O)[C@@H]2CC(=O)N(C3CC3)C2)C1 ZINC000012221069 558355921 /nfs/dbraw/zinc/35/59/21/558355921.db2.gz YKKWMSAYDHZETP-DNVCBOLYSA-N 0 0 405.502 2.679 40 0 HFABRN COc1nn(CC(=O)N[C@@H](Cc2ccsc2)c2ccccn2)c(=O)c2ccccc12 ZINC000012229294 558357573 /nfs/dbraw/zinc/35/75/73/558357573.db2.gz YABXYBVOTQVENG-IBGZPJMESA-N 0 0 420.494 2.962 40 0 HFABRN Cc1cccnc1[C@@H](Cc1ccsc1)NC(=O)[C@@H](C)N1C(=O)NC(C)(C)C1=O ZINC000012229599 558357632 /nfs/dbraw/zinc/35/76/32/558357632.db2.gz NHXJZKKMKRDWHY-UKRRQHHQSA-N 0 0 400.504 2.570 40 0 HFABRN CCn1c2nc(-c3ccc(C)s3)nc(C(N)=O)c2n(CC(=O)c2ccccc2)c1=O ZINC000012236913 558358916 /nfs/dbraw/zinc/35/89/16/558358916.db2.gz UUIGIOQOQJLGPR-UHFFFAOYSA-N 0 0 421.482 2.632 40 0 HFABRN Cn1ccc([C@@H]2c3cc4c(cc3CCN2S(=O)(=O)c2ccccc2F)OCO4)n1 ZINC000012290851 558365668 /nfs/dbraw/zinc/36/56/68/558365668.db2.gz NGXPSMFVDXKUQU-FQEVSTJZSA-N 0 0 415.446 2.624 40 0 HFABRN CS(=O)(=O)N1C[C@@H](C(=O)NCCCc2ccccc2Cl)Oc2ccccc21 ZINC000020453701 558367723 /nfs/dbraw/zinc/36/77/23/558367723.db2.gz WCMACZKOEQDJQT-SFHVURJKSA-N 0 0 408.907 2.616 40 0 HFABRN CC[C@@H](Oc1cccc(C)c1C)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000020455117 558368985 /nfs/dbraw/zinc/36/89/85/558368985.db2.gz OLSLYEROBAUBFJ-HXUWFJFHSA-N 0 0 416.543 2.994 40 0 HFABRN COc1ccc([C@H](C)NS(=O)(=O)c2ccc(OC)c(C(=O)N3CCCC3)c2)cc1 ZINC000020460697 558372856 /nfs/dbraw/zinc/37/28/56/558372856.db2.gz IKMAIPPXPKRETL-HNNXBMFYSA-N 0 0 418.515 2.979 40 0 HFABRN COc1ccc(CC(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2OC)cc1 ZINC000020461821 558373350 /nfs/dbraw/zinc/37/33/50/558373350.db2.gz MIUJCJUHCQYPGW-UHFFFAOYSA-N 0 0 404.488 2.670 40 0 HFABRN CCOc1ccccc1CNC(=O)c1ccc(CS(=O)(=O)N2CCCC2)cc1 ZINC000020484223 558376018 /nfs/dbraw/zinc/37/60/18/558376018.db2.gz GUIIFHICDXHJEQ-UHFFFAOYSA-N 0 0 402.516 2.941 40 0 HFABRN Cc1ccc(N2CCCC2=O)cc1S(=O)(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000012362146 558387122 /nfs/dbraw/zinc/38/71/22/558387122.db2.gz FEYSJGVFFDBGQZ-IBGZPJMESA-N 0 0 413.543 2.675 40 0 HFABRN CC[C@@H](Oc1ccc(OC)cc1)C(=O)N1CCC[C@@H](c2nn(C)c3nccnc23)C1 ZINC000012365175 558387607 /nfs/dbraw/zinc/38/76/07/558387607.db2.gz MYEIJPIROYDMBA-CRAIPNDOSA-N 0 0 409.490 2.936 40 0 HFABRN CCOc1ccc(O[C@@H](C)C(=O)N2CCC[C@@H](c3nn(C)c4nccnc34)C2)cc1 ZINC000012365149 558387630 /nfs/dbraw/zinc/38/76/30/558387630.db2.gz IKFKMWHFYRLMKF-JKSUJKDBSA-N 0 0 409.490 2.936 40 0 HFABRN Nc1nc(N2CCCCC2)nc2c1[C@@H](C(=O)Nc1cccc(Cl)c1)CC(=O)N2 ZINC000020674020 558399094 /nfs/dbraw/zinc/39/90/94/558399094.db2.gz PPBZVZUCHRCIBA-ZDUSSCGKSA-N 0 0 400.870 2.767 40 0 HFABRN CCOC(=O)[C@@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@@H]1c1ccc(F)cc1 ZINC000020802045 558415548 /nfs/dbraw/zinc/41/55/48/558415548.db2.gz ISZYUAGEEKAYAY-RBUKOAKNSA-N 0 0 411.433 2.937 40 0 HFABRN CCSC(=O)CCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21 ZINC000022051920 558459908 /nfs/dbraw/zinc/45/99/08/558459908.db2.gz XIAMBPFWKFYJOF-ZQIUZPCESA-N 0 0 401.598 2.669 40 0 in-vitro HFABRN CC(C)NS(=O)(=O)c1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000022227734 558467499 /nfs/dbraw/zinc/46/74/99/558467499.db2.gz FLXVCBMWSLTQDP-UHFFFAOYSA-N 0 0 416.952 2.548 40 0 HFABRN COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CCCC2)cc1Cl ZINC000022246724 558472252 /nfs/dbraw/zinc/47/22/52/558472252.db2.gz WESAMPLHSGVQGU-GOSISDBHSA-N 0 0 422.934 2.861 40 0 HFABRN CCN(CC)C(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cc(C)ccc1OC ZINC000022246826 558472314 /nfs/dbraw/zinc/47/23/14/558472314.db2.gz XURNHKUHOHWMON-SFHVURJKSA-N 0 0 404.532 2.762 40 0 HFABRN CCCNC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(OCC)c(C)c1 ZINC000022268063 558475148 /nfs/dbraw/zinc/47/51/48/558475148.db2.gz PBOWMQQOLAKRMN-LJQANCHMSA-N 0 0 404.532 2.810 40 0 HFABRN CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NCC(C)C)cc1 ZINC000022271147 558475297 /nfs/dbraw/zinc/47/52/97/558475297.db2.gz NOSNNYQHJVGHLD-HXUWFJFHSA-N 0 0 404.532 2.747 40 0 HFABRN COc1ccc(CCCNC(=O)CN(c2ccc(C)cc2C)S(C)(=O)=O)cc1 ZINC000022328205 558479021 /nfs/dbraw/zinc/47/90/21/558479021.db2.gz ABMJHZMUDKBPRQ-UHFFFAOYSA-N 0 0 404.532 2.827 40 0 HFABRN COc1cccc(CCCNC(=O)CN(c2ccc(C)cc2C)S(C)(=O)=O)c1 ZINC000022328202 558479042 /nfs/dbraw/zinc/47/90/42/558479042.db2.gz XVJCRPKRJUIDBR-UHFFFAOYSA-N 0 0 404.532 2.827 40 0 HFABRN Cc1ccc(N(CC(=O)N[C@H](C)COc2ccccc2C)S(C)(=O)=O)c(C)c1 ZINC000022328385 558479063 /nfs/dbraw/zinc/47/90/63/558479063.db2.gz LDUIGCYCIVKTTI-GOSISDBHSA-N 0 0 404.532 2.962 40 0 HFABRN COc1cccc(CCCNC(=O)CN(c2cc(C)cc(C)c2)S(C)(=O)=O)c1 ZINC000022329120 558479251 /nfs/dbraw/zinc/47/92/51/558479251.db2.gz UNYNOGPREABXOG-UHFFFAOYSA-N 0 0 404.532 2.827 40 0 HFABRN CCc1ccccc1N(CC(=O)N[C@@H](C)COc1ccc(C)cc1)S(C)(=O)=O ZINC000022329949 558479485 /nfs/dbraw/zinc/47/94/85/558479485.db2.gz ZSOISNRLTRXNGB-KRWDZBQOSA-N 0 0 404.532 2.907 40 0 HFABRN Cc1ccccc1OC[C@@H](C)NC(=O)CN(c1ccccc1Cl)S(C)(=O)=O ZINC000022330629 558479945 /nfs/dbraw/zinc/47/99/45/558479945.db2.gz XUAABWASIVIFLW-OAHLLOKOSA-N 0 0 410.923 2.998 40 0 HFABRN Cc1ccc(OC[C@H](C)NC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 ZINC000022331322 558480068 /nfs/dbraw/zinc/48/00/68/558480068.db2.gz DODDDXHHVNUOMI-HNNXBMFYSA-N 0 0 410.923 2.998 40 0 HFABRN COc1ccc(N(CC(=O)NCCCc2ccc(Cl)cc2)S(C)(=O)=O)cc1 ZINC000022332495 558480313 /nfs/dbraw/zinc/48/03/13/558480313.db2.gz QFYVVNIOXHILSZ-UHFFFAOYSA-N 0 0 410.923 2.864 40 0 HFABRN COc1ccc(OC)c(N(CC(=O)N[C@@H](C)c2cc(C)ccc2C)S(C)(=O)=O)c1 ZINC000022333804 558480875 /nfs/dbraw/zinc/48/08/75/558480875.db2.gz CFNWNYRYHSFIGN-INIZCTEOSA-N 0 0 420.531 2.964 40 0 HFABRN Cc1ccc(OC[C@@H](C)NC(=O)CN(c2c(C)cccc2C)S(C)(=O)=O)cc1 ZINC000022338670 558482118 /nfs/dbraw/zinc/48/21/18/558482118.db2.gz VCSSVHDWIMXUJC-GOSISDBHSA-N 0 0 404.532 2.962 40 0 HFABRN Cc1ccccc1OC[C@@H](C)NC(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000022373268 558484048 /nfs/dbraw/zinc/48/40/48/558484048.db2.gz KIVFWZCGLOTXNQ-CQSZACIVSA-N 0 0 412.458 2.623 40 0 HFABRN Cc1ccccc1OC[C@H](C)NC(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000022373263 558484053 /nfs/dbraw/zinc/48/40/53/558484053.db2.gz KIVFWZCGLOTXNQ-AWEZNQCLSA-N 0 0 412.458 2.623 40 0 HFABRN COC(=O)c1ccccc1NC(=O)CN(c1ccc(OC(C)C)cc1)S(C)(=O)=O ZINC000022381679 558484691 /nfs/dbraw/zinc/48/46/91/558484691.db2.gz WIKMKYILILTIAJ-UHFFFAOYSA-N 0 0 420.487 2.665 40 0 HFABRN CC(C)c1ccccc1N(CC(=O)N1CCN(c2ccccc2)CC1)S(C)(=O)=O ZINC000022384052 558485086 /nfs/dbraw/zinc/48/50/86/558485086.db2.gz WIFMDLRMZSCROD-UHFFFAOYSA-N 0 0 415.559 2.925 40 0 HFABRN COC(=O)c1cccc(NC(=O)CN(c2c(C)cc(C)cc2C)S(C)(=O)=O)c1 ZINC000022395642 558486370 /nfs/dbraw/zinc/48/63/70/558486370.db2.gz QTKOPAHHJOIIJR-UHFFFAOYSA-N 0 0 404.488 2.803 40 0 HFABRN CN(C)S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(Br)c(Cl)c2)C1 ZINC000022521520 558494758 /nfs/dbraw/zinc/49/47/58/558494758.db2.gz LXBMLGFPOHMKCW-JTQLQIEISA-N 0 0 424.748 2.559 40 0 HFABRN COc1cc2c(cc1OC)CN([C@@H]1CC(=O)N(c3ccc(F)c(F)c3)C1=O)CC2 ZINC000022609435 558501356 /nfs/dbraw/zinc/50/13/56/558501356.db2.gz VPMGBYFSEWIQPG-QGZVFWFLSA-N 0 0 402.397 2.672 40 0 HFABRN COc1ccc([C@H]2[C@@H](C(=O)OC(C)C)C(=O)C[C@@](C)(O)[C@@H]2C(=O)OC(C)C)cc1 ZINC000013372559 558531002 /nfs/dbraw/zinc/53/10/02/558531002.db2.gz IMKXAEVDHUDFDQ-ZVVDCOBXSA-N 0 0 406.475 2.638 40 0 HFABRN CCN(CC(=O)Nc1cc(C)ccc1OC)S(=O)(=O)c1cc(F)ccc1OC ZINC000013581220 558544791 /nfs/dbraw/zinc/54/47/91/558544791.db2.gz KBZINILQSIQOOJ-UHFFFAOYSA-N 0 0 410.467 2.801 40 0 HFABRN COc1ccc(C(=O)NCCCOC(C)C)cc1S(=O)(=O)N1CCCCCC1 ZINC000013581669 558544925 /nfs/dbraw/zinc/54/49/25/558544925.db2.gz CJCYVXWIPPAGOB-UHFFFAOYSA-N 0 0 412.552 2.805 40 0 HFABRN COc1cc(C(=O)N[C@H](C)CCc2ccccc2)c(N(C)S(C)(=O)=O)cc1OC ZINC000013582731 558545300 /nfs/dbraw/zinc/54/53/00/558545300.db2.gz NVONOLHXRBOAQB-OAHLLOKOSA-N 0 0 420.531 2.851 40 0 HFABRN CC(C)c1ccc([C@H]2NC3=NCN(n4cnnc4)CN3c3nc4ccccc4n32)cc1 ZINC000013638196 558555086 /nfs/dbraw/zinc/55/50/86/558555086.db2.gz MEMRPCTVRUOWSP-FQEVSTJZSA-N 0 0 413.489 2.631 40 0 HFABRN CCOC(=O)c1ccc(NC(=O)CN(c2ccc(C)cc2)S(C)(=O)=O)c(C)c1 ZINC000013669530 558561075 /nfs/dbraw/zinc/56/10/75/558561075.db2.gz KMZQUYWGLCOFNF-UHFFFAOYSA-N 0 0 404.488 2.885 40 0 HFABRN COc1ccc(N(CC(=O)NCCCc2cccc(C)c2)S(C)(=O)=O)c(OC)c1 ZINC000013673230 558563364 /nfs/dbraw/zinc/56/33/64/558563364.db2.gz IWBMUBIDZXPKGC-UHFFFAOYSA-N 0 0 420.531 2.527 40 0 HFABRN CCS(=O)(=O)N1C[C@H](C(=O)N[C@@H](C)CCc2ccccc2)Oc2ccccc21 ZINC000013680469 558566419 /nfs/dbraw/zinc/56/64/19/558566419.db2.gz HVIMQYOVWBBISL-OXJNMPFZSA-N 0 0 402.516 2.741 40 0 HFABRN O=C(CCc1ccc2c(c1)OCCO2)Nc1ccccc1C(=O)NC[C@H]1CCCO1 ZINC000026414970 558660634 /nfs/dbraw/zinc/66/06/34/558660634.db2.gz OCRGMBAUMMSWHL-QGZVFWFLSA-N 0 0 410.470 2.938 40 0 HFABRN COC(=O)c1ccc(Cl)c(S(=O)(=O)NCCc2ccc(OC)c(OC)c2)c1 ZINC000027938714 558684881 /nfs/dbraw/zinc/68/48/81/558684881.db2.gz SBUWAGDUAMCTHM-UHFFFAOYSA-N 0 0 413.879 2.665 40 0 HFABRN COc1ccc(S[C@@H](C)C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 ZINC000015028492 558703790 /nfs/dbraw/zinc/70/37/90/558703790.db2.gz QRSAAUXUSAVEOE-INIZCTEOSA-N 0 0 420.556 2.709 40 0 HFABRN Cc1ccc(C(=O)NCC2(c3ccccc3)CCOCC2)cc1NS(C)(=O)=O ZINC000029343209 558713999 /nfs/dbraw/zinc/71/39/99/558713999.db2.gz UDWPQXVYPKRVLE-UHFFFAOYSA-N 0 0 402.516 2.845 40 0 HFABRN COC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)c1 ZINC000015245121 558729742 /nfs/dbraw/zinc/72/97/42/558729742.db2.gz ICAUIMYYDOTHMA-UHFFFAOYSA-N 0 0 402.472 2.882 40 0 HFABRN Cc1ccc(C(=O)N(C)Cc2ccc(Cl)cc2)cc1S(=O)(=O)N1CCOCC1 ZINC000015439690 558740295 /nfs/dbraw/zinc/74/02/95/558740295.db2.gz MQKDGUCWKGINKU-UHFFFAOYSA-N 0 0 422.934 2.942 40 0 HFABRN COc1ccc(N(CC(=O)N[C@H](C)c2ccc(C)cc2)S(C)(=O)=O)c(OC)c1 ZINC000030856231 558741081 /nfs/dbraw/zinc/74/10/81/558741081.db2.gz LSQDHYWQPBRMIC-OAHLLOKOSA-N 0 0 406.504 2.656 40 0 HFABRN O=C(Nc1ccccc1C(=O)NC[C@@H]1CCCO1)c1ccc(N2CCCC2=O)cc1 ZINC000015638632 558747201 /nfs/dbraw/zinc/74/72/01/558747201.db2.gz LBWYMUSVESBHFI-SFHVURJKSA-N 0 0 407.470 2.975 40 0 HFABRN CCN(CC)S(=O)(=O)c1cc(C(=O)NCc2ccccc2OC)ccc1OC ZINC000015739357 558751104 /nfs/dbraw/zinc/75/11/04/558751104.db2.gz QTWJWBQSQLFRCE-UHFFFAOYSA-N 0 0 406.504 2.664 40 0 HFABRN CCc1ccc([C@H](C)NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 ZINC000036623386 558800276 /nfs/dbraw/zinc/80/02/76/558800276.db2.gz BKOBKGKDMWEPCT-INIZCTEOSA-N 0 0 402.516 2.761 40 0 HFABRN Cn1c2ccc(NC(=O)[C@H](c3ccc(Cl)cc3)N3CCOCC3)cc2n(C)c1=O ZINC000036752351 558802781 /nfs/dbraw/zinc/80/27/81/558802781.db2.gz ITHGHRXQAIIDBJ-IBGZPJMESA-N 0 0 414.893 2.542 40 0 HFABRN Nn1c(SCC(=O)Nc2ccccc2Br)nnc1-c1ccccn1 ZINC000016756042 558805627 /nfs/dbraw/zinc/80/56/27/558805627.db2.gz ONCZBLKCKTYMIF-UHFFFAOYSA-N 0 0 405.281 2.547 40 0 HFABRN O=S(=O)(Cc1ccccc1)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1 ZINC000038757128 558814944 /nfs/dbraw/zinc/81/49/44/558814944.db2.gz KLUQOFROAIFRDB-UHFFFAOYSA-N 0 0 403.485 2.824 40 0 HFABRN COc1ccc(OC)c(N(CC(=O)N[C@@H](C)c2ccc(C)cc2)S(C)(=O)=O)c1 ZINC000038772685 558815499 /nfs/dbraw/zinc/81/54/99/558815499.db2.gz OWFSRTRXQSCBBH-HNNXBMFYSA-N 0 0 406.504 2.656 40 0 HFABRN Cc1cccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4[C@@H](C)CCC[C@@H]4C)[nH]c(=O)c32)c1 ZINC000038828466 558816000 /nfs/dbraw/zinc/81/60/00/558816000.db2.gz BNRHNBQNTNTPIL-OFQRWUPVSA-N 0 0 409.490 2.910 40 0 HFABRN CN(Cc1ccccc1)C(=O)[C@@H]1CCN(S(C)(=O)=O)c2cc(Cl)ccc2O1 ZINC000038832929 558817054 /nfs/dbraw/zinc/81/70/54/558817054.db2.gz QXZJYIOIPCYRNH-SFHVURJKSA-N 0 0 408.907 2.916 40 0 HFABRN CCOC(=O)c1ccc(NC(=O)CN(CC)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000039985589 558823543 /nfs/dbraw/zinc/82/35/43/558823543.db2.gz HOJJWIYVZBUZPD-UHFFFAOYSA-N 0 0 408.451 2.652 40 0 HFABRN CCN(CC(=O)Nc1ccc(F)cc1F)S(=O)(=O)c1cc(F)ccc1OC ZINC000039986325 558823985 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40 0 HFABRN CC(C)C(=O)N1CCO[C@@](Cc2cccc(-c3cccnc3)c2)(C(=O)NC2CC2)C1 ZINC000019085828 558841460 /nfs/dbraw/zinc/84/14/60/558841460.db2.gz QACQYNHFFOPXDW-XMMPIXPASA-N 0 0 407.514 2.823 40 0 HFABRN Cc1cc(C)n2nc(C(=O)N3CCC([C@@H]4CC(=O)c5ccccc5O4)CC3)nc2n1 ZINC000019117283 558842277 /nfs/dbraw/zinc/84/22/77/558842277.db2.gz WCKHUMIPMJIIIV-IBGZPJMESA-N 0 0 405.458 2.627 40 0 HFABRN Cc1cc(N2CCN(C(=O)c3ccnc(N4CCOCC4)c3)CC2)nc2ccccc12 ZINC000019118989 558842750 /nfs/dbraw/zinc/84/27/50/558842750.db2.gz WKYKFIZMAADDQB-UHFFFAOYSA-N 0 0 417.513 2.737 40 0 HFABRN COc1ccccc1[C@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000048076644 558843082 /nfs/dbraw/zinc/84/30/82/558843082.db2.gz YZHPGHNJVKLYQQ-DLBZAZTESA-N 0 0 402.516 2.973 40 0 HFABRN COc1ccc(NCc2cc3c(cc(OC)c(OC)c3OC)[nH]c2=O)c(OC)n1 ZINC000013561515 558844002 /nfs/dbraw/zinc/84/40/02/558844002.db2.gz NFJRAKMBBKWUPA-UHFFFAOYSA-N 0 0 401.419 2.578 40 0 HFABRN Cc1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C1CCN(C(=O)c3ccn(C)c(=O)c3)CC1)N2 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O=C(CN1C(=O)c2ccccc2C1=O)O[C@H](C(=O)NC1CCCC1)c1ccccc1 ZINC000004966875 560621948 /nfs/dbraw/zinc/62/19/48/560621948.db2.gz BRIONSAGLPRCLK-FQEVSTJZSA-N 0 0 406.438 2.626 40 0 HFABRN C[C@]1(C(=O)N(CC(=O)NC2CCCC2)Cc2ccccc2)CC(=O)N=C2C=CC=CN21 ZINC000004967416 560622163 /nfs/dbraw/zinc/62/21/63/560622163.db2.gz QMIFONXWDCVNAI-XMMPIXPASA-N 0 0 420.513 2.547 40 0 HFABRN CCn1c(C)cn2c3c(nc21)n(C)c(=O)n(Cc1c(Cl)cccc1Cl)c3=O ZINC000005076458 560624291 /nfs/dbraw/zinc/62/42/91/560624291.db2.gz OFYLJQYKQABMHZ-UHFFFAOYSA-N 0 0 406.273 2.833 40 0 HFABRN CC(C)CC(=O)N1CCC[C@H](c2nc3c(nnn3Cc3ccc(F)cc3)c(=O)[nH]2)C1 ZINC000005625011 560627786 /nfs/dbraw/zinc/62/77/86/560627786.db2.gz QSLRBOXXWDTZRX-HNNXBMFYSA-N 0 0 412.469 2.866 40 0 HFABRN C[C@@H]1CCCN(C(=O)Cn2c3ccsc3c(=O)n(Cc3ccc(F)cc3)c2=O)C1 ZINC000006679346 560633492 /nfs/dbraw/zinc/63/34/92/560633492.db2.gz LPBLRXWFYJROLV-CQSZACIVSA-N 0 0 415.490 2.671 40 0 HFABRN CCS(=O)(=O)N1CCC[C@H](C(=O)NCCSCc2ccc(Cl)cc2)C1 ZINC000260504409 560638228 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/nfs/dbraw/zinc/32/16/32/558321632.db2.gz GPLJMFYWIRVTRV-UHFFFAOYSA-N 0 0 414.886 2.863 40 0 HFABRN Cc1ccc2c(c1)N[C@@]1(CCC(=O)N([C@@H](C)C(=O)N3CCCCCC3)CC1)NC2=O ZINC000012086522 558321798 /nfs/dbraw/zinc/32/17/98/558321798.db2.gz GKZXLVHXXVIHRG-SBUREZEXSA-N 0 0 412.534 2.650 40 0 HFABRN CN(C)c1ncc(-c2ccncc2)c(CN(C)C(=O)Cc2ccc3c(c2)OCO3)n1 ZINC000012088881 558323446 /nfs/dbraw/zinc/32/34/46/558323446.db2.gz UMEYYZFCUMSBLJ-UHFFFAOYSA-N 0 0 405.458 2.534 40 0 HFABRN COc1cc(C(=O)Nc2ccc(F)c(F)c2)c(N(C)S(C)(=O)=O)cc1OC ZINC000020030161 558324055 /nfs/dbraw/zinc/32/40/55/558324055.db2.gz QVTNHYBKQSILSM-UHFFFAOYSA-N 0 0 400.403 2.630 40 0 HFABRN O=C(c1n[nH]c2c1CCCC2)N1CCC(c2ccnc3nc(C(F)(F)F)nn32)CC1 ZINC000012116191 558328209 /nfs/dbraw/zinc/32/82/09/558328209.db2.gz BKHLVOLDBLZYAR-UHFFFAOYSA-N 0 0 419.411 2.765 40 0 HFABRN CS(=O)(=O)N1C[C@@H](C(=O)Nc2ccc(F)cc2F)Oc2ccc(Cl)cc21 ZINC000020050082 558328251 /nfs/dbraw/zinc/32/82/51/558328251.db2.gz SKTIXNOTBYZGKS-HNNXBMFYSA-N 0 0 402.806 2.784 40 0 HFABRN CCn1c2cc(C)oc2c2cnn(CC(=O)N(Cc3ccccn3)C3CC3)c(=O)c21 ZINC000012117735 558329209 /nfs/dbraw/zinc/32/92/09/558329209.db2.gz KMOFJNRDPLHKTG-UHFFFAOYSA-N 0 0 405.458 2.859 40 0 HFABRN CCCn1ncc(C)c1NC(=O)Cn1c2cccnc2n(Cc2cccs2)c1=O ZINC000012117489 558329221 /nfs/dbraw/zinc/32/92/21/558329221.db2.gz GOFRUCFJUROXRV-UHFFFAOYSA-N 0 0 410.503 2.861 40 0 HFABRN COc1ccc(OC[C@H](C)NC(=O)c2ccc(NS(C)(=O)=O)c(Cl)c2)cc1 ZINC000020106379 558333464 /nfs/dbraw/zinc/33/34/64/558333464.db2.gz OCEZUOBRUAANEX-LBPRGKRZSA-N 0 0 412.895 2.917 40 0 HFABRN COc1ccc(N(CC(=O)N[C@H](C)c2ccc(C)cc2C)S(C)(=O)=O)c(OC)c1 ZINC000020106489 558333496 /nfs/dbraw/zinc/33/34/96/558333496.db2.gz CIHLLSLYNAUZQC-MRXNPFEDSA-N 0 0 420.531 2.964 40 0 HFABRN CCNC(=O)c1cc(S(=O)(=O)N[C@H](C)c2ccc(OC)c(OC)c2)ccc1OC ZINC000020108789 558334526 /nfs/dbraw/zinc/33/45/26/558334526.db2.gz IDGXQQFZSVZTGB-CYBMUJFWSA-N 0 0 422.503 2.502 40 0 HFABRN C[C@@H]1CCc2c(sc3ncn(C4CCN(C(=O)[C@H]5CCCO5)CC4)c(=O)c32)C1 ZINC000012145481 558336717 /nfs/dbraw/zinc/33/67/17/558336717.db2.gz MGKHOJHYBYDMBZ-CZUORRHYSA-N 0 0 401.532 2.925 40 0 HFABRN CC(C)[C@@H](c1nnnn1CCc1ccccc1)N1CCN(C(=O)c2ccco2)CC1 ZINC000020142146 558339073 /nfs/dbraw/zinc/33/90/73/558339073.db2.gz JUKZXFVHYONECD-FQEVSTJZSA-N 0 0 408.506 2.664 40 0 HFABRN Cc1nc2c(c(=O)n1CC(=O)NCc1cccc(F)c1)CCN(Cc1ccccc1)C2 ZINC000012186303 558345523 /nfs/dbraw/zinc/34/55/23/558345523.db2.gz DKZIHUWZDLFNDR-UHFFFAOYSA-N 0 0 420.488 2.566 40 0 HFABRN O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCc2ncc(Cl)cc2C1 ZINC000012186655 558345984 /nfs/dbraw/zinc/34/59/84/558345984.db2.gz NOKSOXYVXSVFMC-UHFFFAOYSA-N 0 0 405.907 2.718 40 0 HFABRN Cc1ccc(C)c(N(CC(=O)NCCSc2ccccc2)S(=O)(=O)N(C)C)c1 ZINC000020244661 558351009 /nfs/dbraw/zinc/35/10/09/558351009.db2.gz IUNXTLKNPBSVFB-UHFFFAOYSA-N 0 0 421.588 2.825 40 0 HFABRN Cn1nccc1C1(O)C[C@H]2CC[C@@H](C1)N2C(=O)CCc1nc(-c2cccs2)no1 ZINC000012224741 558356803 /nfs/dbraw/zinc/35/68/03/558356803.db2.gz PJGHBHMPVQDQLX-RAKKMVLPSA-N 0 0 413.503 2.505 40 0 HFABRN CN(C)[C@@H](CNS(=O)(=O)c1ccc(N2CCCC2=O)cc1)c1ccc(F)cc1 ZINC000012239234 558359869 /nfs/dbraw/zinc/35/98/69/558359869.db2.gz HAYDENNNBFXMNV-IBGZPJMESA-N 0 0 405.495 2.534 40 0 HFABRN C[C@H]1Cc2cc(C(=O)N3CCOCC3)ccc2N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000020448688 558364147 /nfs/dbraw/zinc/36/41/47/558364147.db2.gz LSEBZSMHLUYNDW-AWEZNQCLSA-N 0 0 420.918 2.952 40 0 HFABRN CCS(=O)(=O)N(C)c1ccc(C(=O)NCc2ccccc2-n2ccnc2C)cc1 ZINC000020452594 558366857 /nfs/dbraw/zinc/36/68/57/558366857.db2.gz PXQVGVYKQXMWJW-UHFFFAOYSA-N 0 0 412.515 2.897 40 0 HFABRN CC[C@H](Oc1ccccc1C)C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000020455503 558369113 /nfs/dbraw/zinc/36/91/13/558369113.db2.gz DAOXYAFGGKQFGE-IBGZPJMESA-N 0 0 402.516 2.992 40 0 HFABRN Cc1ccc([C@H](C)NC(=O)CN(c2ccccc2F)S(=O)(=O)N(C)C)c(C)c1 ZINC000020456671 558369968 /nfs/dbraw/zinc/36/99/68/558369968.db2.gz CWBMEXQJHGHBAP-INIZCTEOSA-N 0 0 407.511 2.933 40 0 HFABRN COC(=O)c1ccc(CS(=O)(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1 ZINC000020460257 558372341 /nfs/dbraw/zinc/37/23/41/558372341.db2.gz JWKTWNMYZGFGDM-VMPITWQZSA-N 0 0 414.527 2.634 40 0 HFABRN CC(=O)c1cccc(N(CC(=O)NCc2ccc(OC(C)C)cc2)S(C)(=O)=O)c1 ZINC000020482785 558375427 /nfs/dbraw/zinc/37/54/27/558375427.db2.gz RBXPWTAGWYLBPQ-UHFFFAOYSA-N 0 0 418.515 2.759 40 0 HFABRN Cc1ccc(-c2noc([C@@H](C)NC(=O)Cc3nn(C)c(=O)c4ccccc34)n2)cc1 ZINC000012326936 558383204 /nfs/dbraw/zinc/38/32/04/558383204.db2.gz BFBMYHZXDAHLAU-CQSZACIVSA-N 0 0 403.442 2.712 40 0 HFABRN Nc1nc(N2CCCCC2)nc2c1[C@H](C(=O)Nc1ccccc1Cl)CC(=O)N2 ZINC000020635675 558395637 /nfs/dbraw/zinc/39/56/37/558395637.db2.gz APEIHSYARLDNQP-LLVKDONJSA-N 0 0 400.870 2.767 40 0 HFABRN CCOc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCCCC4)nc(N)c32)cc1 ZINC000020673994 558399050 /nfs/dbraw/zinc/39/90/50/558399050.db2.gz YUYQWFLWLDNHMV-HNNXBMFYSA-N 0 0 410.478 2.512 40 0 HFABRN CCOC(=O)[C@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@H]1c1ccc(OC)cc1 ZINC000020802060 558415566 /nfs/dbraw/zinc/41/55/66/558415566.db2.gz WZSWDHFLMUGAML-UXHICEINSA-N 0 0 423.469 2.807 40 0 HFABRN O=C(CCc1nc(-c2ccccc2)no1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000020902348 558420451 /nfs/dbraw/zinc/42/04/51/558420451.db2.gz YWXXSOLAEDTGBI-UHFFFAOYSA-N 0 0 420.469 2.742 40 0 HFABRN Cc1nnc(SCC(=O)N2CCC(c3noc(-c4ccccn4)n3)CC2)s1 ZINC000012668848 558445768 /nfs/dbraw/zinc/44/57/68/558445768.db2.gz IVKCKBWWIBAFIY-UHFFFAOYSA-N 0 0 402.505 2.790 40 0 HFABRN CC(=O)c1c(C)nn(CC(=O)N2CCC(c3noc(-c4ccncc4)n3)CC2)c1C ZINC000012669372 558445809 /nfs/dbraw/zinc/44/58/09/558445809.db2.gz JXXNUSCALCSMLE-UHFFFAOYSA-N 0 0 408.462 2.554 40 0 HFABRN COc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCc3ccccc3C2)c1 ZINC000022230120 558468856 /nfs/dbraw/zinc/46/88/56/558468856.db2.gz SAFDMGHFUYSFKF-FQEVSTJZSA-N 0 0 414.527 2.742 40 0 HFABRN COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CCCCC2)cc1C ZINC000022247173 558472537 /nfs/dbraw/zinc/47/25/37/558472537.db2.gz KNNNLSGUZIXLCY-HXUWFJFHSA-N 0 0 416.543 2.906 40 0 HFABRN CCN(c1cc(OC)c(OC)cc1C(=O)Nc1ccc(OC)cc1)S(C)(=O)=O ZINC000022252027 558473581 /nfs/dbraw/zinc/47/35/81/558473581.db2.gz GKGJTRBHFJHRGL-UHFFFAOYSA-N 0 0 408.476 2.751 40 0 HFABRN CCN(c1cc(OC)c(OC)cc1C(=O)N(C)Cc1ccccc1)S(C)(=O)=O ZINC000022252113 558473583 /nfs/dbraw/zinc/47/35/83/558473583.db2.gz AXBBMEIZOHBZJM-UHFFFAOYSA-N 0 0 406.504 2.762 40 0 HFABRN CCS(=O)(=O)N(C)c1cc(OC)c(OC)cc1C(=O)NCc1ccc(C)cc1 ZINC000022252532 558473597 /nfs/dbraw/zinc/47/35/97/558473597.db2.gz UFCLSECYWFQTRT-UHFFFAOYSA-N 0 0 406.504 2.728 40 0 HFABRN CCS(=O)(=O)N(C)c1cc(OC)c(OC)cc1C(=O)N(C)Cc1ccccc1 ZINC000022252859 558473846 /nfs/dbraw/zinc/47/38/46/558473846.db2.gz MJFSCVKMRPXSBC-UHFFFAOYSA-N 0 0 406.504 2.762 40 0 HFABRN CC(=O)Nc1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1 ZINC000022258679 558474618 /nfs/dbraw/zinc/47/46/18/558474618.db2.gz RPNQNWOOJSVNAN-QGZVFWFLSA-N 0 0 415.515 2.993 40 0 HFABRN CCOc1ccc(CCCNC(=O)CN(c2cccc(C)c2)S(C)(=O)=O)cc1 ZINC000022327419 558478562 /nfs/dbraw/zinc/47/85/62/558478562.db2.gz RFDPCNNURBXHED-UHFFFAOYSA-N 0 0 404.532 2.909 40 0 HFABRN Cc1ccc(OC[C@H](C)NC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)cc1 ZINC000022330988 558479936 /nfs/dbraw/zinc/47/99/36/558479936.db2.gz GZHPCMQRTSMPTQ-HNNXBMFYSA-N 0 0 410.923 2.998 40 0 HFABRN COc1cccc(N(CC(=O)NCc2cccc(OC(C)C)c2)S(C)(=O)=O)c1 ZINC000022332137 558480094 /nfs/dbraw/zinc/48/00/94/558480094.db2.gz VCQAQPAQKPYBOD-UHFFFAOYSA-N 0 0 406.504 2.565 40 0 HFABRN CCOc1ccccc1N(CC(=O)NCCCc1ccc(F)cc1)S(C)(=O)=O ZINC000022332844 558480531 /nfs/dbraw/zinc/48/05/31/558480531.db2.gz NSAHLKQIVSWDQG-UHFFFAOYSA-N 0 0 408.495 2.739 40 0 HFABRN CCOc1ccc(CNC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)cc1OCC ZINC000022335485 558481114 /nfs/dbraw/zinc/48/11/14/558481114.db2.gz BDGFHCLCVQJHDM-UHFFFAOYSA-N 0 0 424.494 2.706 40 0 HFABRN COc1cccc(CCCNC(=O)CN(c2cccc(C)c2C)S(C)(=O)=O)c1 ZINC000022340444 558482303 /nfs/dbraw/zinc/48/23/03/558482303.db2.gz ODGSTLBJJIRYQU-UHFFFAOYSA-N 0 0 404.532 2.827 40 0 HFABRN CS(=O)(=O)N(CC(=O)NCCCc1ccc(Cl)cc1)c1ccc2c(c1)OCO2 ZINC000022368023 558483657 /nfs/dbraw/zinc/48/36/57/558483657.db2.gz AEYVHJVTJRUVNZ-UHFFFAOYSA-N 0 0 424.906 2.584 40 0 HFABRN CCCOc1ccc(N(CC(=O)Nc2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1 ZINC000022389915 558485975 /nfs/dbraw/zinc/48/59/75/558485975.db2.gz MLEOHVPPHXHCNM-UHFFFAOYSA-N 0 0 420.487 2.651 40 0 HFABRN CCOc1cccc(CNC(=O)CN(c2cccc(OCC)c2)S(C)(=O)=O)c1 ZINC000022396756 558486621 /nfs/dbraw/zinc/48/66/21/558486621.db2.gz FTPLJLXOXPHMTR-UHFFFAOYSA-N 0 0 406.504 2.566 40 0 HFABRN Cc1ccc(N(CC(=O)Nc2ccc(N3CCCC3=O)cc2)S(C)(=O)=O)cc1 ZINC000022432277 558489500 /nfs/dbraw/zinc/48/95/00/558489500.db2.gz KNEWHHPSGSLNTQ-UHFFFAOYSA-N 0 0 401.488 2.527 40 0 HFABRN Cc1cc(C)cc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCC(C)CC4)[nH]c(=O)c32)c1 ZINC000022610316 558501604 /nfs/dbraw/zinc/50/16/04/558501604.db2.gz KNEJAOOHWASRDL-INIZCTEOSA-N 0 0 409.490 2.688 40 0 HFABRN COc1cc(OC)c(OC)cc1/C=c1\sc2nnc(-c3cccc(C)c3)n2c1=O ZINC000013547452 558538344 /nfs/dbraw/zinc/53/83/44/558538344.db2.gz RWSGEBKZFPCHEH-ZDLGFXPLSA-N 0 0 409.467 2.700 40 0 HFABRN CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc(NC(C)=O)cc2)ccc1OC ZINC000013581429 558544785 /nfs/dbraw/zinc/54/47/85/558544785.db2.gz YKTFTVGHIUGZSV-UHFFFAOYSA-N 0 0 419.503 2.936 40 0 HFABRN CCOC(=O)c1cccc(NC(=O)CN(c2cccc(OC)c2)S(C)(=O)=O)c1C ZINC000013668759 558560778 /nfs/dbraw/zinc/56/07/78/558560778.db2.gz AYVDPJOWXSERTL-UHFFFAOYSA-N 0 0 420.487 2.585 40 0 HFABRN CCOC(=O)c1ccc(NC(=O)CN(c2ccc(OC)cc2)S(C)(=O)=O)c(C)c1 ZINC000013669436 558561191 /nfs/dbraw/zinc/56/11/91/558561191.db2.gz BDACABCPSLJPSY-UHFFFAOYSA-N 0 0 420.487 2.585 40 0 HFABRN COc1ccc(Cl)cc1N(CC(=O)NCCCc1ccccc1)S(C)(=O)=O ZINC000013670158 558561691 /nfs/dbraw/zinc/56/16/91/558561691.db2.gz KNCOMTXZIAVVTC-UHFFFAOYSA-N 0 0 410.923 2.864 40 0 HFABRN COC(=O)c1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCC3)c2)c1 ZINC000013676561 558564655 /nfs/dbraw/zinc/56/46/55/558564655.db2.gz ZCFCJJJODBGGGG-UHFFFAOYSA-N 0 0 402.472 2.818 40 0 HFABRN CNC(=O)c1cc(S(=O)(=O)NCCSCc2ccccc2C)ccc1OC ZINC000013682085 558567274 /nfs/dbraw/zinc/56/72/74/558567274.db2.gz XAJLFHZNQMDTTH-UHFFFAOYSA-N 0 0 408.545 2.575 40 0 HFABRN CC[C@H](C(=O)Nc1ccc(C(=O)OC)cc1)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000013713172 558577233 /nfs/dbraw/zinc/57/72/33/558577233.db2.gz FZOPTIPZMLIJJG-GOSISDBHSA-N 0 0 404.488 2.965 40 0 HFABRN CC[C@H](C(=O)Nc1ccc(C(N)=O)cc1)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000013716834 558579793 /nfs/dbraw/zinc/57/97/93/558579793.db2.gz GHQDGAOTFGKAQS-GOSISDBHSA-N 0 0 403.504 2.586 40 0 HFABRN CCOC(=O)c1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)c1 ZINC000023912968 558581411 /nfs/dbraw/zinc/58/14/11/558581411.db2.gz ZGTLPLLNMMVJKO-UHFFFAOYSA-N 0 0 416.499 2.903 40 0 HFABRN COc1ccc(OC)c([C@@H](C)NC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000014232590 558640270 /nfs/dbraw/zinc/64/02/70/558640270.db2.gz ALRKFHPFZALRET-OAHLLOKOSA-N 0 0 406.504 2.510 40 0 HFABRN CN(Cc1nc(-c2cccs2)no1)C(=O)CCCN1C(=O)c2ccccc2C1=O ZINC000028188903 558691870 /nfs/dbraw/zinc/69/18/70/558691870.db2.gz FSBXCWIQETWAEP-UHFFFAOYSA-N 0 0 410.455 2.833 40 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O=C(NC(=S)Nc1ccc(I)cn1)C(Cl)(Cl)Cl ZINC000016430025 558791124 /nfs/dbraw/zinc/79/11/24/558791124.db2.gz RHTQAJSGNJKVKP-UHFFFAOYSA-N 0 0 424.478 2.869 40 0 HFABRN COc1ccccc1CN(C)C(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O ZINC000038754585 558814239 /nfs/dbraw/zinc/81/42/39/558814239.db2.gz VLIVTZPKNQGDSO-UHFFFAOYSA-N 0 0 414.886 2.912 40 0 HFABRN Cc1nccn1Cc1ccc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000038852693 558819031 /nfs/dbraw/zinc/81/90/31/558819031.db2.gz RGKUSRYPGXAIIX-UHFFFAOYSA-N 0 0 418.497 2.927 40 0 HFABRN Cc1cccc(CSCCNC(=O)[C@@H]2CN(S(C)(=O)=O)c3ccccc3O2)c1 ZINC000038851670 558819073 /nfs/dbraw/zinc/81/90/73/558819073.db2.gz DFOYCYYQZPMECS-IBGZPJMESA-N 0 0 420.556 2.572 40 0 HFABRN CCN(CC)S(=O)(=O)c1cc(C(=O)NCCc2ccc(OC)cc2)ccc1OC ZINC000039986400 558824095 /nfs/dbraw/zinc/82/40/95/558824095.db2.gz WPQPMQKXDYYROS-UHFFFAOYSA-N 0 0 420.531 2.707 40 0 HFABRN COc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1Cl ZINC000040114311 558824567 /nfs/dbraw/zinc/82/45/67/558824567.db2.gz OPDJRHRNSWVXFS-UHFFFAOYSA-N 0 0 410.879 2.622 40 0 HFABRN CNc1cc([C@@H]2CCCN(C(=O)C3CCN(C(C)=O)CC3)C2)nc(-c2cccnc2)n1 ZINC000019016732 558837144 /nfs/dbraw/zinc/83/71/44/558837144.db2.gz IYGHWAHRNIFQIM-LJQANCHMSA-N 0 0 422.533 2.545 40 0 HFABRN C[C@@H](C(=O)NCCc1ccncc1)N1CC[C@]2(CC(=O)c3ccccc3O2)CCC1=O ZINC000019080143 558838922 /nfs/dbraw/zinc/83/89/22/558838922.db2.gz UMBHPLUBFJZYPZ-XDHUDOTRSA-N 0 0 421.497 2.546 40 0 HFABRN Cc1cc(C)n2ncc(C(=O)C3CCN(C(=O)c4cc(C(F)(F)F)n[nH]4)CC3)c2n1 ZINC000019116512 558841872 /nfs/dbraw/zinc/84/18/72/558841872.db2.gz DHXAMFOERJKIIZ-UHFFFAOYSA-N 0 0 420.395 2.823 40 0 HFABRN Cc1cc(C(F)(F)F)n2nc([C@@H]3CCCCN3S(=O)(=O)N3CCCC3)cc2n1 ZINC000019116747 558842061 /nfs/dbraw/zinc/84/20/61/558842061.db2.gz ATTBZZDKNJFWNT-AWEZNQCLSA-N 0 0 417.457 2.924 40 0 HFABRN Cc1cc(C(F)F)nn1CC(=O)N1CC[C@H](c2nc(-c3cccnc3)cc(=O)[nH]2)C1 ZINC000019119142 558842738 /nfs/dbraw/zinc/84/27/38/558842738.db2.gz PNXWJXUCAUZZIM-AWEZNQCLSA-N 0 0 414.416 2.703 40 0 HFABRN Cc1ccc(C(C)C)c(OCCNC(=O)CN2C(=O)NC3(CCCCC3)C2=O)c1 ZINC000019134356 558845972 /nfs/dbraw/zinc/84/59/72/558845972.db2.gz SZLUNTJWGJTRNL-UHFFFAOYSA-N 0 0 401.507 2.868 40 0 HFABRN Cc1ccc(-n2ncc(C(=O)[C@H]3CCCN(C(=O)c4cnc(C)cn4)C3)c2N)cc1 ZINC000019213062 558849027 /nfs/dbraw/zinc/84/90/27/558849027.db2.gz OCXGFVYHLTYEND-INIZCTEOSA-N 0 0 404.474 2.596 40 0 HFABRN Cc1ccc(S(=O)(=O)N2CC[C@@H](c3nc(-c4cccnc4)cc(=O)[nH]3)C2)cc1C ZINC000019214295 558849648 /nfs/dbraw/zinc/84/96/48/558849648.db2.gz HUHQIXUABYUJPG-QGZVFWFLSA-N 0 0 410.499 2.627 40 0 HFABRN Cc1cccc(C2(CNC(=O)CCc3c(C)nc4ncnn4c3C)CCOCC2)c1 ZINC000019234542 558853874 /nfs/dbraw/zinc/85/38/74/558853874.db2.gz JGIKNTHUPZEQCS-UHFFFAOYSA-N 0 0 407.518 2.847 40 0 HFABRN Cc1cccc(N2C[C@H](c3cc(=O)[nH]c(NCCc4ccccn4)n3)CC2=O)c1C ZINC000019235581 558854607 /nfs/dbraw/zinc/85/46/07/558854607.db2.gz HRPSRDAWMNEKQN-QGZVFWFLSA-N 0 0 403.486 2.957 40 0 HFABRN Cc1ccccc1-c1noc([C@H]2CN(C(=O)COc3ccc4c(c3)OCO4)CCO2)n1 ZINC000019237501 558856630 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40 0 HFABRN Cn1ccnc1[C@@H](NC(=O)c1ccccc1CN1CCOCC1)c1ccc(F)cc1 ZINC000019291212 558863511 /nfs/dbraw/zinc/86/35/11/558863511.db2.gz XLYRVARCDWSZPE-NRFANRHFSA-N 0 0 408.477 2.911 40 0 HFABRN O=C(NCOC(=O)c1ccc(OCNC(=O)c2ccccc2)cc1)c1ccccc1 ZINC000068605902 558863920 /nfs/dbraw/zinc/86/39/20/558863920.db2.gz DFBSUPKZYWQXJS-UHFFFAOYSA-N 0 0 404.422 2.997 40 0 HFABRN O=C(NCc1ccc(-c2n[nH]cc2C(=O)N2CCOCC2)cc1)c1cccc(F)c1 ZINC000019293612 558865294 /nfs/dbraw/zinc/86/52/94/558865294.db2.gz YVNCXEZOIYJHNP-UHFFFAOYSA-N 0 0 408.433 2.618 40 0 HFABRN O=C(c1cccc(F)c1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(C(=O)C1CC1)CC2 ZINC000019293561 558865311 /nfs/dbraw/zinc/86/53/11/558865311.db2.gz BWCPAMZMIQUJHC-LJQANCHMSA-N 0 0 424.476 2.571 40 0 HFABRN O=C(c1cccs1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(Cc1cccnc1)CC2 ZINC000019339377 558871247 /nfs/dbraw/zinc/87/12/47/558871247.db2.gz SZEHELIMRYZZIR-GOSISDBHSA-N 0 0 421.526 2.762 40 0 HFABRN O=S(=O)(c1ccc(F)c(F)c1)N1CCC[C@@H](c2nnc(-c3cccnc3)o2)C1 ZINC000019341351 558871842 /nfs/dbraw/zinc/87/18/42/558871842.db2.gz SCOBJNKSVGWJHG-CYBMUJFWSA-N 0 0 406.414 2.978 40 0 HFABRN O=C(c1ccncc1)N1CCc2c(=O)[nH]c([C@@H]3CCCN3Cc3cccs3)nc2C1 ZINC000019343455 558872456 /nfs/dbraw/zinc/87/24/56/558872456.db2.gz AEXGTLCZNXJFDE-IBGZPJMESA-N 0 0 421.526 2.762 40 0 HFABRN O=C(c1ccccc1F)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(C(=O)C1CC1)CC2 ZINC000019347567 558873720 /nfs/dbraw/zinc/87/37/20/558873720.db2.gz XQUZGRCNYBCFSS-LJQANCHMSA-N 0 0 424.476 2.571 40 0 HFABRN O=C(C1CCC1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)CCN(Cc1ccccc1F)C2 ZINC000019349386 558874843 /nfs/dbraw/zinc/87/48/43/558874843.db2.gz RURKWCSBQRKZPF-HXUWFJFHSA-N 0 0 410.493 2.931 40 0 HFABRN O=S(=O)(CCOc1ccccc1)N1CCC(c2nnc3n2CCCCC3)CC1 ZINC000019373537 558880778 /nfs/dbraw/zinc/88/07/78/558880778.db2.gz QPCNBNBQFHHITK-UHFFFAOYSA-N 0 0 404.536 2.593 40 0 HFABRN O=S(=O)(CCOc1ccccc1)N1CCC[C@@H]1c1nnc(-c2cccnc2)o1 ZINC000019373542 558880798 /nfs/dbraw/zinc/88/07/98/558880798.db2.gz BRVOURNGEJTMML-QGZVFWFLSA-N 0 0 400.460 2.677 40 0 HFABRN O=C(COc1ccc(F)c(Cl)c1)N1CCO[C@H](c2nc(-c3ccccn3)no2)C1 ZINC000019403044 558884050 /nfs/dbraw/zinc/88/40/50/558884050.db2.gz LAKBGEZBEWUBHW-INIZCTEOSA-N 0 0 418.812 2.903 40 0 HFABRN O=C(Cn1cnc2sccc2c1=O)N1CCC[C@@H]1c1nnc(-c2ccsc2)o1 ZINC000019406761 558885031 /nfs/dbraw/zinc/88/50/31/558885031.db2.gz YRDHFHQDNJOFNQ-CYBMUJFWSA-N 0 0 413.484 2.933 40 0 HFABRN CC(C)[C@@H](NC(=O)[C@H]1CC(=O)N(Cc2ccncc2)C1)c1ccc2c(c1)OCCO2 ZINC000019445875 558885980 /nfs/dbraw/zinc/88/59/80/558885980.db2.gz VYIGLUNZBFJPDM-PGRDOPGGSA-N 0 0 409.486 2.715 40 0 HFABRN COc1ccc(-c2cc([C@H]3CCN(S(=O)(=O)C(C)C)C3)nc(N(C)C)n2)cc1 ZINC000019451000 558889076 /nfs/dbraw/zinc/88/90/76/558889076.db2.gz MAEGOYFQMBJZMR-INIZCTEOSA-N 0 0 404.536 2.746 40 0 HFABRN CCc1ccc2[nH]c(=O)c(CN(CCO)Cc3nnnn3C3CCCCC3)cc2c1 ZINC000057640299 558889529 /nfs/dbraw/zinc/88/95/29/558889529.db2.gz LSYMORLOPKAEBA-UHFFFAOYSA-N 0 0 410.522 2.577 40 0 HFABRN CN(C)[C@@H](CNS(=O)(=O)c1ccc(N2CCCC2=O)cc1)c1ccccc1F ZINC000057823186 558891222 /nfs/dbraw/zinc/89/12/22/558891222.db2.gz OVSHOCDMLDDKAO-IBGZPJMESA-N 0 0 405.495 2.534 40 0 HFABRN C[C@H](C(=O)N1CCC[C@H]2CN(C(=O)CCCN3CCCC3=O)C[C@H]21)c1ccccc1 ZINC000019459308 558893043 /nfs/dbraw/zinc/89/30/43/558893043.db2.gz VLASXTREHJXTDD-SESVDKBCSA-N 0 0 411.546 2.642 40 0 HFABRN COc1ccc(CCc2nnc(NC(=O)[C@@H]3CC(=O)OC3(C)C)s2)cc1OC ZINC000019460511 558893569 /nfs/dbraw/zinc/89/35/69/558893569.db2.gz WUIAOZWAZQNQDN-LBPRGKRZSA-N 0 0 405.476 2.621 40 0 HFABRN CCC(=O)N1CCc2cc(S(=O)(=O)NCc3nc4ccccc4n3CC)ccc21 ZINC000019499173 558897471 /nfs/dbraw/zinc/89/74/71/558897471.db2.gz RJHZYUDJLNSOHC-UHFFFAOYSA-N 0 0 412.515 2.834 40 0 HFABRN CCc1nn(C)c(C(=O)N[C@H](Cc2cc(=O)[nH]c(C3CC3)n2)c2ccccc2)c1C ZINC000019521040 558902489 /nfs/dbraw/zinc/90/24/89/558902489.db2.gz CDNYKIRYZCMLKK-LJQANCHMSA-N 0 0 405.502 2.965 40 0 HFABRN CCc1nccn1CCC(=O)N1CCN([C@@H](c2nccn2C)c2ccccc2)CC1 ZINC000019523640 558904934 /nfs/dbraw/zinc/90/49/34/558904934.db2.gz CDOHYJPPVHWHTL-JOCHJYFZSA-N 0 0 406.534 2.503 40 0 HFABRN CCCn1ncc(C)c1NC(=O)Cn1nc2c3ccccc3nc(C(C)C)n2c1=O ZINC000019525918 558907323 /nfs/dbraw/zinc/90/73/23/558907323.db2.gz OPEIWBLOMVVPBW-UHFFFAOYSA-N 0 0 407.478 2.721 40 0 HFABRN CCN1C(=O)c2ccccc2C(=O)[C@@]2(C)CN(C(=O)Cc3ccc(OC)cc3)C[C@@H]12 ZINC000019528269 558909260 /nfs/dbraw/zinc/90/92/60/558909260.db2.gz UIIXZGSCGLGMNK-YKSBVNFPSA-N 0 0 406.482 2.813 40 0 HFABRN CCNC(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CCCN(C(=O)c2cnccn2)C1 ZINC000019528709 558909941 /nfs/dbraw/zinc/90/99/41/558909941.db2.gz PFOWYZRBNFGZRG-QHCPKHFHSA-N 0 0 419.485 2.733 40 0 HFABRN COc1cc(C(=O)N2CCC[C@H](c3cc4cccnc4c(=O)[nH]3)C2)cc(OC)c1OC ZINC000019549517 558914458 /nfs/dbraw/zinc/91/44/58/558914458.db2.gz WBVPLTFTZVWYOT-HNNXBMFYSA-N 0 0 423.469 2.969 40 0 HFABRN COc1ccc(F)c(CN2CCC3(CC2)CNC(=O)c2ccc(OC)cc2O3)c1 ZINC000019551487 558915565 /nfs/dbraw/zinc/91/55/65/558915565.db2.gz VMFLYUQRRXALKN-UHFFFAOYSA-N 0 0 400.450 3.000 40 0 HFABRN COc1ccc(OC)c(CC(=O)N2CCC(c3cc4cccnc4c(=O)[nH]3)CC2)c1 ZINC000019551322 558915678 /nfs/dbraw/zinc/91/56/78/558915678.db2.gz QWPIHDWEPCKRIL-UHFFFAOYSA-N 0 0 407.470 2.889 40 0 HFABRN COc1ccc(N2C[C@@H](C(=O)NC[C@H](C)n3nc(C)c(C)c3C)CC2=O)c(OC)c1 ZINC000019556249 558918735 /nfs/dbraw/zinc/91/87/35/558918735.db2.gz JWWJFQRLDRSJJE-GUYCJALGSA-N 0 0 414.506 2.556 40 0 HFABRN Cc1nn(CC(=O)N2CCC[C@@H]2C(=O)c2cnn(-c3ccc(F)cc3)c2N)c(C)c1C ZINC000019556447 558918880 /nfs/dbraw/zinc/91/88/80/558918880.db2.gz YXWFXIDZDMSSPZ-LJQANCHMSA-N 0 0 424.480 2.589 40 0 HFABRN Cc1nn(CCC(=O)N2C[C@@H](c3cccnc3)[C@]3(C2)CCCCC(=O)N3)c(C)c1C ZINC000019557147 558919436 /nfs/dbraw/zinc/91/94/36/558919436.db2.gz IPOBDLMHLIIIPO-NZQKXSOJSA-N 0 0 409.534 2.648 40 0 HFABRN Cc1sc2c([C@@H]3CCCN(S(=O)(=O)c4cnn(C)c4C)C3)nc(C)n2c1C ZINC000019561738 558922652 /nfs/dbraw/zinc/92/26/52/558922652.db2.gz RDDWGISNXPFTJL-OAHLLOKOSA-N 0 0 407.565 2.931 40 0 HFABRN Cc1noc2nc([C@H]3CCCN(C(=O)CN4CCOCC4)C3)cc(C(F)(F)F)c12 ZINC000019563904 558923946 /nfs/dbraw/zinc/92/39/46/558923946.db2.gz BYPCYTIQNDMVAA-ZDUSSCGKSA-N 0 0 412.412 2.588 40 0 HFABRN COc1cccc(C(=O)N2CCC[C@@H]2c2nc(-c3cccnc3OC)cc(=O)[nH]2)c1 ZINC000019564477 558924447 /nfs/dbraw/zinc/92/44/47/558924447.db2.gz KKSDPNKZWCPMMK-GOSISDBHSA-N 0 0 406.442 2.826 40 0 HFABRN COc1cccc(-c2noc([C@@H]3CN(C(=O)CN4Cc5ccccc5C4)CCO3)n2)c1 ZINC000019566755 558926230 /nfs/dbraw/zinc/92/62/30/558926230.db2.gz KKAVUZZBZFUPIM-FQEVSTJZSA-N 0 0 420.469 2.661 40 0 HFABRN CSc1nnc([C@H]2CCCN2S(=O)(=O)c2cc(C)c(NC(C)=O)cc2C)n1C ZINC000019567443 558926686 /nfs/dbraw/zinc/92/66/86/558926686.db2.gz WNSWUMYHPSGGIT-OAHLLOKOSA-N 0 0 423.564 2.638 40 0 HFABRN Cc1cc(-c2cc(N)c(=O)n([C@@H](C)C(=O)Nc3ccc4c(c3)OCCO4)n2)c(C)o1 ZINC000019567749 558927040 /nfs/dbraw/zinc/92/70/40/558927040.db2.gz BNZZSRMEXNCQME-LBPRGKRZSA-N 0 0 410.430 2.673 40 0 HFABRN COc1cccc(OC)c1OCC(=O)N1CCC(c2cc3cccnc3c(=O)[nH]2)CC1 ZINC000019568196 558927267 /nfs/dbraw/zinc/92/72/67/558927267.db2.gz IVKYNXAXESRNNS-UHFFFAOYSA-N 0 0 423.469 2.725 40 0 HFABRN CC(C)[C@H]1CN(Cc2ccccc2F)CCN1C(=O)Cn1ncc2ccccc2c1=O ZINC000072324125 558933250 /nfs/dbraw/zinc/93/32/50/558933250.db2.gz QYLIBSJGZGXTKR-JOCHJYFZSA-N 0 0 422.504 2.905 40 0 HFABRN Cc1nn(C)c(C)c1NC(=O)[C@H](C)N1CC[C@]2(CC(=O)c3ccccc3O2)CCC1=O ZINC000072327640 558933998 /nfs/dbraw/zinc/93/39/98/558933998.db2.gz GXGHRWLXOPHVCE-HJPURHCSSA-N 0 0 424.501 2.781 40 0 HFABRN CN(C)C(=O)[C@]1(Cc2ccccc2-c2cncnc2)CCCN(C(=O)[C@@H]2CCCO2)C1 ZINC000019578970 558934474 /nfs/dbraw/zinc/93/44/74/558934474.db2.gz UHQBIGXYGOVDEL-URXFXBBRSA-N 0 0 422.529 2.562 40 0 HFABRN COc1cccc(N2C[C@H](NC(=O)c3noc(C)c3Cc3c(C)noc3C)CC2=O)c1 ZINC000019580957 558936658 /nfs/dbraw/zinc/93/66/58/558936658.db2.gz MSTURTGVPWTNQG-OAHLLOKOSA-N 0 0 424.457 2.723 40 0 HFABRN Cc1nn(Cc2ccccc2)c(C)c1C(=O)N1C[C@@H]2c3nc(C)[nH]c(=O)c3CC[C@@H]2C1 ZINC000072336076 558937186 /nfs/dbraw/zinc/93/71/86/558937186.db2.gz WSYJHGGRXLEMIA-QUCCMNQESA-N 0 0 417.513 2.742 40 0 HFABRN COc1ccc(CC(=O)NCCc2cc3nc(-c4ccncc4)ccn3n2)cc1OC ZINC000072340735 558939302 /nfs/dbraw/zinc/93/93/02/558939302.db2.gz PDMMTFMRPWXXCM-UHFFFAOYSA-N 0 0 417.469 2.710 40 0 HFABRN COc1ccccc1N1C[C@H](c2cc(=O)[nH]c(N(C)CCc3ccccc3)n2)CC1=O ZINC000019586236 558939439 /nfs/dbraw/zinc/93/94/39/558939439.db2.gz VYHFHOJHVJXAIE-GOSISDBHSA-N 0 0 418.497 2.978 40 0 HFABRN CNc1cc([C@H]2CC(=O)N(Cc3ccccc3)C2)nc(C2CCN(C(C)=O)CC2)n1 ZINC000072341536 558940089 /nfs/dbraw/zinc/94/00/89/558940089.db2.gz SEIBTOHHJXUXLD-IBGZPJMESA-N 0 0 407.518 2.760 40 0 HFABRN CNC(=O)[C@]1(Cc2ccc(-c3ccccc3OC)cc2)CCN(C(=O)c2cc[nH]n2)C1 ZINC000019591541 558942242 /nfs/dbraw/zinc/94/22/42/558942242.db2.gz SCYXQTAFJNGWMC-DEOSSOPVSA-N 0 0 418.497 2.906 40 0 HFABRN COCCC(=O)N1Cc2nnc(-c3ccc(OC)c(OC)c3)n2[C@H]2CCCC[C@@H]21 ZINC000019593222 558944318 /nfs/dbraw/zinc/94/43/18/558944318.db2.gz JMILJMZNNZNJMY-HOTGVXAUSA-N 0 0 400.479 2.825 40 0 HFABRN Cc1cc(C)cc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCC[C@H](C)C4)[nH]c(=O)c32)c1 ZINC000040388929 558947725 /nfs/dbraw/zinc/94/77/25/558947725.db2.gz CIPBPHWACJXDSD-BLLLJJGKSA-N 0 0 409.490 2.688 40 0 HFABRN COc1ccc(CCC2CCN(C(=O)C[C@H]3SC4=NCCN4C3=O)CC2)cc1 ZINC000019654993 558948412 /nfs/dbraw/zinc/94/84/12/558948412.db2.gz KSWRQMOLBQZFCF-GOSISDBHSA-N 0 0 401.532 2.570 40 0 HFABRN COc1ccccc1C[C@@H](C)Nc1cc(Cn2c3ccccc3n(C)c2=O)nc(N)n1 ZINC000019655495 558948869 /nfs/dbraw/zinc/94/88/69/558948869.db2.gz UVPGQMOYSCVYJP-OAHLLOKOSA-N 0 0 418.501 2.812 40 0 HFABRN COc1ccccc1C[C@H](C)Nc1cc(Cn2c3ccccc3n(C)c2=O)nc(N)n1 ZINC000019655497 558948882 /nfs/dbraw/zinc/94/88/82/558948882.db2.gz UVPGQMOYSCVYJP-HNNXBMFYSA-N 0 0 418.501 2.812 40 0 HFABRN Cc1cc(N2CC[C@H](c3cc(C(=O)N(C)CCO)c4ccccc4n3)C2)nc(C)n1 ZINC000072352662 558949231 /nfs/dbraw/zinc/94/92/31/558949231.db2.gz GXSQMNROLUGFQK-KRWDZBQOSA-N 0 0 405.502 2.700 40 0 HFABRN CCc1nc2nc(-c3ccc(NC(=O)[C@@H](C)N4CCCC4=O)cc3)cn2nc1CC ZINC000019656893 558949455 /nfs/dbraw/zinc/94/94/55/558949455.db2.gz FZYSWQNFNJSVIX-CQSZACIVSA-N 0 0 406.490 2.866 40 0 HFABRN COc1ccc2c(c1)c(C[C@H](C)NC(=O)Cn1ncc3ccccc3c1=O)cn2C ZINC000019658209 558950227 /nfs/dbraw/zinc/95/02/27/558950227.db2.gz PFANPWLLRGAILE-HNNXBMFYSA-N 0 0 404.470 2.644 40 0 HFABRN CNS(=O)(=O)c1ccc(F)c(C(=O)Nc2cccc(C(=O)N3CCCC3)c2C)c1 ZINC000019659648 558950920 /nfs/dbraw/zinc/95/09/20/558950920.db2.gz GLOZGRHTNVLNMZ-UHFFFAOYSA-N 0 0 419.478 2.531 40 0 HFABRN COc1ccc([C@H]2c3nc[nH]c3CCN2C(=O)c2cnc3sc(C)cn3c2=O)cc1 ZINC000019660210 558951406 /nfs/dbraw/zinc/95/14/06/558951406.db2.gz GVWDTAQDUGJYKD-SFHVURJKSA-N 0 0 421.482 2.584 40 0 HFABRN Cc1cc(C)n(Cc2cccc(CNC(=O)c3cnc4sc(C)cn4c3=O)c2)n1 ZINC000019660186 558951476 /nfs/dbraw/zinc/95/14/76/558951476.db2.gz WRQTYTMDBZKTSL-UHFFFAOYSA-N 0 0 407.499 2.856 40 0 HFABRN O=C(CN1CCOCC1)N1CCC[C@H](c2nccnc2-c2cccc(Cl)c2)C1 ZINC000072358988 558954584 /nfs/dbraw/zinc/95/45/84/558954584.db2.gz VIEFDCMJAFSZTB-KRWDZBQOSA-N 0 0 400.910 2.835 40 0 HFABRN COc1ccc([C@@H]2c3nc[nH]c3CCN2C(=O)c2ccc(-n3cccn3)nc2)cc1 ZINC000019663876 558954646 /nfs/dbraw/zinc/95/46/46/558954646.db2.gz SLFMKHJWJXKCQU-OAQYLSRUSA-N 0 0 400.442 2.787 40 0 HFABRN COc1ccc([C@@H]2c3nc[nH]c3CCN2C(=O)c2cc(-c3cnn(C)c3)no2)cc1 ZINC000019664694 558955252 /nfs/dbraw/zinc/95/52/52/558955252.db2.gz OKJCWIJAOSJVDT-HXUWFJFHSA-N 0 0 404.430 2.595 40 0 HFABRN COCCc1ncc(CN2CCC[C@H]2c2cc(Nc3cc(C)[nH]n3)nc(C)n2)cn1 ZINC000072361475 558955997 /nfs/dbraw/zinc/95/59/97/558955997.db2.gz QLIWVQREZXTBHK-SFHVURJKSA-N 0 0 408.510 2.876 40 0 HFABRN CN(C)C(=O)c1sc2ccccc2c1C[C@@H]1CCCCN1S(=O)(=O)N(C)C ZINC000072370445 558956804 /nfs/dbraw/zinc/95/68/04/558956804.db2.gz TWIDRGYQVZAAGZ-AWEZNQCLSA-N 0 0 409.577 2.807 40 0 HFABRN CNC(=O)c1ccc(-c2ccc([C@H]3CCCN3C(=O)c3n[nH]c4c3CCC4)nc2)cn1 ZINC000019688875 558958393 /nfs/dbraw/zinc/95/83/93/558958393.db2.gz VNRSQDYRXLPUNL-HXUWFJFHSA-N 0 0 416.485 2.692 40 0 HFABRN CC(C)(CO)CNC(=O)c1ccc(-c2nc(N3CCOCC3)nc3c2CCCC3)cc1 ZINC000072373402 558961125 /nfs/dbraw/zinc/96/11/25/558961125.db2.gz KRUXNHBLRYNZOC-UHFFFAOYSA-N 0 0 424.545 2.607 40 0 HFABRN CN(C)c1ncc(-c2cccc(F)c2)c([C@@H]2CCCN(C(=O)Cn3cccn3)C2)n1 ZINC000019694281 558962538 /nfs/dbraw/zinc/96/25/38/558962538.db2.gz PHMYOOPCMYLACI-QGZVFWFLSA-N 0 0 408.481 2.951 40 0 HFABRN CS(=O)(=O)[C@](Br)(I)C(=O)c1ccc(F)cc1 ZINC000096518521 558963279 /nfs/dbraw/zinc/96/32/79/558963279.db2.gz BNIKHQXFODGXFY-SECBINFHSA-N 0 0 421.025 2.537 40 0 HFABRN CNC(=O)c1sc2ccccc2c1[C@H]1CN(S(=O)(=O)C2CCCC2)CCO1 ZINC000019697548 558965306 /nfs/dbraw/zinc/96/53/06/558965306.db2.gz PRRGBLKLKOJNSR-OAHLLOKOSA-N 0 0 408.545 2.907 40 0 HFABRN Cc1ncc(CN2CCO[C@@H](c3c4ccccc4sc3C(=O)NCCO)C2)s1 ZINC000019697565 558965310 /nfs/dbraw/zinc/96/53/10/558965310.db2.gz XNDNHXPJAJXLPV-MRXNPFEDSA-N 0 0 417.556 2.962 40 0 HFABRN O=S(=O)(c1ccc(F)cc1)N1CCC[C@@H]1c1cncc(Nc2ncccn2)n1 ZINC000072376284 558965411 /nfs/dbraw/zinc/96/54/11/558965411.db2.gz APRVBCPKKAXGAV-MRXNPFEDSA-N 0 0 400.439 2.675 40 0 HFABRN CNC(=O)c1[nH]c([C@@H]2CCCN(C(=O)COC(C)C)C2)nc1-c1ccc(OC)cc1 ZINC000019698978 558966384 /nfs/dbraw/zinc/96/63/84/558966384.db2.gz SFLGDRNEULYLQL-MRXNPFEDSA-N 0 0 414.506 2.576 40 0 HFABRN Cn1cc(C(=O)N2CCCC[C@@H]2c2nc(N)ncc2-c2ccccc2F)ccc1=O ZINC000072377201 558966519 /nfs/dbraw/zinc/96/65/19/558966519.db2.gz GBBCDDGZOXMGIH-GOSISDBHSA-N 0 0 407.449 2.931 40 0 HFABRN O=S(=O)(Nc1cccc([C@@H]2CCc3nncn3C2)c1)c1ccc2c(c1)OCCO2 ZINC000019699074 558966564 /nfs/dbraw/zinc/96/65/64/558966564.db2.gz UCMHXMKKTVZKTJ-OAHLLOKOSA-N 0 0 412.471 2.580 40 0 HFABRN Cn1cnc(S(=O)(=O)N2CCCC[C@@H]2c2nc(N)ncc2-c2cccc(F)c2)c1 ZINC000072377251 558966642 /nfs/dbraw/zinc/96/66/42/558966642.db2.gz CYQFGZSVPSFEPT-MRXNPFEDSA-N 0 0 416.482 2.514 40 0 HFABRN Cn1nc2c(c1C(=O)N1CCC[C@@H](c3ccc(C(=O)N4CCCC4)cn3)C1)CCCC2 ZINC000019705947 558968562 /nfs/dbraw/zinc/96/85/62/558968562.db2.gz RGLCXSJFTOBQDF-GOSISDBHSA-N 0 0 421.545 2.950 40 0 HFABRN O=C(CC[C@H]1CCC(=O)N1)N1CCC(c2ccc(C(=O)NC3CCCC3)cn2)CC1 ZINC000019708363 558970541 /nfs/dbraw/zinc/97/05/41/558970541.db2.gz RKMLJYADKYEQFS-LJQANCHMSA-N 0 0 412.534 2.519 40 0 HFABRN Cn1ccc(-c2cc(C(=O)N3CCN(Cc4ccccn4)CC3)c3ccccc3n2)n1 ZINC000072390387 558970669 /nfs/dbraw/zinc/97/06/69/558970669.db2.gz WVMAUNMAXSFBJQ-UHFFFAOYSA-N 0 0 412.497 2.988 40 0 HFABRN CNc1nc([C@H]2CCCCN2S(=O)(=O)c2ccc(F)cc2)nc2c1CCN(C)C2 ZINC000019708449 558970845 /nfs/dbraw/zinc/97/08/45/558970845.db2.gz NWCAWHBACLQMMW-GOSISDBHSA-N 0 0 419.526 2.561 40 0 HFABRN CNC(=O)[C@]1(Cc2cccc(-c3cccc(C)c3)c2)CCCN(C(=O)c2nc[nH]n2)C1 ZINC000072391505 558971547 /nfs/dbraw/zinc/97/15/47/558971547.db2.gz FIUJJQNZSNXPNP-DEOSSOPVSA-N 0 0 417.513 2.991 40 0 HFABRN CNc1nc([C@H]2CCCCN2C(=O)c2cc(C3CC3)on2)nc2c1CN(C(C)=O)CC2 ZINC000019710404 558972339 /nfs/dbraw/zinc/97/23/39/558972339.db2.gz FMIOHTVGSXIAJT-GOSISDBHSA-N 0 0 424.505 2.656 40 0 HFABRN Cc1cc(-c2snnc2C2CCN(C(=O)c3ccc(C(N)=O)cc3F)CC2)on1 ZINC000072392668 558972432 /nfs/dbraw/zinc/97/24/32/558972432.db2.gz PAJIKUYIYRMWQJ-UHFFFAOYSA-N 0 0 415.450 2.759 40 0 HFABRN CC(C)c1cc(C(=O)NCC(C)(C)c2cccc(F)c2)c2c(=O)[nH]c(=O)n(C)c2n1 ZINC000019714540 558974576 /nfs/dbraw/zinc/97/45/76/558974576.db2.gz RCSXPEFYOJRNPI-UHFFFAOYSA-N 0 0 412.465 2.592 40 0 HFABRN COc1cccc([C@@H]2CCCN2C(=O)c2cc(C(C)C)nc3c2c(=O)[nH]c(=O)n3C)c1 ZINC000019714548 558974649 /nfs/dbraw/zinc/97/46/49/558974649.db2.gz XUTZMKGXTDAGTB-SFHVURJKSA-N 0 0 422.485 2.731 40 0 HFABRN Cc1nccn1Cc1ccccc1NC(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O ZINC000019715420 558976276 /nfs/dbraw/zinc/97/62/76/558976276.db2.gz RKVGMKDTRIJICZ-UHFFFAOYSA-N 0 0 409.490 2.679 40 0 HFABRN CCn1nc(C(=O)NCc2c[nH]nc2-c2ccc(OC)cc2)c2ccccc2c1=O ZINC000019717047 558979381 /nfs/dbraw/zinc/97/93/81/558979381.db2.gz WGORGOYKPWYWDN-UHFFFAOYSA-N 0 0 403.442 2.745 40 0 HFABRN COc1nn(Cc2cc(=O)[nH]c(N[C@@H](C)c3ccccc3)n2)c(=O)c2ccccc21 ZINC000019717558 558980355 /nfs/dbraw/zinc/98/03/55/558980355.db2.gz LQADBSHQIBBINK-AWEZNQCLSA-N 0 0 403.442 2.710 40 0 HFABRN Cc1cc(C)n(-c2ccc(OCC(=O)N(C)Cc3ccc4c(c3)C[C@H](C)O4)nn2)n1 ZINC000019718880 558982366 /nfs/dbraw/zinc/98/23/66/558982366.db2.gz 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FRADBOISHSOKPV-FQEVSTJZSA-N 0 0 408.454 2.950 40 0 HFABRN C/C=C/C(=O)N1CCC(c2nc3c(nnn3Cc3ccccc3Cl)c(=O)[nH]2)CC1 ZINC000018206185 560871497 /nfs/dbraw/zinc/87/14/97/560871497.db2.gz XKDUCBNPKAZPKH-GORDUTHDSA-N 0 0 412.881 2.911 40 0 HFABRN COc1ccc(Cn2nnnc2[C@@H](c2ccccc2Cl)N2CCN(C)CC2)cc1 ZINC000019589926 560874364 /nfs/dbraw/zinc/87/43/64/560874364.db2.gz NWVBNLVVVMQVRG-HXUWFJFHSA-N 0 0 412.925 2.720 40 0 HFABRN Cc1ccc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)N3CCN(C)CC3)cc12 ZINC000019940846 560877193 /nfs/dbraw/zinc/87/71/93/560877193.db2.gz PFYZWIWDLYZVNQ-NRFANRHFSA-N 0 0 421.549 2.583 40 0 HFABRN CC[C@H](C)NC(=S)N(CCN1CCOCC1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000020081303 560880398 /nfs/dbraw/zinc/88/03/98/560880398.db2.gz RJHGQGUWHYWOPO-KRWDZBQOSA-N 0 0 416.591 2.644 40 0 HFABRN CCN1CCN([C@H](c2nnnn2C(C)(C)CC)c2cccc(OC)c2OC)CC1 ZINC000020140137 560881286 /nfs/dbraw/zinc/88/12/86/560881286.db2.gz XFOAZAMIEIKYIR-SFHVURJKSA-N 0 0 402.543 2.562 40 0 HFABRN COc1ccc(NC(=O)[C@@H]2O[C@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@@H]32)cc1Cl ZINC000004587934 560898442 /nfs/dbraw/zinc/89/84/42/560898442.db2.gz HBNFQVOARRYRIC-XGYYKPKNSA-N 0 0 413.854 2.684 40 0 HFABRN COC(=O)c1ccc(NC(=O)c2ccc(CS(=O)(=O)N3CCCC3)cc2)cc1 ZINC000216405388 568465076 /nfs/dbraw/zinc/46/50/76/568465076.db2.gz USFQZALNRJIPNM-UHFFFAOYSA-N 0 0 402.472 2.651 40 0 HFABRN CCS(=O)(=O)N(C)c1ccc(C(=O)NCc2ccc(-n3ccnc3C)cc2)cc1 ZINC000216449459 568465350 /nfs/dbraw/zinc/46/53/50/568465350.db2.gz KREDNMJAJDUEFS-UHFFFAOYSA-N 0 0 412.515 2.897 40 0 HFABRN CC[C@@H](C(=O)NCCN(C)c1ccccc1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000219114192 568486988 /nfs/dbraw/zinc/48/69/88/568486988.db2.gz JGSFZMVDXLJGPR-IBGZPJMESA-N 0 0 407.511 2.623 40 0 HFABRN COc1cccc(-c2noc(CN(C)C(=O)c3cccc(CN4CCOCC4)c3)n2)c1 ZINC000219248948 568488547 /nfs/dbraw/zinc/48/85/47/568488547.db2.gz UWDXBQXFHRVLCR-UHFFFAOYSA-N 0 0 422.485 2.850 40 0 HFABRN CC(C)C[C@@H](c1nnnn1C[C@@H]1CCCO1)N1CCN(c2ccccc2F)CC1 ZINC000057670514 568494759 /nfs/dbraw/zinc/49/47/59/568494759.db2.gz IPKKVJVZGIHVBY-PXNSSMCTSA-N 0 0 402.518 2.901 40 0 HFABRN COc1cccc(CCCNC(=O)CCCN(C)S(=O)(=O)c2ccccc2)c1 ZINC000219721398 568497654 /nfs/dbraw/zinc/49/76/54/568497654.db2.gz DEGPKISLTXGMFS-UHFFFAOYSA-N 0 0 404.532 2.845 40 0 HFABRN CC(C)Oc1cccc(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c1 ZINC000219988634 568500981 /nfs/dbraw/zinc/50/09/81/568500981.db2.gz CABUUUCHUOKZGC-UHFFFAOYSA-N 0 0 404.488 2.747 40 0 HFABRN CSc1cccc(N(CC(=O)NCCOc2ccc(C)cc2)S(C)(=O)=O)c1 ZINC000220070987 568502092 /nfs/dbraw/zinc/50/20/92/568502092.db2.gz CWLWBIGBWQUYKF-UHFFFAOYSA-N 0 0 408.545 2.678 40 0 HFABRN COc1cccc(N([C@H](C)C(=O)NCCSc2ccccc2)S(C)(=O)=O)c1 ZINC000220160945 568502893 /nfs/dbraw/zinc/50/28/93/568502893.db2.gz YBTMNEKBGOCTQV-OAHLLOKOSA-N 0 0 408.545 2.758 40 0 HFABRN COc1cccc(N([C@H](C)C(=O)NCCCc2cccc(C)c2)S(C)(=O)=O)c1 ZINC000220178629 568503125 /nfs/dbraw/zinc/50/31/25/568503125.db2.gz JQXIVDCAYJKCLX-QGZVFWFLSA-N 0 0 404.532 2.907 40 0 HFABRN COc1ccc([C@@H](C)NC(=O)[C@@H](C)N(c2cccc(OC)c2)S(C)(=O)=O)cc1 ZINC000220182068 568503134 /nfs/dbraw/zinc/50/31/34/568503134.db2.gz GGSIVQBIIVVSEG-HUUCEWRRSA-N 0 0 406.504 2.736 40 0 HFABRN COc1ccc(CCCNC(=O)[C@H](C)N(c2cccc(OC)c2)S(C)(=O)=O)cc1 ZINC000220177512 568503141 /nfs/dbraw/zinc/50/31/41/568503141.db2.gz TUNNPIQTIMOAEV-INIZCTEOSA-N 0 0 420.531 2.607 40 0 HFABRN CCOc1cccc(NC(=O)[C@H](C)N(c2cc(OC)ccc2OC)S(C)(=O)=O)c1 ZINC000220220266 568503568 /nfs/dbraw/zinc/50/35/68/568503568.db2.gz WIMGKRKDKWVLCC-AWEZNQCLSA-N 0 0 422.503 2.896 40 0 HFABRN CCOc1ccc(NC(=O)[C@@H](C)N(c2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1 ZINC000220227002 568503697 /nfs/dbraw/zinc/50/36/97/568503697.db2.gz DEBJCTIPCFAWJR-CQSZACIVSA-N 0 0 422.503 2.896 40 0 HFABRN CCc1ccc(N([C@H](C)C(=O)NCCOc2ccc(C)cc2)S(C)(=O)=O)cc1 ZINC000220283748 568504294 /nfs/dbraw/zinc/50/42/94/568504294.db2.gz OVRBUGMKZBNGMW-QGZVFWFLSA-N 0 0 404.532 2.907 40 0 HFABRN CCOC(=O)c1ccc(NC(=O)[C@@H](C)N(c2ccccc2F)S(C)(=O)=O)cc1 ZINC000220295241 568504360 /nfs/dbraw/zinc/50/43/60/568504360.db2.gz GWOSZWSNMDHLGP-CYBMUJFWSA-N 0 0 408.451 2.796 40 0 HFABRN COc1ccc(C)cc1N([C@@H](C)C(=O)Nc1cccc(C(C)=O)c1)S(C)(=O)=O ZINC000220338107 568504830 /nfs/dbraw/zinc/50/48/30/568504830.db2.gz OVKXZBSZFDIWGY-AWEZNQCLSA-N 0 0 404.488 2.999 40 0 HFABRN CCOc1ccccc1CNC(=O)[C@H](C)N(c1cc(C)ccc1OC)S(C)(=O)=O ZINC000220346346 568504895 /nfs/dbraw/zinc/50/48/95/568504895.db2.gz YPZFHNVAEGBOBB-INIZCTEOSA-N 0 0 420.531 2.873 40 0 HFABRN Cc1ccccc1OC[C@H](C)NC(=O)[C@H](C)N(c1cccc(F)c1)S(C)(=O)=O ZINC000220488327 568506095 /nfs/dbraw/zinc/50/60/95/568506095.db2.gz WKKSVEJHRPBOIY-HOTGVXAUSA-N 0 0 408.495 2.872 40 0 HFABRN CC[C@H](C(=O)Nc1ccc2c(c1)OCCO2)N(c1ccccc1F)S(C)(=O)=O ZINC000220593744 568507275 /nfs/dbraw/zinc/50/72/75/568507275.db2.gz XUCXNFQKKFFHGG-OAHLLOKOSA-N 0 0 408.451 2.780 40 0 HFABRN CC[C@@H](C(=O)Nc1ccc2c(c1)OCO2)N(c1ccc(OC)cc1)S(C)(=O)=O ZINC000220642848 568507781 /nfs/dbraw/zinc/50/77/81/568507781.db2.gz JKEDAKYLMLOXED-INIZCTEOSA-N 0 0 406.460 2.607 40 0 HFABRN CC[C@@H](C(=O)Nc1cccc(C(=O)OC)c1)N(c1ccc(OC)cc1)S(C)(=O)=O ZINC000220651423 568507944 /nfs/dbraw/zinc/50/79/44/568507944.db2.gz GDCYYCLEYOXRJC-SFHVURJKSA-N 0 0 420.487 2.665 40 0 HFABRN CCOc1cccc(CNC(=O)[C@@H](CC)N(c2ccc(OC)cc2)S(C)(=O)=O)c1 ZINC000220656086 568508101 /nfs/dbraw/zinc/50/81/01/568508101.db2.gz DKOPEHUHOXPVNA-HXUWFJFHSA-N 0 0 420.531 2.955 40 0 HFABRN CC[C@@H](C(=O)Nc1ccccc1C(N)=O)N(c1cc(Cl)ccc1C)S(C)(=O)=O ZINC000220719663 568508652 /nfs/dbraw/zinc/50/86/52/568508652.db2.gz FFZQEMHPCSIHNQ-INIZCTEOSA-N 0 0 423.922 2.931 40 0 HFABRN CCN(c1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1)S(=O)(=O)CC ZINC000222394070 568515120 /nfs/dbraw/zinc/51/51/20/568515120.db2.gz YGQFJZCWVRHIOR-UHFFFAOYSA-N 0 0 419.522 2.964 40 0 HFABRN Cc1ccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)cc1N(C)S(C)(=O)=O ZINC000222463002 568516251 /nfs/dbraw/zinc/51/62/51/568516251.db2.gz SWMWYPJXPPMXGU-UHFFFAOYSA-N 0 0 401.488 2.770 40 0 HFABRN CN(c1ccc(Cl)c(C(=O)N2CCN(Cc3ccccc3)CC2)c1)S(C)(=O)=O ZINC000222493987 568516649 /nfs/dbraw/zinc/51/66/49/568516649.db2.gz CMNCECPOHFZXDM-UHFFFAOYSA-N 0 0 421.950 2.694 40 0 HFABRN COc1ccc(CN(C)C(=O)CCCN(c2ccc(OC)cc2)S(C)(=O)=O)cc1 ZINC000222597407 568519779 /nfs/dbraw/zinc/51/97/79/568519779.db2.gz CQZBAXRNJGIXGN-UHFFFAOYSA-N 0 0 420.531 2.909 40 0 HFABRN CCOc1ccc(N(CCCC(=O)NCCc2ccccc2)S(C)(=O)=O)cc1 ZINC000222616313 568520856 /nfs/dbraw/zinc/52/08/56/568520856.db2.gz RZMPTDAJVVJBSV-UHFFFAOYSA-N 0 0 404.532 2.990 40 0 HFABRN COc1ccc(S(=O)(=O)N(CCc2ccccc2)Cc2nnc(N)s2)cc1 ZINC000222640294 568521954 /nfs/dbraw/zinc/52/19/54/568521954.db2.gz JTGQQQSWVUPUAO-UHFFFAOYSA-N 0 0 404.517 2.563 40 0 HFABRN CC[C@H](C)NS(=O)(=O)c1ccc(OCC(=O)N(C)c2cccc(OC)c2)cc1 ZINC000222663578 568522783 /nfs/dbraw/zinc/52/27/83/568522783.db2.gz PKENTILCHPDOPQ-HNNXBMFYSA-N 0 0 406.504 2.814 40 0 HFABRN CSc1nnc(NC(=O)c2ccc(CS(=O)(=O)N3CCCCC3)cc2)s1 ZINC000222723416 568524827 /nfs/dbraw/zinc/52/48/27/568524827.db2.gz UJHODKSOBSQCEK-UHFFFAOYSA-N 0 0 412.562 2.828 40 0 HFABRN Cc1ccc(CN(CC(=O)NCc2cccc(OC(C)C)c2)S(C)(=O)=O)cc1 ZINC000222728105 568524960 /nfs/dbraw/zinc/52/49/60/568524960.db2.gz UBNGXNRDEAPFPF-UHFFFAOYSA-N 0 0 404.532 2.860 40 0 HFABRN Cc1ccc(C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)cc1N(C)S(C)(=O)=O ZINC000222731773 568525036 /nfs/dbraw/zinc/52/50/36/568525036.db2.gz BQEJESAZBKTCAZ-AWEZNQCLSA-N 0 0 404.488 2.653 40 0 HFABRN COc1cccc(N(C)C(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc2C)c1 ZINC000222774451 568526189 /nfs/dbraw/zinc/52/61/89/568526189.db2.gz GSPWZQVAVBPUIM-UHFFFAOYSA-N 0 0 418.515 2.830 40 0 HFABRN COc1ccc(-c2noc(CN(C)C(=O)COc3ccccc3F)n2)c(OC)c1 ZINC000222779638 568526340 /nfs/dbraw/zinc/52/63/40/568526340.db2.gz BDNLCDDUGKXLQO-UHFFFAOYSA-N 0 0 401.394 2.930 40 0 HFABRN CS(=O)(=O)N(CC(=O)Nc1nnc(-c2ccccc2)s1)c1ccc(F)cc1 ZINC000222836859 568527876 /nfs/dbraw/zinc/52/78/76/568527876.db2.gz QMYFOYPMMBEMMT-UHFFFAOYSA-N 0 0 406.464 2.749 40 0 HFABRN C[C@@H](C(=O)NCCCO)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1Cl ZINC000222878371 568529298 /nfs/dbraw/zinc/52/92/98/568529298.db2.gz CLQYRJIFJZLZFO-HNNXBMFYSA-N 0 0 422.884 2.774 40 0 HFABRN Cc1ccc(N(C)C(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1C ZINC000222892893 568529854 /nfs/dbraw/zinc/52/98/54/568529854.db2.gz AEHZRRSOPBMTPQ-UHFFFAOYSA-N 0 0 416.543 2.920 40 0 HFABRN CCNC(=O)c1cc(S(=O)(=O)NCc2cccc(C(F)(F)F)c2)ccc1OC ZINC000222982639 568533101 /nfs/dbraw/zinc/53/31/01/568533101.db2.gz QJFSHYRXTLUFRC-UHFFFAOYSA-N 0 0 416.421 2.942 40 0 HFABRN O=C(Cc1ccccc1)N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NCCO ZINC000223062021 568536153 /nfs/dbraw/zinc/53/61/53/568536153.db2.gz VAODDKJPIATBND-DEOSSOPVSA-N 0 0 416.521 2.978 40 0 HFABRN CC[C@H](NC(=O)CN(Cc1ccccc1)S(C)(=O)=O)c1ccc(OC)c(OC)c1 ZINC000223061245 568536175 /nfs/dbraw/zinc/53/61/75/568536175.db2.gz YQYFGEFLDQZBQF-SFHVURJKSA-N 0 0 420.531 2.733 40 0 HFABRN Cc1ccc(CSCCNC(=O)COc2ccc(N(C)S(C)(=O)=O)cc2)cc1 ZINC000223065344 568536274 /nfs/dbraw/zinc/53/62/74/568536274.db2.gz MMUJUBZARPWMCL-UHFFFAOYSA-N 0 0 422.572 2.819 40 0 HFABRN CC(C)(C)n1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c1 ZINC000223135344 568539093 /nfs/dbraw/zinc/53/90/93/568539093.db2.gz XSWDADAYHCCHGH-UXHICEINSA-N 0 0 413.591 2.943 40 0 HFABRN COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N(C)C)c(C)c2)cc1Cl ZINC000223246905 568542356 /nfs/dbraw/zinc/54/23/56/568542356.db2.gz GKCRJRBWLIBBSP-UHFFFAOYSA-N 0 0 412.895 2.925 40 0 HFABRN CC[C@@H](C(=O)Nc1nnc(SC)s1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000223243228 568542375 /nfs/dbraw/zinc/54/23/75/568542375.db2.gz IHQPEDZZPDDJQA-NSHDSACASA-N 0 0 404.514 2.582 40 0 HFABRN CCC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](C)COc3ccc(OC)cc3)ccc21 ZINC000223308622 568544721 /nfs/dbraw/zinc/54/47/21/568544721.db2.gz ZPWCQEYRJUNTGN-HNNXBMFYSA-N 0 0 418.515 2.740 40 0 HFABRN CCOc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cc1OCC ZINC000026319614 568545707 /nfs/dbraw/zinc/54/57/07/568545707.db2.gz KXGBXRYLOGOARS-UHFFFAOYSA-N 0 0 404.532 2.991 40 0 HFABRN COc1ccc(S(=O)(=O)N(C)CC(=O)NCCCc2ccccc2Cl)cc1 ZINC000223382346 568547204 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Cc1cc(Nc2cnccn2)nc([C@H]2CCCCN2C(=O)/C=C/c2cccnc2)n1 ZINC000585292159 571307800 /nfs/dbraw/zinc/30/78/00/571307800.db2.gz FIZDZHGPEFVFTN-LKGOPFMKSA-N 0 0 401.474 3.481 40 0 HFABRN OCCCNc1nc(Nc2ccc(N3CCOCC3)cc2)cc(-c2ccccc2)n1 ZINC000329048397 571308348 /nfs/dbraw/zinc/30/83/48/571308348.db2.gz UJTCLINVGXNMSR-UHFFFAOYSA-N 0 0 405.502 3.518 40 0 HFABRN COc1ccc2nc(NC(=S)NC(=O)c3ccc4nsnc4c3)sc2c1 ZINC000057315872 571309412 /nfs/dbraw/zinc/30/94/12/571309412.db2.gz BKKIOYWUBHLUBM-UHFFFAOYSA-N 0 0 401.498 3.436 40 0 HFABRN CCc1nnc([N-]c2cc(C)nc([C@@H]3CCCCN3C(=O)/C=C/C[NH+](C)C)n2)s1 ZINC000585292740 571310018 /nfs/dbraw/zinc/31/00/18/571310018.db2.gz SCUAJHSSGDGDKL-HQPKTYMTSA-N 0 0 415.567 3.114 40 0 HFABRN CC(=O)N[C@H]1CC[C@]2(C)CC[C@@H]([C@H](C)C(=O)NCc3cccnc3)[C@H](O)[C@H]2[C@@H]1C ZINC000020466160 575368941 /nfs/dbraw/zinc/36/89/41/575368941.db2.gz XYIVJYVJZFZWEX-QUQWJHQFSA-N 0 0 401.551 2.662 40 0 biogenic,in-vitro HFABRN CC1(C)CN(C(=O)NCc2ccccc2)C[C@@H]2CN(C(=O)Cc3ccccc3)CCN21 ZINC000253399487 291217248 /nfs/dbraw/zinc/21/72/48/291217248.db2.gz JMMAJWCPMYLHJH-QFIPXVFZSA-N 0 0 420.557 2.746 40 0 biogenic,in-vitro HFABRN CC1(C)CN(S(=O)(=O)c2ccccc2)C[C@@H]2CN(Cc3ccc(F)cc3)CCN21 ZINC000253403967 291217615 /nfs/dbraw/zinc/21/76/15/291217615.db2.gz QSWWQWAJVKHROM-FQEVSTJZSA-N 0 0 417.550 2.795 40 0 biogenic,in-vitro HFABRN CC(C)(C)C(=O)NC[C@H]1O[C@H](Cc2cc(COc3ccccc3)on2)CC[C@@H]1O ZINC000077262919 291216315 /nfs/dbraw/zinc/21/63/15/291216315.db2.gz SGUFEUIHQPGLSQ-YSIASYRMSA-N 0 0 402.491 2.867 40 0 biogenic,in-vitro HFABRN CCCS(=O)(=O)N1C[C@@H]2C[C@H](C1)c1c(-c3ccc(OC)cc3)ccc(=O)n1C2 ZINC000004237377 291218812 /nfs/dbraw/zinc/21/88/12/291218812.db2.gz DZKYDNAMCPQYMJ-DOTOQJQBSA-N 0 0 402.516 2.683 40 0 biogenic,in-vitro HFABRN CCOCCN1C(=O)COC[C@@H]1[C@H](O)c1ccc(NC(=O)C2CCCCC2)cc1 ZINC000067896963 291219357 /nfs/dbraw/zinc/21/93/57/291219357.db2.gz YMQGYTCBTSSBHF-TZIWHRDSSA-N 0 0 404.507 2.503 40 0 biogenic,in-vitro HFABRN Cc1ccc2occ(CN3CCc4nc(N5CCC(C)CC5)[nH]c(=O)c4C3)c(=O)c2c1 ZINC000012183072 132356043 /nfs/dbraw/zinc/35/60/43/132356043.db2.gz AORCIIUUTJZHOW-UHFFFAOYSA-N 0 0 420.513 2.979 40 0 HFABRN Cc1cc(N2CCN(C[C@H](O)c3ccc4c(c3)OCCCO4)CC2)nc(C(C)C)n1 ZINC000012330618 132358932 /nfs/dbraw/zinc/35/89/32/132358932.db2.gz VOBFEIVESOZZAK-IBGZPJMESA-N 0 0 412.534 2.925 40 0 HFABRN CC[C@H](C(=O)N1CC(=O)Nc2ccccc21)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000013713810 132459025 /nfs/dbraw/zinc/45/90/25/132459025.db2.gz LHYBYJJLHCRZLS-QGZVFWFLSA-N 0 0 401.488 2.525 40 0 HFABRN CCS(=O)(=O)N1CCN(c2nnc(-c3cccs3)c(-c3cccs3)n2)CC1 ZINC000019520379 132467690 /nfs/dbraw/zinc/46/76/90/132467690.db2.gz GYBNIIQFWCZWRA-UHFFFAOYSA-N 0 0 421.573 2.800 40 0 HFABRN COCCn1nnnc1[C@H](c1ccccc1F)N1CCN(c2ccc(F)cc2)CC1 ZINC000019594101 132468266 /nfs/dbraw/zinc/46/82/66/132468266.db2.gz GQTSEMBNRIAHCX-FQEVSTJZSA-N 0 0 414.460 2.509 40 0 HFABRN Cc1ccc(C(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)cc1N1CCOCC1 ZINC000019664087 132468705 /nfs/dbraw/zinc/46/87/05/132468705.db2.gz VZQISVGPLJGRIV-UHFFFAOYSA-N 0 0 415.515 2.624 40 0 HFABRN Cc1nc([C@@H]2CCCCN2S(C)(=O)=O)nc2c1CCCN2CCc1ccccn1 ZINC000019706890 132469102 /nfs/dbraw/zinc/46/91/02/132469102.db2.gz ALVOLSYCBZJFSR-IBGZPJMESA-N 0 0 415.563 2.662 40 0 HFABRN COCC(=O)N1CCC[C@@H]1c1nc(C)c2c(n1)N(Cc1ccccc1OC)C(=O)CC2 ZINC000019740378 132469638 /nfs/dbraw/zinc/46/96/38/132469638.db2.gz HZANRNXEQAJILA-GOSISDBHSA-N 0 0 424.501 2.583 40 0 HFABRN Cc1cnc(C(=O)N2CCCC[C@@H]2c2nc(C)c3c(n2)N(C2CC2)C(=O)CC3)cn1 ZINC000019740975 132469766 /nfs/dbraw/zinc/46/97/66/132469766.db2.gz MUCLBFOLGJCHDB-GOSISDBHSA-N 0 0 406.490 2.692 40 0 HFABRN Cc1cnc(C(=O)N2CCC[C@H](c3nc(C)c4c(n3)N(CC3CC3)C(=O)CC4)C2)cn1 ZINC000019741276 132469778 /nfs/dbraw/zinc/46/97/78/132469778.db2.gz CEUIXXRCSDIOHJ-KRWDZBQOSA-N 0 0 420.517 2.592 40 0 HFABRN Nc1nc(N2CCCCC2)nc2c1[C@@H](C(=O)Nc1ccccc1Cl)CC(=O)N2 ZINC000020635678 132470468 /nfs/dbraw/zinc/47/04/68/132470468.db2.gz APEIHSYARLDNQP-NSHDSACASA-N 0 0 400.870 2.767 40 0 HFABRN CC(C)CNC(=O)C1CCN(S(=O)(=O)Cc2cccc(Br)c2)CC1 ZINC000020493373 519733345 /nfs/dbraw/zinc/73/33/45/519733345.db2.gz RAYIVYIHAZBMCI-UHFFFAOYSA-N 0 0 417.369 2.763 40 0 HFABRN CC(C)Oc1cccc(CNC(=O)[C@@H]2CCN(S(C)(=O)=O)c3ccccc3O2)c1 ZINC000044882718 519783230 /nfs/dbraw/zinc/78/32/30/519783230.db2.gz UGMAJWYAYRZRBU-FQEVSTJZSA-N 0 0 418.515 2.707 40 0 HFABRN CCCC[C@@H](OC(=O)CN1C(=O)COc2ccccc21)C(=O)NC1CCCCC1 ZINC000015935391 521106422 /nfs/dbraw/zinc/10/64/22/521106422.db2.gz LZHFNFMCUUXHON-LJQANCHMSA-N 0 0 402.491 2.963 40 0 HFABRN CCC(CC)C(=O)Nc1ccc([C@H]2OCC(=O)N(Cc3cccnc3)[C@@H]2CO)cc1 ZINC000072321228 521502634 /nfs/dbraw/zinc/50/26/34/521502634.db2.gz JYUGEBQUPSLTFG-IFMALSPDSA-N 0 0 411.502 2.917 40 0 biogenic,in-vitro HFABRN CCS(=O)(=O)N(CC(=O)N[C@H](C)c1ccc(C)cc1)c1ccc2c(c1)OCO2 ZINC000044880526 521659201 /nfs/dbraw/zinc/65/92/01/521659201.db2.gz OFGJVAREBCGMAW-OAHLLOKOSA-N 0 0 404.488 2.757 40 0 HFABRN CCS(=O)(=O)N(CC(=O)N[C@H](C)c1ccc(C)cc1)c1ccc2c(c1)OCCO2 ZINC000020494490 521659329 /nfs/dbraw/zinc/65/93/29/521659329.db2.gz RPUXKBOVGIYBLY-MRXNPFEDSA-N 0 0 418.515 2.800 40 0 HFABRN COC(=O)c1ccccc1NC(=O)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1 ZINC000019935671 522281680 /nfs/dbraw/zinc/28/16/80/522281680.db2.gz QPDBHWMJCLWZEI-UHFFFAOYSA-N 0 0 406.435 2.649 40 0 HFABRN COc1cc(N2CCC[C@@H](C)C2)nc(NC(=S)NCc2ccc3c(c2)OCO3)n1 ZINC000226011537 522633882 /nfs/dbraw/zinc/63/38/82/522633882.db2.gz SEOBEGVORDXCSY-CYBMUJFWSA-N 0 0 415.519 2.937 40 0 HFABRN CC[C@H](Oc1ccc(F)cc1)C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000044903217 522875222 /nfs/dbraw/zinc/87/52/22/522875222.db2.gz HNTSERHMBKIURH-IBGZPJMESA-N 0 0 406.479 2.823 40 0 HFABRN CC[C@H]1CCCCN1c1nc2c(c(=O)[nH]1)[C@@H](C(=O)Nc1ccc(F)cc1)CC(=O)N2 ZINC000040390455 523030964 /nfs/dbraw/zinc/03/09/64/523030964.db2.gz AIQGHYJOMWWFBE-GJZGRUSLSA-N 0 0 413.453 2.742 40 0 HFABRN CC[C@@H]1CCCCN1c1nc2c(c(=O)[nH]1)[C@@H](C(=O)Nc1ccccc1C)CC(=O)N2 ZINC000040390545 523179694 /nfs/dbraw/zinc/17/96/94/523179694.db2.gz MARWDCIELBFVHS-CABCVRRESA-N 0 0 409.490 2.912 40 0 HFABRN COc1ccc(/C=C/C(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 ZINC000020033597 523391140 /nfs/dbraw/zinc/39/11/40/523391140.db2.gz NOVZCOYTSOGWLD-MDWZMJQESA-N 0 0 400.500 2.809 40 0 HFABRN CCn1nc(C)c(-c2cc(C(=O)N3CCC(O)(c4cccnc4F)CC3)[nH]n2)c1C ZINC000072340068 523621590 /nfs/dbraw/zinc/62/15/90/523621590.db2.gz CXTYEPIRCIRPMJ-UHFFFAOYSA-N 0 0 412.469 2.568 40 0 HFABRN CN(c1cccc(NC(=S)NCc2nc(-c3ccccc3)no2)c1)S(C)(=O)=O ZINC000225813412 523646252 /nfs/dbraw/zinc/64/62/52/523646252.db2.gz YIELRBMUWAWLSC-UHFFFAOYSA-N 0 0 417.516 2.619 40 0 HFABRN COc1ccc(CN2C(=O)CO[C@H](c3ccc(NC(=O)C4CCC4)cc3)[C@H]2CO)cc1 ZINC000072321347 524019497 /nfs/dbraw/zinc/01/94/97/524019497.db2.gz PNWUVYABJBYUKO-FYYLOGMGSA-N 0 0 424.497 2.895 40 0 biogenic,in-vitro HFABRN Cc1ccc(CN(C)C(=O)CN(c2cc(C)ccc2C)S(=O)(=O)N(C)C)cc1 ZINC000044849858 524364115 /nfs/dbraw/zinc/36/41/15/524364115.db2.gz CVDUIYHZFBTNLB-UHFFFAOYSA-N 0 0 403.548 2.883 40 0 HFABRN COc1ccccc1CCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000044845995 524402989 /nfs/dbraw/zinc/40/29/89/524402989.db2.gz YAFUJHPCYZZIPC-QGZVFWFLSA-N 0 0 422.572 2.906 40 0 HFABRN Cc1cc(C)cc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4C[C@H](C)C[C@H](C)C4)[nH]c(=O)c32)c1 ZINC000040388659 524432195 /nfs/dbraw/zinc/43/21/95/524432195.db2.gz XWWYXCLKWNGGRK-HLLBOEOZSA-N 0 0 423.517 2.934 40 0 HFABRN COc1ccccc1N1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2Cl)CC1 ZINC000020112492 524549120 /nfs/dbraw/zinc/54/91/20/524549120.db2.gz ACIFDOHKNJPSCY-UHFFFAOYSA-N 0 0 423.922 2.683 40 0 HFABRN COc1ccc(OC)c(N2C(SCc3ccccc3)=N[C@@H]3CS(=O)(=O)C[C@H]32)c1 ZINC000032640575 524843093 /nfs/dbraw/zinc/84/30/93/524843093.db2.gz QWAAOHDIWFVSKV-SJLPKXTDSA-N 0 0 418.540 2.979 40 0 HFABRN COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccc(F)cc3)C2)cc1C ZINC000020016791 525028830 /nfs/dbraw/zinc/02/88/30/525028830.db2.gz NWTUDIMZFUYRAK-QGZVFWFLSA-N 0 0 420.506 2.860 40 0 HFABRN COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N[C@H](C)c1ccc(C)cc1 ZINC000020108949 525041450 /nfs/dbraw/zinc/04/14/50/525041450.db2.gz JCZFOTNFIGASAN-MRXNPFEDSA-N 0 0 418.515 2.516 40 0 HFABRN Cc1ccc(OCC(=O)Nc2nnc(S(=O)(=O)N(C)c3ccccc3)s2)cc1 ZINC000041085475 525398655 /nfs/dbraw/zinc/39/86/55/525398655.db2.gz WMHWXSGZBHEEJV-UHFFFAOYSA-N 0 0 418.500 2.689 40 0 HFABRN Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)Oc3ccccc3C)CC2)cc1 ZINC000044900932 525538824 /nfs/dbraw/zinc/53/88/24/525538824.db2.gz VZLCUKKFRXTQDF-GOSISDBHSA-N 0 0 402.516 2.604 40 0 HFABRN Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)NCc1ccc(OC(C)C)cc1)O2 ZINC000044932273 526170166 /nfs/dbraw/zinc/17/01/66/526170166.db2.gz IWHFLWQMCISAME-FQEVSTJZSA-N 0 0 418.515 2.626 40 0 HFABRN Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)NCc1ccc(OC(C)C)cc1)O2 ZINC000044932271 526170577 /nfs/dbraw/zinc/17/05/77/526170577.db2.gz IWHFLWQMCISAME-HXUWFJFHSA-N 0 0 418.515 2.626 40 0 HFABRN Cc1cc(C(=O)N2CCC[C@H]([C@@H]3Nc4ccccc4S(=O)(=O)N3)C2)sc1C ZINC000072342609 526250264 /nfs/dbraw/zinc/25/02/64/526250264.db2.gz PZOOUWVBIOWBMD-KBXCAEBGSA-N 0 0 405.545 2.947 40 0 HFABRN c1ccc(CN2CCN([C@H](c3nnnn3C[C@H]3CCCO3)c3ccccc3)CC2)cc1 ZINC000020140624 526469868 /nfs/dbraw/zinc/46/98/68/526469868.db2.gz QNGRWJFGRMPRSD-PKTZIBPZSA-N 0 0 418.545 2.759 40 0 HFABRN O=C(CN1C(=O)S/C(=C\C=C\c2ccccc2)C1=O)N[C@H](CO)Cc1ccccc1 ZINC000043730378 526715269 /nfs/dbraw/zinc/71/52/69/526715269.db2.gz NBPHRJSHBAOWLB-KWPSNMDISA-N 0 0 422.506 2.999 40 0 HFABRN Cc1nc(C2CCN(C(=O)c3cc[nH]n3)CC2)ncc1C(=O)NCc1ccc(F)cc1 ZINC000019766588 526778332 /nfs/dbraw/zinc/77/83/32/526778332.db2.gz NHHWTOHVOPHYEO-UHFFFAOYSA-N 0 0 422.464 2.597 40 0 HFABRN Cc1nc(CC(=O)N2CCN(c3ccccc3)C[C@H](Cc3cnccn3)C2)cs1 ZINC000072353579 526787298 /nfs/dbraw/zinc/78/72/98/526787298.db2.gz AUCPAUHZDQJOLL-SFHVURJKSA-N 0 0 407.543 2.992 40 0 HFABRN Cc1nc2c(cc(-c3ccc(C)cc3)nc2C(=O)NC2CC2)n1[C@H]1CCS(=O)(=O)C1 ZINC000032616052 527097298 /nfs/dbraw/zinc/09/72/98/527097298.db2.gz RFJOHJUMOKPEMY-KRWDZBQOSA-N 0 0 424.526 2.967 40 0 HFABRN O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CC(=O)Nc2nc(N3CCCC3)[nH]c(=O)c21 ZINC000019961276 527184265 /nfs/dbraw/zinc/18/42/65/527184265.db2.gz XGVVHUKLFHSSDW-JTQLQIEISA-N 0 0 422.272 2.741 40 0 HFABRN O=c1c2ccccc2n2c(S[C@H]3CCCCNC3=O)nnc2n1Cc1ccccc1 ZINC000032871636 527465796 /nfs/dbraw/zinc/46/57/96/527465796.db2.gz QTEAOJXLZQHYMI-SFHVURJKSA-N 0 0 419.510 2.853 40 0 HFABRN Cn1cnc(S(=O)(=O)N2CCC[C@H](c3nccnc3-c3ccc(F)cc3)C2)c1 ZINC000072359141 527486442 /nfs/dbraw/zinc/48/64/42/527486442.db2.gz ZOMJNKQWGHEZSL-HNNXBMFYSA-N 0 0 401.467 2.585 40 0 HFABRN CCC(=O)N1CCC[C@@H](c2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)on2)C1 ZINC000019498729 535300836 /nfs/dbraw/zinc/30/08/36/535300836.db2.gz GWCMSSIHBPTUJC-MRXNPFEDSA-N 0 0 414.481 2.892 40 0 HFABRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(OC)c(OC)cc3Cl)C2=O)o1 ZINC000034857587 557018332 /nfs/dbraw/zinc/01/83/32/557018332.db2.gz LNSPODFVNHKJRV-MLPAPPSSSA-N 0 0 420.805 2.830 40 0 HFABRN CCOc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)cc1 ZINC000000800389 557084559 /nfs/dbraw/zinc/08/45/59/557084559.db2.gz 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O=C(COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)NC1CCCC1 ZINC000408531428 557304577 /nfs/dbraw/zinc/30/45/77/557304577.db2.gz MZPVFYKIQFZAEI-UHFFFAOYSA-N 0 0 400.500 2.876 40 0 HFABRN CCOC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3ccccc3OC)CC2)cc1 ZINC000408556855 557453536 /nfs/dbraw/zinc/45/35/36/557453536.db2.gz DYMVIGQYWRTJSG-UHFFFAOYSA-N 0 0 419.503 2.775 40 0 HFABRN CCNC(=O)COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1Cl ZINC000408561767 557460243 /nfs/dbraw/zinc/46/02/43/557460243.db2.gz LANIKXUMMYZMQB-UHFFFAOYSA-N 0 0 408.907 2.996 40 0 HFABRN COc1ccc(Br)c2c1C(=O)[C@@H]([C@]1(O)c3ccccc3N(C)C1=O)C2 ZINC000408563904 557470816 /nfs/dbraw/zinc/47/08/16/557470816.db2.gz BJVOZVQOKKVXQL-HXPMCKFVSA-N 0 0 402.244 2.677 40 0 HFABRN Cc1ccc(NC(=O)Cn2cc(C(=O)C(=O)N3CCOCC3)c3ccccc32)cc1 ZINC000408574493 557478298 /nfs/dbraw/zinc/47/82/98/557478298.db2.gz UYMMWHMXKPTIJG-UHFFFAOYSA-N 0 0 405.454 2.630 40 0 HFABRN CC(C)CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)NCCc2ccccc2)cc1 ZINC000408597716 557507944 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40 0 HFABRN Nc1nc(N2CCCC2)nc2c1[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)CC(=O)N2 ZINC000019819992 558290402 /nfs/dbraw/zinc/29/04/02/558290402.db2.gz KBANLKYTIORLMD-LBPRGKRZSA-N 0 0 420.395 2.742 40 0 HFABRN CCc1nnc(NC(=O)CSc2n[nH]c(-c3cc(OC)cc(OC)c3)n2)s1 ZINC000019928994 558309142 /nfs/dbraw/zinc/30/91/42/558309142.db2.gz MMHMERDWPRIWLJ-UHFFFAOYSA-N 0 0 406.493 2.634 40 0 HFABRN CCN(CC(=O)NCc1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC)c(C)c1 ZINC000019929604 558309522 /nfs/dbraw/zinc/30/95/22/558309522.db2.gz ZEWLEBSKWSCFBU-UHFFFAOYSA-N 0 0 410.923 2.984 40 0 HFABRN COc1ccc([C@@H](C)NC(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)cc1 ZINC000019930778 558310121 /nfs/dbraw/zinc/31/01/21/558310121.db2.gz JOPCQMAOLJOKEU-OAHLLOKOSA-N 0 0 402.516 2.946 40 0 HFABRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000020005068 558318144 /nfs/dbraw/zinc/31/81/44/558318144.db2.gz CRJMSUIUGZDTKZ-MAUKXSAKSA-N 0 0 420.531 2.508 40 0 HFABRN COc1ccc(C)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)NC1CCCC1 ZINC000020006718 558318301 /nfs/dbraw/zinc/31/83/01/558318301.db2.gz RWHDURHCPSTHTE-IBGZPJMESA-N 0 0 416.543 2.952 40 0 HFABRN COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)NC1CC1 ZINC000020009353 558319000 /nfs/dbraw/zinc/31/90/00/558319000.db2.gz SIPWAOOAAMMUSZ-INIZCTEOSA-N 0 0 408.907 2.517 40 0 HFABRN COc1ccc(F)cc1S(=O)(=O)N(C)CC(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000020015903 558319958 /nfs/dbraw/zinc/31/99/58/558319958.db2.gz JFWXKTLCXLFJBA-LBPRGKRZSA-N 0 0 414.886 2.986 40 0 HFABRN CCN(CC(=O)Nc1ccc(F)c(F)c1F)S(=O)(=O)c1cc(F)ccc1OC ZINC000020016028 558319973 /nfs/dbraw/zinc/31/99/73/558319973.db2.gz RCCJAXUFFVZURA-UHFFFAOYSA-N 0 0 420.384 2.901 40 0 HFABRN COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)C(=O)Nc1cc(F)ccc1F ZINC000020016420 558320139 /nfs/dbraw/zinc/32/01/39/558320139.db2.gz MUMLZRGFGBOVPM-VIFPVBQESA-N 0 0 404.822 2.932 40 0 HFABRN CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccc(F)cc3)C2)cc1 ZINC000020017316 558320384 /nfs/dbraw/zinc/32/03/84/558320384.db2.gz AMUUATUNQCANNJ-QGZVFWFLSA-N 0 0 420.506 2.942 40 0 HFABRN CCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc3sc(C(=O)OC)cc3c2)C1 ZINC000020017612 558320569 /nfs/dbraw/zinc/32/05/69/558320569.db2.gz ZACWIFCRDCKOSR-GFCCVEGCSA-N 0 0 410.517 2.688 40 0 HFABRN CCCNS(=O)(=O)c1ccc(OCC(=O)N[C@@H](C)c2ccc(OC)cc2)cc1 ZINC000020019684 558320979 /nfs/dbraw/zinc/32/09/79/558320979.db2.gz DFLLHFVRULTONW-HNNXBMFYSA-N 0 0 406.504 2.640 40 0 HFABRN Cc1cc(S(=O)(=O)NCC(C)C)ccc1OCC(=O)NCc1ccc(F)cc1 ZINC000020021548 558321417 /nfs/dbraw/zinc/32/14/17/558321417.db2.gz VQXSQUUEJWCYMG-UHFFFAOYSA-N 0 0 408.495 2.764 40 0 HFABRN COc1ccc([C@@H](C)NC(=O)COc2ccc(S(=O)(=O)N(C)C)cc2C)cc1 ZINC000020022628 558321606 /nfs/dbraw/zinc/32/16/06/558321606.db2.gz XJJYQFAUJSNPHO-OAHLLOKOSA-N 0 0 406.504 2.510 40 0 HFABRN COc1ccc([C@H](C)NC(=O)c2ccc(OC)c(S(=O)(=O)NC(C)C)c2)cc1 ZINC000020024697 558321981 /nfs/dbraw/zinc/32/19/81/558321981.db2.gz ODWFGHBASNFVDW-AWEZNQCLSA-N 0 0 406.504 2.882 40 0 HFABRN COc1ccc([C@H](C)NC(=O)c2ccc(OC)c(S(=O)(=O)N3CCCC3)c2)cc1 ZINC000020024772 558322105 /nfs/dbraw/zinc/32/21/05/558322105.db2.gz GLVLGEIRZUQFNB-HNNXBMFYSA-N 0 0 418.515 2.979 40 0 HFABRN CN(C)S(=O)(=O)N(CC(=O)N(C)Cc1ccc(Cl)cc1)c1ccccc1F ZINC000020044231 558326778 /nfs/dbraw/zinc/32/67/78/558326778.db2.gz DGGPGISCPBRNHC-UHFFFAOYSA-N 0 0 413.902 2.751 40 0 HFABRN COc1ccc([C@H](C)NC(=O)[C@@H](C)N(c2ccccc2)S(C)(=O)=O)cc1OC ZINC000020043725 558326801 /nfs/dbraw/zinc/32/68/01/558326801.db2.gz SLCAHBUWKJMQDR-LSDHHAIUSA-N 0 0 406.504 2.736 40 0 HFABRN COc1ccc(CCNc2c(-c3cnc(N(C)C)nc3)nc3cnccn32)cc1OC ZINC000012113893 558327095 /nfs/dbraw/zinc/32/70/95/558327095.db2.gz HWYUZTCYLFMJSG-UHFFFAOYSA-N 0 0 419.489 2.924 40 0 HFABRN Cc1cc2c(cc3c(=O)n(CC(=O)N(Cc4cccnc4)C4CC4)nc(C)n23)s1 ZINC000012115370 558327813 /nfs/dbraw/zinc/32/78/13/558327813.db2.gz DXICKZBFJZSDPK-UHFFFAOYSA-N 0 0 407.499 2.914 40 0 HFABRN Cc1ncc(-c2ccncc2)c([C@H]2CCCN(C(=O)Cn3nnc4ccccc43)C2)n1 ZINC000012117225 558329064 /nfs/dbraw/zinc/32/90/64/558329064.db2.gz ZTDCCMXTNDPIJC-SFHVURJKSA-N 0 0 413.485 2.998 40 0 HFABRN Cc1cccc(-n2c(=O)n(CC(=O)N3CCc4ccccc43)nc2-c2ccco2)n1 ZINC000012117417 558329068 /nfs/dbraw/zinc/32/90/68/558329068.db2.gz CDMMEAXVYBHYOW-UHFFFAOYSA-N 0 0 401.426 2.587 40 0 HFABRN O=C(CN1N=C(c2ccccc2)Cn2c(cc3ccccc32)C1=O)NC[C@@H]1CCCO1 ZINC000012117971 558329618 /nfs/dbraw/zinc/32/96/18/558329618.db2.gz MLYXYNNHGCNREJ-IBGZPJMESA-N 0 0 416.481 2.797 40 0 HFABRN Cc1cc(-c2cncnc2[C@@H]2CCCN(C(=O)Cn3nnc4ccccc43)C2)on1 ZINC000012118431 558329847 /nfs/dbraw/zinc/32/98/47/558329847.db2.gz VNQFKRWMFVSGJE-OAHLLOKOSA-N 0 0 403.446 2.591 40 0 HFABRN Cc1ncc2c(n1)[C@]1(C)CCCN(C(=O)Cc3ccc(S(C)(=O)=O)cc3)[C@@H]1CC2 ZINC000012120809 558330526 /nfs/dbraw/zinc/33/05/26/558330526.db2.gz SGYCORGMSPKHBK-DENIHFKCSA-N 0 0 413.543 2.626 40 0 HFABRN COc1cccc(N(CC(=O)NCc2ccc(OC(C)C)cc2)S(C)(=O)=O)c1 ZINC000020111133 558335892 /nfs/dbraw/zinc/33/58/92/558335892.db2.gz YSHDHWSZKWMOKL-UHFFFAOYSA-N 0 0 406.504 2.565 40 0 HFABRN CC(C)(C)C1=NN(CC(=O)NC[C@@H]2CCCO2)C(=O)c2cc3sccc3n2C1 ZINC000012145883 558337363 /nfs/dbraw/zinc/33/73/63/558337363.db2.gz VSNGQXXLDIAETP-ZDUSSCGKSA-N 0 0 402.520 2.856 40 0 HFABRN COc1ccc(C(=O)N2CCn3c(nnc3C3CC3)C2)cc1Cn1nc(C)cc1C ZINC000012158698 558341221 /nfs/dbraw/zinc/34/12/21/558341221.db2.gz PBKLNEKTKYXRFR-UHFFFAOYSA-N 0 0 406.490 2.682 40 0 HFABRN Cc1ccc(-c2cc(N)c(=O)n([C@H](C)C(=O)NCCc3ccccc3F)n2)s1 ZINC000012181652 558343030 /nfs/dbraw/zinc/34/30/30/558343030.db2.gz YDAOGUXPPSURKY-CYBMUJFWSA-N 0 0 400.479 2.921 40 0 HFABRN Cc1ccc(C)c(N(CC(=O)NCCSC(C)(C)C)S(=O)(=O)N(C)C)c1 ZINC000020244761 558350958 /nfs/dbraw/zinc/35/09/58/558350958.db2.gz IPUSCKBXSSHNPH-UHFFFAOYSA-N 0 0 401.598 2.564 40 0 HFABRN CC(=O)Nc1ccc(NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)N(C)C)cc1 ZINC000020244831 558351180 /nfs/dbraw/zinc/35/11/80/558351180.db2.gz WILXGOCBIAJENK-UHFFFAOYSA-N 0 0 418.519 2.513 40 0 HFABRN CC(C)c1cc(C(F)(F)F)n2nc([C@@H]3CCN(C(=O)[C@H]4CC(=O)N(C)C4)C3)cc2n1 ZINC000012220416 558355514 /nfs/dbraw/zinc/35/55/14/558355514.db2.gz OTJDCWOCHNULOA-OLZOCXBDSA-N 0 0 423.439 2.666 40 0 HFABRN Cc1cccnc1[C@@H](Cc1ccsc1)NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000012229664 558357749 /nfs/dbraw/zinc/35/77/49/558357749.db2.gz KXHBMCMKVIQTFF-QGZVFWFLSA-N 0 0 414.512 2.883 40 0 HFABRN COc1ccc([C@H](C)NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)cc1 ZINC000020461794 558373304 /nfs/dbraw/zinc/37/33/04/558373304.db2.gz NURROFVWHGCJAZ-INIZCTEOSA-N 0 0 418.515 2.516 40 0 HFABRN O=C(N[C@@H]1CCCc2ccccc21)c1ccc(CS(=O)(=O)N2CCOCC2)cc1 ZINC000020461522 558373360 /nfs/dbraw/zinc/37/33/60/558373360.db2.gz QUAJSDNXKZSVER-OAQYLSRUSA-N 0 0 414.527 2.656 40 0 HFABRN COCCC(=O)N[C@H]1CC[C@]2(C)CC[C@H]([C@H](C)C(=O)NC(C)(C)C)[C@H](O)[C@H]2[C@@H]1C ZINC000020467070 558373815 /nfs/dbraw/zinc/37/38/15/558373815.db2.gz QRFYOGPESLTHTF-DQVNZRKISA-N 0 0 410.599 2.882 40 0 biogenic,in-vitro HFABRN COc1cc(-c2cnc(NC[C@H]3COCCO3)nc2-c2cccs2)nc(OC)n1 ZINC000012327936 558383497 /nfs/dbraw/zinc/38/34/97/558383497.db2.gz IONZLQWLNIMGOZ-LBPRGKRZSA-N 0 0 415.475 2.507 40 0 HFABRN COc1cc2c(cc1CCNS(=O)(=O)c1ccc3c(c1)sc(=O)n3C)CCC2 ZINC000012363388 558387445 /nfs/dbraw/zinc/38/74/45/558387445.db2.gz ZKZKFSSPOSRICI-UHFFFAOYSA-N 0 0 418.540 2.618 40 0 HFABRN O=C1CCc2cc(S(=O)(=O)NC[C@@H](c3ccc(F)cc3)N3CCCC3)ccc2N1 ZINC000012362391 558387511 /nfs/dbraw/zinc/38/75/11/558387511.db2.gz HGUDBYGDSAOAAU-FQEVSTJZSA-N 0 0 417.506 2.826 40 0 HFABRN COc1cc(CN2C[C@H]3NC(=O)c4ccccc4C(=O)[C@@]3(C)C2)cc(OC)c1OC ZINC000012366439 558388156 /nfs/dbraw/zinc/38/81/56/558388156.db2.gz ZJRFINOLXNCIEI-XXBNENTESA-N 0 0 410.470 2.529 40 0 HFABRN O=C(COc1ccccc1F)N1CCC[C@@H](c2cc(C(F)F)n3ncnc3n2)C1 ZINC000012406970 558398285 /nfs/dbraw/zinc/39/82/85/558398285.db2.gz FJTCUGBZSSFKAE-GFCCVEGCSA-N 0 0 405.380 2.986 40 0 HFABRN COC(=O)CSc1nc2nc3c(cn2n1)C(=O)C[C@@H](c1cccc(Cl)c1)C3 ZINC000020796249 558414282 /nfs/dbraw/zinc/41/42/82/558414282.db2.gz QWBNSKQYUZWOIC-NSHDSACASA-N 0 0 402.863 2.956 40 0 HFABRN CCOC(=O)[C@H]1C([O-])=NC(N2CCc3ccccc3C2)=[NH+][C@H]1c1ccccc1OCC ZINC000020801749 558415613 /nfs/dbraw/zinc/41/56/13/558415613.db2.gz UTNCZXYGWCPGBY-RTWAWAEBSA-N 0 0 421.497 2.850 40 0 HFABRN CCOC(=O)[C@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@H]1c1cccc(O)c1 ZINC000020802229 558415861 /nfs/dbraw/zinc/41/58/61/558415861.db2.gz ASXYRXRUCGQDIV-MOPGFXCFSA-N 0 0 409.442 2.504 40 0 HFABRN CN(CCNC(=O)COc1ccc(I)cc1)c1ccccc1 ZINC000012611437 558438713 /nfs/dbraw/zinc/43/87/13/558438713.db2.gz IKTCCYLZPJTUCC-UHFFFAOYSA-N 0 0 410.255 2.923 40 0 HFABRN COc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)N(C)Cc2ccccc2)c1 ZINC000022230018 558468790 /nfs/dbraw/zinc/46/87/90/558468790.db2.gz LUAGRBRCVFWNQQ-IBGZPJMESA-N 0 0 402.516 2.815 40 0 HFABRN COc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2cccc(C(C)=O)c2)c1 ZINC000022229999 558468828 /nfs/dbraw/zinc/46/88/28/558468828.db2.gz YKKRKFSSVMWLKU-IBGZPJMESA-N 0 0 416.499 2.998 40 0 HFABRN CCn1cc(C(=O)N2CCN(Cc3ccccc3)CC2)c(=O)c2cc(OC)ccc21 ZINC000022235907 558470568 /nfs/dbraw/zinc/47/05/68/558470568.db2.gz ZVRQUQXTVNFDOJ-UHFFFAOYSA-N 0 0 405.498 2.988 40 0 HFABRN CCOc1ccc(CNC(=O)CN(c2cccc(C)c2)S(C)(=O)=O)cc1OCC ZINC000022327216 558478639 /nfs/dbraw/zinc/47/86/39/558478639.db2.gz LNMVXFZLMRADML-UHFFFAOYSA-N 0 0 420.531 2.875 40 0 HFABRN Cc1ccc(OC[C@H](C)NC(=O)CN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 ZINC000022329611 558479488 /nfs/dbraw/zinc/47/94/88/558479488.db2.gz ROBUQYUYXIELCZ-SFHVURJKSA-N 0 0 404.532 2.962 40 0 HFABRN COc1ccc(CCCNC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)cc1 ZINC000022330854 558479872 /nfs/dbraw/zinc/47/98/72/558479872.db2.gz QQTYLHLGZDIHRD-UHFFFAOYSA-N 0 0 410.923 2.864 40 0 HFABRN CCOc1ccccc1N(CC(=O)N[C@@H](C)COc1ccccc1C)S(C)(=O)=O ZINC000022332968 558480487 /nfs/dbraw/zinc/48/04/87/558480487.db2.gz KZOAZVKNOOKFCT-KRWDZBQOSA-N 0 0 420.531 2.743 40 0 HFABRN CCOc1ccccc1N(CC(=O)NCCCc1ccc(OC)cc1)S(C)(=O)=O ZINC000022332854 558480489 /nfs/dbraw/zinc/48/04/89/558480489.db2.gz UFZNBLLPWAYVME-UHFFFAOYSA-N 0 0 420.531 2.609 40 0 HFABRN COc1ccccc1N(CC(=O)N[C@H]1CC(C)(C)Oc2ccccc21)S(C)(=O)=O ZINC000022362607 558483233 /nfs/dbraw/zinc/48/32/33/558483233.db2.gz OJJXGTPJZUVAGB-INIZCTEOSA-N 0 0 418.515 2.880 40 0 HFABRN Cc1ccc([C@@H](C)NC(=O)CN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)c(C)c1 ZINC000022372904 558483798 /nfs/dbraw/zinc/48/37/98/558483798.db2.gz NXOLXJUSGYSUOX-MRXNPFEDSA-N 0 0 418.515 2.718 40 0 HFABRN CCCOc1ccc(N(CC(=O)Nc2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1 ZINC000022382726 558484818 /nfs/dbraw/zinc/48/48/18/558484818.db2.gz WVIUTHDRJHPQLW-UHFFFAOYSA-N 0 0 422.503 2.897 40 0 HFABRN CCCOc1ccc(N(CC(=O)Nc2ccc3c(c2)OCO3)S(C)(=O)=O)cc1 ZINC000022386755 558485446 /nfs/dbraw/zinc/48/54/46/558485446.db2.gz QLLXKFVMRPSWPT-UHFFFAOYSA-N 0 0 406.460 2.609 40 0 HFABRN CCOC(=O)c1cccc(NC(=O)CN(c2cccc(OCC)c2)S(C)(=O)=O)c1 ZINC000022395692 558486386 /nfs/dbraw/zinc/48/63/86/558486386.db2.gz BVJXIIIKWOIKHQ-UHFFFAOYSA-N 0 0 420.487 2.667 40 0 HFABRN Cc1cc(S(=O)(=O)NCc2ccccc2-n2ccnc2)ccc1N1CCCC1=O ZINC000022511989 558492939 /nfs/dbraw/zinc/49/29/39/558492939.db2.gz CIZLPLQTCBRKOA-UHFFFAOYSA-N 0 0 410.499 2.786 40 0 HFABRN CCc1ccccc1N(CC(=O)NCc1ccccc1-n1ccnc1)S(C)(=O)=O ZINC000022513609 558493334 /nfs/dbraw/zinc/49/33/34/558493334.db2.gz IDUNGHAFUWFNGZ-UHFFFAOYSA-N 0 0 412.515 2.517 40 0 HFABRN CS(=O)(=O)N1C[C@H](C(=O)NCCCc2ccccc2)Oc2ccc(Cl)cc21 ZINC000022515461 558493943 /nfs/dbraw/zinc/49/39/43/558493943.db2.gz BQAZCSJNFLGMFO-GOSISDBHSA-N 0 0 408.907 2.616 40 0 HFABRN CC[C@@H](NC(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O)c1ccccc1 ZINC000022521932 558494809 /nfs/dbraw/zinc/49/48/09/558494809.db2.gz HTKPXJNVTFNBJE-QGZVFWFLSA-N 0 0 406.504 2.737 40 0 HFABRN O=C(NCCCc1ccccc1)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000022522721 558494949 /nfs/dbraw/zinc/49/49/49/558494949.db2.gz MVGYQNXUUKQZJM-UHFFFAOYSA-N 0 0 400.544 2.977 40 0 HFABRN C[C@@H](NC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(F)cc1 ZINC000022536699 558498077 /nfs/dbraw/zinc/49/80/77/558498077.db2.gz FTWWQICASADLSB-OAHLLOKOSA-N 0 0 406.479 2.866 40 0 HFABRN COc1ccccc1N1CCN(c2nc(CSc3ccccn3)cc(=O)[nH]2)CC1 ZINC000013611403 558548529 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CNC(=O)[C@@]1(Cc2cccc(-c3cccnc3)c2)CN(Cc2ccccn2)CCO1 ZINC000019591918 558942692 /nfs/dbraw/zinc/94/26/92/558942692.db2.gz WTOJTIWMGURIKW-XMMPIXPASA-N 0 0 402.498 2.703 40 0 HFABRN COCCCN1C[C@@H](C(=O)Nc2nc(-c3ccc4c(c3)CCCO4)cs2)CC1=O ZINC000019593296 558944328 /nfs/dbraw/zinc/94/43/28/558944328.db2.gz LTUFBVBOPQKITD-INIZCTEOSA-N 0 0 415.515 2.959 40 0 HFABRN COCc1ccc(C(=O)N2CCC[C@H](C3=NS(=O)(=O)c4ccccc4N3)C2)cc1 ZINC000019594406 558945337 /nfs/dbraw/zinc/94/53/37/558945337.db2.gz CHPKXRNEZHHNOE-KRWDZBQOSA-N 0 0 413.499 2.898 40 0 HFABRN Cc1nc([C@H]2CCN(C(=O)C(C)(C)O)C2)ncc1C(=O)Nc1ccc(Cl)cc1 ZINC000072351969 558948128 /nfs/dbraw/zinc/94/81/28/558948128.db2.gz RMLVUIVRJBYNKP-ZDUSSCGKSA-N 0 0 402.882 2.778 40 0 HFABRN CCN(CC)S(=O)(=O)N1CCC[C@@H](c2ccc(Nc3nc(C)cc(C)n3)cn2)C1 ZINC000072353313 558950247 /nfs/dbraw/zinc/95/02/47/558950247.db2.gz HYLVPNBKXYKMRU-QGZVFWFLSA-N 0 0 418.567 2.998 40 0 HFABRN CC(C)N1C[C@@H](C(=O)Nc2ccc(-c3csc(N4CCOCC4)n3)cc2)CC1=O ZINC000019659552 558950913 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527487477 /nfs/dbraw/zinc/48/74/77/527487477.db2.gz RWATXNOEWAXEEX-INIZCTEOSA-N 0 0 402.455 2.619 40 0 HFABRN COCCCNc1ncc(-c2ccnc(N3CCOCC3)n2)c(-c2cccs2)n1 ZINC000012327131 536592540 /nfs/dbraw/zinc/59/25/40/536592540.db2.gz XEPFXFLXXCRKSX-UHFFFAOYSA-N 0 0 412.519 2.947 40 0 HFABRN C[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)N1CCc2ccccc2C1 ZINC000034761990 557017459 /nfs/dbraw/zinc/01/74/59/557017459.db2.gz SRWOLCMXTISMGD-CYBMUJFWSA-N 0 0 423.332 2.701 40 0 HFABRN CC(=O)Nc1ccc(C(=O)CSc2nnc(Cn3nnc4ccccc43)n2C)cc1 ZINC000000919879 557118929 /nfs/dbraw/zinc/11/89/29/557118929.db2.gz CJXDDKKFKRGXJM-UHFFFAOYSA-N 0 0 421.486 2.542 40 0 HFABRN CC[C@@H](C)c1ccc(NC(=O)Cn2nnc(-c3ccc(C)cc3-n3cnnn3)n2)cc1 ZINC000001361502 557257172 /nfs/dbraw/zinc/25/71/72/557257172.db2.gz OUAGAKDJUHEQPF-OAHLLOKOSA-N 0 0 417.477 2.776 40 0 HFABRN COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C ZINC000001697992 557281426 /nfs/dbraw/zinc/28/14/26/557281426.db2.gz AIHJFGQZJBMYEB-QZTJIDSGSA-N 0 0 417.506 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/nfs/dbraw/zinc/33/73/84/558337384.db2.gz AJNHPVXTMYAVKB-UHFFFAOYSA-N 0 0 412.519 2.574 40 0 HFABRN NC(=O)c1nc(-c2ccnc3ccccc32)nc2c1[nH]c(=O)n2CCc1ccccc1 ZINC000012145957 558337400 /nfs/dbraw/zinc/33/74/00/558337400.db2.gz ZRSWHGHVYSWSBZ-UHFFFAOYSA-N 0 0 410.437 2.676 40 0 HFABRN C[C@H](C(=O)N(C)c1nc2c(s1)CCc1c-2cnn1C)n1ncc2ccccc2c1=O ZINC000012146150 558337502 /nfs/dbraw/zinc/33/75/02/558337502.db2.gz XGBOFEHGMFVQIE-GFCCVEGCSA-N 0 0 420.498 2.576 40 0 HFABRN CCn1c2cc(C)sc2c2cnn(CC(=O)NCc3ccc4c(c3)OCO4)c(=O)c21 ZINC000012156870 558340532 /nfs/dbraw/zinc/34/05/32/558340532.db2.gz PBWLGASUXKYGOW-UHFFFAOYSA-N 0 0 424.482 2.786 40 0 HFABRN CC(C)N(C(=O)Cn1nc2c3c4c(sc3ncn2c1=O)C[C@@H](C)CC4)C(C)C ZINC000012184198 558344261 /nfs/dbraw/zinc/34/42/61/558344261.db2.gz SSFAOOVCXVIVIU-ZDUSSCGKSA-N 0 0 401.536 2.876 40 0 HFABRN O=C1CCC(=O)N1c1ccc(S(=O)(=O)Nc2ccccc2Br)cc1 ZINC000012200214 558351109 /nfs/dbraw/zinc/35/11/09/558351109.db2.gz LPEQTSQIYDYLBD-UHFFFAOYSA-N 0 0 409.261 2.903 40 0 HFABRN CC(C)Oc1ccc(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)N(C)C)cc1 ZINC000020245361 558351375 /nfs/dbraw/zinc/35/13/75/558351375.db2.gz TZXMMXPQHFVHID-UHFFFAOYSA-N 0 0 409.483 2.864 40 0 HFABRN Cc1cccnc1[C@@H](Cc1ccsc1)NC(=O)CCN1C(=O)NC(C)(C)C1=O ZINC000012229583 558357558 /nfs/dbraw/zinc/35/75/58/558357558.db2.gz ZZVIBFMQRHGKNM-OAHLLOKOSA-N 0 0 400.504 2.572 40 0 HFABRN O=C1CCc2cc(S(=O)(=O)NCC3(c4ccccc4)CCOCC3)ccc2N1 ZINC000012239655 558360105 /nfs/dbraw/zinc/36/01/05/558360105.db2.gz QSELBJCUVHGYGK-UHFFFAOYSA-N 0 0 400.500 2.598 40 0 HFABRN O=C(c1cncc(Br)c1)N1CCC(O)(Cn2ccc3ccncc32)CC1 ZINC000012259080 558363189 /nfs/dbraw/zinc/36/31/89/558363189.db2.gz DMDGKNSZWJGEAG-UHFFFAOYSA-N 0 0 415.291 2.861 40 0 HFABRN Cc1ccc(CN(C)C(=O)[C@@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1 ZINC000020484168 558376023 /nfs/dbraw/zinc/37/60/23/558376023.db2.gz IGGPGERFMLYYCO-MRXNPFEDSA-N 0 0 418.515 2.579 40 0 HFABRN Cc1ccc(CN(C)C(=O)[C@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1 ZINC000020484171 558376063 /nfs/dbraw/zinc/37/60/63/558376063.db2.gz IGGPGERFMLYYCO-INIZCTEOSA-N 0 0 418.515 2.579 40 0 HFABRN CS(=O)(=O)N(CC(=O)NCc1ccc(-n2ccnc2)cc1)c1ccc(Cl)cc1 ZINC000020488141 558376992 /nfs/dbraw/zinc/37/69/92/558376992.db2.gz WTVKETXPESLHFD-UHFFFAOYSA-N 0 0 418.906 2.608 40 0 HFABRN CS(=O)(=O)N(CC(=O)NCc1ccc(F)cc1)c1cccc(Br)c1 ZINC000020494346 558379739 /nfs/dbraw/zinc/37/97/39/558379739.db2.gz ROWBVPXMRZNLLB-UHFFFAOYSA-N 0 0 415.284 2.671 40 0 HFABRN CCOc1ccc(N([C@H](C)C(=O)NCc2ccccc2OCC)S(C)(=O)=O)cc1 ZINC000020495051 558380264 /nfs/dbraw/zinc/38/02/64/558380264.db2.gz XQBBYOAIXZHFJU-MRXNPFEDSA-N 0 0 420.531 2.955 40 0 HFABRN CC(=O)N1Cc2cc(C)ccc2OC2(CCN(CC(=O)N3CCCCCC3)CC2)C1 ZINC000012365563 558387943 /nfs/dbraw/zinc/38/79/43/558387943.db2.gz BRDUABZCXXPFCH-UHFFFAOYSA-N 0 0 413.562 2.973 40 0 HFABRN Cc1occc1-c1nnc(SCc2cc(=O)n3nc(N)[nH]c3n2)n1-c1ccccc1 ZINC000012372533 558390081 /nfs/dbraw/zinc/39/00/81/558390081.db2.gz UHBDZAWUXFHOOA-UHFFFAOYSA-N 0 0 420.458 2.854 40 0 HFABRN CCOc1ccccc1NC(=O)[C@H]1CC(=O)Nc2nc(N3CCCCC3)nc(N)c21 ZINC000020635684 558395665 /nfs/dbraw/zinc/39/56/65/558395665.db2.gz TUZPHKLUPSRXCB-ZDUSSCGKSA-N 0 0 410.478 2.512 40 0 HFABRN CCOC(=O)CCc1c(C)nc(Nc2nc(C)c3cccc(OCC)c3n2)[nH]c1=O ZINC000020673245 558398826 /nfs/dbraw/zinc/39/88/26/558398826.db2.gz QCGNOVLSSLHDOF-UHFFFAOYSA-N 0 0 411.462 2.968 40 0 HFABRN COc1cccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc(OC)ccc2C)c1 ZINC000022229899 558468841 /nfs/dbraw/zinc/46/88/41/558468841.db2.gz GSAFRGNECYVVIE-SFHVURJKSA-N 0 0 404.488 2.804 40 0 HFABRN CCN(CC)S(=O)(=O)c1cc(Cl)ccc1OCC(=O)NCc1ccco1 ZINC000022248522 558472690 /nfs/dbraw/zinc/47/26/90/558472690.db2.gz VBQIUSVFWLIKQL-UHFFFAOYSA-N 0 0 400.884 2.659 40 0 HFABRN CCS(=O)(=O)N(C)c1cc(OC)c(OC)cc1C(=O)Nc1cccc(OC)c1 ZINC000022252768 558473806 /nfs/dbraw/zinc/47/38/06/558473806.db2.gz ZUCGTYVOIYTJGO-UHFFFAOYSA-N 0 0 408.476 2.751 40 0 HFABRN COc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](C)c2ccc(F)cc2)cc1Cl ZINC000022271804 558475322 /nfs/dbraw/zinc/47/53/22/558475322.db2.gz XOWUENRYMMEMHF-GFCCVEGCSA-N 0 0 414.886 2.986 40 0 HFABRN COc1cc(CNC(=O)CN(c2ccccc2C)S(C)(=O)=O)ccc1OC(C)C ZINC000022326775 558478370 /nfs/dbraw/zinc/47/83/70/558478370.db2.gz YUEOJSYDMUUSCL-UHFFFAOYSA-N 0 0 420.531 2.873 40 0 HFABRN Cc1ccc(OC[C@H](C)NC(=O)CN(c2ccc(C)cc2C)S(C)(=O)=O)cc1 ZINC000022328389 558479097 /nfs/dbraw/zinc/47/90/97/558479097.db2.gz DZYRKZYAZPZRKE-SFHVURJKSA-N 0 0 404.532 2.962 40 0 HFABRN CCc1ccccc1N(CC(=O)NCCCc1ccccc1OC)S(C)(=O)=O ZINC000022329812 558479408 /nfs/dbraw/zinc/47/94/08/558479408.db2.gz KPILLFYCICZZNH-UHFFFAOYSA-N 0 0 404.532 2.773 40 0 HFABRN CCc1ccccc1N(CC(=O)NCCCc1ccc(OC)cc1)S(C)(=O)=O ZINC000022329819 558479470 /nfs/dbraw/zinc/47/94/70/558479470.db2.gz SBCSOFQGIZCKHC-UHFFFAOYSA-N 0 0 404.532 2.773 40 0 HFABRN COc1ccc(N(CC(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)S(C)(=O)=O)cc1 ZINC000022332539 558480319 /nfs/dbraw/zinc/48/03/19/558480319.db2.gz IJVYXWCGJBICIH-GOSISDBHSA-N 0 0 418.515 2.880 40 0 HFABRN COc1ccc(N(CC(=O)N[C@@H](C)c2ccc(C)cc2C)S(C)(=O)=O)cc1OC ZINC000022334400 558480862 /nfs/dbraw/zinc/48/08/62/558480862.db2.gz ONFKUXAGBPKCOP-INIZCTEOSA-N 0 0 420.531 2.964 40 0 HFABRN COc1ccc(N(CC(=O)N[C@@H](C)c2ccc(C)c(C)c2)S(C)(=O)=O)cc1OC ZINC000022334406 558480917 /nfs/dbraw/zinc/48/09/17/558480917.db2.gz LDENFVASLIHVML-INIZCTEOSA-N 0 0 420.531 2.964 40 0 HFABRN COc1ccc(C)cc1N(CC(=O)N[C@@H](C)COc1ccc(C)cc1)S(C)(=O)=O ZINC000022336348 558481351 /nfs/dbraw/zinc/48/13/51/558481351.db2.gz NSBBNNIDRWPAGM-KRWDZBQOSA-N 0 0 420.531 2.662 40 0 HFABRN COc1ccccc1N(CC(=O)NCCCc1ccccc1Cl)S(C)(=O)=O ZINC000022362575 558483283 /nfs/dbraw/zinc/48/32/83/558483283.db2.gz GURDXBBYIAGBEU-UHFFFAOYSA-N 0 0 410.923 2.864 40 0 HFABRN CCOc1ccc(CNC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)cc1OCC ZINC000022363186 558483295 /nfs/dbraw/zinc/48/32/95/558483295.db2.gz ADNHTVKWXCEDJL-UHFFFAOYSA-N 0 0 424.494 2.706 40 0 HFABRN COc1ccccc1N(CC(=O)NCCCc1ccc(Cl)cc1)S(C)(=O)=O ZINC000022362577 558483317 /nfs/dbraw/zinc/48/33/17/558483317.db2.gz NJJCDCRGAZCPQS-UHFFFAOYSA-N 0 0 410.923 2.864 40 0 HFABRN Cc1ccc([C@@H](C)NC(=O)CN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1C ZINC000022372913 558483794 /nfs/dbraw/zinc/48/37/94/558483794.db2.gz VWVLGVHXEUNVPK-MRXNPFEDSA-N 0 0 418.515 2.718 40 0 HFABRN Cc1ccc([C@H](C)NC(=O)CN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1C ZINC000022372918 558483840 /nfs/dbraw/zinc/48/38/40/558483840.db2.gz VWVLGVHXEUNVPK-INIZCTEOSA-N 0 0 418.515 2.718 40 0 HFABRN Cc1ccc(OC[C@@H](C)NC(=O)CN(c2ccc(F)c(F)c2)S(C)(=O)=O)cc1 ZINC000022373279 558484044 /nfs/dbraw/zinc/48/40/44/558484044.db2.gz IALUADKGSPUESF-CQSZACIVSA-N 0 0 412.458 2.623 40 0 HFABRN COc1ccc(OC)c(NC(=O)CN(c2ccc(OC(C)C)cc2)S(C)(=O)=O)c1 ZINC000022382307 558484895 /nfs/dbraw/zinc/48/48/95/558484895.db2.gz PSZIYRBHNDTHKM-UHFFFAOYSA-N 0 0 422.503 2.896 40 0 HFABRN CCOc1cccc(N(CC(=O)Nc2cc(C(=O)OC)ccc2C)S(C)(=O)=O)c1 ZINC000022388823 558485742 /nfs/dbraw/zinc/48/57/42/558485742.db2.gz GIWYGUJPVRCCSC-UHFFFAOYSA-N 0 0 420.487 2.585 40 0 HFABRN CCCOc1ccc(N(CC(=O)Nc2cccc(C(=O)OC)c2)S(C)(=O)=O)cc1 ZINC000022395646 558486379 /nfs/dbraw/zinc/48/63/79/558486379.db2.gz CSKXKRYPNFYXNL-UHFFFAOYSA-N 0 0 420.487 2.667 40 0 HFABRN COC(=O)c1cccc(NC(=O)CN(c2ccc(OC(C)C)cc2)S(C)(=O)=O)c1 ZINC000022395626 558486399 /nfs/dbraw/zinc/48/63/99/558486399.db2.gz JIJVSAFCVWQFTM-UHFFFAOYSA-N 0 0 420.487 2.665 40 0 HFABRN CCCOc1ccc(N(CC(=O)N(C)Cc2ccc(OC)cc2)S(C)(=O)=O)cc1 ZINC000022400506 558487329 /nfs/dbraw/zinc/48/73/29/558487329.db2.gz ILLBUDRJDSYCCF-UHFFFAOYSA-N 0 0 420.531 2.909 40 0 HFABRN CCCOc1ccc(N(CC(=O)NCCOc2ccc(C)cc2)S(C)(=O)=O)cc1 ZINC000022401377 558487496 /nfs/dbraw/zinc/48/74/96/558487496.db2.gz XCDRVMDBNCFHQN-UHFFFAOYSA-N 0 0 420.531 2.745 40 0 HFABRN Cc1ccc(OCCNC(=O)CN(c2c(C)cc(C)cc2C)S(C)(=O)=O)cc1 ZINC000022401374 558487500 /nfs/dbraw/zinc/48/75/00/558487500.db2.gz CTIGLPGNACEEBZ-UHFFFAOYSA-N 0 0 404.532 2.881 40 0 HFABRN COC(=O)c1ccc(CS(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)cc1 ZINC000022520835 558494764 /nfs/dbraw/zinc/49/47/64/558494764.db2.gz MTSCVNXWONCSIE-UHFFFAOYSA-N 0 0 402.516 2.742 40 0 HFABRN COc1ccccc1CN(C)S(=O)(=O)c1ccc(OC)c(C(=O)N2CCCC2)c1 ZINC000022521737 558494777 /nfs/dbraw/zinc/49/47/77/558494777.db2.gz VLMNCVFNFLZUSK-UHFFFAOYSA-N 0 0 418.515 2.761 40 0 HFABRN Cc1cc(N(CC(=O)N(C)C2CCCC2)S(C)(=O)=O)ccc1Br ZINC000022529489 558496618 /nfs/dbraw/zinc/49/66/18/558496618.db2.gz SSCIDASXVBHMRL-UHFFFAOYSA-N 0 0 403.342 2.925 40 0 HFABRN CCN(CC(=O)N[C@@H](C)c1ccc(F)cc1)S(=O)(=O)c1cc(F)ccc1OC ZINC000022539268 558498773 /nfs/dbraw/zinc/49/87/73/558498773.db2.gz FFOBXRHWOYDXNH-ZDUSSCGKSA-N 0 0 412.458 2.861 40 0 HFABRN COc1ccc(C)cc1N1C(=O)C[C@H](N2CCc3cc(OC)c(OC)cc3C2)C1=O ZINC000022609350 558501177 /nfs/dbraw/zinc/50/11/77/558501177.db2.gz QINOBCDZYMWOAL-SFHVURJKSA-N 0 0 410.470 2.711 40 0 HFABRN Cc1c(Cl)cccc1NC(=O)[C@H]1CC(=O)Nc2nc(N3CCCCC3)[nH]c(=O)c21 ZINC000022610021 558501437 /nfs/dbraw/zinc/50/14/37/558501437.db2.gz SIKJRSWAPADKIS-LBPRGKRZSA-N 0 0 415.881 2.787 40 0 HFABRN CCn1c(=O)n(CC(=O)c2ccc(Cl)cc2)c(=O)c2c3c(cnc21)C(=O)CCC3 ZINC000022610552 558501973 /nfs/dbraw/zinc/50/19/73/558501973.db2.gz PLLJEKFZQDDHFB-UHFFFAOYSA-N 0 0 411.845 2.633 40 0 HFABRN COc1ccc(F)cc1S(=O)(=O)N1CCC[C@H](C(=O)NCCc2ccccc2)C1 ZINC000013580563 558544192 /nfs/dbraw/zinc/54/41/92/558544192.db2.gz GHLNZGQCKYPSSH-KRWDZBQOSA-N 0 0 420.506 2.594 40 0 HFABRN CCOc1ccc(CNC(=O)CN(c2ccccc2OCC)S(C)(=O)=O)cc1 ZINC000013632070 558552523 /nfs/dbraw/zinc/55/25/23/558552523.db2.gz QIKXKMCITSKVMX-UHFFFAOYSA-N 0 0 406.504 2.566 40 0 HFABRN COC(=O)c1cccc(NC(=O)CN(c2cc(Cl)ccc2C)S(C)(=O)=O)c1 ZINC000013648824 558557734 /nfs/dbraw/zinc/55/77/34/558557734.db2.gz OWCNTTKQEJTZTO-UHFFFAOYSA-N 0 0 410.879 2.840 40 0 HFABRN CCOc1ccc(N([C@@H](C)C(=O)Nc2cccc(C(=O)OC)c2)S(C)(=O)=O)cc1 ZINC000013649838 558558095 /nfs/dbraw/zinc/55/80/95/558558095.db2.gz FKWQSYKMXYURTL-AWEZNQCLSA-N 0 0 420.487 2.665 40 0 HFABRN CCOc1ccc(CNC(=O)[C@H](C)N(c2ccc(OCC)cc2)S(C)(=O)=O)cc1 ZINC000013668657 558560553 /nfs/dbraw/zinc/56/05/53/558560553.db2.gz FUFJCBFZTLERKN-INIZCTEOSA-N 0 0 420.531 2.955 40 0 HFABRN CCOC(=O)c1cccc(NC(=O)CN(c2ccccc2F)S(C)(=O)=O)c1C ZINC000013676047 558564485 /nfs/dbraw/zinc/56/44/85/558564485.db2.gz GJGRXCSGTFCOMG-UHFFFAOYSA-N 0 0 408.451 2.716 40 0 HFABRN CC[C@H](C(=O)N1CCN(c2ccccc2F)CC1)N(c1ccccc1)S(C)(=O)=O ZINC000013711336 558576043 /nfs/dbraw/zinc/57/60/43/558576043.db2.gz LQONGUAFRIUOFQ-LJQANCHMSA-N 0 0 419.522 2.719 40 0 HFABRN Cc1cc(C)c(NC(=O)c2cccc(S(=O)(=O)N3CCN(C)CC3)c2)c(C)c1 ZINC000014426562 558654733 /nfs/dbraw/zinc/65/47/33/558654733.db2.gz ZBCNXVZJZLZXMA-UHFFFAOYSA-N 0 0 401.532 2.800 40 0 HFABRN COc1cccc(OCCNS(=O)(=O)c2ccc(OC)c(Br)c2)c1 ZINC000026836619 558665582 /nfs/dbraw/zinc/66/55/82/558665582.db2.gz XFEJTHGVKHXPRE-UHFFFAOYSA-N 0 0 416.293 2.824 40 0 HFABRN COc1ccc(S[C@H](C)C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 ZINC000015028494 558703693 /nfs/dbraw/zinc/70/36/93/558703693.db2.gz QRSAAUXUSAVEOE-MRXNPFEDSA-N 0 0 420.556 2.709 40 0 HFABRN CCCCOC(=O)c1ccc(NC(=O)c2ccc(OC)c(S(N)(=O)=O)c2)cc1 ZINC000029652566 558718389 /nfs/dbraw/zinc/71/83/89/558718389.db2.gz XLKBMCZFKNDEQD-UHFFFAOYSA-N 0 0 406.460 2.552 40 0 HFABRN CS(=O)(=O)N1C[C@H](C(=O)Nc2c(F)cccc2F)Oc2ccc(Cl)cc21 ZINC000030751265 558736101 /nfs/dbraw/zinc/73/61/01/558736101.db2.gz YSOIBICWWVWZMX-CQSZACIVSA-N 0 0 402.806 2.784 40 0 HFABRN O=C(NCc1ccccc1)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 ZINC000030754888 558736845 /nfs/dbraw/zinc/73/68/45/558736845.db2.gz NWOZRYIXROFJNV-NRFANRHFSA-N 0 0 400.544 2.977 40 0 HFABRN O=C(Nc1ccc2c(c1)OCO2)c1ccc(CS(=O)(=O)N2CCCCC2)cc1 ZINC000030851326 558739959 /nfs/dbraw/zinc/73/99/59/558739959.db2.gz WBNBSCSSJVTADA-UHFFFAOYSA-N 0 0 402.472 2.983 40 0 HFABRN O=C(NC1CCCC1)[C@@H]1[C@@H]2C=C[C@@]3(CN(CCc4c[nH]c5ccccc45)C(=O)[C@@H]13)O2 ZINC000015894196 558760891 /nfs/dbraw/zinc/76/08/91/558760891.db2.gz BKUUIFFOXCFCCJ-BLRYILKCSA-N 0 0 405.498 2.551 40 0 biogenic HFABRN CCS(=O)(=O)Nc1cccc(C(=O)Nc2ccc(CC(=O)N3CCCC3)cc2)c1 ZINC000033103929 558761089 /nfs/dbraw/zinc/76/10/89/558761089.db2.gz TZEUVRIBQAYLML-UHFFFAOYSA-N 0 0 415.515 2.865 40 0 HFABRN COc1ccc(CCNC(=O)CN(C)S(=O)(=O)c2c(C)cc(C)cc2C)cc1 ZINC000016267461 558782327 /nfs/dbraw/zinc/78/23/27/558782327.db2.gz SAOIHMJYVJSYAX-UHFFFAOYSA-N 0 0 404.532 2.600 40 0 HFABRN COc1ccc(C)cc1NC(=O)CN(C)S(=O)(=O)c1cc(Cl)ccc1OC ZINC000016290979 558783986 /nfs/dbraw/zinc/78/39/86/558783986.db2.gz RALPTOCVHMQZSO-UHFFFAOYSA-N 0 0 412.895 2.925 40 0 HFABRN CC(=O)NC(=S)Nc1ccc(NC(=S)NC(=O)C(Cl)(Cl)Cl)cc1 ZINC000016320854 558785979 /nfs/dbraw/zinc/78/59/79/558785979.db2.gz DPSBBILSFVIPEV-UHFFFAOYSA-N 0 0 413.739 2.703 40 0 HFABRN CCN(CC)c1ccc(C(C2C(=O)N=C(C)NC2=O)C2C(=O)N=C(C)NC2=O)cc1 ZINC000016678517 558799229 /nfs/dbraw/zinc/79/92/29/558799229.db2.gz OXVUCHUIJFAVND-UHFFFAOYSA-N 0 0 411.462 2.732 40 0 HFABRN COc1ccc(C)cc1C[N@@H+]1C[C@@H](C(=O)N(C)C)[C@@]2(C1)CCc1ccccc1C(=O)N2 ZINC000036748710 558802522 /nfs/dbraw/zinc/80/25/22/558802522.db2.gz RNBMAWZXLBZPRO-OFVILXPXSA-N 0 0 421.541 2.639 40 0 HFABRN C[C@H]1CCC[C@H](C)N1c1nc2c(c(=O)[nH]1)[C@@H](C(=O)Nc1ccc(F)cc1)CC(=O)N2 ZINC000038828399 558816006 /nfs/dbraw/zinc/81/60/06/558816006.db2.gz JTBRACIVZACWGG-HUBLWGQQSA-N 0 0 413.453 2.741 40 0 HFABRN COCc1nn2c(ncc(C(=O)N3CCN(C)CC3)c2C)c1-c1cccc(Cl)c1 ZINC000038829831 558816372 /nfs/dbraw/zinc/81/63/72/558816372.db2.gz AWXJMIOHROSTQV-UHFFFAOYSA-N 0 0 413.909 2.892 40 0 HFABRN Cc1ccc(SCCNC(=O)[C@@H]2CCN(S(C)(=O)=O)c3ccccc3O2)cc1 ZINC000038836772 558818077 /nfs/dbraw/zinc/81/80/77/558818077.db2.gz KUTPSWRWIYJARM-IBGZPJMESA-N 0 0 420.556 2.821 40 0 HFABRN Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)NCCSC1CCCCC1)O2 ZINC000038852894 558819074 /nfs/dbraw/zinc/81/90/74/558819074.db2.gz GXOYFIGMTJLPCW-GOSISDBHSA-N 0 0 412.577 2.704 40 0 HFABRN CCN(CC(=O)Nc1c(F)cccc1F)S(=O)(=O)c1cc(F)ccc1OC ZINC000039986326 558823991 /nfs/dbraw/zinc/82/39/91/558823991.db2.gz BSDHDVXJZHABFZ-UHFFFAOYSA-N 0 0 402.394 2.762 40 0 HFABRN O=C(NCc1ccccn1)NC[C@@H]1CCC[C@H](CNC(=O)NCc2ccccn2)C1 ZINC000018010568 558829474 /nfs/dbraw/zinc/82/94/74/558829474.db2.gz ZJOPJYNGQRJCCL-HDICACEKSA-N 0 0 410.522 2.582 40 0 HFABRN CS(=O)(=O)N(CC(=O)Nc1ccc(N2CCOCC2)cc1)c1cccc(Cl)c1 ZINC000018114800 558831370 /nfs/dbraw/zinc/83/13/70/558831370.db2.gz QYMHIYNKJNJTFP-UHFFFAOYSA-N 0 0 423.922 2.581 40 0 HFABRN Nc1nc2nc[nH]c2c(SCc2nc3ccccc3c(=O)n2-c2ccccc2)n1 ZINC000018173343 558832560 /nfs/dbraw/zinc/83/25/60/558832560.db2.gz AGMIICFBNJAAME-UHFFFAOYSA-N 0 0 401.455 2.927 40 0 HFABRN CC(=O)N1CCc2c(nc([C@H]3CCCN(C(=O)C4CC4)C3)nc2-c2ccncc2)C1 ZINC000019019152 558837426 /nfs/dbraw/zinc/83/74/26/558837426.db2.gz OYIBPCLDVAWYPK-SFHVURJKSA-N 0 0 405.502 2.559 40 0 HFABRN Cc1cc(-c2cnc(C)nc2[C@@H]2CCCN2S(=O)(=O)c2c(C)noc2C)on1 ZINC000019122532 558843712 /nfs/dbraw/zinc/84/37/12/558843712.db2.gz XOCDYXBJXSPYDH-HNNXBMFYSA-N 0 0 403.464 2.879 40 0 HFABRN Cc1cc(-c2cnc(NCCCNC(=O)c3ccccn3)nc2[C@H]2CCCO2)on1 ZINC000019122671 558843872 /nfs/dbraw/zinc/84/38/72/558843872.db2.gz WIEHFESUCRXEAH-QGZVFWFLSA-N 0 0 408.462 2.919 40 0 HFABRN Cc1ccc(-n2ncc(C(=O)[C@@H]3CCN(C(=O)CCc4cccnc4)C3)c2N)cc1 ZINC000019213207 558849011 /nfs/dbraw/zinc/84/90/11/558849011.db2.gz JGGGCYTUWUBDKW-GOSISDBHSA-N 0 0 403.486 2.822 40 0 HFABRN Cc1ccc(S(=O)(=O)N2CC[C@H](c3nc(-c4cccnc4)cc(=O)[nH]3)C2)cc1C ZINC000019214297 558849614 /nfs/dbraw/zinc/84/96/14/558849614.db2.gz HUHQIXUABYUJPG-KRWDZBQOSA-N 0 0 410.499 2.627 40 0 HFABRN COc1ccc(S(=O)(=O)N2CC[C@@H](c3nnc(-c4ccc(C)nc4)o3)C2)cc1 ZINC000019215194 558849934 /nfs/dbraw/zinc/84/99/34/558849934.db2.gz QSAVFIDWCFDFDT-OAHLLOKOSA-N 0 0 400.460 2.627 40 0 HFABRN COc1cc([C@H]2NC(=O)N[C@](O)(C(F)(F)F)C2=C(O)c2ccc(C)cc2)ccc1O ZINC000036056507 558853636 /nfs/dbraw/zinc/85/36/36/558853636.db2.gz HAOXMWGSLQOXDJ-GPMSIDNRSA-N 0 0 424.375 2.813 40 0 HFABRN COc1c(C)cccc1C(=O)N1CCC(c2cc3nc(N(C)C)ncc3c(=O)[nH]2)CC1 ZINC000019235821 558855034 /nfs/dbraw/zinc/85/50/34/558855034.db2.gz MSVRHPBENHKUOV-UHFFFAOYSA-N 0 0 421.501 2.721 40 0 HFABRN Cc1cccc([C@@H]2CN(S(=O)(=O)C3CCCCC3)C[C@]23CCCCC(=O)N3)n1 ZINC000019236395 558855591 /nfs/dbraw/zinc/85/55/91/558855591.db2.gz IMMJYCLEVTTZGP-GHTZIAJQSA-N 0 0 405.564 2.881 40 0 HFABRN Cc1nc2ccccc2n1C[C@@H](C)C(=O)Nc1ccc2c(c1)CCN2S(C)(=O)=O ZINC000019286748 558860598 /nfs/dbraw/zinc/86/05/98/558860598.db2.gz YUUGFOSNNWRBGN-CQSZACIVSA-N 0 0 412.515 2.942 40 0 HFABRN Cc1ncc(C(=O)N(C)C)c(-c2ccc(CNC(=O)c3cc(C(C)C)nn3C)cc2)n1 ZINC000019287089 558860806 /nfs/dbraw/zinc/86/08/06/558860806.db2.gz WPFMSHMWDMPATN-UHFFFAOYSA-N 0 0 420.517 2.941 40 0 HFABRN Cc1nccn1CC1(O)CCN(C(=O)CCCOc2cccc3cccnc32)CC1 ZINC000019287846 558861227 /nfs/dbraw/zinc/86/12/27/558861227.db2.gz UJBWJLXUDLGGKM-UHFFFAOYSA-N 0 0 408.502 2.952 40 0 HFABRN Cc1nnnn1-c1ccc(CC(=O)N2CCC[C@H](COc3ccc(F)cc3)C2)cc1 ZINC000019288414 558861353 /nfs/dbraw/zinc/86/13/53/558861353.db2.gz WAWZMUUCEPJIQN-SFHVURJKSA-N 0 0 409.465 2.970 40 0 HFABRN COc1ccc(-c2ccccc2C[C@H]2CN(C(=O)c3nccn3C)CCNC2=O)cc1 ZINC000019291168 558863352 /nfs/dbraw/zinc/86/33/52/558863352.db2.gz OLBFUTHJHNUAHT-IBGZPJMESA-N 0 0 418.497 2.527 40 0 HFABRN COc1ccccc1-c1ccccc1C[C@@H]1CN(C(=O)c2ccn(C)n2)CCNC1=O ZINC000019290958 558863371 /nfs/dbraw/zinc/86/33/71/558863371.db2.gz CGWROWAORHHDKP-GOSISDBHSA-N 0 0 418.497 2.527 40 0 HFABRN COc1ccccc1-c1ccccc1C[C@H]1CN(C(=O)c2ccn(C)n2)CCNC1=O ZINC000019290959 558863435 /nfs/dbraw/zinc/86/34/35/558863435.db2.gz CGWROWAORHHDKP-SFHVURJKSA-N 0 0 418.497 2.527 40 0 HFABRN COc1ccc(-c2nnc3n2[C@@H]2CCCC[C@@H]2N(C(=O)c2ccn(C)n2)C3)cc1OC ZINC000019290989 558863485 /nfs/dbraw/zinc/86/34/85/558863485.db2.gz HDXHMEDTLZBYCE-DLBZAZTESA-N 0 0 422.489 2.836 40 0 HFABRN CC1=C(C(=O)N2CCN(C)CC2)[C@@H](c2ccc(Cl)c(Cl)c2)n2ncnc2N1 ZINC000054672251 558868620 /nfs/dbraw/zinc/86/86/20/558868620.db2.gz FBMCKQVWJLWBBC-MRXNPFEDSA-N 0 0 407.305 2.648 40 0 HFABRN COc1ccccc1[C@@H]([C@H](C(=O)c1ccccc1)N1CCOCC1)N1CCOCC1 ZINC000019365976 558876741 /nfs/dbraw/zinc/87/67/41/558876741.db2.gz CYGSMUPSBWPCNB-XZOQPEGZSA-N 0 0 410.514 2.652 40 0 HFABRN COc1ccccc1[C@@H]([C@@H](C(=O)c1ccccc1)N1CCOCC1)N1CCOCC1 ZINC000019365973 558876874 /nfs/dbraw/zinc/87/68/74/558876874.db2.gz CYGSMUPSBWPCNB-GOTSBHOMSA-N 0 0 410.514 2.652 40 0 HFABRN O=C(c1ccco1)N1CCN([C@@H](c2nnnn2C2CCCC2)c2ccccc2)CC1 ZINC000019369576 558878122 /nfs/dbraw/zinc/87/81/22/558878122.db2.gz GMXNWXKMEBBOCX-HXUWFJFHSA-N 0 0 406.490 2.929 40 0 HFABRN O=C(Cc1ccccn1)N1CCc2c(nc(N3CCCC3)nc2Oc2cccnc2)C1 ZINC000019401247 558883594 /nfs/dbraw/zinc/88/35/94/558883594.db2.gz XVCULAURPUPRHB-UHFFFAOYSA-N 0 0 416.485 2.787 40 0 HFABRN Cc1ccccc1OCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000055954913 558884708 /nfs/dbraw/zinc/88/47/08/558884708.db2.gz QHOVNOWDBDIJDI-MRXNPFEDSA-N 0 0 408.545 2.652 40 0 HFABRN O=C(Cn1cccn1)N1[C@@H]2CC[C@H]1Cc1nc(-c3ccncc3)nc(NC3CC3)c12 ZINC000019406024 558884948 /nfs/dbraw/zinc/88/49/48/558884948.db2.gz ITNQIWABUZVZIQ-FUHWJXTLSA-N 0 0 401.474 2.598 40 0 HFABRN CC(=O)N1CCC(C(=O)N[C@@H](c2cc(N(C)C)nc(-c3ccncc3)n2)C(C)C)CC1 ZINC000019445679 558885722 /nfs/dbraw/zinc/88/57/22/558885722.db2.gz VFKPEPQZBIPSDI-OAQYLSRUSA-N 0 0 424.549 2.676 40 0 HFABRN CC(C)[C@@H](NC(=O)Cc1ccc2c(c1)OCCO2)c1cc(=O)[nH]c(-c2ccccn2)n1 ZINC000019445579 558885769 /nfs/dbraw/zinc/88/57/69/558885769.db2.gz SJQMNKUBFLNYCW-JOCHJYFZSA-N 0 0 420.469 2.659 40 0 HFABRN COCC(=O)N1CCO[C@@](Cc2ccccc2-c2ccsc2)(C(=O)NC(C)C)C1 ZINC000019449695 558888472 /nfs/dbraw/zinc/88/84/72/558888472.db2.gz GZQWLWWBXBIZRJ-JOCHJYFZSA-N 0 0 416.543 2.726 40 0 HFABRN CC(C)OCCN1CCN(C(=O)c2cc(-c3cnn(C)c3)nc3ccccc32)CC1 ZINC000019450452 558888911 /nfs/dbraw/zinc/88/89/11/558888911.db2.gz WRMGEKCHPNHLAJ-UHFFFAOYSA-N 0 0 407.518 2.818 40 0 HFABRN COc1ccc(S(=O)(=O)N2CCC[C@@]3(C2)OCCc2cnc(C(C)C)nc23)cc1 ZINC000019454215 558891264 /nfs/dbraw/zinc/89/12/64/558891264.db2.gz KKBXEDULXDLBJC-NRFANRHFSA-N 0 0 417.531 2.861 40 0 HFABRN C[C@H]1CCCN(c2nc3c(c(=O)[nH]2)CN(Cc2coc4ccccc4c2=O)CC3)C1 ZINC000019496580 558895440 /nfs/dbraw/zinc/89/54/40/558895440.db2.gz FSIQRLPNTPKXSH-HNNXBMFYSA-N 0 0 406.486 2.671 40 0 HFABRN CCSc1ncc(CN2CCC3(CC2)CNC(=O)c2ccc(OC)cc2O3)cn1 ZINC000019520522 558901522 /nfs/dbraw/zinc/90/15/22/558901522.db2.gz MPMCPGPFZZNMRB-UHFFFAOYSA-N 0 0 414.531 2.754 40 0 HFABRN CCc1cc(C(F)(F)F)n2nc([C@@H]3CCCN3C(=O)Cc3nonc3C)cc2n1 ZINC000019522279 558903568 /nfs/dbraw/zinc/90/35/68/558903568.db2.gz LYNNJVAUFSSECB-AWEZNQCLSA-N 0 0 408.384 2.908 40 0 HFABRN CCc1nccn1CCC(=O)N1CC[C@@H](C(=O)c2cnn(-c3ccc(C)cc3)c2N)C1 ZINC000019523625 558904908 /nfs/dbraw/zinc/90/49/08/558904908.db2.gz UYLAIDNSDXNTDF-QGZVFWFLSA-N 0 0 420.517 2.643 40 0 HFABRN CCCn1ncc(C)c1NC(=O)Cn1nc2c3c(C)c(C)sc3nc(C)n2c1=O ZINC000019525919 558907337 /nfs/dbraw/zinc/90/73/37/558907337.db2.gz QCWVPUGTGGNPIB-UHFFFAOYSA-N 0 0 413.507 2.585 40 0 HFABRN CCN(CC)C(=O)c1c[nH]nc1C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000019526267 558907628 /nfs/dbraw/zinc/90/76/28/558907628.db2.gz ASOYRJILQPUKIN-UHFFFAOYSA-N 0 0 408.499 2.599 40 0 HFABRN CCN(CC)C(=O)c1c[nH]nc1C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000019526265 558907694 /nfs/dbraw/zinc/90/76/94/558907694.db2.gz NITCVNMABREYIN-UHFFFAOYSA-N 0 0 404.536 2.768 40 0 HFABRN CCN1C(=O)c2ccccc2C(=O)[C@@]2(C)CN(S(=O)(=O)c3ccc(C)cc3)C[C@@H]12 ZINC000019528293 558909468 /nfs/dbraw/zinc/90/94/68/558909468.db2.gz YTOBXUPYTABWTP-KNQAVFIVSA-N 0 0 412.511 2.733 40 0 HFABRN Cc1nc(N2CCCC2)ncc1C(=O)N1CCC[C@@H](c2nc(-c3cccnc3)no2)C1 ZINC000019552816 558916049 /nfs/dbraw/zinc/91/60/49/558916049.db2.gz PELLTWNRLWOKIP-QGZVFWFLSA-N 0 0 419.489 2.850 40 0 HFABRN COc1cccc(C(=O)N2[C@@H](C(=O)[O-])COC23CC[NH+](Cc2ccccc2)CC3)c1 ZINC000071980639 558917353 /nfs/dbraw/zinc/91/73/53/558917353.db2.gz XZSSFGJVSDIJNU-HXUWFJFHSA-N 0 0 410.470 2.613 40 0 HFABRN COc1ccc(CCC(=O)N2CC[C@@H](c3cc(=O)[nH]c(-c4ccncc4)n3)C2)cc1 ZINC000019554484 558917457 /nfs/dbraw/zinc/91/74/57/558917457.db2.gz CUAKJKMVQNKYFV-GOSISDBHSA-N 0 0 404.470 2.789 40 0 HFABRN COc1ccc(OCC2CCN(C(=O)[C@@H]3CC(=O)N(Cc4ccncc4)C3)CC2)cc1 ZINC000019556825 558919093 /nfs/dbraw/zinc/91/90/93/558919093.db2.gz APOBHCOAGMDRLS-HXUWFJFHSA-N 0 0 423.513 2.756 40 0 HFABRN COc1ccc([C@@H]2CN(C(=O)C3CCC3)[C@H]3CCN(C(=O)Cn4ccnc4)C[C@@H]23)cc1 ZINC000019557254 558919397 /nfs/dbraw/zinc/91/93/97/558919397.db2.gz BMGJDJSZNDKLRO-FKBYEOEOSA-N 0 0 422.529 2.535 40 0 HFABRN COc1ccc(-c2cc3ncccc3c(NCCNC(=O)c3cnccn3)n2)cc1 ZINC000019558118 558920037 /nfs/dbraw/zinc/92/00/37/558920037.db2.gz IEJSHXSFDPOHGB-UHFFFAOYSA-N 0 0 400.442 2.937 40 0 HFABRN COc1ccc(C(=O)N2CCC[C@@H](Cn3nnc(-c4cccs4)n3)C2)cc1OC ZINC000019559836 558920857 /nfs/dbraw/zinc/92/08/57/558920857.db2.gz HIFMJFVCHGFNER-CQSZACIVSA-N 0 0 413.503 2.971 40 0 HFABRN Cc1nnsc1C(=O)N[C@@H](Cc1cc(=O)[nH]c(-c2cccnc2)n1)c1ccccc1 ZINC000019563597 558923685 /nfs/dbraw/zinc/92/36/85/558923685.db2.gz CLRGONBFKOCKIW-KRWDZBQOSA-N 0 0 418.482 2.706 40 0 HFABRN Cc1nnsc1C(=O)N1C[C@@H](c2cc(F)cc(F)c2)[C@]2(C1)CCCCC(=O)N2 ZINC000019563523 558923753 /nfs/dbraw/zinc/92/37/53/558923753.db2.gz IEYPOUAZWWUVQD-HNAYVOBHSA-N 0 0 406.458 2.793 40 0 HFABRN COc1ccc2[nH]c(C(=O)N3CCC[C@@H](c4[nH]nc5nccnc54)C3)cc2c1OC ZINC000019563752 558923917 /nfs/dbraw/zinc/92/39/17/558923917.db2.gz WBYSODQEYHIXTO-GFCCVEGCSA-N 0 0 406.446 2.871 40 0 HFABRN COc1cccc([C@H](NS(=O)(=O)c2ccc(OC)c(C)c2)c2nccn2C)c1 ZINC000019571451 558930145 /nfs/dbraw/zinc/93/01/45/558930145.db2.gz ICOYBDJCHPRXTC-IBGZPJMESA-N 0 0 401.488 2.814 40 0 HFABRN CS(=O)(=O)c1cc(Cl)cnc1[C@@H]1CCCN(C(=O)CCCn2ccnc2)C1 ZINC000019573292 558931502 /nfs/dbraw/zinc/93/15/02/558931502.db2.gz BGEMCCGRSDRCKP-CQSZACIVSA-N 0 0 410.927 2.521 40 0 HFABRN CS(=O)(=O)c1cnc(N2CCCC2)nc1C1CCN(C(=O)C[C@@H]2C=CCC2)CC1 ZINC000019573740 558931651 /nfs/dbraw/zinc/93/16/51/558931651.db2.gz IQUOCAYARUDSOM-MRXNPFEDSA-N 0 0 418.563 2.543 40 0 HFABRN Cc1cc(C)n(C[C@@H](C)C(=O)N2CCC[C@@H](n3nc(-c4ccco4)ccc3=O)C2)n1 ZINC000019573574 558931654 /nfs/dbraw/zinc/93/16/54/558931654.db2.gz MFFUSUHNDJZXJY-CRAIPNDOSA-N 0 0 409.490 2.816 40 0 HFABRN CN(C(=O)c1ccc(CN2CCOCC2)o1)c1nc2c(s1)[C@H]1CC[C@@H](C2)N1C ZINC000072325673 558933398 /nfs/dbraw/zinc/93/33/98/558933398.db2.gz AQUKQTPGUMMWQR-XJKSGUPXSA-N 0 0 402.520 2.536 40 0 HFABRN CN1[C@@H](C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)C[C@@H](c2ccc(F)cc2)NS1(=O)=O ZINC000072334997 558936001 /nfs/dbraw/zinc/93/60/01/558936001.db2.gz IVXKSDILQCNLQM-BMQTXXJKSA-N 0 0 423.554 2.833 40 0 HFABRN Cc1noc(C)c1CCC(=O)N1CCC[C@H]1C(=O)c1cnn(-c2ccccc2)c1N ZINC000019580685 558936385 /nfs/dbraw/zinc/93/63/85/558936385.db2.gz YWTPQDYHGMMNHH-IBGZPJMESA-N 0 0 407.474 2.866 40 0 HFABRN Cn1cc(-c2cc(C(=O)N3CCC([C@@H]4CC(=O)c5cc(F)ccc5O4)CC3)[nH]n2)cn1 ZINC000072336689 558937306 /nfs/dbraw/zinc/93/73/06/558937306.db2.gz DSPNTOXAFOTAOF-NRFANRHFSA-N 0 0 423.448 2.836 40 0 HFABRN CN(C)c1ncc(CN2CCC([C@@H](NC(=O)C3CCC3)c3ccccn3)CC2)cn1 ZINC000019585493 558939024 /nfs/dbraw/zinc/93/90/24/558939024.db2.gz XMARLVJMANKHIO-OAQYLSRUSA-N 0 0 408.550 2.807 40 0 HFABRN CN(CCc1ccccn1)c1nc([C@@H]2CC(=O)N(c3ccc(F)cc3)C2)cc(=O)[nH]1 ZINC000019586264 558939376 /nfs/dbraw/zinc/93/93/76/558939376.db2.gz SDCIVLIXJXHLAG-OAHLLOKOSA-N 0 0 407.449 2.503 40 0 HFABRN CCS(=O)(=O)N1CCC(c2nnc([C@H]3CCCCN3C(=O)C3CCCC3)o2)CC1 ZINC000072344888 558941376 /nfs/dbraw/zinc/94/13/76/558941376.db2.gz FAPNPWODFMYCEG-QGZVFWFLSA-N 0 0 424.567 2.843 40 0 HFABRN CNC(=O)[C@]1(Cc2ccccc2-c2ccncc2)CCN(C(=O)Cc2cccnc2)C1 ZINC000019591535 558942016 /nfs/dbraw/zinc/94/20/16/558942016.db2.gz JYELHSCOOSVOGS-VWLOTQADSA-N 0 0 414.509 2.894 40 0 HFABRN COc1ccccc1NC(=O)[C@H]1CN(C(=O)c2scnc2C)Cc2cn(C)nc21 ZINC000072345631 558942081 /nfs/dbraw/zinc/94/20/81/558942081.db2.gz BHLQKYPODMKQQM-AWEZNQCLSA-N 0 0 411.487 2.572 40 0 HFABRN Cn1cc2c(n1)[C@H](C(=O)NCCc1ccc(F)cc1)CN(C(=O)c1ccccc1)C2 ZINC000072345638 558942118 /nfs/dbraw/zinc/94/21/18/558942118.db2.gz KVINLUUBWGPVKV-HXUWFJFHSA-N 0 0 406.461 2.658 40 0 HFABRN O=C(N[C@H]1CCc2ccc(S(=O)(=O)NCCCn3cccn3)cc21)C1CCCC1 ZINC000072345844 558942218 /nfs/dbraw/zinc/94/22/18/558942218.db2.gz HUONCYADWCPFEJ-FQEVSTJZSA-N 0 0 416.547 2.545 40 0 HFABRN C[C@@H]1C[C@H](C)CN(C(=O)CN2c3c(cnn3-c3ccc(F)cc3)C3=NCCN3C2=O)C1 ZINC000072347783 558945038 /nfs/dbraw/zinc/94/50/38/558945038.db2.gz IEXFNHXOUYYZIO-GASCZTMLSA-N 0 0 424.480 2.518 40 0 HFABRN Cc1nc(C)n([C@H](C)CC(=O)N2CC=C(n3c(C)nc(=O)c4ccccc43)CC2)n1 ZINC000072348240 558945205 /nfs/dbraw/zinc/94/52/05/558945205.db2.gz CAVUODSHDGQMAH-CQSZACIVSA-N 0 0 406.490 2.638 40 0 HFABRN O=C(CN1CCN(C2CCCC2)C(=O)C1)Nc1ncc(Cc2ccccc2F)s1 ZINC000019658953 558950734 /nfs/dbraw/zinc/95/07/34/558950734.db2.gz KJJLTGMSESXKFL-UHFFFAOYSA-N 0 0 416.522 2.898 40 0 HFABRN COc1cc(OC)cc(-c2nnc(NC(=O)[C@H]3CC(=O)N(C(C)(C)C)C3)s2)c1 ZINC000019659763 558951085 /nfs/dbraw/zinc/95/10/85/558951085.db2.gz RZOWXLPOTGMMCP-LBPRGKRZSA-N 0 0 404.492 2.808 40 0 HFABRN Cc1cc(C)n(-c2ccc(C(=O)NC[C@H](c3cccnc3)N3CCOCC3)cc2)n1 ZINC000019660029 558951305 /nfs/dbraw/zinc/95/13/05/558951305.db2.gz ZNICAXJWHMEGFH-JOCHJYFZSA-N 0 0 405.502 2.687 40 0 HFABRN COc1ccc(S(=O)(=O)CCNC(=O)c2n[nH]c3c2C[C@H](C(C)(C)C)CC3)cc1 ZINC000019661502 558952506 /nfs/dbraw/zinc/95/25/06/558952506.db2.gz SWUXLNDKWZWOGC-CQSZACIVSA-N 0 0 419.547 2.773 40 0 HFABRN NC(=O)c1cccc(-c2nccnc2[C@@H]2CCCN(C(=O)Cc3ccncc3)C2)c1 ZINC000072358845 558954527 /nfs/dbraw/zinc/95/45/27/558954527.db2.gz SDAREWLBVGSBRO-LJQANCHMSA-N 0 0 401.470 2.586 40 0 HFABRN Cn1c(COCC(=O)Nc2ccc(N3CCCC3)c3nonc32)nc2ccccc21 ZINC000019663907 558954614 /nfs/dbraw/zinc/95/46/14/558954614.db2.gz FGSOQDLHEHNNLQ-UHFFFAOYSA-N 0 0 406.446 2.865 40 0 HFABRN Cn1cnc(S(=O)(=O)N2CCC[C@@H](c3nccnc3-c3ccc(F)cc3)C2)c1 ZINC000072359142 558954694 /nfs/dbraw/zinc/95/46/94/558954694.db2.gz ZOMJNKQWGHEZSL-OAHLLOKOSA-N 0 0 401.467 2.585 40 0 HFABRN O=C(CN1CCC[C@@H](c2cncc(-c3cccc(Cl)c3)n2)C1)N1CCOCC1 ZINC000072359379 558954996 /nfs/dbraw/zinc/95/49/96/558954996.db2.gz RYJIYMOKBDNVIP-QGZVFWFLSA-N 0 0 400.910 2.835 40 0 HFABRN CCc1cc2c(ncn(CC(=O)N(C)Cc3nnc(-c4ccccc4)o3)c2=O)s1 ZINC000019665575 558955670 /nfs/dbraw/zinc/95/56/70/558955670.db2.gz IOFZTLWCEINWNI-UHFFFAOYSA-N 0 0 409.471 2.729 40 0 HFABRN Cn1nccc1C[N@@H+]1CCCC[C@@H]1Cc1c2ccccc2sc1C(=O)NCCO ZINC000072370607 558956947 /nfs/dbraw/zinc/95/69/47/558956947.db2.gz FMSAUWHSIXYSEH-MRXNPFEDSA-N 0 0 412.559 2.954 40 0 HFABRN CNC(=O)c1ccc(-c2ccc(C3CCN(C(=O)c4cnc(C)cn4)CC3)nc2)cn1 ZINC000019688996 558958355 /nfs/dbraw/zinc/95/83/55/558958355.db2.gz YFMZASWMWXYWLY-UHFFFAOYSA-N 0 0 416.485 2.621 40 0 HFABRN O=C(CC[C@H]1NC(=O)NC1=O)N1CCC(c2ccc(Cc3ccc(F)cc3)cn2)CC1 ZINC000019690481 558960045 /nfs/dbraw/zinc/96/00/45/558960045.db2.gz RMNXKWOTVIWIEQ-HXUWFJFHSA-N 0 0 424.476 2.506 40 0 HFABRN CC(=O)NCC(=O)N1CCC[C@@H]1c1nc(C)c2c(n1)N(CCc1ccccc1)CCC2 ZINC000072372935 558960482 /nfs/dbraw/zinc/96/04/82/558960482.db2.gz XAMPBCMAXOOUBM-OAQYLSRUSA-N 0 0 421.545 2.580 40 0 HFABRN Cc1cc(Cc2cccc(F)c2)cc(C2CCN(C(=O)CCn3cnnn3)CC2)n1 ZINC000019691623 558960823 /nfs/dbraw/zinc/96/08/23/558960823.db2.gz ATMXEVICNJEINW-UHFFFAOYSA-N 0 0 408.481 2.903 40 0 HFABRN CC(=O)NCC(=O)N1CCC[C@@H](c2nc(N(C)C)ncc2-c2ccc(Cl)cc2)C1 ZINC000019693975 558962120 /nfs/dbraw/zinc/96/21/20/558962120.db2.gz ZXUYCEZJHVBQBZ-MRXNPFEDSA-N 0 0 415.925 2.705 40 0 HFABRN CN(C)c1ncc(-c2ccc(Cl)cc2)c([C@@H]2CCCN(S(=O)(=O)N(C)C)C2)n1 ZINC000019694561 558963227 /nfs/dbraw/zinc/96/32/27/558963227.db2.gz LGBILTABQIRNHK-OAHLLOKOSA-N 0 0 423.970 2.849 40 0 HFABRN O=C(Cc1ccccn1)N1CCC(c2cc(C(F)(F)F)c3c(n2)CCNC3=O)CC1 ZINC000019703783 558967930 /nfs/dbraw/zinc/96/79/30/558967930.db2.gz ZYKQKANLMRTGBO-UHFFFAOYSA-N 0 0 418.419 2.730 40 0 HFABRN Cc1cnn(CC(=O)N2CCC(c3ccc(C(=O)Nc4nccs4)cn3)CC2)c1 ZINC000019705840 558968293 /nfs/dbraw/zinc/96/82/93/558968293.db2.gz DPQAJBHTXPBUQW-UHFFFAOYSA-N 0 0 410.503 2.702 40 0 HFABRN Cc1nc([C@H]2CCCCN2S(C)(=O)=O)nc2c1CCCN2CCc1ccccn1 ZINC000019706892 558969046 /nfs/dbraw/zinc/96/90/46/558969046.db2.gz ALVOLSYCBZJFSR-LJQANCHMSA-N 0 0 415.563 2.662 40 0 HFABRN CNC(=O)[C@]1(Cc2cccc(-c3ccc(C)cc3)c2)CN(C(=O)[C@H]2CCCO2)CCO1 ZINC000072389141 558969573 /nfs/dbraw/zinc/96/95/73/558969573.db2.gz FPNLPLAEFACOQC-RDGATRHJSA-N 0 0 422.525 2.727 40 0 HFABRN Cc1cccc(CCNC(=O)c2ccc(C3CCN(S(C)(=O)=O)CC3)nc2)c1 ZINC000019708230 558970385 /nfs/dbraw/zinc/97/03/85/558970385.db2.gz OPCKZLPHNLCCRD-UHFFFAOYSA-N 0 0 401.532 2.502 40 0 HFABRN CNc1nc([C@H]2CCCN(C(=O)CCc3ccc(OC)cc3)C2)nc2c1CCN(C)C2 ZINC000019708787 558971545 /nfs/dbraw/zinc/97/15/45/558971545.db2.gz LDDNYCBIIRYOQY-SFHVURJKSA-N 0 0 423.561 2.854 40 0 HFABRN COC(=O)[C@@H](Cc1ccccc1)NCc1cc(-c2ccc(F)cc2)cn2nnnc12 ZINC000072392365 558972159 /nfs/dbraw/zinc/97/21/59/558972159.db2.gz KEILIOXJAGZANJ-HXUWFJFHSA-N 0 0 405.433 2.804 40 0 HFABRN CNc1nc(C2CCN(C(=O)[C@H](C)Oc3ccc(C)cc3)CC2)nc2c1CCN(C)C2 ZINC000019710832 558972905 /nfs/dbraw/zinc/97/29/05/558972905.db2.gz MSSKJEVLLZXKNP-KRWDZBQOSA-N 0 0 423.561 2.988 40 0 HFABRN CNc1nc([C@H]2CCCN2C(=O)CCc2ccc(OC)cc2)nc2c1CN(C)CC2 ZINC000019710881 558973156 /nfs/dbraw/zinc/97/31/56/558973156.db2.gz HZEFHFJSNCTHIJ-HXUWFJFHSA-N 0 0 409.534 2.811 40 0 HFABRN CC[C@@H]1Oc2ccc(C(=O)c3ccco3)cc2N(CC(=O)NCc2ccco2)C1=O ZINC000072396666 558975557 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419.478 2.824 40 0 HFABRN COc1ccc([C@H](C)NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2OC)cc1 ZINC000216252624 568463804 /nfs/dbraw/zinc/46/38/04/568463804.db2.gz RSFANDHSVCOEJD-HNNXBMFYSA-N 0 0 418.515 2.979 40 0 HFABRN COc1ccc(C(O)=C2[C@@H](c3ccccc3OC)NC(=O)N[C@]2(O)C(F)(F)F)cc1 ZINC000006924866 568464032 /nfs/dbraw/zinc/46/40/32/568464032.db2.gz LGAGAQGJDZRIPH-GPMSIDNRSA-N 0 0 424.375 2.808 40 0 HFABRN Cc1cc(C)cc(N(CC(=O)NCc2ccccc2-n2ccnc2)S(C)(=O)=O)c1 ZINC000216308886 568464366 /nfs/dbraw/zinc/46/43/66/568464366.db2.gz CGZXOTFCBJVLQE-UHFFFAOYSA-N 0 0 412.515 2.572 40 0 HFABRN CCOc1ccc(N(CC(=O)NCc2ccc(OC(C)C)cc2)S(C)(=O)=O)cc1 ZINC000216317397 568464414 /nfs/dbraw/zinc/46/44/14/568464414.db2.gz WOYUPRZOSBIDRP-UHFFFAOYSA-N 0 0 420.531 2.955 40 0 HFABRN Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NCc1ccccc1-n1ccnc1 ZINC000216341593 568464548 /nfs/dbraw/zinc/46/45/48/568464548.db2.gz HQPXWLRSQYKYEW-UHFFFAOYSA-N 0 0 424.526 2.895 40 0 HFABRN COCCCNC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000022275506 568477890 /nfs/dbraw/zinc/47/78/90/568477890.db2.gz PFCOCERKAWXXGS-UHFFFAOYSA-N 0 0 404.532 2.960 40 0 HFABRN COc1cc2c(cc1OC)N(C)S(=O)(=O)C(C(=O)N(C)Cc1ccccc1)=C2C ZINC000219187815 568487742 /nfs/dbraw/zinc/48/77/42/568487742.db2.gz ROPYROXAJFNWNI-UHFFFAOYSA-N 0 0 416.499 2.873 40 0 HFABRN Cc1ccc([C@H](C)NC(=O)CN(c2ccccc2F)S(=O)(=O)N(C)C)cc1C ZINC000219244414 568488452 /nfs/dbraw/zinc/48/84/52/568488452.db2.gz JBWVWRQIYXBPGZ-INIZCTEOSA-N 0 0 407.511 2.933 40 0 HFABRN CC[C@@H](NC(=O)c1cccc(CN2CCOCC2)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000219247829 568488495 /nfs/dbraw/zinc/48/84/95/568488495.db2.gz CBSKJMLMJDOCOU-OAQYLSRUSA-N 0 0 416.543 2.803 40 0 HFABRN COc1ccc(N([C@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)S(C)(=O)=O)cc1OC ZINC000260592327 568491256 /nfs/dbraw/zinc/49/12/56/568491256.db2.gz SVSFNHIFLZRLOZ-ZIAGYGMSSA-N 0 0 424.494 2.875 40 0 HFABRN C[C@H](CCc1ccccc1)NC(=O)CCCN1C(=O)c2ccccc2S1(=O)=O ZINC000219439652 568492282 /nfs/dbraw/zinc/49/22/82/568492282.db2.gz BYEBOJIFECPYIB-MRXNPFEDSA-N 0 0 400.500 2.749 40 0 HFABRN CCC(C)(C)n1nnnc1[C@H](c1cc2ccc(C)c(C)c2[nH]c1=O)N1CCC(O)CC1 ZINC000057589666 568492850 /nfs/dbraw/zinc/49/28/50/568492850.db2.gz ZJYZLNXVTGRHJG-FQEVSTJZSA-N 0 0 424.549 2.823 40 0 HFABRN Cc1cccc2cc([C@@H](c3nnnn3C3CCCCC3)N3CCC(O)CC3)c(=O)[nH]c12 ZINC000057589688 568492857 /nfs/dbraw/zinc/49/28/57/568492857.db2.gz OCRGVOSNICBGSD-NRFANRHFSA-N 0 0 422.533 2.874 40 0 HFABRN Cc1ccc(O[C@H](C)C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c(C)c1 ZINC000219524856 568493860 /nfs/dbraw/zinc/49/38/60/568493860.db2.gz LMRZHLCOYQBOJP-GOSISDBHSA-N 0 0 402.516 2.604 40 0 HFABRN Cc1cc(C)cc(O[C@H](C)C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c1 ZINC000219540393 568494350 /nfs/dbraw/zinc/49/43/50/568494350.db2.gz LTCBBXMQBQSJKJ-GOSISDBHSA-N 0 0 402.516 2.604 40 0 HFABRN CCC[C@@H](c1nnnn1CCOC)N1CCN(c2nc3ccccc3s2)CC1 ZINC000057670003 568494558 /nfs/dbraw/zinc/49/45/58/568494558.db2.gz QZPVKAHOLHLBDJ-INIZCTEOSA-N 0 0 401.540 2.593 40 0 HFABRN CCOc1ccc(CC(=O)NCCn2nc3c(cc2=O)CCCCC3)cc1OCC ZINC000057761242 568496862 /nfs/dbraw/zinc/49/68/62/568496862.db2.gz DUXTVDQLFUIXIA-UHFFFAOYSA-N 0 0 413.518 2.669 40 0 HFABRN CN(CCNC(=O)c1ccc(CS(=O)(=O)N2CCCCC2)cc1)c1ccccc1 ZINC000219968822 568500660 /nfs/dbraw/zinc/50/06/60/568500660.db2.gz HYVXIYKQLBFDTI-UHFFFAOYSA-N 0 0 415.559 2.869 40 0 HFABRN CCOc1cccc(CNC(=O)CN(c2cccc(OC(C)C)c2)S(C)(=O)=O)c1 ZINC000220111784 568502422 /nfs/dbraw/zinc/50/24/22/568502422.db2.gz QJGSREZMOAPUDA-UHFFFAOYSA-N 0 0 420.531 2.955 40 0 HFABRN Cc1ccc(OCCNC(=O)CN(c2cccc(OC(C)C)c2)S(C)(=O)=O)cc1 ZINC000220110249 568502455 /nfs/dbraw/zinc/50/24/55/568502455.db2.gz FBFDQJXRZNJGGC-UHFFFAOYSA-N 0 0 420.531 2.743 40 0 HFABRN COc1cccc(N([C@@H](C)C(=O)NCc2cccc(OC(C)C)c2)S(C)(=O)=O)c1 ZINC000220176205 568502993 /nfs/dbraw/zinc/50/29/93/568502993.db2.gz KTNCABLJVUJXRA-INIZCTEOSA-N 0 0 420.531 2.953 40 0 HFABRN COc1ccc([C@H](C)NC(=O)[C@H](C)N(c2cccc(OC)c2)S(C)(=O)=O)cc1 ZINC000220182265 568503133 /nfs/dbraw/zinc/50/31/33/568503133.db2.gz GGSIVQBIIVVSEG-GJZGRUSLSA-N 0 0 406.504 2.736 40 0 HFABRN COc1ccc(OC)c(N([C@H](C)C(=O)Nc2cccc(C(C)=O)c2)S(C)(=O)=O)c1 ZINC000220215853 568503584 /nfs/dbraw/zinc/50/35/84/568503584.db2.gz ZSLBVGQKOYGEJY-CYBMUJFWSA-N 0 0 420.487 2.700 40 0 HFABRN CCOc1ccc(NC(=O)[C@H](C)N(c2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1 ZINC000220227056 568503674 /nfs/dbraw/zinc/50/36/74/568503674.db2.gz DEBJCTIPCFAWJR-AWEZNQCLSA-N 0 0 422.503 2.896 40 0 HFABRN COc1ccc(N([C@H](C)C(=O)NC(C(C)C)C(C)C)S(C)(=O)=O)cc1OC ZINC000220230751 568503718 /nfs/dbraw/zinc/50/37/18/568503718.db2.gz PAIPNBZOWNKINX-CQSZACIVSA-N 0 0 400.541 2.655 40 0 HFABRN COc1ccc(N([C@H](C)C(=O)Nc2ccc(F)cc2F)S(C)(=O)=O)cc1OC ZINC000220233516 568503811 /nfs/dbraw/zinc/50/38/11/568503811.db2.gz SUKSLHZBHPYXQG-LLVKDONJSA-N 0 0 414.430 2.775 40 0 HFABRN C[C@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)N(c1ccccc1F)S(C)(=O)=O ZINC000220318206 568504567 /nfs/dbraw/zinc/50/45/67/568504567.db2.gz FAZYOBUJXPKNLB-CQSZACIVSA-N 0 0 419.478 2.746 40 0 HFABRN COc1ccc(OC)c(NC(=O)[C@H](C)N(c2cc(C)ccc2OC)S(C)(=O)=O)c1 ZINC000220329075 568504677 /nfs/dbraw/zinc/50/46/77/568504677.db2.gz OXHILCDRSGVORL-AWEZNQCLSA-N 0 0 422.503 2.814 40 0 HFABRN COc1ccc(OC[C@@H](C)NC(=O)[C@H](C)N(c2cccc(F)c2)S(C)(=O)=O)cc1 ZINC000220483077 568506011 /nfs/dbraw/zinc/50/60/11/568506011.db2.gz MSNBSMZATKQMQB-CABCVRRESA-N 0 0 424.494 2.573 40 0 HFABRN Cc1ccccc1OC[C@H](C)NC(=O)[C@@H](C)N(c1cccc(F)c1)S(C)(=O)=O ZINC000220488203 568506104 /nfs/dbraw/zinc/50/61/04/568506104.db2.gz WKKSVEJHRPBOIY-JKSUJKDBSA-N 0 0 408.495 2.872 40 0 HFABRN CC[C@H](C(=O)Nc1ccc2c(c1)OCCO2)N(c1cccc(OC)c1)S(C)(=O)=O ZINC000220619654 568507526 /nfs/dbraw/zinc/50/75/26/568507526.db2.gz NCNHOHMCNBFFEM-QGZVFWFLSA-N 0 0 420.487 2.650 40 0 HFABRN CC[C@@H](C(=O)NCCOc1ccc(C)cc1)N(c1cccc(OC)c1)S(C)(=O)=O ZINC000220627178 568507655 /nfs/dbraw/zinc/50/76/55/568507655.db2.gz DKVWECZZPOPSLH-FQEVSTJZSA-N 0 0 420.531 2.743 40 0 HFABRN CNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)COc1cc(OC)cc(OC)c1 ZINC000222385411 568515060 /nfs/dbraw/zinc/51/50/60/568515060.db2.gz HXJBDWPJGDMCPQ-INIZCTEOSA-N 0 0 400.475 2.554 40 0 HFABRN COc1cccc(N(CCCC(=O)N2CCc3ccccc3C2)S(C)(=O)=O)c1 ZINC000222588671 568519436 /nfs/dbraw/zinc/51/94/36/568519436.db2.gz FSNSBMNYVWOIFT-UHFFFAOYSA-N 0 0 402.516 2.826 40 0 HFABRN COc1ccc(N(CCCC(=O)NCCOc2ccc(C)cc2)S(C)(=O)=O)cc1 ZINC000222605503 568520240 /nfs/dbraw/zinc/52/02/40/568520240.db2.gz ATUXDTLELDISFE-UHFFFAOYSA-N 0 0 420.531 2.745 40 0 HFABRN CCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccccc2C(=O)NC2CCCCC2)C1 ZINC000222610157 568520497 /nfs/dbraw/zinc/52/04/97/568520497.db2.gz LGANGTIASTZTQK-MRXNPFEDSA-N 0 0 421.563 2.749 40 0 HFABRN CCOC(=O)c1cc(NC(=O)[C@@H]2CCCN(S(=O)(=O)CC)C2)ccc1Cl ZINC000222614978 568520714 /nfs/dbraw/zinc/52/07/14/568520714.db2.gz KYIFUJRUNRQBPD-GFCCVEGCSA-N 0 0 402.900 2.517 40 0 HFABRN COc1ccc2c(c1)[C@H](NC(=O)CN(C)S(=O)(=O)c1ccccc1)CC(C)(C)O2 ZINC000222651557 568522331 /nfs/dbraw/zinc/52/23/31/568522331.db2.gz FEUHCTOMRLRONZ-GOSISDBHSA-N 0 0 418.515 2.734 40 0 HFABRN C[C@H](NC(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O)c1ccc2c(c1)OCCO2 ZINC000222667107 568522881 /nfs/dbraw/zinc/52/28/81/568522881.db2.gz ILKMHLXYNJGXBQ-ZDUSSCGKSA-N 0 0 424.906 2.755 40 0 HFABRN COCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1ccccc1Cl ZINC000222724335 568524807 /nfs/dbraw/zinc/52/48/07/568524807.db2.gz IRUAJRIVBHVBTO-INIZCTEOSA-N 0 0 404.894 2.899 40 0 HFABRN C[C@@H](NC(=O)[C@@H](C)N(c1ccccc1F)S(C)(=O)=O)c1ccc2c(c1)OCCO2 ZINC000222724712 568524833 /nfs/dbraw/zinc/52/48/33/568524833.db2.gz PRHXUBFBHXTQLO-ZIAGYGMSSA-N 0 0 422.478 2.629 40 0 HFABRN CC[C@@H](NC(=O)CN(C)S(=O)(=O)c1ccc(OC)c(OC)c1)c1ccccc1 ZINC000222772785 568526094 /nfs/dbraw/zinc/52/60/94/568526094.db2.gz CKCVHDLOXGLBSO-QGZVFWFLSA-N 0 0 406.504 2.592 40 0 HFABRN CCCNS(=O)(=O)c1ccc(OCC(=O)N(C)c2cccc(OC)c2)c(C)c1 ZINC000222791947 568526691 /nfs/dbraw/zinc/52/66/91/568526691.db2.gz YSAVFTMJARZNIP-UHFFFAOYSA-N 0 0 406.504 2.734 40 0 HFABRN CNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CCc1ccc(OC)c(OC)c1 ZINC000222816709 568527303 /nfs/dbraw/zinc/52/73/03/568527303.db2.gz WLWUMTSGZPUYDR-INIZCTEOSA-N 0 0 414.502 2.808 40 0 HFABRN CNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CCc1ccc2c(c1)OCCO2 ZINC000222820867 568527431 /nfs/dbraw/zinc/52/74/31/568527431.db2.gz LEMXIVVBUQDSFN-MRXNPFEDSA-N 0 0 412.486 2.562 40 0 HFABRN CCCNS(=O)(=O)c1ccc(CCC(=O)NCc2c(OC)cccc2OC)cc1 ZINC000222870683 568529111 /nfs/dbraw/zinc/52/91/11/568529111.db2.gz TVDULZHEUGNSGC-UHFFFAOYSA-N 0 0 420.531 2.641 40 0 HFABRN CC[C@@H](C(=O)NC)N(Cc1ccccc1)C(=O)COc1cc(OC)cc(OC)c1 ZINC000222953321 568532137 /nfs/dbraw/zinc/53/21/37/568532137.db2.gz HRTOWMSRURQFEI-FQEVSTJZSA-N 0 0 400.475 2.636 40 0 HFABRN CC[C@@H](C(=O)NC)N(Cc1ccccc1)C(=O)CCCN1C(=O)c2ccccc2C1=O ZINC000222955494 568532193 /nfs/dbraw/zinc/53/21/93/568532193.db2.gz ZJUQKDKNKMTABT-FQEVSTJZSA-N 0 0 421.497 2.616 40 0 HFABRN Cc1cc(C)cc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4C[C@H](C)C[C@@H](C)C4)[nH]c(=O)c32)c1 ZINC000223051331 568535714 /nfs/dbraw/zinc/53/57/14/568535714.db2.gz XWWYXCLKWNGGRK-BFYDXBDKSA-N 0 0 423.517 2.934 40 0 HFABRN CC(C)Sc1nnc(NC(=O)[C@@H](C)N(c2ccccc2F)S(C)(=O)=O)s1 ZINC000223053193 568535720 /nfs/dbraw/zinc/53/57/20/568535720.db2.gz YAUXFOVFLCJXGG-SNVBAGLBSA-N 0 0 418.541 2.971 40 0 HFABRN CCc1ccccc1NC(=O)[C@@H]1CC(=O)Nc2nc(N3C[C@H](C)C[C@@H](C)C3)[nH]c(=O)c21 ZINC000223050805 568535726 /nfs/dbraw/zinc/53/57/26/568535726.db2.gz XQXLQOPTOBLMDA-IIAWOOMASA-N 0 0 423.517 2.879 40 0 HFABRN Cc1ccc(C)c(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCC[C@@H](C)C4)[nH]c(=O)c32)c1 ZINC000223054958 568535787 /nfs/dbraw/zinc/53/57/87/568535787.db2.gz SDFAVGABCCOYIY-HIFRSBDPSA-N 0 0 409.490 2.688 40 0 HFABRN Cc1ccc2[nH]c(=O)c(CN(CCN3CCOCC3)C(=S)NCC(C)C)cc2c1 ZINC000026099810 568539026 /nfs/dbraw/zinc/53/90/26/568539026.db2.gz GZOMGXMPEKXAAX-UHFFFAOYSA-N 0 0 416.591 2.501 40 0 HFABRN CC(C)(C)n1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c1 ZINC000223135461 568539041 /nfs/dbraw/zinc/53/90/41/568539041.db2.gz XSWDADAYHCCHGH-PMACEKPBSA-N 0 0 413.591 2.943 40 0 HFABRN CC(C)(C)n1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c1 ZINC000223135284 568539104 /nfs/dbraw/zinc/53/91/04/568539104.db2.gz XSWDADAYHCCHGH-WOJBJXKFSA-N 0 0 413.591 2.943 40 0 HFABRN CCCSc1nnc(NC(=O)c2ccc(N(C)S(C)(=O)=O)c(C)c2)s1 ZINC000223166501 568539807 /nfs/dbraw/zinc/53/98/07/568539807.db2.gz NBWCQDIPLXQAAH-UHFFFAOYSA-N 0 0 400.551 2.997 40 0 HFABRN CC(C)C(=O)N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)NCCCO ZINC000223201417 568540920 /nfs/dbraw/zinc/54/09/20/568540920.db2.gz LEEMWGFROKIRIF-OAQYLSRUSA-N 0 0 400.494 2.920 40 0 HFABRN C[C@H](NC(=O)c1ccc(N(C)S(=O)(=O)N(C)C)cc1)c1ccc2c(c1)CCC2 ZINC000223202059 568540951 /nfs/dbraw/zinc/54/09/51/568540951.db2.gz CMECVTQBBMBGEO-HNNXBMFYSA-N 0 0 401.532 2.909 40 0 HFABRN Cc1c(NS(C)(=O)=O)cccc1C(=O)NCC1(c2ccccc2)CCOCC1 ZINC000223215280 568541257 /nfs/dbraw/zinc/54/12/57/568541257.db2.gz FTRANDLFOOSKHB-UHFFFAOYSA-N 0 0 402.516 2.845 40 0 HFABRN NC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)c2ccccc2)cc1 ZINC000223264959 568543342 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/nfs/dbraw/zinc/46/97/74/558469774.db2.gz KOONQCNXVILJQJ-UHFFFAOYSA-N 0 0 406.479 2.793 40 0 HFABRN CCN(CC)C(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(OC)c(C)c1 ZINC000022247151 558472569 /nfs/dbraw/zinc/47/25/69/558472569.db2.gz GXJGBAGJPMAWHT-IBGZPJMESA-N 0 0 404.532 2.762 40 0 HFABRN CCN(c1cc(OC)c(OC)cc1C(=O)N[C@H](C)c1ccccc1)S(C)(=O)=O ZINC000022251812 558473333 /nfs/dbraw/zinc/47/33/33/558473333.db2.gz UIGYGUBUCIGQCT-CQSZACIVSA-N 0 0 406.504 2.981 40 0 HFABRN CCS(=O)(=O)N(C)c1cc(OC)c(OC)cc1C(=O)Nc1ccccc1OC ZINC000022252764 558473817 /nfs/dbraw/zinc/47/38/17/558473817.db2.gz SFPPLZDKFLTKPZ-UHFFFAOYSA-N 0 0 408.476 2.751 40 0 HFABRN COc1ccccc1CCCNC(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000022329117 558479256 /nfs/dbraw/zinc/47/92/56/558479256.db2.gz WKRRVMCUBYQSRI-UHFFFAOYSA-N 0 0 404.532 2.827 40 0 HFABRN Cc1ccc(OC[C@@H](C)NC(=O)CN(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1 ZINC000022329266 558479280 /nfs/dbraw/zinc/47/92/80/558479280.db2.gz ACTIHANBLICIJW-GOSISDBHSA-N 0 0 404.532 2.962 40 0 HFABRN CCc1ccccc1N(CC(=O)N[C@H](C)COc1ccc(C)cc1)S(C)(=O)=O ZINC000022329952 558479416 /nfs/dbraw/zinc/47/94/16/558479416.db2.gz ZSOISNRLTRXNGB-QGZVFWFLSA-N 0 0 404.532 2.907 40 0 HFABRN CCOc1ccccc1N(CC(=O)NCc1cccc(OC(C)C)c1)S(C)(=O)=O ZINC000022332816 558480506 /nfs/dbraw/zinc/48/05/06/558480506.db2.gz MVGJJJMCAYUCPI-UHFFFAOYSA-N 0 0 420.531 2.955 40 0 HFABRN COc1ccc(OC)c(N(CC(=O)N[C@H](C)c2ccc(C)cc2C)S(C)(=O)=O)c1 ZINC000022334068 558480891 /nfs/dbraw/zinc/48/08/91/558480891.db2.gz NSFLXZQPKQIENJ-MRXNPFEDSA-N 0 0 420.531 2.964 40 0 HFABRN CC(=O)c1cccc(N(CC(=O)N[C@@H]2CCCc3ccccc32)S(C)(=O)=O)c1 ZINC000022366762 558483500 /nfs/dbraw/zinc/48/35/00/558483500.db2.gz BYDJSBHRHFYUFF-HXUWFJFHSA-N 0 0 400.500 2.849 40 0 HFABRN CCCOc1ccc(N(CC(=O)NCc2ccc(OC)cc2)S(C)(=O)=O)cc1 ZINC000022385798 558485287 /nfs/dbraw/zinc/48/52/87/558485287.db2.gz QDCDQCDUOMSECR-UHFFFAOYSA-N 0 0 406.504 2.566 40 0 HFABRN Cc1nccn1-c1ccccc1CNC(=O)CN(c1ccccc1C)S(C)(=O)=O ZINC000022432100 558489455 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Cc1cccc(OC[C@@H](O)CN2CCN(CC(=O)Nc3ccc(C)cc3C)CC2)c1 ZINC000022587162 558499978 /nfs/dbraw/zinc/49/99/78/558499978.db2.gz GIZNKRABTUYBJH-NRFANRHFSA-N 0 0 411.546 2.608 40 0 HFABRN Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCCCC4)[nH]c(=O)c32)c(Cl)c1 ZINC000022610034 558501303 /nfs/dbraw/zinc/50/13/03/558501303.db2.gz QZXHRRFACOXZOM-GFCCVEGCSA-N 0 0 415.881 2.787 40 0 HFABRN COc1ccc(F)cc1S(=O)(=O)N(C)CC(=O)N[C@H](C)CCc1ccccc1 ZINC000013581084 558544627 /nfs/dbraw/zinc/54/46/27/558544627.db2.gz JQAGOSNPDDNRIV-OAHLLOKOSA-N 0 0 408.495 2.592 40 0 HFABRN CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2ccc3c(c2)OCCO3)cc1 ZINC000013633326 558553017 /nfs/dbraw/zinc/55/30/17/558553017.db2.gz LHUGDDDAPLGFCP-UHFFFAOYSA-N 0 0 420.487 2.506 40 0 HFABRN CCOc1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2OC)cc1 ZINC000013647811 558557368 /nfs/dbraw/zinc/55/73/68/558557368.db2.gz RBFOZSQLELOCGB-UHFFFAOYSA-N 0 0 418.515 2.808 40 0 HFABRN CCOC(=O)c1ccc(C)c(NC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)c1 ZINC000013668357 558560366 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HFABRN COc1cc(OC)cc(OCC(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)c1 ZINC000013684072 558568290 /nfs/dbraw/zinc/56/82/90/558568290.db2.gz LBENYKUZRHSBFZ-HNNXBMFYSA-N 0 0 414.458 2.630 40 0 HFABRN CC[C@H](C(=O)NCc1ccc2c(c1)OCO2)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000013716600 558579580 /nfs/dbraw/zinc/57/95/80/558579580.db2.gz JNTKAUOEAOBLII-GOSISDBHSA-N 0 0 418.515 2.893 40 0 HFABRN COc1ccc([C@@H]2OC[C@@H]3O[C@H](OC)[C@@H](OCc4ccccc4)C(=O)[C@H]3O2)cc1 ZINC000014919969 558679365 /nfs/dbraw/zinc/67/93/65/558679365.db2.gz VQDQWTWFTKEJMK-YOESJJQFSA-N 0 0 400.427 2.635 40 0 HFABRN COC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)Cc2ccc(OC)c(OC)c2)c1 ZINC000027947197 558685186 /nfs/dbraw/zinc/68/51/86/558685186.db2.gz RFPHNHGBWNAONI-UHFFFAOYSA-N 0 0 413.879 2.965 40 0 HFABRN COc1ccc(S(=O)(=O)NCCOc2ccc(F)cc2)cc1Br ZINC000028332985 558699464 /nfs/dbraw/zinc/69/94/64/558699464.db2.gz QEBDXWMJXUSRPG-UHFFFAOYSA-N 0 0 404.257 2.954 40 0 HFABRN CS(=O)(=O)Nc1ccc(C(=O)NCCCN2CCc3ccccc32)c(Cl)c1 ZINC000030868671 558742915 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418.515 2.565 40 0 HFABRN O=C(/C=C/c1ccccc1Cl)N1CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000035183278 558788950 /nfs/dbraw/zinc/78/89/50/558788950.db2.gz WQARXTUMVAKULI-GNISGLHKSA-N 0 0 400.906 2.937 40 0 HFABRN CN(C)S(=O)(=O)N(CC(=O)N(C)Cc1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000038755058 558814302 /nfs/dbraw/zinc/81/43/02/558814302.db2.gz JINZPFOWJPMBFS-UHFFFAOYSA-N 0 0 413.902 2.751 40 0 HFABRN Cc1ccc(OCCNC(=O)c2ccc(CS(=O)(=O)N3CCCC3)cc2)cc1 ZINC000038757231 558815083 /nfs/dbraw/zinc/81/50/83/558815083.db2.gz NWNFRSKGOKFSEE-UHFFFAOYSA-N 0 0 402.516 2.729 40 0 HFABRN CN(Cc1ccccc1)C(=O)[C@H]1CCN(S(C)(=O)=O)c2cc(Cl)ccc2O1 ZINC000038832930 558817092 /nfs/dbraw/zinc/81/70/92/558817092.db2.gz QXZJYIOIPCYRNH-GOSISDBHSA-N 0 0 408.907 2.916 40 0 HFABRN CS(=O)(=O)N1CC[C@@H](C(=O)NCCSC2CCCCC2)Oc2ccccc21 ZINC000038852915 558819069 /nfs/dbraw/zinc/81/90/69/558819069.db2.gz DFCHRXUPPJXOFC-SFHVURJKSA-N 0 0 412.577 2.786 40 0 HFABRN CCN(CC(=O)NCc1ccccc1Cl)S(=O)(=O)c1cc(F)ccc1OC ZINC000039986311 558823951 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BJKHLTHUFZEXDP-ZDUSSCGKSA-N 0 0 410.503 2.566 40 0 HFABRN COc1ccc(OC)c(C(=O)N2CCC(c3nnc(-c4cnc(C)cn4)o3)CC2)c1 ZINC000019239234 558857877 /nfs/dbraw/zinc/85/78/77/558857877.db2.gz KOKHTMPVSHQMMP-UHFFFAOYSA-N 0 0 409.446 2.872 40 0 HFABRN COc1ccc(C(=O)N2CCC(c3nnc(-c4cnc(C)cn4)o3)CC2)c(OC)c1 ZINC000019239240 558857879 /nfs/dbraw/zinc/85/78/79/558857879.db2.gz PILDPNCKAGCOGR-UHFFFAOYSA-N 0 0 409.446 2.872 40 0 HFABRN Cc1nc2cc(C(=O)N3CCN(CC(=O)N(C)C)CC3)ccc2n1C1CCCCC1 ZINC000019286551 558860451 /nfs/dbraw/zinc/86/04/51/558860451.db2.gz BEEVGQRXTZLZPR-UHFFFAOYSA-N 0 0 411.550 2.696 40 0 HFABRN COc1ccc2c(c1)C(=O)C[C@@H](C1CCN(C(=O)c3c(Cl)cnn3C)CC1)O2 ZINC000019288549 558861448 /nfs/dbraw/zinc/86/14/48/558861448.db2.gz KVCNFGXFJCNDBK-SFHVURJKSA-N 0 0 403.866 2.968 40 0 HFABRN C[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc2c(c1)CCC2 ZINC000053387343 558863636 /nfs/dbraw/zinc/86/36/36/558863636.db2.gz WZPMBOXNZJLJBM-INIZCTEOSA-N 0 0 414.527 2.687 40 0 HFABRN O=C(COc1ccc(F)c(Cl)c1)N1CC[C@H](c2nnc(-c3cnccn3)o2)C1 ZINC000019293124 558864699 /nfs/dbraw/zinc/86/46/99/558864699.db2.gz LXBIKYLJFOPPRC-NSHDSACASA-N 0 0 403.801 2.714 40 0 HFABRN O=C(c1cc(-c2ccncc2)c2cnccc2n1)N1CCN(C[C@H]2CCCO2)CC1 ZINC000019405593 558884884 /nfs/dbraw/zinc/88/48/84/558884884.db2.gz OFDSDXYJJYZWLC-GOSISDBHSA-N 0 0 403.486 2.629 40 0 HFABRN COc1ccc(S(=O)(=O)NCc2ccc(OC)c(OC)c2OC)cc1Cl ZINC000056105142 558884967 /nfs/dbraw/zinc/88/49/67/558884967.db2.gz BJZYYSDZUWSCES-UHFFFAOYSA-N 0 0 401.868 2.853 40 0 HFABRN CC(C)[C@@H](NC(=O)[C@H]1OCCc2ccccc21)c1cc(=O)[nH]c(-c2ccccn2)n1 ZINC000019445575 558885719 /nfs/dbraw/zinc/88/57/19/558885719.db2.gz FGFAKICJMKHSHQ-RTWAWAEBSA-N 0 0 404.470 2.959 40 0 HFABRN CC(C)[C@H](NC(=O)[C@@H]1OCCc2ccccc21)c1cc(=O)[nH]c(-c2ccccn2)n1 ZINC000019445573 558885795 /nfs/dbraw/zinc/88/57/95/558885795.db2.gz FGFAKICJMKHSHQ-LEWJYISDSA-N 0 0 404.470 2.959 40 0 HFABRN CC(C)[C@@H](NC(=O)[C@@H]1CC(=O)N(Cc2ccncc2)C1)c1ccc2c(c1)OCCO2 ZINC000019445879 558886002 /nfs/dbraw/zinc/88/60/02/558886002.db2.gz VYIGLUNZBFJPDM-XMSQKQJNSA-N 0 0 409.486 2.715 40 0 HFABRN CC(C)c1cc(C(=O)N2CCC[C@H](C3=NS(=O)(=O)c4ccccc4N3)C2)on1 ZINC000019452858 558890529 /nfs/dbraw/zinc/89/05/29/558890529.db2.gz UJHSUACEEGTMJW-ZDUSSCGKSA-N 0 0 402.476 2.863 40 0 HFABRN COc1ccc([C@@H](NC(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)c2ccccc2)cc1 ZINC000019460045 558893220 /nfs/dbraw/zinc/89/32/20/558893220.db2.gz KIFTXOSKNODVQV-NZQKXSOJSA-N 0 0 407.470 2.621 40 0 HFABRN C[C@H]1C[C@@H]1C(=O)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(Cc1ccccc1F)CC2 ZINC000019463345 558894276 /nfs/dbraw/zinc/89/42/76/558894276.db2.gz ULFOUKLGNKCACO-DKICVRJWSA-N 0 0 410.493 2.787 40 0 HFABRN C[C@@H]1C[C@H]1C(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(C(=O)C1CCCC1)CC2 ZINC000019463421 558894444 /nfs/dbraw/zinc/89/44/44/558894444.db2.gz BHADDIBQJYLPIB-IDHHARJASA-N 0 0 412.534 2.554 40 0 HFABRN C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CCC(Oc3ccccc3F)CC1)C2=O ZINC000019496093 558894991 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HFABRN CCCC(=O)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CCN(Cc2ccc(OC)cc2)C3)C1 ZINC000019501112 558899018 /nfs/dbraw/zinc/89/90/18/558899018.db2.gz JVMNHALOSCFKFM-QGZVFWFLSA-N 0 0 410.518 2.865 40 0 HFABRN CCCCn1nc(CC(=O)N2CCCN(c3ccccn3)CC2)c2ccccc2c1=O ZINC000019502394 558899876 /nfs/dbraw/zinc/89/98/76/558899876.db2.gz OPMJEUKBEUFIKS-UHFFFAOYSA-N 0 0 419.529 2.873 40 0 HFABRN CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCN3C(=O)[C@H]3CC(=O)N(C)C3)cc2N1 ZINC000019520673 558901790 /nfs/dbraw/zinc/90/17/90/558901790.db2.gz WMVZVNRMGSZCGA-MYZSUADSSA-N 0 0 413.444 2.723 40 0 HFABRN CCc1nn(C)c(C(=O)N2CCC(c3nc(-c4nccs4)cc(=O)[nH]3)CC2)c1C ZINC000019521006 558902234 /nfs/dbraw/zinc/90/22/34/558902234.db2.gz SAEWIUMCTVAYOY-UHFFFAOYSA-N 0 0 412.519 2.518 40 0 HFABRN CCc1nccn1C[C@@H](C)C(=O)N1CCN([C@@H](c2nccn2C)c2ccccc2)CC1 ZINC000019523561 558904685 /nfs/dbraw/zinc/90/46/85/558904685.db2.gz AABREMRLSFBYBA-DENIHFKCSA-N 0 0 420.561 2.749 40 0 HFABRN CCn1cc(-c2cc(C(=O)NCc3ccc(CN4CCOCC4)cc3)on2)c(C)n1 ZINC000019524724 558905840 /nfs/dbraw/zinc/90/58/40/558905840.db2.gz LGVHHHAZGXVJCF-UHFFFAOYSA-N 0 0 409.490 2.629 40 0 HFABRN CCN1C[C@H](C(=O)N2CCC[C@@H]2c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C)N3)CC1=O ZINC000019526912 558908067 /nfs/dbraw/zinc/90/80/67/558908067.db2.gz KCOYCRVHIGUBLI-QHSBEEBCSA-N 0 0 413.444 2.723 40 0 HFABRN CCNC(=O)[C@]1(Cc2ccc(-c3cccnc3)cc2)CCN(C(=O)c2cnccn2)C1 ZINC000019529097 558910637 /nfs/dbraw/zinc/91/06/37/558910637.db2.gz YQBNNCADIJHWKH-DEOSSOPVSA-N 0 0 415.497 2.750 40 0 HFABRN CCOC(=O)c1cnn2c1N[C@H]([C@@H]1CCCN(C(=O)C3CC3)C1)C[C@@H]2C(F)(F)F ZINC000019530895 558911639 /nfs/dbraw/zinc/91/16/39/558911639.db2.gz ZQTYLQZPXCHBCE-VHDGCEQUSA-N 0 0 414.428 2.996 40 0 HFABRN COc1cc2nc3n(c(=O)c2cc1OC)CCN(Cc1ccc(F)c(F)c1)CC3 ZINC000019550833 558915298 /nfs/dbraw/zinc/91/52/98/558915298.db2.gz UHHNTERIUFRXMJ-UHFFFAOYSA-N 0 0 401.413 2.750 40 0 HFABRN COc1ccc(OC)c([C@@H]2CCCN2C(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)c1 ZINC000019551267 558915402 /nfs/dbraw/zinc/91/54/02/558915402.db2.gz GPHKRKPGMTYILG-UZLBHIALSA-N 0 0 409.486 2.811 40 0 HFABRN CN(C)c1ccc(C(=O)N2[C@H](C(=O)[O-])COC23CC[NH+](Cc2ccccc2)CC3)cc1 ZINC000071980688 558917628 /nfs/dbraw/zinc/91/76/28/558917628.db2.gz MCNISYQUCHQGSJ-NRFANRHFSA-N 0 0 423.513 2.671 40 0 HFABRN COc1ccc(N2C[C@@H](C(=O)Nc3ccccc3CN3CCOCC3)CC2=O)cc1 ZINC000019556366 558918927 /nfs/dbraw/zinc/91/89/27/558918927.db2.gz SWAXMLPBVQRLHD-SFHVURJKSA-N 0 0 409.486 2.519 40 0 HFABRN Cc1nn(CC(=O)N[C@H](Cc2c[nH]c3ccccc23)c2cc(=O)[nH]c(C)n2)c(C)c1C ZINC000019556569 558919099 /nfs/dbraw/zinc/91/90/99/558919099.db2.gz ORQJEAGDOOMJEV-HXUWFJFHSA-N 0 0 418.501 2.782 40 0 HFABRN Cc1ncoc1C(=O)N1CCC(c2n[nH]cc2C(=O)N2CCc3ccccc3C2)CC1 ZINC000019559554 558920637 /nfs/dbraw/zinc/92/06/37/558920637.db2.gz OJOSFLJTDDNDPS-UHFFFAOYSA-N 0 0 419.485 2.924 40 0 HFABRN COc1ccc(C(=O)N2CCC(c3cc(=O)[nH]c(-c4ccccn4)n3)CC2)cc1OC ZINC000019559823 558920910 /nfs/dbraw/zinc/92/09/10/558920910.db2.gz KUMWRUADZPWCAM-UHFFFAOYSA-N 0 0 420.469 2.869 40 0 HFABRN COc1ccc([C@@H]2CCCN2C(=O)CN2C(=O)NC3(CCCCC3)C2=O)cc1OC ZINC000019560268 558921303 /nfs/dbraw/zinc/92/13/03/558921303.db2.gz XJLHBMSHVQEAAN-INIZCTEOSA-N 0 0 415.490 2.622 40 0 HFABRN COc1ccc(S(=O)(=O)N2CCC(c3nnc4n3CCCCC4)CC2)cc1OC ZINC000019561348 558922272 /nfs/dbraw/zinc/92/22/72/558922272.db2.gz QRSSJVSOMWMAED-UHFFFAOYSA-N 0 0 420.535 2.590 40 0 HFABRN COc1ccc(-c2nnc3n2[C@@H]2CCCC[C@H]2N(C(=O)c2cc[nH]n2)C3)cc1OC ZINC000019561673 558922370 /nfs/dbraw/zinc/92/23/70/558922370.db2.gz KUUPYGWLIHXVHR-HZPDHXFCSA-N 0 0 408.462 2.825 40 0 HFABRN Cc1noc2nc(C3CCN(C(=O)[C@@H]4CC(=O)N(C)C4)CC3)cc(C(F)(F)F)c12 ZINC000019564509 558924728 /nfs/dbraw/zinc/92/47/28/558924728.db2.gz VTLMKTFDKWEHFK-GFCCVEGCSA-N 0 0 410.396 2.734 40 0 HFABRN COc1cccc([C@H](NC(=O)Cn2c(=O)cc(C)c3ccccc32)c2nccn2C)c1 ZINC000019566501 558926109 /nfs/dbraw/zinc/92/61/09/558926109.db2.gz OGTAFFRIQAIMMO-QHCPKHFHSA-N 0 0 416.481 2.958 40 0 HFABRN COc1cc(NC(=O)[C@@H](C)n2nc(-c3cc(C)oc3C)cc(N)c2=O)cc(OC)c1 ZINC000019567731 558927033 /nfs/dbraw/zinc/92/70/33/558927033.db2.gz LWMBKOLRLLJQSQ-GFCCVEGCSA-N 0 0 412.446 2.919 40 0 HFABRN COc1ccccc1-c1ccc(C[C@@]2(C(N)=O)CCN(C(=O)[C@@H]3CCCO3)C2)cc1 ZINC000019571591 558930077 /nfs/dbraw/zinc/93/00/77/558930077.db2.gz UZOXEUPTYBKKKC-URXFXBBRSA-N 0 0 408.498 2.788 40 0 HFABRN C[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCN(S(=O)(=O)c4cccnc4)C3)cc2N1 ZINC000019574980 558932616 /nfs/dbraw/zinc/93/26/16/558932616.db2.gz FXVAYTBZQYRREB-LALPHHSUSA-N 0 0 415.441 2.764 40 0 HFABRN Cc1nn(C)c(C)c1CCC(=O)N[C@H]1C[C@@]2(CCC(=O)N(C)CC2)Oc2ccccc21 ZINC000019577689 558933469 /nfs/dbraw/zinc/93/34/69/558933469.db2.gz GQKMOBDJVLPUFW-RDPSFJRHSA-N 0 0 424.545 2.991 40 0 HFABRN Cc1nc2c(c(=O)[nH]1)CC[C@@H]1CN(C(=O)c3cncn3[C@@H](C)c3ccccc3)C[C@H]21 ZINC000072336094 558937236 /nfs/dbraw/zinc/93/72/36/558937236.db2.gz LEPHOEDKBTXFEN-YJLNNSPDSA-N 0 0 403.486 2.686 40 0 HFABRN Cc1nn(C(F)F)cc1S(=O)(=O)NCc1cccc(OC[C@@H]2CCCO2)c1 ZINC000019583389 558937751 /nfs/dbraw/zinc/93/77/51/558937751.db2.gz IDDXXBOCUQFYOP-HNNXBMFYSA-N 0 0 401.435 2.623 40 0 HFABRN COc1ccccc1OC[C@@H](O)CNc1c(C)c(C)nc2cc(-c3nccn3C)nn21 ZINC000072338523 558938272 /nfs/dbraw/zinc/93/82/72/558938272.db2.gz RGAZYTYYRLWDPU-INIZCTEOSA-N 0 0 422.489 2.607 40 0 HFABRN COc1ccc(-c2ccc(C[C@@H]3CN(C(=O)c4cc[nH]n4)CCN(C)C3=O)cc2)cc1 ZINC000019589386 558940172 /nfs/dbraw/zinc/94/01/72/558940172.db2.gz DHUOVSNRPPERFB-HXUWFJFHSA-N 0 0 418.497 2.858 40 0 HFABRN CNC(=O)[C@@]1(Cc2cccc(-c3cccnc3)c2)CCCN(C(=O)c2cnccn2)C1 ZINC000019591252 558941461 /nfs/dbraw/zinc/94/14/61/558941461.db2.gz KZRRVQGKVCNVHF-XMMPIXPASA-N 0 0 415.497 2.750 40 0 HFABRN COCCC(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CCN(Cc1cccs1)C2 ZINC000019593164 558944003 /nfs/dbraw/zinc/94/40/03/558944003.db2.gz BIAOFGBEFLGQGR-GOSISDBHSA-N 0 0 416.547 2.892 40 0 HFABRN CCc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCC[C@H](C)C4)[nH]c(=O)c32)cc1 ZINC000040388774 558945550 /nfs/dbraw/zinc/94/55/50/558945550.db2.gz LXSBBLMXCSPXRK-XJKSGUPXSA-N 0 0 409.490 2.633 40 0 HFABRN Cc1cccc([C@@H](O)[C@@](Br)(I)S(C)(=O)=O)c1 ZINC000096521039 558964338 /nfs/dbraw/zinc/96/43/38/558964338.db2.gz CZCNSYDGSKNNCM-NXEZZACHSA-N 0 0 419.078 2.557 40 0 HFABRN Cc1nc(Cn2c(C)nc3ccccc3c2=O)cc(NCc2ccc(CO)cc2)n1 ZINC000019655547 558948867 /nfs/dbraw/zinc/94/88/67/558948867.db2.gz VQAHWPIPLGLIQJ-UHFFFAOYSA-N 0 0 401.470 2.956 40 0 HFABRN CC(C)CNC(=O)c1cc([C@@H]2CN(C(=O)c3cnn(C)c3)CCO2)nc2ccccc21 ZINC000072352682 558949223 /nfs/dbraw/zinc/94/92/23/558949223.db2.gz DIHJDQSQFZMAKS-NRFANRHFSA-N 0 0 421.501 2.568 40 0 HFABRN CC(=O)NC1(c2ccccc2)CCN(CC(=O)Nc2ccc(-n3ccnc3)cc2)CC1 ZINC000019657978 558949799 /nfs/dbraw/zinc/94/97/99/558949799.db2.gz NSDXBARWMWAVHZ-UHFFFAOYSA-N 0 0 417.513 2.938 40 0 HFABRN NC(=O)c1cccc(-c2cnc(N)nc2[C@@H]2CCCN2C(=O)Cc2ccccc2)c1 ZINC000072354693 558951970 /nfs/dbraw/zinc/95/19/70/558951970.db2.gz IEFXXOYHUMRRIC-IBGZPJMESA-N 0 0 401.470 2.731 40 0 HFABRN Cc1ccccc1N1C[C@@H](C(=O)NCc2ccc(CN3CCCC3=O)cc2)CC1=O ZINC000019661574 558952702 /nfs/dbraw/zinc/95/27/02/558952702.db2.gz ZGNBDEBCKBLZEB-FQEVSTJZSA-N 0 0 405.498 2.787 40 0 HFABRN CC(=O)Nc1ccc(C(=O)N2CCC[C@H](c3ncncc3-c3noc(C)n3)C2)cc1 ZINC000072356192 558953142 /nfs/dbraw/zinc/95/31/42/558953142.db2.gz MEOMBKRZANSZQV-INIZCTEOSA-N 0 0 406.446 2.813 40 0 HFABRN O=C(NC[C@@H](c1cccnc1)N1CCOCC1)c1cnc(-c2ccc(Cl)cc2)nc1 ZINC000019662134 558953229 /nfs/dbraw/zinc/95/32/29/558953229.db2.gz MVMXGSIZRHHQML-FQEVSTJZSA-N 0 0 423.904 2.995 40 0 HFABRN COc1ccc(N2C[C@@H](NC(=O)C3(c4ccccc4F)CCOCC3)CC2=O)cc1 ZINC000019662256 558953249 /nfs/dbraw/zinc/95/32/49/558953249.db2.gz AJCWJJFZCPYBEC-INIZCTEOSA-N 0 0 412.461 2.804 40 0 HFABRN Cc1nc(N2CCCCC2)ncc1C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1 ZINC000019663455 558954272 /nfs/dbraw/zinc/95/42/72/558954272.db2.gz KXIVOXMJPSPWHA-UHFFFAOYSA-N 0 0 415.519 2.568 40 0 HFABRN COCCOc1cccc(CN2CCO[C@@H](c3ncncc3-c3ccnc(N)c3)C2)c1 ZINC000072370870 558957445 /nfs/dbraw/zinc/95/74/45/558957445.db2.gz NEEYBWDTOMJUTR-OAQYLSRUSA-N 0 0 421.501 2.720 40 0 HFABRN CN(C)c1ncc(-c2ccccc2)c([C@@H]2CCCN2S(=O)(=O)N2CCCC2)n1 ZINC000019689595 558959204 /nfs/dbraw/zinc/95/92/04/558959204.db2.gz UMHQKTXMQIBOMZ-SFHVURJKSA-N 0 0 401.536 2.687 40 0 HFABRN CC(=O)NCC(=O)N1CCC[C@H]1c1nc(C)c2c(n1)N(CC1CCCCC1)CCC2 ZINC000072372932 558960684 /nfs/dbraw/zinc/96/06/84/558960684.db2.gz FQBRTJDLINYRTC-FQEVSTJZSA-N 0 0 413.566 2.918 40 0 HFABRN CS(=O)(=O)[C@@](Br)(I)C(=O)c1ccc(F)cc1 ZINC000096518520 558963360 /nfs/dbraw/zinc/96/33/60/558963360.db2.gz BNIKHQXFODGXFY-VIFPVBQESA-N 0 0 421.025 2.537 40 0 HFABRN Cc1cc(C)nc(Nc2cccc([C@@H]3CCCN3C(=O)c3ccc(=O)n(C)c3)n2)n1 ZINC000072375479 558964029 /nfs/dbraw/zinc/96/40/29/558964029.db2.gz HBOJUIDGMFMCBO-SFHVURJKSA-N 0 0 404.474 2.908 40 0 HFABRN CCOc1ccccc1CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000064762510 558965381 /nfs/dbraw/zinc/96/53/81/558965381.db2.gz WBEBEOXIWYZCQH-QGZVFWFLSA-N 0 0 420.506 2.942 40 0 HFABRN CNC(=O)c1sc2ccccc2c1[C@@H]1CN(S(=O)(=O)C2CCCC2)CCO1 ZINC000019697547 558965382 /nfs/dbraw/zinc/96/53/82/558965382.db2.gz PRRGBLKLKOJNSR-HNNXBMFYSA-N 0 0 408.545 2.907 40 0 HFABRN O=C(c1sc2ccccc2c1[C@H]1CN(c2ncccn2)CCO1)N1CCOCC1 ZINC000019697743 558965557 /nfs/dbraw/zinc/96/55/57/558965557.db2.gz RZKSKWAHDJFXQZ-MRXNPFEDSA-N 0 0 410.499 2.742 40 0 HFABRN CNC(=O)c1[nH]c([C@@H]2CCCN(C(=O)C(C)(C)OC)C2)nc1-c1ccc(OC)cc1 ZINC000019698974 558966371 /nfs/dbraw/zinc/96/63/71/558966371.db2.gz QFXJKNASCQKMCY-OAHLLOKOSA-N 0 0 414.506 2.576 40 0 HFABRN O=S(=O)(c1ccc(F)cc1)N1CCC[C@H]1c1ccnc(Nc2cnccn2)n1 ZINC000072377724 558966962 /nfs/dbraw/zinc/96/69/62/558966962.db2.gz UFDUATWXAYJHPV-INIZCTEOSA-N 0 0 400.439 2.675 40 0 HFABRN Cc1cnc2c(C(=O)N3CCC[C@@H](c4ccc(C(=O)NCC5CC5)cn4)C3)cnn2c1 ZINC000019705588 558967944 /nfs/dbraw/zinc/96/79/44/558967944.db2.gz GSUGBIJZUGRDRG-GOSISDBHSA-N 0 0 418.501 2.592 40 0 HFABRN CC(C)c1nccn1-c1cccc([C@@H]2CCCN(S(=O)(=O)c3cn(C)cn3)C2)n1 ZINC000072379244 558968049 /nfs/dbraw/zinc/96/80/49/558968049.db2.gz QLYUJVBLHHQMRZ-MRXNPFEDSA-N 0 0 414.535 2.693 40 0 HFABRN Cn1cc(C[NH+]2CCC(C[C@H]3CC(c4ccc(F)cc4)=NO3)(C(=O)[O-])CC2)cn1 ZINC000072389701 558970157 /nfs/dbraw/zinc/97/01/57/558970157.db2.gz KNVLLNPPCMAENS-GOSISDBHSA-N 0 0 400.454 2.809 40 0 HFABRN Cn1cc(C[NH+]2CCC(C[C@@H]3CC(c4ccc(F)cc4)=NO3)(C(=O)[O-])CC2)cn1 ZINC000072389700 558970180 /nfs/dbraw/zinc/97/01/80/558970180.db2.gz KNVLLNPPCMAENS-SFHVURJKSA-N 0 0 400.454 2.809 40 0 HFABRN CN1CCN(C(=O)c2ccc([C@H]3CCCN3C(=O)CCc3ccc(F)cc3)nc2)CC1 ZINC000019708771 558971177 /nfs/dbraw/zinc/97/11/77/558971177.db2.gz KTHFDXMRAZKCBX-JOCHJYFZSA-N 0 0 424.520 2.905 40 0 HFABRN CNc1nc([C@@H]2CCCN2S(=O)(=O)c2ccccc2Cl)nc2c1CN(C)CC2 ZINC000019710888 558973149 /nfs/dbraw/zinc/97/31/49/558973149.db2.gz PCQJHUFZVLZXSN-INIZCTEOSA-N 0 0 421.954 2.685 40 0 HFABRN CC1CCC2(CC1)NC(=O)N(CC(=O)NCC1(c3ccccc3Cl)CC1)C2=O ZINC000019715421 558976321 /nfs/dbraw/zinc/97/63/21/558976321.db2.gz DJIZHIPPYHQZCZ-UHFFFAOYSA-N 0 0 403.910 2.989 40 0 HFABRN COc1ccc(CN2CCc3c(=O)[nH]c([C@H]4CCN(C(=O)[C@H]5C[C@H]5C)C4)nc3C2)cc1 ZINC000072399131 558976669 /nfs/dbraw/zinc/97/66/69/558976669.db2.gz NXFGXNINQRZKCK-SYNHAJSKSA-N 0 0 422.529 2.721 40 0 HFABRN Cc1nnnn1-c1cccc(NC(=O)[C@H](c2ccc(Cl)cc2)N2CCOCC2)c1 ZINC000019716647 558978707 /nfs/dbraw/zinc/97/87/07/558978707.db2.gz RWNFFDWTRHOXTR-IBGZPJMESA-N 0 0 412.881 2.636 40 0 HFABRN C[C@@H](c1cc(=O)[nH]c(NCCN(C)c2ccccc2)n1)n1ncc2ccccc2c1=O ZINC000019717487 558980130 /nfs/dbraw/zinc/98/01/30/558980130.db2.gz UCUGXHHMMOOXLB-INIZCTEOSA-N 0 0 416.485 2.637 40 0 HFABRN COc1nn(Cc2cc(=O)[nH]c(N[C@H](C)c3ccccc3)n2)c(=O)c2ccccc21 ZINC000019717559 558980283 /nfs/dbraw/zinc/98/02/83/558980283.db2.gz LQADBSHQIBBINK-CQSZACIVSA-N 0 0 403.442 2.710 40 0 HFABRN Cc1ncc(C(=O)N(C)C)c([C@H]2CC[C@H](CNC(=O)c3ccc4c(c3)OCO4)CC2)n1 ZINC000257238393 558992493 /nfs/dbraw/zinc/99/24/93/558992493.db2.gz HKTZZGIXTAQCGP-WKILWMFISA-N 0 0 424.501 2.919 40 0 HFABRN Cc1cc(-c2cnc(N(C)C)nc2[C@H]2CC[C@H](CNC(=O)[C@@H]3CCOC3)CC2)on1 ZINC000257296044 559009034 /nfs/dbraw/zinc/00/90/34/559009034.db2.gz RAYXCQOANUMRBU-BRWVUGGUSA-N 0 0 413.522 2.933 40 0 HFABRN Cc1ccc([C@@H]2CN(CC(=O)N3C[C@H](C)O[C@@H](C)C3)C[C@H]2c2csnn2)cc1 ZINC000257328494 559012462 /nfs/dbraw/zinc/01/24/62/559012462.db2.gz XFWBVZLYKTZAPZ-PBWTXFEYSA-N 0 0 400.548 2.665 40 0 HFABRN Cn1cc(C(=O)N2Cc3ccnn3[C@H](CC(=O)NCc3ccco3)C2)c2ccccc21 ZINC000585095943 559023323 /nfs/dbraw/zinc/02/33/23/559023323.db2.gz UPCOGURWQCIMMD-QGZVFWFLSA-N 0 0 417.469 2.871 40 0 HFABRN CC[C@@H]1N(C(=O)CCc2cncnc2)CCC[C@]12CCC(=O)N2Cc1ccncc1 ZINC000585103902 559025872 /nfs/dbraw/zinc/02/58/72/559025872.db2.gz GVYVNHPYODDOQV-REWPJTCUSA-N 0 0 407.518 2.767 40 0 HFABRN O=C(NC1CCCC1)c1nnc2n1CC[C@@]1(CCN(C(=O)c3ccccc3)C1)CC2 ZINC000585107434 559027943 /nfs/dbraw/zinc/02/79/43/559027943.db2.gz VTYGJUMWLIWESZ-QHCPKHFHSA-N 0 0 407.518 2.819 40 0 HFABRN Cc1noc(C)c1C(=O)N1C[C@@]2(C[C@H]1c1cn(C)cn1)CCCN(CC1CC1)C2=O ZINC000585106462 559028782 /nfs/dbraw/zinc/02/87/82/559028782.db2.gz OAUOKMPNUZDLMR-AVRDEDQJSA-N 0 0 411.506 2.631 40 0 HFABRN Cc1noc(C)c1C(=O)N1C[C@]2(C[C@H]1c1cn(C)cn1)CCCN(CC1CC1)C2=O ZINC000585106464 559028816 /nfs/dbraw/zinc/02/88/16/559028816.db2.gz OAUOKMPNUZDLMR-PGRDOPGGSA-N 0 0 411.506 2.631 40 0 HFABRN O=C(c1ccnc(F)c1)N1CCO[C@@H](c2nc3ccc(-c4cccnc4)cn3n2)C1 ZINC000585113242 559031096 /nfs/dbraw/zinc/03/10/96/559031096.db2.gz RVBGKRIALOEQGF-QGZVFWFLSA-N 0 0 404.405 2.539 40 0 HFABRN O=C(Cc1cccc(F)c1)N1CCc2ccc(C(=O)NCc3cccnc3)n2CC1 ZINC000585110936 559031493 /nfs/dbraw/zinc/03/14/93/559031493.db2.gz ASIPSJUNUIZXAX-UHFFFAOYSA-N 0 0 406.461 2.580 40 0 HFABRN CN1CC(=O)N(c2cccnc2)C[C@]12CCN(C(=O)c1ccc3ccccc3c1)C2 ZINC000096050336 559092160 /nfs/dbraw/zinc/09/21/60/559092160.db2.gz VGWPNAGMIKNCQB-XMMPIXPASA-N 0 0 400.482 2.798 40 0 HFABRN CC(=O)N1CC(=O)N(c2ccsc2)C[C@]12CCN(C(=O)c1ccc(Cl)cc1)C2 ZINC000096050492 559092194 /nfs/dbraw/zinc/09/21/94/559092194.db2.gz ZXKGCQVQBRCTCC-HXUWFJFHSA-N 0 0 417.918 2.882 40 0 HFABRN CC(C)C(=O)N1CCN(C(=O)Nc2ccc(Cl)cc2)C[C@]2(CC(=O)N(C)C2)C1 ZINC000096143412 559095914 /nfs/dbraw/zinc/09/59/14/559095914.db2.gz QPAIDQXQMRGPSK-FQEVSTJZSA-N 0 0 406.914 2.521 40 0 HFABRN O=C(Nc1ccccc1)N1CC[C@@H]2CN(Cc3cccnc3)S(=O)(=O)[C@@H]2CC1 ZINC000096145462 559097321 /nfs/dbraw/zinc/09/73/21/559097321.db2.gz KPRFWXDWKSJXEY-IEBWSBKVSA-N 0 0 400.504 2.540 40 0 HFABRN COc1cccc(NC(=O)N2CC[C@@H]3CN(CCC(C)C)S(=O)(=O)[C@@H]3CC2)c1 ZINC000096145566 559097404 /nfs/dbraw/zinc/09/74/04/559097404.db2.gz LGDIJIPVNOVOSS-VQIMIIECSA-N 0 0 409.552 2.999 40 0 HFABRN Cn1cc(-c2ccc3ccc(-n4ccc(C(=O)NCCc5cccnc5)n4)n3c2)cn1 ZINC000096155381 559099543 /nfs/dbraw/zinc/09/95/43/559099543.db2.gz LFSCNUYDBIPVKJ-UHFFFAOYSA-N 0 0 411.469 2.893 40 0 HFABRN Cc1ccc(NC(=O)N2CCC[C@@]3(CC(C(=O)NCc4cccnc4)=NO3)C2)cc1 ZINC000096225109 559102250 /nfs/dbraw/zinc/10/22/50/559102250.db2.gz VRLHXDUTZLZAOM-JOCHJYFZSA-N 0 0 407.474 2.849 40 0 HFABRN Cc1ccc(NC(=O)N2CCC[C@]3(CC(C(=O)NCc4ccncc4)=NO3)C2)cc1 ZINC000096225326 559102401 /nfs/dbraw/zinc/10/24/01/559102401.db2.gz MMWKLDVKRYVOFC-QFIPXVFZSA-N 0 0 407.474 2.849 40 0 HFABRN CN1CC(=O)N(c2cccc(F)c2)C[C@@]12CCN(C(=O)c1ccc3ccccc3n1)C2 ZINC000096237944 559103212 /nfs/dbraw/zinc/10/32/12/559103212.db2.gz WBRLNZQJXONNPB-DEOSSOPVSA-N 0 0 418.472 2.937 40 0 HFABRN O=C(Cc1cccs1)N1C[C@@H](C(=O)NCc2cccs2)C2(C1)CCOCC2 ZINC000096241158 559103682 /nfs/dbraw/zinc/10/36/82/559103682.db2.gz LGYZXBNDHWSNJS-KRWDZBQOSA-N 0 0 404.557 2.924 40 0 HFABRN CCCCS(=O)(=O)N1CCC2(CC1)C[C@H](CC(=O)N(C)C)c1ccccc1O2 ZINC000096242949 559104306 /nfs/dbraw/zinc/10/43/06/559104306.db2.gz AEIOEAGVVIOANQ-KRWDZBQOSA-N 0 0 408.564 2.996 40 0 HFABRN CCN(CC)C(=O)C[C@@H]1CC2(CCN(S(=O)(=O)CC)CC2)Oc2ccccc21 ZINC000096243283 559104676 /nfs/dbraw/zinc/10/46/76/559104676.db2.gz BYDSJIKRZRJBQZ-QGZVFWFLSA-N 0 0 408.564 2.996 40 0 HFABRN O=C(c1ccc2[nH]ccc2c1)N1CCc2nc(N3CCOCC3)nc(NC3CC3)c2C1 ZINC000096254148 559105728 /nfs/dbraw/zinc/10/57/28/559105728.db2.gz ITGDFQGTWLAKAT-UHFFFAOYSA-N 0 0 418.501 2.567 40 0 HFABRN COc1cccc(CNC(=O)[C@H]2C[C@]3(CO2)CN(C(=O)N(C)C)c2ccccc23)c1 ZINC000096262906 559106920 /nfs/dbraw/zinc/10/69/20/559106920.db2.gz GCKIZCKQKHXQLT-NFBKMPQASA-N 0 0 409.486 2.540 40 0 HFABRN Cc1nc2nnc3ccc(C(=O)NCc4ccccn4)cc3c2n1C[C@H]1CCCO1 ZINC000096264322 559107459 /nfs/dbraw/zinc/10/74/59/559107459.db2.gz DHQJVLUXQOAELI-QGZVFWFLSA-N 0 0 402.458 2.792 40 0 HFABRN CNC(=O)c1cccc([C@H]2CN(C(=O)C3(c4ccccc4)CCOCC3)CCN2C)c1 ZINC000585261935 559109513 /nfs/dbraw/zinc/10/95/13/559109513.db2.gz ZUGDENOWOGOZDN-JOCHJYFZSA-N 0 0 421.541 2.610 40 0 HFABRN Cc1cccc(C)c1C(=O)N1CCO[C@](COc2ccc(F)cc2)(CC(N)=O)C1 ZINC000585282824 559120332 /nfs/dbraw/zinc/12/03/32/559120332.db2.gz IHBKKUZOYKNZCE-JOCHJYFZSA-N 0 0 400.450 2.608 40 0 HFABRN Cc1cc(OC[C@@]2(CC(N)=O)CN(C(=O)c3cccnc3C)CCO2)ccc1Cl ZINC000585286827 559122059 /nfs/dbraw/zinc/12/20/59/559122059.db2.gz RAWJTRHZWAXKFI-OAQYLSRUSA-N 0 0 417.893 2.517 40 0 HFABRN COCCC(=O)N1CCC[C@@H]1c1cc2nc(C3CC[NH+](C(C)C)CC3)cc(=O)n2[n-]1 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ZINC000008117238 559274932 /nfs/dbraw/zinc/27/49/32/559274932.db2.gz DJPXQFXWYQNWSA-UHFFFAOYSA-N 0 0 403.287 2.597 40 0 HFABRN CC1(C)CC2(CN1S(C)(=O)=O)CCN(CC(=O)Nc1ccc(Cl)cc1)CC2 ZINC000257208004 559282603 /nfs/dbraw/zinc/28/26/03/559282603.db2.gz BKGQJHYTVHOBBM-UHFFFAOYSA-N 0 0 413.971 2.805 40 0 HFABRN COc1cccc(-c2ccc3c(c2)O[C@H]2CN(Cc4cnn(C)c4)C[C@H]2N(C)C3=O)c1 ZINC000514288992 560033483 /nfs/dbraw/zinc/03/34/83/560033483.db2.gz DUDWDQWWJIWECE-GGAORHGYSA-N 0 0 418.497 2.813 40 0 biogenic,in-vitro HFABRN CCn1c(COc2ccccc2OC)nnc1SCC(=O)NCc1ccco1 ZINC000000908172 560545885 /nfs/dbraw/zinc/54/58/85/560545885.db2.gz VGJXFASMNRLMIU-UHFFFAOYSA-N 0 0 402.476 2.887 40 0 HFABRN Cc1ccc(S(=O)(=O)N2CC3(C2)C[C@@H](COCc2ccccn2)CCN3C)cc1 ZINC000575404180 560547108 /nfs/dbraw/zinc/54/71/08/560547108.db2.gz QIPWNCXSZWLFOS-IBGZPJMESA-N 0 0 415.559 2.692 40 0 HFABRN O=C(CSc1nnc(-c2ccncc2)n1C[C@@H]1CCCO1)NCc1ccccc1 ZINC000000915238 560547666 /nfs/dbraw/zinc/54/76/66/560547666.db2.gz 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O=C(Cn1cnc2c(cnn2-c2ccccc2Cl)c1=O)NCCc1ccccc1 ZINC000001330961 560574334 /nfs/dbraw/zinc/57/43/34/560574334.db2.gz LSXSCGPBMSLTLL-UHFFFAOYSA-N 0 0 407.861 2.595 40 0 HFABRN O=C(Cn1nnc(-c2cccc(NC(=O)C3CCC3)c2)n1)N1CCc2ccccc2C1 ZINC000001339788 560575276 /nfs/dbraw/zinc/57/52/76/560575276.db2.gz SRMWEUNAYFMALZ-UHFFFAOYSA-N 0 0 416.485 2.664 40 0 aggregator HFABRN CC(=O)c1cccc(NC(=O)N2CCC[C@H]2C(=O)NCc2ccc3c(c2)OCO3)c1 ZINC000001343550 560576159 /nfs/dbraw/zinc/57/61/59/560576159.db2.gz LWAGOZSFMIUIJH-SFHVURJKSA-N 0 0 409.442 2.931 40 0 HFABRN Cc1cccc(C)c1NC(=O)N1CCC[C@H]1C(=O)Nc1ccc(-n2cnnn2)cc1 ZINC000001343722 560576182 /nfs/dbraw/zinc/57/61/82/560576182.db2.gz KCEHWBHRVGDWBM-SFHVURJKSA-N 0 0 405.462 2.914 40 0 HFABRN COc1cc2nc(C3CCC3)n(NC(=O)COc3ccccc3)c(=O)c2cc1OC ZINC000001365187 560580019 /nfs/dbraw/zinc/58/00/19/560580019.db2.gz DRXGFGKJIBHBHW-UHFFFAOYSA-N 0 0 409.442 2.830 40 0 HFABRN C[C@@H]1CCC[C@H](C)N1S(=O)(=O)c1ccc(S(=O)(=O)NC2CCCC2)cc1 ZINC000001368285 560580993 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HFABRN CCc1nnc(NC(=O)CSc2nnc(CSc3nc(C)cc(C)n3)o2)s1 ZINC000004410010 560606754 /nfs/dbraw/zinc/60/67/54/560606754.db2.gz LWMDZFSUPBOYMA-UHFFFAOYSA-N 0 0 423.549 2.913 40 0 HFABRN COCCN(C(=O)Cc1cccs1)[C@@H](C(=O)NC1CCCC1)c1ccncc1 ZINC000004847973 560609478 /nfs/dbraw/zinc/60/94/78/560609478.db2.gz GOILXPMOJPXNHL-HXUWFJFHSA-N 0 0 401.532 2.961 40 0 HFABRN O=C(CCC(=O)N(CC(=O)NC1CCCC1)Cc1ccco1)Nc1nccs1 ZINC000004848319 560609971 /nfs/dbraw/zinc/60/99/71/560609971.db2.gz IWIXWVUBGBXILR-UHFFFAOYSA-N 0 0 404.492 2.542 40 0 HFABRN CC(C)CCNC(=O)CN(Cc1ccco1)C(=O)CCC(=O)Nc1nccs1 ZINC000004848401 560610140 /nfs/dbraw/zinc/61/01/40/560610140.db2.gz DXGBLUDQZJCSCZ-UHFFFAOYSA-N 0 0 406.508 2.646 40 0 HFABRN Cc1ccc(C)c(Cn2nnc3c2nc([C@H]2CCCN(C(=O)CC(C)C)C2)[nH]c3=O)c1 ZINC000004861926 560614045 /nfs/dbraw/zinc/61/40/45/560614045.db2.gz MDQZZEVSOJIZCK-KRWDZBQOSA-N 0 0 422.533 2.932 40 0 HFABRN CCn1c(Cc2csc(Nc3ccc(OC)cc3)n2)nnc1SCC(N)=O ZINC000004930813 560618967 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GWXOVYFOVAURDP-UHFFFAOYSA-N 0 0 412.469 2.866 40 0 HFABRN Cc1ccc(NC(=O)Cn2c3ccsc3c(=O)n(Cc3ccco3)c2=O)cc1F ZINC000006678759 560633090 /nfs/dbraw/zinc/63/30/90/560633090.db2.gz IFGPOOSAEZGAGB-UHFFFAOYSA-N 0 0 413.430 2.952 40 0 HFABRN CCn1c(=O)c2sccc2n(CC(=O)N2CCC(Cc3ccccc3)CC2)c1=O ZINC000006679003 560633135 /nfs/dbraw/zinc/63/31/35/560633135.db2.gz WMEKRXASONFBAL-UHFFFAOYSA-N 0 0 411.527 2.726 40 0 HFABRN COC(=O)c1ccc(C)c(NC(=O)CN(c2cccc(C)c2C)S(C)(=O)=O)c1 ZINC000408921159 560654407 /nfs/dbraw/zinc/65/44/07/560654407.db2.gz TVMBKADKJPGQSX-UHFFFAOYSA-N 0 0 404.488 2.803 40 0 HFABRN CCOC(=O)Cn1cc(/C=C2/SC(=O)N(CC(=O)OCC)C2=O)c2ccccc21 ZINC000409041932 560669050 /nfs/dbraw/zinc/66/90/50/560669050.db2.gz LCULFYZDIJMFFZ-CXUHLZMHSA-N 0 0 416.455 2.804 40 0 HFABRN COC(=O)CN1C(=S)N(c2ccc(OC)cc2)C(=O)/C1=C/c1ccc(F)cc1 ZINC000409052775 560669521 /nfs/dbraw/zinc/66/95/21/560669521.db2.gz ICNDRNQOOMPDFG-BOPFTXTBSA-N 0 0 400.431 2.982 40 0 HFABRN COc1ccc(S(=O)(=O)NCC(=O)Nc2ccccc2C(F)(F)F)cc1OC 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CC[C@H](C(=O)NCCCc1cccc(OC)c1)N(c1ccccc1)S(C)(=O)=O ZINC000219080823 568486486 /nfs/dbraw/zinc/48/64/86/568486486.db2.gz CJGLOECKCLELHD-HXUWFJFHSA-N 0 0 404.532 2.989 40 0 HFABRN CC[C@H](C(=O)NCCCc1ccccc1OC)N(c1ccccc1)S(C)(=O)=O ZINC000219080651 568486487 /nfs/dbraw/zinc/48/64/87/568486487.db2.gz NCJFFZUCXUEOSW-LJQANCHMSA-N 0 0 404.532 2.989 40 0 HFABRN CC(C)(C)CC(=O)N[C@H]1[C@H](c2cccs2)N(C(=O)N2CCOCC2)CC[C@@]1(C)O ZINC000604383146 568489701 /nfs/dbraw/zinc/48/97/01/568489701.db2.gz PUORSTHUDOCGHR-BBTUJRGHSA-N 0 0 423.579 2.619 40 0 biogenic,in-vitro HFABRN COC(=O)c1ccc(N2CCOCC2)c(NC(=S)NC(=O)c2cccc(C)c2)c1 ZINC000057327634 568491180 /nfs/dbraw/zinc/49/11/80/568491180.db2.gz HPAZVXSTEUIECH-UHFFFAOYSA-N 0 0 413.499 2.745 40 0 HFABRN Cc1ccc(O[C@@H](C)C(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)c(C)c1 ZINC000219524966 568493910 /nfs/dbraw/zinc/49/39/10/568493910.db2.gz SXARJHFNULCBHD-INIZCTEOSA-N 0 0 402.516 2.910 40 0 HFABRN CC[C@@H](c1nnnn1C(C)(C)C)N(CCCO)Cc1cc2cc(C)ccc2[nH]c1=O 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568507499 /nfs/dbraw/zinc/50/74/99/568507499.db2.gz RNFPXJKBQRUVEG-SFHVURJKSA-N 0 0 420.487 2.665 40 0 HFABRN CC[C@@H](C(=O)Nc1ccc(C(=O)OC)cc1)N(c1ccc(OC)cc1)S(C)(=O)=O ZINC000220640011 568507805 /nfs/dbraw/zinc/50/78/05/568507805.db2.gz CNSZMTFNLGSYSE-SFHVURJKSA-N 0 0 420.487 2.665 40 0 HFABRN CC[C@@H](C(=O)NCc1ccc(OC)cc1)N(c1ccc(OC)cc1)S(C)(=O)=O ZINC000220642347 568507810 /nfs/dbraw/zinc/50/78/10/568507810.db2.gz YZBOQHKGOODUGL-IBGZPJMESA-N 0 0 406.504 2.565 40 0 HFABRN Cc1ccc(-c2noc(CNC(=O)c3cccc(N(C)S(C)(=O)=O)c3C)n2)cc1 ZINC000222444213 568515894 /nfs/dbraw/zinc/51/58/94/568515894.db2.gz LCKKWLMCXUQWTB-UHFFFAOYSA-N 0 0 414.487 2.679 40 0 HFABRN Cc1c(C(=O)N(C)Cc2nc(-c3cccs3)no2)cccc1N(C)S(C)(=O)=O ZINC000222445342 568515909 /nfs/dbraw/zinc/51/59/09/568515909.db2.gz QLNMTYLNHWNCMZ-UHFFFAOYSA-N 0 0 420.516 2.775 40 0 HFABRN Cc1ccc(-c2noc(CNC(=O)c3ccc(C)c(N(C)S(C)(=O)=O)c3)n2)cc1 ZINC000222465680 568516247 /nfs/dbraw/zinc/51/62/47/568516247.db2.gz SRCVAMQNSUNIDB-UHFFFAOYSA-N 0 0 414.487 2.679 40 0 HFABRN COC(=O)c1cn(C(=O)CN(c2ccccc2F)S(C)(=O)=O)c2ccccc12 ZINC000222582486 568519212 /nfs/dbraw/zinc/51/92/12/568519212.db2.gz XEZRURBHPSEEII-UHFFFAOYSA-N 0 0 404.419 2.673 40 0 HFABRN COc1ccc(CN(C)C(=O)CCCN(c2cccc(OC)c2)S(C)(=O)=O)cc1 ZINC000222586696 568519423 /nfs/dbraw/zinc/51/94/23/568519423.db2.gz QWMFKZIKWBZYTL-UHFFFAOYSA-N 0 0 420.531 2.909 40 0 HFABRN O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(N2CCCCS2(=O)=O)cc1 ZINC000222589745 568519560 /nfs/dbraw/zinc/51/95/60/568519560.db2.gz QJAODIICWCUUCW-UHFFFAOYSA-N 0 0 413.499 2.996 40 0 HFABRN CCS(=O)(=O)N1CCC(C(=O)Nc2ccccc2C(=O)NC2CCCCC2)CC1 ZINC000222620701 568521027 /nfs/dbraw/zinc/52/10/27/568521027.db2.gz IMNLUUAMZVOSRX-UHFFFAOYSA-N 0 0 421.563 2.749 40 0 HFABRN Cc1ccc(N([C@@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1 ZINC000222679067 568523467 /nfs/dbraw/zinc/52/34/67/568523467.db2.gz WEJPZIHYEUVNHD-HOTGVXAUSA-N 0 0 418.515 2.798 40 0 HFABRN C[C@H](NC(=O)CCCN(C)S(=O)(=O)c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000222720983 568524741 /nfs/dbraw/zinc/52/47/41/568524741.db2.gz YIZGZNGLPWGLPE-INIZCTEOSA-N 0 0 418.515 2.736 40 0 HFABRN Cc1cccc(N([C@@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)S(C)(=O)=O)c1 ZINC000222723931 568524834 /nfs/dbraw/zinc/52/48/34/568524834.db2.gz UIKMHZXQHVHGMJ-HOTGVXAUSA-N 0 0 418.515 2.798 40 0 HFABRN C[C@@H](C(=O)NCCCO)N(Cc1ccccc1)C(=O)COc1ccccc1Cl ZINC000222724105 568524853 /nfs/dbraw/zinc/52/48/53/568524853.db2.gz SPMWFFDZMYCYSJ-INIZCTEOSA-N 0 0 404.894 2.635 40 0 HFABRN CSc1nnc(NC(=O)CN(c2ccc(C)c(Cl)c2)S(C)(=O)=O)s1 ZINC000222735203 568525154 /nfs/dbraw/zinc/52/51/54/568525154.db2.gz JIGMICNRXDHBQS-UHFFFAOYSA-N 0 0 406.942 2.627 40 0 HFABRN CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N(C)c2cccc(OC)c2)cc1 ZINC000222748137 568525483 /nfs/dbraw/zinc/52/54/83/568525483.db2.gz UYIBMHNKAMDPRL-UHFFFAOYSA-N 0 0 406.504 2.768 40 0 HFABRN CNS(=O)(=O)c1ccc(CCC(=O)N2CCc3cc(Br)ccc32)cc1 ZINC000222877950 568529334 /nfs/dbraw/zinc/52/93/34/568529334.db2.gz XWFXTRIEGVYCCK-UHFFFAOYSA-N 0 0 423.332 2.879 40 0 HFABRN CNC(=O)c1cc(S(=O)(=O)N[C@H](C)c2ccc3c(c2)CCCC3)ccc1OC ZINC000222953710 568532127 /nfs/dbraw/zinc/53/21/27/568532127.db2.gz RVIATDCZZSNJJW-CQSZACIVSA-N 0 0 402.516 2.973 40 0 HFABRN CCOc1ccc(S(=O)(=O)N2C[C@@H](C(=O)OC)Oc3ccccc32)cc1Cl ZINC000223009809 568534279 /nfs/dbraw/zinc/53/42/79/568534279.db2.gz BTNSPBAOCQYTBA-KRWDZBQOSA-N 0 0 411.863 2.868 40 0 HFABRN Cc1sc2ncc(C(=O)Nc3ccc(CC(=O)N4CCCC4)cc3)c(=O)n2c1C ZINC000223038110 568535124 /nfs/dbraw/zinc/53/51/24/568535124.db2.gz XENZJZPXQJBHBX-UHFFFAOYSA-N 0 0 410.499 2.790 40 0 HFABRN CCOc1ccc(CNC(=O)[C@H](c2ccccc2)N(C)S(C)(=O)=O)cc1OCC ZINC000223146709 568539478 /nfs/dbraw/zinc/53/94/78/568539478.db2.gz AGCYMMQPBKWYCG-FQEVSTJZSA-N 0 0 420.531 2.733 40 0 HFABRN C[C@H](NC(=O)CN(Cc1ccccc1F)S(C)(=O)=O)c1ccc2c(c1)CCC2 ZINC000223253476 568542746 /nfs/dbraw/zinc/54/27/46/568542746.db2.gz BXIJNCBGOSKIOY-HNNXBMFYSA-N 0 0 404.507 2.953 40 0 HFABRN CNC(=O)COc1ccc(S(=O)(=O)Nc2ccc(Br)cc2F)cc1 ZINC000223276917 568543839 /nfs/dbraw/zinc/54/38/39/568543839.db2.gz VWBNFBYKRNPMFU-UHFFFAOYSA-N 0 0 417.256 2.514 40 0 HFABRN CN(c1ccc(OCC(=O)NCCCc2ccccc2Cl)cc1)S(C)(=O)=O ZINC000223315870 568545021 /nfs/dbraw/zinc/54/50/21/568545021.db2.gz DXMBAZINTAFVDF-UHFFFAOYSA-N 0 0 410.923 2.864 40 0 HFABRN COC[C@H](C)NC(=O)CCc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 ZINC000223379686 568547065 /nfs/dbraw/zinc/54/70/65/568547065.db2.gz QPKRRKGKDHHHSM-KRWDZBQOSA-N 0 0 416.543 2.912 40 0 HFABRN COC[C@H](C)NC(=O)CSc1ccc(S(=O)(=O)N(C)c2ccccc2)cc1 ZINC000223397985 568547395 /nfs/dbraw/zinc/54/73/95/568547395.db2.gz BAORSJHKJJLYBG-HNNXBMFYSA-N 0 0 408.545 2.755 40 0 HFABRN COc1ccc(N(CC(=O)Nc2nnc(-c3ccccc3)s2)S(C)(=O)=O)cc1 ZINC000223451920 568549297 /nfs/dbraw/zinc/54/92/97/568549297.db2.gz FSBVKORSOHESHE-UHFFFAOYSA-N 0 0 418.500 2.618 40 0 HFABRN CC(C)OC(=O)c1cc2c(ccn2C)n1CC(=O)N1CCN(Cc2ccccc2)CC1 ZINC000026441017 568549549 /nfs/dbraw/zinc/54/95/49/568549549.db2.gz VVKRBGMFRAJLGC-UHFFFAOYSA-N 0 0 422.529 2.889 40 0 HFABRN CCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1cc(OC)cc(OC)c1 ZINC000223535608 568551163 /nfs/dbraw/zinc/55/11/63/568551163.db2.gz ONTVFNTXMDJEKY-INIZCTEOSA-N 0 0 400.475 2.636 40 0 HFABRN CS(=O)(=O)N(CC(=O)NCCOc1ccc2ccccc2c1)c1ccc(F)cc1 ZINC000223592494 568552549 /nfs/dbraw/zinc/55/25/49/568552549.db2.gz YMQYRTQCGJFERD-UHFFFAOYSA-N 0 0 416.474 2.940 40 0 HFABRN Cc1ccccc1-c1noc(CNS(=O)(=O)c2ccc(N3CCCC3=O)cc2)n1 ZINC000223604265 568553127 /nfs/dbraw/zinc/55/31/27/568553127.db2.gz GPXSAHGRVYUVFZ-UHFFFAOYSA-N 0 0 412.471 2.650 40 0 HFABRN CC(=O)Nc1cccc(NC(=O)CCCN(c2ccccc2F)S(C)(=O)=O)c1 ZINC000223643079 568554587 /nfs/dbraw/zinc/55/45/87/568554587.db2.gz RCPPYSWUPCWBBV-UHFFFAOYSA-N 0 0 407.467 2.969 40 0 HFABRN CCOc1ccc(N(CC(=O)NCCOc2ccc(C)c(C)c2)S(C)(=O)=O)cc1 ZINC000223653243 568555023 /nfs/dbraw/zinc/55/50/23/568555023.db2.gz YHYIRYZWUYHDJU-UHFFFAOYSA-N 0 0 420.531 2.663 40 0 HFABRN Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(C)c(N3CCCC3=O)c2)cc1 ZINC000223675444 568555835 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CCOC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)c(C)c1 ZINC000223845132 568560697 /nfs/dbraw/zinc/56/06/97/568560697.db2.gz SLACOZREDFBTCW-UHFFFAOYSA-N 0 0 402.472 2.882 40 0 HFABRN Cc1ccccc1OCCNC(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O ZINC000223873000 568561509 /nfs/dbraw/zinc/56/15/09/568561509.db2.gz BDGGDVUKJUDIIP-UHFFFAOYSA-N 0 0 414.886 2.749 40 0 HFABRN C[C@@H]1CCCN(S(=O)(=O)c2nnc(NC(=O)c3ccccc3Cl)s2)C1 ZINC000223895611 568562374 /nfs/dbraw/zinc/56/23/74/568562374.db2.gz CXPZORDUHDUEAA-SNVBAGLBSA-N 0 0 400.913 2.864 40 0 HFABRN COC(=O)c1cc(S(=O)(=O)N(C)Cc2ccc(OC)cc2OC)ccc1Cl ZINC000223898510 568562383 /nfs/dbraw/zinc/56/23/83/568562383.db2.gz GLWHKPONHSDDAQ-UHFFFAOYSA-N 0 0 413.879 2.965 40 0 HFABRN CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCc1ccccc1OC ZINC000223901843 568562522 /nfs/dbraw/zinc/56/25/22/568562522.db2.gz FNUWBXPEVNJDIE-GOSISDBHSA-N 0 0 406.504 2.565 40 0 HFABRN CCOc1ccccc1N(CC(=O)NCCOc1cccc(C)c1C)S(C)(=O)=O ZINC000223910626 568562647 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/nfs/dbraw/zinc/96/99/58/568969958.db2.gz BRXMGBDGJBWBSB-LLVKDONJSA-N 0 0 418.270 2.820 40 0 HFABRN COc1ccc(Nc2cc(-c3ccncc3)nc(NCCO)n2)cc1C(F)(F)F ZINC000328974291 568970711 /nfs/dbraw/zinc/97/07/11/568970711.db2.gz FFHDSUTUXRMHTR-UHFFFAOYSA-N 0 0 405.380 2.558 40 0 HFABRN C[C@H](CO)Nc1nc(NCc2cccc(Br)c2)cc(C(F)(F)F)n1 ZINC000328977697 568970910 /nfs/dbraw/zinc/97/09/10/568970910.db2.gz FUYNGGBPUOKHAB-SECBINFHSA-N 0 0 405.218 2.507 40 0 HFABRN CNc1nc(NC(=O)c2ccc(N)cc2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328988232 568971316 /nfs/dbraw/zinc/97/13/16/568971316.db2.gz IFFYVWLPOWJUQQ-UHFFFAOYSA-N 0 0 403.364 2.762 40 0 HFABRN Cc1c(Br)cccc1Nc1cc(-c2cccnc2)nc(N[C@@H](C)CO)n1 ZINC000329050870 568974665 /nfs/dbraw/zinc/97/46/65/568974665.db2.gz UVMYQIQPVGZASJ-LBPRGKRZSA-N 0 0 414.307 2.990 40 0 HFABRN Cc1ccc(Nc2cc(C(F)(F)F)nc(N[C@H](C)CO)n2)c(Br)c1 ZINC000329061843 568975159 /nfs/dbraw/zinc/97/51/59/568975159.db2.gz WUZRHBYOYCBXFL-SECBINFHSA-N 0 0 405.218 2.946 40 0 HFABRN COc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2ccc(C(C)=O)cc2)cc1 ZINC000001442236 568978038 /nfs/dbraw/zinc/97/80/38/568978038.db2.gz FCGKEYBYBJZDMP-LJQANCHMSA-N 0 0 402.472 2.690 40 0 HFABRN COCCN1C(=O)[C@@H]2[C@H](C(=O)c3ccccc3)N3c4ccccc4C(C)=C[C@H]3[C@H]2C1=O ZINC000101490827 569013773 /nfs/dbraw/zinc/01/37/73/569013773.db2.gz OJSQIZKKEXDXAI-LNRXMEIDSA-N 0 0 416.477 2.791 40 0 HFABRN O=C(NCc1cccnc1)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000101533373 569014059 /nfs/dbraw/zinc/01/40/59/569014059.db2.gz VFOUTCZPDSNTBM-WOVMCDHWSA-N 0 0 405.495 2.622 40 0 HFABRN O=C(Cn1cnc2c(cnn2-c2ccccc2Cl)c1=O)N1CCc2ccccc21 ZINC000001330955 569049048 /nfs/dbraw/zinc/04/90/48/569049048.db2.gz UFWAWNCKSQRFMF-UHFFFAOYSA-N 0 0 405.845 2.825 40 0 HFABRN CCS(=O)(=O)N[C@H](C)[C@H](c1cccs1)N1CCN(Cc2ccccc2)CC1 ZINC000097546892 569050133 /nfs/dbraw/zinc/05/01/33/569050133.db2.gz IEFGRADEUAHHMH-YLJYHZDGSA-N 0 0 407.605 2.935 40 0 HFABRN Cc1cc(N2CCOCC2)nc(CNS(=O)(=O)c2ccc(-c3ccccc3)cc2)n1 ZINC000224182945 569056178 /nfs/dbraw/zinc/05/61/78/569056178.db2.gz WFOYEINMXVMJSO-UHFFFAOYSA-N 0 0 424.526 2.767 40 0 HFABRN OCCNc1nc2nc(-c3ccccc3)c(-c3ccccc3)nc2c(NCCO)n1 ZINC000001614522 569108599 /nfs/dbraw/zinc/10/85/99/569108599.db2.gz TZHWZFLFMFVPAV-UHFFFAOYSA-N 0 0 402.458 2.562 40 0 HFABRN CCN1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)Nc2nc(-c4ccccc4OC)cs2)[C@H]3C1=O ZINC000248178280 569316647 /nfs/dbraw/zinc/31/66/47/569316647.db2.gz BSBXEDPFCCSPDA-MXTNKPTQSA-N 0 0 411.483 2.559 40 0 HFABRN COc1cc([C@H]2c3c(=O)[nH][nH]c3C[C@@](C)(O)[C@H]2C(=O)OCc2ccccc2)ccc1O ZINC000009408885 569324774 /nfs/dbraw/zinc/32/47/74/569324774.db2.gz QIODCYBHARFFQT-JXHRLWIKSA-N 0 0 424.453 2.628 40 0 HFABRN COc1ccc(Cl)cc1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C ZINC000003549943 569328188 /nfs/dbraw/zinc/32/81/88/569328188.db2.gz ADEXAHPMKHTBSF-UHFFFAOYSA-N 0 0 424.906 2.930 40 0 HFABRN CCOc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccccc3OC)C2)cc1 ZINC000005193324 569328362 /nfs/dbraw/zinc/32/83/62/569328362.db2.gz SCIQKFJKQRMHEA-HNNXBMFYSA-N 0 0 412.442 2.629 40 0 HFABRN O=C(COC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1)Nc1ccccn1 ZINC000007098066 569336831 /nfs/dbraw/zinc/33/68/31/569336831.db2.gz BCJYSNIYHAKXKI-UHFFFAOYSA-N 0 0 401.378 2.678 40 0 HFABRN CC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N([C@H](C)c3ccccc3)C2)cc1 ZINC000007232489 569336953 /nfs/dbraw/zinc/33/69/53/569336953.db2.gz OOAFHQSUFUUZEC-DNVCBOLYSA-N 0 0 408.454 2.981 40 0 HFABRN CC(=O)Nc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N([C@H](C)c3ccccc3)C2)cc1 ZINC000007232553 569336954 /nfs/dbraw/zinc/33/69/54/569336954.db2.gz SYCTXUFVQDPUQG-CRAIPNDOSA-N 0 0 423.469 2.736 40 0 HFABRN COc1ccc(OC)c(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)c1 ZINC000007429584 569337562 /nfs/dbraw/zinc/33/75/62/569337562.db2.gz IYTLUGRERRLPAS-OAHLLOKOSA-N 0 0 412.442 2.547 40 0 HFABRN Cc1ccc(N2C[C@@H](C(=O)Oc3cccc(N4C(=O)CCCC4=O)c3)CC2=O)cc1 ZINC000007928534 569338496 /nfs/dbraw/zinc/33/84/96/569338496.db2.gz BYDJSNVORJKSLB-INIZCTEOSA-N 0 0 406.438 2.997 40 0 HFABRN O=C(Oc1cccc(N2C(=O)CCC2=O)c1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000007928605 569338534 /nfs/dbraw/zinc/33/85/34/569338534.db2.gz JNKOAHTUDKVOEC-CYBMUJFWSA-N 0 0 412.829 2.952 40 0 HFABRN O=C(COC(=O)c1ccc(NC(=O)[C@@H]2[C@H]3C[C@H]4OC(=O)[C@H]2[C@H]4C3)cc1)c1ccccc1 ZINC000007929533 569338583 /nfs/dbraw/zinc/33/85/83/569338583.db2.gz LZRQJCWSTAXCHW-AQDHKIAYSA-N 0 0 419.433 2.862 40 0 HFABRN CCOc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3cccc(OC)c3)C2)cc1 ZINC000007940126 569338823 /nfs/dbraw/zinc/33/88/23/569338823.db2.gz FIPLPQSVTNFGLN-OAHLLOKOSA-N 0 0 412.442 2.629 40 0 HFABRN COC(=O)c1ccc(C)c(NC(=O)CCCN(c2ccccc2)S(C)(=O)=O)c1 ZINC000008040905 569339143 /nfs/dbraw/zinc/33/91/43/569339143.db2.gz CVPRXQKDVTZPGI-UHFFFAOYSA-N 0 0 404.488 2.967 40 0 HFABRN CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3CC)C2=O)ccc1O ZINC000008088177 569339416 /nfs/dbraw/zinc/33/94/16/569339416.db2.gz XPSCKHIVZOCANA-GZTJUZNOSA-N 0 0 409.442 2.885 40 0 HFABRN COC(=O)c1ccc(NC(=O)COC(=O)CCC(=O)Nc2c(C)cccc2C)cc1 ZINC000008433690 569340894 /nfs/dbraw/zinc/34/08/94/569340894.db2.gz YAJUCTUQNRLZJU-UHFFFAOYSA-N 0 0 412.442 2.991 40 0 HFABRN CC[C@@H](Oc1ccccc1OC)C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000008481237 569341654 /nfs/dbraw/zinc/34/16/54/569341654.db2.gz ONKTXMBMQQYGFO-GOSISDBHSA-N 0 0 412.486 2.926 40 0 HFABRN Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCCCOC(C)C)cc1 ZINC000010146559 569343019 /nfs/dbraw/zinc/34/30/19/569343019.db2.gz LSLJHWORGPVQNQ-NRFANRHFSA-N 0 0 418.559 2.816 40 0 HFABRN Cc1ccc(Cl)cc1N1CCN(C(=O)CCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000019597845 569345791 /nfs/dbraw/zinc/34/57/91/569345791.db2.gz XOJOPOVHNSIYQH-UHFFFAOYSA-N 0 0 421.950 2.577 40 0 HFABRN Cc1nc(C)n(CC(=O)N2CCO[C@@H](c3ccc(Cc4ccccc4F)cn3)C2)n1 ZINC000019692250 569346045 /nfs/dbraw/zinc/34/60/45/569346045.db2.gz XICJGOZQBFDFAV-OAQYLSRUSA-N 0 0 409.465 2.620 40 0 HFABRN Nc1ncc(-c2ccc([C@H]3CN(C(=O)c4cccc5ncccc54)CCO3)nc2)cn1 ZINC000019692621 569346123 /nfs/dbraw/zinc/34/61/23/569346123.db2.gz HFAOXABGUTWDHN-OAQYLSRUSA-N 0 0 412.453 2.883 40 0 HFABRN COc1cccc(-c2ccc([C@H]3CN(C(=O)Cn4nc(C)nc4C)CCO3)nc2)c1 ZINC000019692495 569346142 /nfs/dbraw/zinc/34/61/42/569346142.db2.gz YBKUKSDMIQPHTA-OAQYLSRUSA-N 0 0 407.474 2.566 40 0 HFABRN O=C(CN1CCOCC1)N1CCO[C@@H](c2ccc(Cc3ccccc3Cl)cn2)C1 ZINC000019692921 569346250 /nfs/dbraw/zinc/34/62/50/569346250.db2.gz LEQROFIYMDNJJS-OAQYLSRUSA-N 0 0 415.921 2.558 40 0 HFABRN Cc1noc(C)c1S(=O)(=O)N1CCO[C@@H](c2nccnc2-c2ccccc2F)C1 ZINC000019693290 569346409 /nfs/dbraw/zinc/34/64/09/569346409.db2.gz ATJCIIBQSHCUFO-MRXNPFEDSA-N 0 0 418.450 2.650 40 0 HFABRN COc1ccc2c(c1)C=C(CN1CCO[C@@H](c3ncncc3-c3noc(C)n3)C1)CO2 ZINC000019693760 569346607 /nfs/dbraw/zinc/34/66/07/569346607.db2.gz NHOJGRRGTTVJIR-HXUWFJFHSA-N 0 0 421.457 2.693 40 0 HFABRN O=C(c1sc2ncccc2c1[C@@H]1CN(Cc2ccccn2)CCO1)N1CCOCC1 ZINC000019696316 569346738 /nfs/dbraw/zinc/34/67/38/569346738.db2.gz WKFFKPYDGMRGGH-SFHVURJKSA-N 0 0 424.526 2.737 40 0 HFABRN CC(=O)N1CCC[C@@]1(Cc1cc(-c2ccccc2)no1)C(=O)NCc1cccnc1 ZINC000019696438 569346784 /nfs/dbraw/zinc/34/67/84/569346784.db2.gz XDBGIVCUZWRDHA-HSZRJFAPSA-N 0 0 404.470 2.977 40 0 HFABRN CC(=O)N1CCC[C@]1(Cc1cc(-c2ccccc2)no1)C(=O)NCC1CCOCC1 ZINC000019696638 569346811 /nfs/dbraw/zinc/34/68/11/569346811.db2.gz SSNHNQCSYZCQHT-QHCPKHFHSA-N 0 0 411.502 2.808 40 0 HFABRN COc1ccc(CNC(=O)[C@H]2CN(Cc3cnc(C)s3)Cc3cn(C)nc32)cc1 ZINC000019701537 569347356 /nfs/dbraw/zinc/34/73/56/569347356.db2.gz PTLIAWVLFXADLC-IBGZPJMESA-N 0 0 411.531 2.609 40 0 HFABRN Nc1ncnc2nc([C@H]3CN(C(=O)CCc4c[nH]c5ccccc45)CCO3)ccc12 ZINC000019704810 569347775 /nfs/dbraw/zinc/34/77/75/569347775.db2.gz GLNDXUGXCXAWMR-LJQANCHMSA-N 0 0 402.458 2.621 40 0 HFABRN CNC(=O)[C@@]1(Cc2cc(C(C)C)no2)CCN(C(=O)c2cccc(-n3cccn3)c2)C1 ZINC000019739134 569348677 /nfs/dbraw/zinc/34/86/77/569348677.db2.gz VGLGFGPXXAYVQU-HSZRJFAPSA-N 0 0 421.501 2.805 40 0 HFABRN Cc1ncc(C(=O)NCc2ccccc2)c([C@H]2CCCN2C(=O)c2cccnc2N)n1 ZINC000019767170 569349107 /nfs/dbraw/zinc/34/91/07/569349107.db2.gz QUGYXKMPRNZPEE-LJQANCHMSA-N 0 0 416.485 2.670 40 0 HFABRN Cc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2C(=O)N[C@@H](C)CCc2ccccc2)cc1 ZINC000028209663 569350180 /nfs/dbraw/zinc/35/01/80/569350180.db2.gz UTRZDHCCWWMYHZ-FXAWDEMLSA-N 0 0 414.527 2.812 40 0 HFABRN COc1ccc(S(=O)(=O)N(CC(=O)NCC(C)C)Cc2ccccc2)cc1C ZINC000033584290 569350631 /nfs/dbraw/zinc/35/06/31/569350631.db2.gz HOVXWCBMTYLXBM-UHFFFAOYSA-N 0 0 404.532 2.967 40 0 HFABRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(Br)s3)C2=O)o1 ZINC000033914272 569351552 /nfs/dbraw/zinc/35/15/52/569351552.db2.gz FTWXDGGGYMFEGV-POHAHGRESA-N 0 0 411.233 2.983 40 0 HFABRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)c(OC)c(OC)c3)C2=O)o1 ZINC000034846593 569351579 /nfs/dbraw/zinc/35/15/79/569351579.db2.gz JDWBCXJSNZYWRV-QPEQYQDCSA-N 0 0 420.805 2.830 40 0 HFABRN Cc1ccc(NC(=O)COc2ccc([C@@H]3CC(=O)N=C4NC=NN43)cc2Cl)cc1 ZINC000038311150 569351778 /nfs/dbraw/zinc/35/17/78/569351778.db2.gz NQOWIQIJCREGRY-INIZCTEOSA-N 0 0 411.849 2.842 40 0 HFABRN COc1cccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)c1 ZINC000049809598 569352203 /nfs/dbraw/zinc/35/22/03/569352203.db2.gz ULZOQRWZPIRAJX-ZDUSSCGKSA-N 0 0 402.834 2.883 40 0 HFABRN COc1cccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)c1 ZINC000049809597 569352234 /nfs/dbraw/zinc/35/22/34/569352234.db2.gz ULZOQRWZPIRAJX-CYBMUJFWSA-N 0 0 402.834 2.883 40 0 HFABRN COc1ccc(C(=O)NCc2ccncc2)cc1S(=O)(=O)N1CCCCCC1 ZINC000068734480 569352491 /nfs/dbraw/zinc/35/24/91/569352491.db2.gz NQHQHGJPHBQHPP-UHFFFAOYSA-N 0 0 403.504 2.585 40 0 HFABRN CC[C@H]1CCCCN1c1nc2c(c(=O)[nH]1)[C@H](C(=O)Nc1ccccc1F)CC(=O)N2 ZINC000139115288 569354463 /nfs/dbraw/zinc/35/44/63/569354463.db2.gz ORAIDMDHVOWSJG-QWHCGFSZSA-N 0 0 413.453 2.742 40 0 HFABRN Cc1ccc(C)c(N(CC(=O)Nc2ccccc2C(=O)NC(C)C)S(C)(=O)=O)c1 ZINC000166310100 569355343 /nfs/dbraw/zinc/35/53/43/569355343.db2.gz GYOQZUXYRFPXIY-UHFFFAOYSA-N 0 0 417.531 2.846 40 0 HFABRN O=c1/c(=C/c2ccc(O)c(I)c2)sc2nc3ccccc3n12 ZINC000198107802 569355444 /nfs/dbraw/zinc/35/54/44/569355444.db2.gz ANLLLJUJGVRXJG-ZSOIEALJSA-N 0 0 420.231 2.767 40 0 HFABRN O=C1[C@H]2[C@@H](C(=O)N1c1ccccc1)N1CCCN1[C@@H]2c1ccc(Br)cc1 ZINC000019166840 569414275 /nfs/dbraw/zinc/41/42/75/569414275.db2.gz WFRSXQCBXDKKBP-KURKYZTESA-N 0 0 412.287 2.985 40 0 HFABRN OCCCNc1nc(-c2ccncc2)cc(=NNc2c(F)c(F)cc(F)c2F)[nH]1 ZINC000329031189 571308338 /nfs/dbraw/zinc/30/83/38/571308338.db2.gz QHHLLCCCNRRAJK-UHFFFAOYSA-N 0 0 408.359 3.328 40 0 HFABRN OCCCNc1nc(C2CC2)cc(N2CCc3cc(Br)ccc3C2)n1 ZINC000329059609 571308357 /nfs/dbraw/zinc/30/83/57/571308357.db2.gz WIICXQFUKWGFHQ-UHFFFAOYSA-N 0 0 403.324 3.474 40 0 HFABRN Cc1nn(C)c(C)c1/C=C/C(=O)N1CCC(c2nccnc2Nc2ccccn2)CC1 ZINC000585292746 571310203 /nfs/dbraw/zinc/31/02/03/571310203.db2.gz SEIGLCZBXHKWSO-BQYQJAHWSA-N 0 0 417.517 3.385 40 0 HFABRN COCCC(=O)N[C@H]1CC[C@]2(C)CC[C@@H]([C@H](C)C(=O)N3CCCCC3)[C@H](O)[C@H]2[C@@H]1C ZINC000020467121 575369353 /nfs/dbraw/zinc/36/93/53/575369353.db2.gz FJSCLNFECOUEBO-ZXPGAGIVSA-N 0 0 422.610 2.980 40 0 biogenic,in-vitro HFABRN