smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C#CCOc1ccc(Br)cc1CN[C@@H](CO)Cc1cccc(C)c1 ZINC001461431489 1126194201 /nfs/dbraw/zinc/19/42/01/1126194201.db2.gz KOCNJWLHRIKVOY-LJQANCHMSA-N 0 3 388.305 3.463 10 30 GGEEHN O=C(Nc1ccc(Cl)cc1)[C@H]1c2cccc[n+]2CC(=O)N1c1ccccc1[O-] ZINC000005006326 204102588 /nfs/dbraw/zinc/10/25/88/204102588.db2.gz ZQDVVEOJZBYMPU-HXUWFJFHSA-O 0 3 394.838 3.060 10 30 GGEEHN CCOC(=O)C(=NNc1cc(Cl)ccc1Cl)NCCN(CC)CC ZINC000022869170 520394218 /nfs/dbraw/zinc/39/42/18/520394218.db2.gz YGJGXJKVYGXEPW-UHFFFAOYSA-N 0 3 375.300 3.213 10 30 GGEEHN CCCCS[C@@H](C)C(=O)C(C#N)c1ccc(S(=O)(=O)N(CC)CC)cn1 ZINC000058159232 520967225 /nfs/dbraw/zinc/96/72/25/520967225.db2.gz WMNWRDXXFFVZTF-GOEBONIOSA-N 0 3 397.566 3.210 10 30 GGEEHN CN(CC(=O)NC1(C#N)CCCCC1)C1(CO)CCC(c2ccccc2)CC1 ZINC000095395087 522461352 /nfs/dbraw/zinc/46/13/52/522461352.db2.gz HWTCFGPQDINLAZ-UHFFFAOYSA-N 0 3 383.536 3.350 10 30 GGEEHN CS(=O)(=O)OC[C@@H]1CN(Cc2ccccc2)CC[C@@H]1c1ccc(F)cc1 ZINC000097974004 525232280 /nfs/dbraw/zinc/23/22/80/525232280.db2.gz ADWQMOLEYNRWBF-AZUAARDMSA-N 0 3 377.481 3.408 10 30 GGEEHN O=C(c1ccc(Cl)cc1)C(C(=S)[N-]C[C@H]1CCCO1)[n+]1ccccc1 ZINC000028605926 564363950 /nfs/dbraw/zinc/36/39/50/564363950.db2.gz RKXZTVGAOKNTMX-MRXNPFEDSA-O 0 3 375.901 3.335 10 30 GGEEHN COc1cccc(C(=O)C(C(=S)[N-]CCSC)[n+]2ccc(C)cc2)c1 ZINC000131357498 564709134 /nfs/dbraw/zinc/70/91/34/564709134.db2.gz TUOCODSUTLGXOJ-UHFFFAOYSA-O 0 3 375.539 3.183 10 30 GGEEHN C=C(C)CN1CCC(NC(=O)NCc2ccc(Br)cc2OC)CC1 ZINC000186585050 565270175 /nfs/dbraw/zinc/27/01/75/565270175.db2.gz WDVVGMKNWCTWSN-UHFFFAOYSA-N 0 3 396.329 3.297 10 30 GGEEHN C=CCN1CCC(NC(=O)N[C@@H](C)c2ccc(Br)cc2OC)CC1 ZINC000189405325 565464096 /nfs/dbraw/zinc/46/40/96/565464096.db2.gz DCTRWKNSEWIUQE-ZDUSSCGKSA-N 0 3 396.329 3.468 10 30 GGEEHN C=CCN(Cc1cc(Br)ccc1F)C(=O)NC[C@@H]1CCCN1C ZINC000409554816 565623866 /nfs/dbraw/zinc/62/38/66/565623866.db2.gz MBOWXEMHUMAGAV-HNNXBMFYSA-N 0 3 384.293 3.380 10 30 GGEEHN [O-]C(N[C@@H]1CCc2nc[nH]c2C1)=[NH+][C@@H]1CCc2cc(Br)ccc21 ZINC000329742287 565677957 /nfs/dbraw/zinc/67/79/57/565677957.db2.gz WLLSANWQKMSXFI-TZMCWYRMSA-N 0 3 375.270 3.221 10 30 GGEEHN [O-]C(N[C@@H]1CCc2[nH]cnc2C1)=[NH+][C@@H]1CCc2cc(Br)ccc21 ZINC000329742287 565677960 /nfs/dbraw/zinc/67/79/60/565677960.db2.gz WLLSANWQKMSXFI-TZMCWYRMSA-N 0 3 375.270 3.221 10 30 GGEEHN N#Cc1ccc(OCCNCc2cc3c(c(Br)c2)OCO3)cc1 ZINC000236599166 565939813 /nfs/dbraw/zinc/93/98/13/565939813.db2.gz RXMXSNQQVQBDAC-UHFFFAOYSA-N 0 3 375.222 3.218 10 30 GGEEHN O=C(NCCN[C@H](c1ccc(Br)cc1)C1CC1)C1N=CC=CC1=O ZINC000180176727 566041685 /nfs/dbraw/zinc/04/16/85/566041685.db2.gz QTRJVPUUMABYNQ-QCPHZMBFSA-N 0 3 390.281 3.016 10 30 GGEEHN O=C(NCCN[C@@H](c1ccc(Br)cc1)C1CC1)C1N=CC=CC1=O ZINC000180176714 566041734 /nfs/dbraw/zinc/04/17/34/566041734.db2.gz QTRJVPUUMABYNQ-OTZFSBHDSA-N 0 3 390.281 3.016 10 30 GGEEHN O=C(NCCN[C@H]1CCCSc2ccc(Cl)cc21)C1N=CC=CC1=O ZINC000180881083 566096109 /nfs/dbraw/zinc/09/61/09/566096109.db2.gz BAIMNLOVMBFDAZ-DNZUHHBVSA-N 0 3 377.897 3.383 10 30 GGEEHN N#Cc1ccc2ncc(CN[C@H]3CCN(c4ccccc4Br)C3)n2c1 ZINC000181982772 566176227 /nfs/dbraw/zinc/17/62/27/566176227.db2.gz OIJSZDIBTFWTEG-HNNXBMFYSA-N 0 3 396.292 3.337 10 30 GGEEHN C=CCN1CCC(NC(=O)Nc2ccc(Br)c(C(=O)OC)c2)CC1 ZINC000182631732 566216729 /nfs/dbraw/zinc/21/67/29/566216729.db2.gz LPGJIBOFJHZRIW-UHFFFAOYSA-N 0 3 396.285 3.008 10 30 GGEEHN COc1ccc([C@@H](C)NC[C@@H](O)CC2(C#N)CCOCC2)cc1Br ZINC000599351518 566254598 /nfs/dbraw/zinc/25/45/98/566254598.db2.gz ZDFHXLRTLMLEOL-HIFRSBDPSA-N 0 3 397.313 3.180 10 30 GGEEHN Cc1cc(Br)ccc1CN(C)C[C@H](O)CC1(C#N)CCOCC1 ZINC000599384708 566260109 /nfs/dbraw/zinc/26/01/09/566260109.db2.gz COBBSHMBVQGVDU-QGZVFWFLSA-N 0 3 381.314 3.261 10 30 GGEEHN CN(Cc1ccc(Br)c(F)c1)C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599389275 566262492 /nfs/dbraw/zinc/26/24/92/566262492.db2.gz WZBKGCFSPMYYIX-AWEZNQCLSA-N 0 3 385.277 3.091 10 30 GGEEHN N#CC1(C[C@H](O)CN[C@H](CCO)c2cc(Cl)cc(Cl)c2)CCOCC1 ZINC000599685783 566285808 /nfs/dbraw/zinc/28/58/08/566285808.db2.gz YMFCDDVJRRERGH-DLBZAZTESA-N 0 3 387.307 3.078 10 30 GGEEHN N#CC1(C[C@H](O)CN[C@@H](CCO)c2cc(Cl)cc(Cl)c2)CCOCC1 ZINC000599685785 566286282 /nfs/dbraw/zinc/28/62/82/566286282.db2.gz YMFCDDVJRRERGH-IRXDYDNUSA-N 0 3 387.307 3.078 10 30 GGEEHN N#CC1(C[C@@H](O)CN[C@H]2CSc3ccc(Br)cc32)CCOCC1 ZINC000600732493 566360992 /nfs/dbraw/zinc/36/09/92/566360992.db2.gz BKUCEDPFPBAYHU-HIFRSBDPSA-N 0 3 397.338 3.257 10 30 GGEEHN N#CC1(C[C@H](O)CNCc2cc(Cl)cc(Br)c2)CCOCC1 ZINC000600735222 566361194 /nfs/dbraw/zinc/36/11/94/566361194.db2.gz IWSIHCCGWAYQTR-HNNXBMFYSA-N 0 3 387.705 3.263 10 30 GGEEHN N#CC1(C[C@@H](O)CNCc2cc(Cl)cc(I)c2)CC1 ZINC000600739553 566362899 /nfs/dbraw/zinc/36/28/99/566362899.db2.gz QIKLAVQBTRGTGB-CYBMUJFWSA-N 0 3 390.652 3.089 10 30 GGEEHN N#CC1(C[C@H](O)CNCc2ccc(I)c(Cl)c2)CC1 ZINC000600738046 566362414 /nfs/dbraw/zinc/36/24/14/566362414.db2.gz ZMDTWSXDBCNAST-NSHDSACASA-N 0 3 390.652 3.089 10 30 GGEEHN CN(CCC#N)C[C@@H](O)CN[C@H]1CCCSc2ccc(Br)cc21 ZINC000600764098 566363624 /nfs/dbraw/zinc/36/36/24/566363624.db2.gz XKJZIZHUNUPXQH-HOCLYGCPSA-N 0 3 398.370 3.172 10 30 GGEEHN CC(C)N(CCN1CCCCCC1)S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000557855239 566430166 /nfs/dbraw/zinc/43/01/66/566430166.db2.gz PVXVPYLNUZQKNF-UHFFFAOYSA-N 0 3 383.945 3.487 10 30 GGEEHN C[C@](CO)(NCCOc1ccccc1C#N)c1ccc(Br)cc1 ZINC000511622766 566476839 /nfs/dbraw/zinc/47/68/39/566476839.db2.gz LJWVINWEYFAAER-GOSISDBHSA-N 0 3 375.266 3.197 10 30 GGEEHN C=CCN1CCC(NC(=O)[C@@H]2CCOc3ccc(Br)cc32)CC1 ZINC000651273301 566505134 /nfs/dbraw/zinc/50/51/34/566505134.db2.gz ITDPKDAQIFHZAM-OAHLLOKOSA-N 0 3 379.298 3.082 10 30 GGEEHN C=C(C)CN1CCC(NC(=O)Cc2noc3ccc(Br)cc23)CC1 ZINC000424652595 566553595 /nfs/dbraw/zinc/55/35/95/566553595.db2.gz QYSQXJRHPIPXTO-UHFFFAOYSA-N 0 3 392.297 3.290 10 30 GGEEHN C=CCOc1c(Br)cc(CN2CCNC[C@](C)(F)C2)cc1OC ZINC000580893090 566733306 /nfs/dbraw/zinc/73/33/06/566733306.db2.gz OBFGRBAQFUWDFJ-KRWDZBQOSA-N 0 3 387.293 3.156 10 30 GGEEHN COc1cnccc1N1CCN(Cc2ccc(Br)cc2C#N)CC1 ZINC000561873619 566744655 /nfs/dbraw/zinc/74/46/55/566744655.db2.gz SYZWVMDJPJIINO-UHFFFAOYSA-N 0 3 387.281 3.047 10 30 GGEEHN C=CCN1CCC(NC(=O)CSCc2cc(-c3cccs3)on2)CC1 ZINC000609266223 566756343 /nfs/dbraw/zinc/75/63/43/566756343.db2.gz JKEWHSAUHQGCFI-UHFFFAOYSA-N 0 3 377.535 3.403 10 30 GGEEHN COC(C)(C)CCN1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000469788001 566814413 /nfs/dbraw/zinc/81/44/13/566814413.db2.gz SKSXIGYXNOJNIN-KRWDZBQOSA-N 0 3 380.330 3.446 10 30 GGEEHN C=C(C)[C@@H](CO)N1CCC(Oc2ccccc2I)CC1 ZINC000611237531 566903746 /nfs/dbraw/zinc/90/37/46/566903746.db2.gz MFMQEPFKBLOHHB-OAHLLOKOSA-N 0 3 387.261 3.071 10 30 GGEEHN N#Cc1ccc(CC(C#N)C(=O)NCc2cc(F)cc(Br)c2)cc1 ZINC000470835364 566908090 /nfs/dbraw/zinc/90/80/90/566908090.db2.gz GOQNBEGNYSNVGF-OAHLLOKOSA-N 0 3 386.224 3.459 10 30 GGEEHN N#Cc1ccc(CC(C#N)C(=O)NCCc2ccccc2Br)cc1 ZINC000470895499 566913085 /nfs/dbraw/zinc/91/30/85/566913085.db2.gz XDBDNTFNZQAWFU-QGZVFWFLSA-N 0 3 382.261 3.362 10 30 GGEEHN C=CC[C@@H](CO)NCc1cc(Br)ccc1OCc1ccccn1 ZINC000680484569 566913202 /nfs/dbraw/zinc/91/32/02/566913202.db2.gz MQZHIQFCSUYKMY-INIZCTEOSA-N 0 3 377.282 3.450 10 30 GGEEHN C=C(CN[C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1)c1ccccc1 ZINC000430706748 567031144 /nfs/dbraw/zinc/03/11/44/567031144.db2.gz NPEQLGNZUCRALQ-ZDUSSCGKSA-N 0 3 395.322 3.461 10 30 GGEEHN C=CCOc1c(Br)cc(CN[C@@H]2C[C@@H](O)C23CCC3)cc1OC ZINC000657701912 567085851 /nfs/dbraw/zinc/08/58/51/567085851.db2.gz BKPMTDYPJQOSOT-HZPDHXFCSA-N 0 3 382.298 3.416 10 30 GGEEHN CC(C)N(CCN1CCCCCC1)S(=O)(=O)c1cccc(Cl)c1C#N ZINC000588135161 567117698 /nfs/dbraw/zinc/11/76/98/567117698.db2.gz IAEWAOMDZVNVFZ-UHFFFAOYSA-N 0 3 383.945 3.487 10 30 GGEEHN N#Cc1ccc(OCCNC[C@@H](O)COc2cc(Cl)ccc2Cl)cc1 ZINC000566117416 567128236 /nfs/dbraw/zinc/12/82/36/567128236.db2.gz UWAWKNCKNOEBDO-OAHLLOKOSA-N 0 3 381.259 3.273 10 30 GGEEHN COc1cc(CNC[C@@H](O)COc2cc(Cl)ccc2Cl)ccc1C#N ZINC000566131232 567129333 /nfs/dbraw/zinc/12/93/33/567129333.db2.gz WRWDQTACANYOGD-OAHLLOKOSA-N 0 3 381.259 3.403 10 30 GGEEHN N#Cc1ccc(OCCNC[C@@H](O)COc2c(Cl)cccc2Cl)cc1 ZINC000567606059 567260916 /nfs/dbraw/zinc/26/09/16/567260916.db2.gz SLBJNZVPTBCRGL-CQSZACIVSA-N 0 3 381.259 3.273 10 30 GGEEHN C=CCN1CCC(NC(=O)N2CCc3ccc(F)c(Br)c3C2)CC1 ZINC000527593054 567344844 /nfs/dbraw/zinc/34/48/44/567344844.db2.gz DSUBICRJVZNFNH-UHFFFAOYSA-N 0 3 396.304 3.306 10 30 GGEEHN C=CC[C@H]1CCCC[C@@H]1NCC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC000661117615 567349972 /nfs/dbraw/zinc/34/99/72/567349972.db2.gz SOPNYAFBUHOLKW-BBRMVZONSA-N 0 3 384.929 3.407 10 30 GGEEHN CN(C)[C@@H](CNC(=O)Cc1ccc(Br)cc1C#N)c1ccccc1 ZINC000593001316 567376877 /nfs/dbraw/zinc/37/68/77/567376877.db2.gz DOCSPDVFKXSINR-SFHVURJKSA-N 0 3 386.293 3.282 10 30 GGEEHN CC(C)CN(C(=O)Cc1ccc(Br)cc1C#N)C1CCN(C)CC1 ZINC000593158329 567390693 /nfs/dbraw/zinc/39/06/93/567390693.db2.gz WYCPOHPKVBKOPO-UHFFFAOYSA-N 0 3 392.341 3.442 10 30 GGEEHN C[C@@H](CNC(=O)Cc1ccc(Br)cc1C#N)N1CCC[C@@H](C)C1 ZINC000593408549 567411702 /nfs/dbraw/zinc/41/17/02/567411702.db2.gz PREDRIUOLAPDIF-KGLIPLIRSA-N 0 3 378.314 3.100 10 30 GGEEHN CC1(C)CCCN(CCNC(=O)Cc2ccc(Br)cc2C#N)C1 ZINC000593659118 567433487 /nfs/dbraw/zinc/43/34/87/567433487.db2.gz ZYRKYJDJVCSYJY-UHFFFAOYSA-N 0 3 378.314 3.101 10 30 GGEEHN C[C@@H]1CN(C(=O)Cc2ccc(Br)cc2C#N)CCN(C2CCC2)C1 ZINC000593720291 567436051 /nfs/dbraw/zinc/43/60/51/567436051.db2.gz JSRTXCAEEAOMOI-AWEZNQCLSA-N 0 3 390.325 3.196 10 30 GGEEHN C[C@H]1CN(C(=O)Cc2ccc(Br)cc2C#N)CCN(C2CCC2)C1 ZINC000593720293 567436436 /nfs/dbraw/zinc/43/64/36/567436436.db2.gz JSRTXCAEEAOMOI-CQSZACIVSA-N 0 3 390.325 3.196 10 30 GGEEHN CC1(N2CCOCC2)CCN(Cc2cc(C#N)ccc2Br)CC1 ZINC000528726355 567451867 /nfs/dbraw/zinc/45/18/67/567451867.db2.gz HPXXNIWYXVFBDH-UHFFFAOYSA-N 0 3 378.314 3.007 10 30 GGEEHN N#CCc1ccc(OC[C@@H](O)CNCc2cc(F)cc(Br)c2)cc1 ZINC000551007932 567472266 /nfs/dbraw/zinc/47/22/66/567472266.db2.gz QSBFNFXXWVTYIJ-KRWDZBQOSA-N 0 3 393.256 3.184 10 30 GGEEHN N#CCc1ccc(OC[C@H](O)CNCc2cc(F)cc(Br)c2)cc1 ZINC000551007933 567472291 /nfs/dbraw/zinc/47/22/91/567472291.db2.gz QSBFNFXXWVTYIJ-QGZVFWFLSA-N 0 3 393.256 3.184 10 30 GGEEHN Cc1cc(NC(=O)[C@H](N)CCCCC#N)n(-c2cccc(Br)c2)n1 ZINC000594426488 567474771 /nfs/dbraw/zinc/47/47/71/567474771.db2.gz DEAUMLXSXCLYEU-OAHLLOKOSA-N 0 3 390.285 3.293 10 30 GGEEHN N#CCCCC[C@@H](N)C(=O)N(Cc1cc(Br)ccc1F)C1CC1 ZINC000594429399 567474948 /nfs/dbraw/zinc/47/49/48/567474948.db2.gz TUEHJTBLFIPXAR-MRXNPFEDSA-N 0 3 382.277 3.490 10 30 GGEEHN Cc1cc(NC(=O)[C@@H](N)CCCCC#N)n(-c2cccc(Br)c2)n1 ZINC000594426485 567474952 /nfs/dbraw/zinc/47/49/52/567474952.db2.gz DEAUMLXSXCLYEU-HNNXBMFYSA-N 0 3 390.285 3.293 10 30 GGEEHN CCN(CCOc1ccc(Br)cc1)C(=O)[C@H](N)CCCCC#N ZINC000594433895 567475698 /nfs/dbraw/zinc/47/56/98/567475698.db2.gz UNQHXEHSDPHQIZ-MRXNPFEDSA-N 0 3 382.302 3.088 10 30 GGEEHN N#CCCCC[C@H](N)C(=O)NCc1ccc(Br)cc1C(F)(F)F ZINC000594437091 567476342 /nfs/dbraw/zinc/47/63/42/567476342.db2.gz UZEXATUCQGJJSN-ZDUSSCGKSA-N 0 3 392.219 3.495 10 30 GGEEHN N#CCCCC[C@@H](N)C(=O)N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000594455879 567477038 /nfs/dbraw/zinc/47/70/38/567477038.db2.gz DHOVTIQJAYTQOE-XJKCOSOUSA-N 0 3 382.277 3.362 10 30 GGEEHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2C[C@H]2c2ccsc2)cc1 ZINC000529083547 567485186 /nfs/dbraw/zinc/48/51/86/567485186.db2.gz VELBVOQSJPPFTK-KNXALSJPSA-N 0 3 375.475 3.111 10 30 GGEEHN C=CCCSCCN[C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000595060570 567540750 /nfs/dbraw/zinc/54/07/50/567540750.db2.gz VPWPBJBLQCVQJY-NSHDSACASA-N 0 3 393.372 3.056 10 30 GGEEHN N#Cc1cc(Br)ccc1C(=O)NC[C@H]1CCN1C1CCCCC1 ZINC000529716521 567543392 /nfs/dbraw/zinc/54/33/92/567543392.db2.gz MXNNROIHTHXUMH-MRXNPFEDSA-N 0 3 376.298 3.458 10 30 GGEEHN N#Cc1cc(Br)ccc1C(=O)NC[C@@H]1CCN1C1CCCCC1 ZINC000529716520 567543613 /nfs/dbraw/zinc/54/36/13/567543613.db2.gz MXNNROIHTHXUMH-INIZCTEOSA-N 0 3 376.298 3.458 10 30 GGEEHN C=CCOc1c(Br)cc(CN2CC[C@H]3CN(C)C[C@@H]32)cc1OC ZINC000644840280 567582711 /nfs/dbraw/zinc/58/27/11/567582711.db2.gz JUBSYAFKVLUWRC-HOCLYGCPSA-N 0 3 381.314 3.158 10 30 GGEEHN N#Cc1ccc(NCc2ccc(CN3CC[C@H](O)C3)cc2)c(Br)c1 ZINC000596423672 567631915 /nfs/dbraw/zinc/63/19/15/567631915.db2.gz NZNCQQOHDDTYDL-KRWDZBQOSA-N 0 3 386.293 3.499 10 30 GGEEHN CS[C@@H]1CN(c2c(C#N)cnc3c(Br)cccc32)C[C@H]1N(C)C ZINC000440663854 567638746 /nfs/dbraw/zinc/63/87/46/567638746.db2.gz OKTVWVIISJPGDO-HUUCEWRRSA-N 0 3 391.338 3.351 10 30 GGEEHN C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCCN(CC)CC1 ZINC000460796716 567702406 /nfs/dbraw/zinc/70/24/06/567702406.db2.gz HJVAGPJFRDNPLS-UHFFFAOYSA-N 0 3 393.333 3.144 10 30 GGEEHN CCn1c(CNC[C@H](O)CC(C)(C)C#N)nc2cc(Br)ccc21 ZINC000598724913 567785992 /nfs/dbraw/zinc/78/59/92/567785992.db2.gz SKHBWWWHPTURND-CYBMUJFWSA-N 0 3 379.302 3.209 10 30 GGEEHN N#Cc1ccc(CN[C@@]2(CO)CCc3cc(Br)ccc3C2)cc1F ZINC000598993002 567801669 /nfs/dbraw/zinc/80/16/69/567801669.db2.gz HKJYZYUWPVHIJH-IBGZPJMESA-N 0 3 389.268 3.469 10 30 GGEEHN CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(CCOc2ccc(CC#N)cc2)C1 ZINC000072304916 570514503 /nfs/dbraw/zinc/51/45/03/570514503.db2.gz XFMGYLCNNJKNSQ-QGZVFWFLSA-N 0 3 397.441 3.254 10 30 GGEEHN C[C@@H](Cc1ccccc1F)NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000054623466 1406789349 /nfs/dbraw/zinc/78/93/49/1406789349.db2.gz CQKLVSYZBWDZJR-KRWDZBQOSA-N 0 3 382.483 3.402 10 30 GGEEHN Cn1cc(CNCc2ccc(N3CCOC3=O)cc2)c(-c2ccc(C#N)cc2)n1 ZINC000181560681 1430320330 /nfs/dbraw/zinc/32/03/30/1430320330.db2.gz GJJNTRWOCDTJNZ-UHFFFAOYSA-N 0 3 387.443 3.205 10 30 GGEEHN CCCn1ccnc1CCCN(C)[C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000191510187 1432676020 /nfs/dbraw/zinc/67/60/20/1432676020.db2.gz DPBKUYIZYSLFGI-LVIWNVNYSA-N 0 3 387.572 3.477 10 30 GGEEHN C[C@@H](N[C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1)c1ccc2c(c1)CC(=O)N2C ZINC000271763890 1434848798 /nfs/dbraw/zinc/84/87/98/1434848798.db2.gz BRQIVRQGTYUFCT-YOPALGQTSA-N 0 3 396.535 3.175 10 30 GGEEHN C#CCOc1ccc(Br)cc1CN[C@H](CO)Cc1ccc(C)cc1 ZINC001656091208 1126256658 /nfs/dbraw/zinc/25/66/58/1126256658.db2.gz KPINXDVAFDJVAK-IBGZPJMESA-N 0 3 388.305 3.463 10 30 GGEEHN C=CCN(Cc1ccccc1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000043120147 209095665 /nfs/dbraw/zinc/09/56/65/209095665.db2.gz PNAAGRDZVKSGKR-NRFANRHFSA-N 0 3 384.430 3.132 10 30 GGEEHN CN(Cc1cccc(C#N)c1)C[C@H](O)COc1cccc(Br)c1 ZINC000027208071 564352995 /nfs/dbraw/zinc/35/29/95/564352995.db2.gz GCFJPAKTBOEODA-KRWDZBQOSA-N 0 3 375.266 3.192 10 30 GGEEHN O=C(c1cccc(Cl)c1)C(C(=S)[N-]C[C@@H]1CCCO1)[n+]1ccccc1 ZINC000121284450 564362841 /nfs/dbraw/zinc/36/28/41/564362841.db2.gz IFQAAJLWKFKGPC-INIZCTEOSA-O 0 3 375.901 3.335 10 30 GGEEHN CCCCNC(=O)C(C#N)C(=O)[C@@H](C)Cc1ccc(F)c(Br)c1 ZINC000132701214 564750905 /nfs/dbraw/zinc/75/09/05/564750905.db2.gz JOZWGFITHOYPDP-WCQYABFASA-N 0 3 383.261 3.392 10 30 GGEEHN C=C(C)CN1CCC(NC(=O)NCc2cc(F)cc(Br)c2)CC1 ZINC000106262117 564980399 /nfs/dbraw/zinc/98/03/99/564980399.db2.gz RESGXSLYTHFILN-UHFFFAOYSA-N 0 3 384.293 3.428 10 30 GGEEHN N#Cc1ccsc1NC(=O)CCN[C@@H](CO)c1cccc(Br)c1 ZINC000183885925 565100865 /nfs/dbraw/zinc/10/08/65/565100865.db2.gz LMHPCEKHIGLTPR-AWEZNQCLSA-N 0 3 394.294 3.034 10 30 GGEEHN N#CCCOCCN1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000292935934 565142050 /nfs/dbraw/zinc/14/20/50/565142050.db2.gz ZNPYDWFYNAYPDC-UHFFFAOYSA-N 0 3 380.286 3.030 10 30 GGEEHN Cc1nsc(NC(=O)NCC2CCN(Cc3cccs3)CC2)c1C#N ZINC000297389571 565370619 /nfs/dbraw/zinc/37/06/19/565370619.db2.gz JEIAPEBWJBPLTL-UHFFFAOYSA-N 0 3 375.523 3.418 10 30 GGEEHN C=C(C)CN(CC)C(=O)CNC1(c2ccc(Br)cc2)CCOCC1 ZINC000170913578 565398390 /nfs/dbraw/zinc/39/83/90/565398390.db2.gz JEIKVAWBNZBDRH-UHFFFAOYSA-N 0 3 395.341 3.469 10 30 GGEEHN C=CCN1CCC(NC(=O)N[C@H](C)c2ccc(Br)cc2OC)CC1 ZINC000189405347 565463393 /nfs/dbraw/zinc/46/33/93/565463393.db2.gz DCTRWKNSEWIUQE-CYBMUJFWSA-N 0 3 396.329 3.468 10 30 GGEEHN N#Cc1ccc(N2CC[C@@H](OCCN3CCCCC3)C2)c(Br)c1 ZINC000301864255 565515117 /nfs/dbraw/zinc/51/51/17/565515117.db2.gz MJTWOCDCHIQCRA-MRXNPFEDSA-N 0 3 378.314 3.402 10 30 GGEEHN C=CC[C@@H](CO)NCc1cc(Br)c(OC)c(Br)c1 ZINC000320706453 565603303 /nfs/dbraw/zinc/60/33/03/565603303.db2.gz ZCJWWZBYMMPNBP-JTQLQIEISA-N 0 3 379.092 3.247 10 30 GGEEHN C=CCN(Cc1cc(Br)ccc1F)C(=O)NC[C@H]1CCCN1C ZINC000409554817 565623142 /nfs/dbraw/zinc/62/31/42/565623142.db2.gz MBOWXEMHUMAGAV-OAHLLOKOSA-N 0 3 384.293 3.380 10 30 GGEEHN CCN1CCC[C@H](NC(=O)N[C@H]2COc3cc(F)c(Br)cc32)C1 ZINC000328784536 565642341 /nfs/dbraw/zinc/64/23/41/565642341.db2.gz KFNWTBANCSZKOK-HZMBPMFUSA-N 0 3 386.265 3.010 10 30 GGEEHN C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1CC[C@@H]2CCN(C)C[C@H]21 ZINC000329416000 565666302 /nfs/dbraw/zinc/66/63/02/565666302.db2.gz FNICYQXEEAFYEA-SLEUVZQESA-N 0 3 384.307 3.239 10 30 GGEEHN [O-]C(N[C@@H]1CCc2nc[nH]c2C1)=[NH+][C@H]1CCOc2ccc(Br)cc21 ZINC000329611023 565672937 /nfs/dbraw/zinc/67/29/37/565672937.db2.gz NXQSVYPXTKOSED-YPMHNXCESA-N 0 3 391.269 3.057 10 30 GGEEHN [O-]C(N[C@@H]1CCc2[nH]cnc2C1)=[NH+][C@H]1CCOc2ccc(Br)cc21 ZINC000329611023 565672943 /nfs/dbraw/zinc/67/29/43/565672943.db2.gz NXQSVYPXTKOSED-YPMHNXCESA-N 0 3 391.269 3.057 10 30 GGEEHN C=CCN1CCC(NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)CC1 ZINC000280869500 565701303 /nfs/dbraw/zinc/70/13/03/565701303.db2.gz YQNMACYKMFZZPO-UHFFFAOYSA-N 0 3 397.273 3.438 10 30 GGEEHN C=CCN1CCC(NC(=O)N[C@H]2CCOc3c(Br)cccc32)CC1 ZINC000282085929 565764092 /nfs/dbraw/zinc/76/40/92/565764092.db2.gz IBZDQJOJDDHCBX-INIZCTEOSA-N 0 3 394.313 3.222 10 30 GGEEHN C[C@@H]1CN(C2CCN(Cc3ccc(C#N)cc3Br)CC2)CCO1 ZINC000181005927 566106189 /nfs/dbraw/zinc/10/61/89/566106189.db2.gz JMFDIVDPYRMIMA-CQSZACIVSA-N 0 3 378.314 3.006 10 30 GGEEHN C[C@H]1CN(C2CCN(Cc3ccc(C#N)cc3Br)CC2)CCO1 ZINC000181005942 566106220 /nfs/dbraw/zinc/10/62/20/566106220.db2.gz JMFDIVDPYRMIMA-AWEZNQCLSA-N 0 3 378.314 3.006 10 30 GGEEHN N#Cc1ccc2ncc(CN[C@@H]3CCN(c4ccccc4Br)C3)n2c1 ZINC000181982795 566175731 /nfs/dbraw/zinc/17/57/31/566175731.db2.gz OIJSZDIBTFWTEG-OAHLLOKOSA-N 0 3 396.292 3.337 10 30 GGEEHN C[C@@H](NC[C@@H](O)CC1(C#N)CCOCC1)c1ccc(F)c(Br)c1 ZINC000599364471 566257366 /nfs/dbraw/zinc/25/73/66/566257366.db2.gz YQQNHDMPEBHXND-OCCSQVGLSA-N 0 3 385.277 3.310 10 30 GGEEHN COc1cc(Br)ccc1[C@@H](C)NC[C@H](O)CC1(C#N)CCOCC1 ZINC000599387582 566259908 /nfs/dbraw/zinc/25/99/08/566259908.db2.gz YHLGOPNWQPULNK-UKRRQHHQSA-N 0 3 397.313 3.180 10 30 GGEEHN N#CC1(C[C@H](O)CN[C@@H](CCO)c2ccc(Cl)c(Cl)c2)CCOCC1 ZINC000599414597 566262877 /nfs/dbraw/zinc/26/28/77/566262877.db2.gz GRFQTQSOBMUDBR-YOEHRIQHSA-N 0 3 387.307 3.078 10 30 GGEEHN N#CC1(C[C@@H](O)CN2CC[C@@H](c3cccc(Br)c3)C2)CCOCC1 ZINC000599433853 566266090 /nfs/dbraw/zinc/26/60/90/566266090.db2.gz LQZQKANDVLNYOJ-SJLPKXTDSA-N 0 3 393.325 3.310 10 30 GGEEHN N#Cc1cc(CN[C@@]2(CO)CCc3cc(Br)ccc3C2)ccc1F ZINC000599573528 566275909 /nfs/dbraw/zinc/27/59/09/566275909.db2.gz RLJAQTULIXAIAI-IBGZPJMESA-N 0 3 389.268 3.469 10 30 GGEEHN C[C@H](C(=O)N(C)CCC#N)N1C[C@@H](c2ccc(Br)cc2)C[C@H]1C ZINC000599652430 566284076 /nfs/dbraw/zinc/28/40/76/566284076.db2.gz MFWRJVKJEVMUBO-FMKPAKJESA-N 0 3 378.314 3.387 10 30 GGEEHN C[C@@H](C(=O)N(C)CCC#N)N1C[C@@H](c2ccc(Br)cc2)C[C@H]1C ZINC000599652433 566284853 /nfs/dbraw/zinc/28/48/53/566284853.db2.gz MFWRJVKJEVMUBO-YCPHGPKFSA-N 0 3 378.314 3.387 10 30 GGEEHN C=C(C)CN1CCC(NC(=O)[C@@H]2[C@@H]3Cc4c(cccc4Br)[C@@H]32)CC1 ZINC000625323183 566304758 /nfs/dbraw/zinc/30/47/58/566304758.db2.gz RZBVNWKDIMTWEH-NZSAHSFTSA-N 0 3 389.337 3.492 10 30 GGEEHN FC(F)C(F)(F)COCCN[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC000625744464 566354752 /nfs/dbraw/zinc/35/47/52/566354752.db2.gz OOMGTVSNYMQVHY-ZYHUDNBSSA-N 0 3 375.284 3.428 10 30 GGEEHN N#CC1(C[C@H](O)CNCc2ccc(I)cc2Cl)CC1 ZINC000600735241 566361478 /nfs/dbraw/zinc/36/14/78/566361478.db2.gz KXVDSTWFQNBUIK-LBPRGKRZSA-N 0 3 390.652 3.089 10 30 GGEEHN N#CC1(C[C@@H](O)CN[C@@H]2CCc3c2ccc(F)c3Br)CCOCC1 ZINC000600738262 566362330 /nfs/dbraw/zinc/36/23/30/566362330.db2.gz ZTQGXTZAHWZRCM-MLGOLLRUSA-N 0 3 397.288 3.236 10 30 GGEEHN C=CCN1CCC(NC(=O)[C@H]2CCOc3ccc(Br)cc32)CC1 ZINC000651273300 566505149 /nfs/dbraw/zinc/50/51/49/566505149.db2.gz ITDPKDAQIFHZAM-HNNXBMFYSA-N 0 3 379.298 3.082 10 30 GGEEHN C=C[C@@H]1OCC[C@H]1CNCc1c(Br)cncc1Br ZINC000424169128 566515942 /nfs/dbraw/zinc/51/59/42/566515942.db2.gz HIVPZUYMRHKLGS-ZANVPECISA-N 0 3 376.092 3.287 10 30 GGEEHN COC(=O)C[C@@](C)(NCCCSCC#N)c1ccc(Br)cc1 ZINC000513116594 566581569 /nfs/dbraw/zinc/58/15/69/566581569.db2.gz HXSDEZYCDDJTFP-MRXNPFEDSA-N 0 3 385.327 3.464 10 30 GGEEHN N#Cc1cnc2c(Br)cccc2c1NC[C@H]1CCCN1CCCO ZINC000450600285 566689699 /nfs/dbraw/zinc/68/96/99/566689699.db2.gz VHLHWYOQXSPLSL-CQSZACIVSA-N 0 3 389.297 3.128 10 30 GGEEHN C[C@@H]1C[C@@H](CN2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)CCO1 ZINC000488140068 566708470 /nfs/dbraw/zinc/70/84/70/566708470.db2.gz ZZTILJAPIPIYCQ-GJYPPUQNSA-N 0 3 392.341 3.446 10 30 GGEEHN C[C@@H]1C[C@@H](CN2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)CCO1 ZINC000488140073 566708560 /nfs/dbraw/zinc/70/85/60/566708560.db2.gz ZZTILJAPIPIYCQ-JTDSTZFVSA-N 0 3 392.341 3.446 10 30 GGEEHN C=C(C)CN1CCC(NC(=O)[C@H]2[C@@H]3c4ccc(Br)cc4C[C@H]23)CC1 ZINC000630942307 566765545 /nfs/dbraw/zinc/76/55/45/566765545.db2.gz IREYTCUXHSSEKX-IPMKNSEASA-N 0 3 389.337 3.492 10 30 GGEEHN COC(C)(C)CCN1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000469788002 566814320 /nfs/dbraw/zinc/81/43/20/566814320.db2.gz SKSXIGYXNOJNIN-QGZVFWFLSA-N 0 3 380.330 3.446 10 30 GGEEHN C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H](CN)C(F)(F)F ZINC000655916291 566858995 /nfs/dbraw/zinc/85/89/95/566858995.db2.gz UYBIYFMMIJEHRM-GFCCVEGCSA-N 0 3 398.198 3.175 10 30 GGEEHN C=C(C)[C@H](CO)N1CCC(Oc2ccccc2I)CC1 ZINC000611237526 566904086 /nfs/dbraw/zinc/90/40/86/566904086.db2.gz MFMQEPFKBLOHHB-HNNXBMFYSA-N 0 3 387.261 3.071 10 30 GGEEHN C=CCN1CCC(NC(=O)N[C@@H]2[C@@H]3Cc4c(cccc4Br)[C@@H]32)CC1 ZINC000633041405 566930424 /nfs/dbraw/zinc/93/04/24/566930424.db2.gz NFUJDMYHKXTXST-BPQIPLTHSA-N 0 3 390.325 3.037 10 30 GGEEHN C=CCN1CCC(NC(=O)N[C@H]2[C@@H]3Cc4cc(Br)ccc4[C@@H]32)CC1 ZINC000633041661 566931036 /nfs/dbraw/zinc/93/10/36/566931036.db2.gz OATRISUYWKNHTA-SQNIBIBYSA-N 0 3 390.325 3.037 10 30 GGEEHN CN(C(C)(C)CN1CCCCCC1)S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000492290031 566932225 /nfs/dbraw/zinc/93/22/25/566932225.db2.gz FVKIYSGTBFNBMH-UHFFFAOYSA-N 0 3 383.945 3.487 10 30 GGEEHN CN(C)CCN(Cc1ccc(Br)cc1)C(=O)c1ccc(C#N)o1 ZINC000429822093 566952849 /nfs/dbraw/zinc/95/28/49/566952849.db2.gz GFGJYXKWJCTYJF-UHFFFAOYSA-N 0 3 376.254 3.118 10 30 GGEEHN C=CCOc1c(Br)cc(CN2CCNC[C@H]2C(F)F)cc1OC ZINC000564798272 567009767 /nfs/dbraw/zinc/00/97/67/567009767.db2.gz HXDYXENWJVAHAB-ZDUSSCGKSA-N 0 3 391.256 3.061 10 30 GGEEHN C[C@H](CNCCS(=O)(=O)c1cccc(C#N)c1)Oc1cccc(Cl)c1 ZINC000564853331 567014850 /nfs/dbraw/zinc/01/48/50/567014850.db2.gz BCIQATFZLLCDJR-CQSZACIVSA-N 0 3 378.881 3.042 10 30 GGEEHN C[C@@H](CNCCS(=O)(=O)c1cccc(C#N)c1)Oc1cccc(Cl)c1 ZINC000564853328 567015042 /nfs/dbraw/zinc/01/50/42/567015042.db2.gz BCIQATFZLLCDJR-AWEZNQCLSA-N 0 3 378.881 3.042 10 30 GGEEHN C=CCOc1c(Br)cc(CN[C@H]2C[C@H](O)C23CCC3)cc1OC ZINC000657701910 567086330 /nfs/dbraw/zinc/08/63/30/567086330.db2.gz BKPMTDYPJQOSOT-HOTGVXAUSA-N 0 3 382.298 3.416 10 30 GGEEHN CN1CCC[C@@H](N2CCN(c3c(Br)cc(Cl)cc3C#N)CC2)C1 ZINC000587979596 567106575 /nfs/dbraw/zinc/10/65/75/567106575.db2.gz PRTCKEGUOVZWOO-OAHLLOKOSA-N 0 3 397.748 3.190 10 30 GGEEHN CO[C@H]1C[C@@H](CN(C)c2c(C#N)cnc3c(Br)cccc32)N(C)C1 ZINC000588057137 567111327 /nfs/dbraw/zinc/11/13/27/567111327.db2.gz RNBLLNDVSZGXAW-KBPBESRZSA-N 0 3 389.297 3.024 10 30 GGEEHN CCN(CC)CCN(Cc1cccs1)S(=O)(=O)CC1(C#N)CCCC1 ZINC000546797747 567159571 /nfs/dbraw/zinc/15/95/71/567159571.db2.gz BFTPESHAYKNMRX-UHFFFAOYSA-N 0 3 383.583 3.306 10 30 GGEEHN C=CCN1CCC(NC(=O)N2Cc3ccc(C)c(Br)c3C2)CC1 ZINC000660703776 567321226 /nfs/dbraw/zinc/32/12/26/567321226.db2.gz GNZJFALDFGDMOC-UHFFFAOYSA-N 0 3 378.314 3.433 10 30 GGEEHN C=CC[C@H]1CCCC[C@H]1NCC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC000661117618 567349491 /nfs/dbraw/zinc/34/94/91/567349491.db2.gz SOPNYAFBUHOLKW-XJKSGUPXSA-N 0 3 384.929 3.407 10 30 GGEEHN CN1C[C@@H](CNC(=O)c2ccc(Br)cc2C#N)[C@H](c2ccccc2)C1 ZINC000592880316 567370969 /nfs/dbraw/zinc/37/09/69/567370969.db2.gz GSGIEJRQAUTPCW-APWZRJJASA-N 0 3 398.304 3.396 10 30 GGEEHN C=CCN1CCC(NC(=O)NCc2ccc(Br)c(F)c2F)CC1 ZINC000527768034 567373253 /nfs/dbraw/zinc/37/32/53/567373253.db2.gz CVWKLDWVCOPARI-UHFFFAOYSA-N 0 3 388.256 3.177 10 30 GGEEHN C[C@H](CNC(=O)Cc1ccc(Br)cc1C#N)N1CCCC[C@@H]1C ZINC000593027808 567379583 /nfs/dbraw/zinc/37/95/83/567379583.db2.gz FHYMTXUGWRIYHX-UONOGXRCSA-N 0 3 378.314 3.242 10 30 GGEEHN CN(C)CCN(C(=O)Cc1ccc(Br)cc1C#N)C1CCCC1 ZINC000593085206 567386011 /nfs/dbraw/zinc/38/60/11/567386011.db2.gz WHJHEDFXNHFUMQ-UHFFFAOYSA-N 0 3 378.314 3.196 10 30 GGEEHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)Cc1ccc(Br)cc1C#N ZINC000593420293 567411598 /nfs/dbraw/zinc/41/15/98/567411598.db2.gz LSJSRTVAEWCPSD-KGLIPLIRSA-N 0 3 378.314 3.100 10 30 GGEEHN C[C@@H](CNC(=O)Cc1ccc(Br)cc1C#N)N1CCC(C)CC1 ZINC000593421732 567412110 /nfs/dbraw/zinc/41/21/10/567412110.db2.gz CDFJTAPWLGLBRH-AWEZNQCLSA-N 0 3 378.314 3.100 10 30 GGEEHN CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)[C@@H](N)CCCCC#N ZINC000594430225 567474015 /nfs/dbraw/zinc/47/40/15/567474015.db2.gz XGHIULYRMMJIEJ-AWEZNQCLSA-N 0 3 385.295 3.192 10 30 GGEEHN N#CCCCC[C@@H](N)C(=O)Nc1nnc(SCc2ccc(F)cc2)s1 ZINC000594427730 567474792 /nfs/dbraw/zinc/47/47/92/567474792.db2.gz WGBFILXVBKUIJJ-CYBMUJFWSA-N 0 3 379.486 3.319 10 30 GGEEHN N#CCCCC[C@H](N)C(=O)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1 ZINC000594447560 567476036 /nfs/dbraw/zinc/47/60/36/567476036.db2.gz YRBCUNNQVOZIGT-ZBFHGGJFSA-N 0 3 383.323 3.490 10 30 GGEEHN CCN(CCOc1ccc(Br)cc1)C(=O)[C@@H](N)CCCCC#N ZINC000594433890 567476063 /nfs/dbraw/zinc/47/60/63/567476063.db2.gz UNQHXEHSDPHQIZ-INIZCTEOSA-N 0 3 382.302 3.088 10 30 GGEEHN N#CCCCC[C@@H](N)C(=O)NCc1cc(Br)ccc1OC(F)F ZINC000594438417 567476361 /nfs/dbraw/zinc/47/63/61/567476361.db2.gz NVLAJGSVLQSQFP-GFCCVEGCSA-N 0 3 390.228 3.078 10 30 GGEEHN CCOC(=O)c1sc2ccsc2c1CNC(=O)[C@@H](N)CCCCC#N ZINC000594434915 567476385 /nfs/dbraw/zinc/47/63/85/567476385.db2.gz WJAQNRVWFWLNDA-LBPRGKRZSA-N 0 3 379.507 3.167 10 30 GGEEHN Cc1cc(NC(=O)[C@H](N)CCCCC#N)nn1-c1ccc(Cl)c(Cl)c1 ZINC000594445311 567476406 /nfs/dbraw/zinc/47/64/06/567476406.db2.gz JHRHQYSJBARZKX-OAHLLOKOSA-N 0 3 380.279 3.259 10 30 GGEEHN C=C(C)CN1CCC(NC(=O)Cc2c(F)ccc(Br)c2F)CC1 ZINC000503307268 567479649 /nfs/dbraw/zinc/47/96/49/567479649.db2.gz AUFIOIFLWKBFRE-UHFFFAOYSA-N 0 3 387.268 3.427 10 30 GGEEHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2C[C@H]2c2ccsc2)cc1 ZINC000529083654 567484833 /nfs/dbraw/zinc/48/48/33/567484833.db2.gz VELBVOQSJPPFTK-XFBWCDHKSA-N 0 3 375.475 3.111 10 30 GGEEHN C=CCOc1c(Br)cc(CN2CC[C@@H](F)[C@H](N)C2)cc1OCC ZINC000663506959 567512611 /nfs/dbraw/zinc/51/26/11/567512611.db2.gz PTIFJBABQMPQSU-HUUCEWRRSA-N 0 3 387.293 3.284 10 30 GGEEHN C[C@@H]1[C@@H](c2ccc(Br)cc2)OCCN1C(=O)[C@@H](N)CCCCC#N ZINC000595970544 567595944 /nfs/dbraw/zinc/59/59/44/567595944.db2.gz XPYKZXJIXBPUAT-COXVUDFISA-N 0 3 394.313 3.149 10 30 GGEEHN CN(CCC#N)C[C@@H](O)CN[C@@H]1CCCCc2cc(Br)ccc21 ZINC000596066082 567607537 /nfs/dbraw/zinc/60/75/37/567607537.db2.gz MACWYWPPUZHSKL-FUHWJXTLSA-N 0 3 380.330 3.013 10 30 GGEEHN N#Cc1cnc2c(Br)cccc2c1NCCCN1CCC(O)CC1 ZINC000596086576 567608232 /nfs/dbraw/zinc/60/82/32/567608232.db2.gz RUBZBGOJOWAQKA-UHFFFAOYSA-N 0 3 389.297 3.128 10 30 GGEEHN N#Cc1cc(Br)ccc1NCc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000596422879 567631477 /nfs/dbraw/zinc/63/14/77/567631477.db2.gz IWMNLRRYECXVKU-SFHVURJKSA-N 0 3 386.293 3.499 10 30 GGEEHN CS[C@H]1CN(c2c(C#N)cnc3c(Br)cccc32)C[C@@H]1N(C)C ZINC000440663852 567638249 /nfs/dbraw/zinc/63/82/49/567638249.db2.gz OKTVWVIISJPGDO-GJZGRUSLSA-N 0 3 391.338 3.351 10 30 GGEEHN C=CCOc1c(Br)cc(CNCCc2cn(C)cn2)cc1OCC ZINC000459671285 567648377 /nfs/dbraw/zinc/64/83/77/567648377.db2.gz WHWZFAVCKFVRAN-UHFFFAOYSA-N 0 3 394.313 3.478 10 30 GGEEHN C[C@@H](CN1CCC(C)CC1)NC(=O)Cc1ccc(Br)cc1C#N ZINC000598263199 567751779 /nfs/dbraw/zinc/75/17/79/567751779.db2.gz QAQHOJYVPGMYSM-AWEZNQCLSA-N 0 3 378.314 3.100 10 30 GGEEHN C[C@H](CN1CCC(C)CC1)NC(=O)Cc1ccc(Br)cc1C#N ZINC000598263200 567752372 /nfs/dbraw/zinc/75/23/72/567752372.db2.gz QAQHOJYVPGMYSM-CQSZACIVSA-N 0 3 378.314 3.100 10 30 GGEEHN N#Cc1ccc(CN[C@]2(CO)CCc3cc(Br)ccc3C2)cc1F ZINC000598993003 567801605 /nfs/dbraw/zinc/80/16/05/567801605.db2.gz HKJYZYUWPVHIJH-LJQANCHMSA-N 0 3 389.268 3.469 10 30 GGEEHN CCC1(N2CCOCC2)CCN(c2ccc(C#N)cc2Br)CC1 ZINC000599183513 567809296 /nfs/dbraw/zinc/80/92/96/567809296.db2.gz QNFBQQITBVERCQ-UHFFFAOYSA-N 0 3 378.314 3.402 10 30 GGEEHN CCC1(N2CCOCC2)CCN(c2cccc(Br)c2C#N)CC1 ZINC000599183758 567809390 /nfs/dbraw/zinc/80/93/90/567809390.db2.gz TZBRFMJKRXNOJE-UHFFFAOYSA-N 0 3 378.314 3.402 10 30 GGEEHN N#Cc1cccc(COc2cccc(CNCc3cccnc3-n3cncn3)c2)c1 ZINC000047703611 570214033 /nfs/dbraw/zinc/21/40/33/570214033.db2.gz SPEYAILGZAPEMO-UHFFFAOYSA-N 0 3 396.454 3.403 10 30 GGEEHN O=C(Nc1ccc(Cl)cc1)[C@@H]1c2cccc[n+]2CC(=O)N1c1ccccc1[O-] ZINC000005006325 570394716 /nfs/dbraw/zinc/39/47/16/570394716.db2.gz ZQDVVEOJZBYMPU-FQEVSTJZSA-O 0 3 394.838 3.060 10 30 GGEEHN CCOC(=O)c1nc(N=NCc2ccc(OCCN(C)C)cc2)sc1C ZINC000252480140 570442845 /nfs/dbraw/zinc/44/28/45/570442845.db2.gz BWPRGFSOLZUNNY-XDHOZWIPSA-N 0 3 376.482 3.015 10 30 GGEEHN C[C@H](Cc1ccccc1F)NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000054623467 1406788946 /nfs/dbraw/zinc/78/89/46/1406788946.db2.gz CQKLVSYZBWDZJR-QGZVFWFLSA-N 0 3 382.483 3.402 10 30 GGEEHN CCOC(=O)N1CCC(N(CCN(C)C)C(=S)Nc2ccccc2C)CC1 ZINC000008683047 1398843725 /nfs/dbraw/zinc/84/37/25/1398843725.db2.gz LXOHVXHAURFSJT-UHFFFAOYSA-N 0 3 392.569 3.397 10 30 GGEEHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1C[C@H]1c1cccc(F)c1 ZINC000065507558 1408680889 /nfs/dbraw/zinc/68/08/89/1408680889.db2.gz GIBAEVVTJIZFIE-SFTDATJTSA-N 0 3 380.467 3.327 10 30 GGEEHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1C[C@@H]1c1cccc(F)c1 ZINC000067732187 1409216375 /nfs/dbraw/zinc/21/63/75/1409216375.db2.gz GIBAEVVTJIZFIE-NHCUHLMSSA-N 0 3 380.467 3.327 10 30 GGEEHN COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CCN(C2CCCCC2)CC1 ZINC000163124082 1424946602 /nfs/dbraw/zinc/94/66/02/1424946602.db2.gz CTKJCXBRUWGVAI-IBGZPJMESA-N 0 3 398.551 3.281 10 30 GGEEHN COc1cc(C#N)ccc1CN[C@](C)(CO)Cc1ccc(Br)cc1 ZINC001656294165 1126257526 /nfs/dbraw/zinc/25/75/26/1126257526.db2.gz TZIWIOGEEYDYGJ-IBGZPJMESA-N 0 3 389.293 3.413 10 30 GGEEHN Cc1nn(C)c2ncc(CN[C@H]3CCCN(c4ccc(C#N)cc4F)C3)cc12 ZINC000109351730 209164984 /nfs/dbraw/zinc/16/49/84/209164984.db2.gz QENOWHQFXWFMLE-KRWDZBQOSA-N 0 3 378.455 3.046 10 30 GGEEHN CCCCCCCCCC(=O)N(CCN(C)C)CC(=O)Nc1cc(C)on1 ZINC000102997767 519975783 /nfs/dbraw/zinc/97/57/83/519975783.db2.gz YHOKBNFOXYSSIF-UHFFFAOYSA-N 0 3 380.533 3.452 10 30 GGEEHN CCN(CC)S(=O)(=O)c1ccc(C(C#N)C(=O)c2ccc(C)c(C)c2)nc1 ZINC000058157922 520810271 /nfs/dbraw/zinc/81/02/71/520810271.db2.gz XJXVDRUDHLVFDV-SFHVURJKSA-N 0 3 385.489 3.219 10 30 GGEEHN CCCCS[C@@H](C)C(=O)C(C#N)c1ccc(S(=O)(=O)N(CC)CC)cn1 ZINC000058159230 520967947 /nfs/dbraw/zinc/96/79/47/520967947.db2.gz WMNWRDXXFFVZTF-HOCLYGCPSA-N 0 3 397.566 3.210 10 30 GGEEHN CS(=O)(=O)OC[C@H]1CN(Cc2ccccc2)CC[C@H]1c1ccc(F)cc1 ZINC000038345773 525231851 /nfs/dbraw/zinc/23/18/51/525231851.db2.gz ADWQMOLEYNRWBF-QUCCMNQESA-N 0 3 377.481 3.408 10 30 GGEEHN CS(=O)(=O)OC[C@H]1CN(Cc2ccccc2)CC[C@@H]1c1ccc(F)cc1 ZINC000097974005 525232188 /nfs/dbraw/zinc/23/21/88/525232188.db2.gz ADWQMOLEYNRWBF-UYAOXDASSA-N 0 3 377.481 3.408 10 30 GGEEHN N=C(N)NN=Cc1cc(Br)ccc1OCc1ccc(Cl)cc1 ZINC000006472284 564224323 /nfs/dbraw/zinc/22/43/23/564224323.db2.gz GIUBSOFBEXFZNZ-DNTJNYDQSA-N 0 3 381.661 3.498 10 30 GGEEHN Cc1ccc(C(=O)C(C(=S)[N-]C[C@H]2CCCO2)[n+]2ccc(C)cc2)s1 ZINC000027072677 564352516 /nfs/dbraw/zinc/35/25/16/564352516.db2.gz KWVBRHBBNOXJFI-OAHLLOKOSA-O 0 3 375.539 3.360 10 30 GGEEHN C[C@H](NC[C@H](O)COc1ccc(C#N)cc1)c1cccc(Br)c1 ZINC000028920357 564366162 /nfs/dbraw/zinc/36/61/62/564366162.db2.gz DLTKORMNMHZONG-GUYCJALGSA-N 0 3 375.266 3.411 10 30 GGEEHN CCCCNC(=O)C(C#N)C(=O)[C@H](C)Cc1ccc(F)c(Br)c1 ZINC000132701391 564751175 /nfs/dbraw/zinc/75/11/75/564751175.db2.gz JOZWGFITHOYPDP-YPMHNXCESA-N 0 3 383.261 3.392 10 30 GGEEHN N#Cc1cccc(OCCCN[C@@H](CO)c2cccc(Br)c2)c1 ZINC000183896729 565101868 /nfs/dbraw/zinc/10/18/68/565101868.db2.gz NRKBDWIECXDSTO-SFHVURJKSA-N 0 3 375.266 3.413 10 30 GGEEHN COc1cc(C#N)ccc1OCCN[C@@H](CO)c1cccc(Br)c1 ZINC000183911974 565102978 /nfs/dbraw/zinc/10/29/78/565102978.db2.gz FVSOWVWZMISFFB-INIZCTEOSA-N 0 3 391.265 3.031 10 30 GGEEHN C=CC[C@@H](CO)NCc1cc(Br)cc(Br)c1OC ZINC000184278408 565125318 /nfs/dbraw/zinc/12/53/18/565125318.db2.gz CSBLGDVFEFHCBZ-NSHDSACASA-N 0 3 379.092 3.247 10 30 GGEEHN C=CCN1CCC(NC(=O)N[C@@H](C)Cc2ccc(Br)cc2)CC1 ZINC000171717250 565447450 /nfs/dbraw/zinc/44/74/50/565447450.db2.gz PUDNDAFYINARDX-AWEZNQCLSA-N 0 3 380.330 3.330 10 30 GGEEHN N#Cc1ccc(N2CC[C@H](OCCN3CCCCC3)C2)c(Br)c1 ZINC000301864250 565515369 /nfs/dbraw/zinc/51/53/69/565515369.db2.gz MJTWOCDCHIQCRA-INIZCTEOSA-N 0 3 378.314 3.402 10 30 GGEEHN CCCc1cc[n+](C(C(=O)c2nccs2)C(=S)[N-]CCSC)cc1 ZINC000278156102 565543071 /nfs/dbraw/zinc/54/30/71/565543071.db2.gz BQRDDKUKNNWSCT-UHFFFAOYSA-O 0 3 380.584 3.275 10 30 GGEEHN Cc1ccsc1[C@@H](CO)NCCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000411570151 565736876 /nfs/dbraw/zinc/73/68/76/565736876.db2.gz OHTUSQZFCGLKOH-CQSZACIVSA-N 0 3 375.519 3.130 10 30 GGEEHN C=CCOc1c(Br)cc(CN[C@H]2CNCCC2(F)F)cc1OC ZINC000415003061 565969191 /nfs/dbraw/zinc/96/91/91/565969191.db2.gz OIICAVSGCYLHRE-AWEZNQCLSA-N 0 3 391.256 3.109 10 30 GGEEHN C=CCOc1c(Br)cc(CN[C@@H]2CNCCC2(F)F)cc1OC ZINC000415003065 565969901 /nfs/dbraw/zinc/96/99/01/565969901.db2.gz OIICAVSGCYLHRE-CQSZACIVSA-N 0 3 391.256 3.109 10 30 GGEEHN C=CCOc1ccc(Br)cc1NC(=O)N[C@H]1CNCCC1(F)F ZINC000415809828 566019728 /nfs/dbraw/zinc/01/97/28/566019728.db2.gz VWIVUGSWINJTLL-ZDUSSCGKSA-N 0 3 390.228 3.133 10 30 GGEEHN C=CCN1CCC(NC(=O)N[C@H]2CCOc3ccc(Br)cc32)CC1 ZINC000264361009 566212852 /nfs/dbraw/zinc/21/28/52/566212852.db2.gz DTIZZNBJQMOGOA-INIZCTEOSA-N 0 3 394.313 3.222 10 30 GGEEHN C[C@@H](NS(=O)(=O)c1ccc(Cl)c(C#N)c1)[C@H]1CCCN(C2CCC2)C1 ZINC000183018582 566235323 /nfs/dbraw/zinc/23/53/23/566235323.db2.gz QFLZGJVBFRKANJ-KGLIPLIRSA-N 0 3 381.929 3.143 10 30 GGEEHN CC(C)(NC[C@@H](O)CC1(C#N)CCOCC1)c1ccccc1Br ZINC000599353518 566254350 /nfs/dbraw/zinc/25/43/50/566254350.db2.gz IKQGVHOCKIACLH-AWEZNQCLSA-N 0 3 381.314 3.345 10 30 GGEEHN COc1ccc([C@H](C)NC[C@@H](O)CC2(C#N)CCOCC2)cc1Br ZINC000599351520 566254566 /nfs/dbraw/zinc/25/45/66/566254566.db2.gz ZDFHXLRTLMLEOL-ZFWWWQNUSA-N 0 3 397.313 3.180 10 30 GGEEHN N#CC1(C[C@@H](O)CNC2(c3ccc(Br)cc3)CC2)CCOCC1 ZINC000599349482 566254823 /nfs/dbraw/zinc/25/48/23/566254823.db2.gz OMFAOJFAQUWWMZ-MRXNPFEDSA-N 0 3 379.298 3.099 10 30 GGEEHN CC(C)(NC[C@H](O)CC1(C#N)CCOCC1)c1ccccc1Br ZINC000599353519 566255429 /nfs/dbraw/zinc/25/54/29/566255429.db2.gz IKQGVHOCKIACLH-CQSZACIVSA-N 0 3 381.314 3.345 10 30 GGEEHN COc1cc(Br)ccc1[C@H](C)NC[C@@H](O)CC1(C#N)CCOCC1 ZINC000599387583 566259633 /nfs/dbraw/zinc/25/96/33/566259633.db2.gz YHLGOPNWQPULNK-ZFWWWQNUSA-N 0 3 397.313 3.180 10 30 GGEEHN CN(Cc1ccc(Br)c(F)c1)C[C@H](O)CC1(C#N)CCOCC1 ZINC000599389276 566261730 /nfs/dbraw/zinc/26/17/30/566261730.db2.gz WZBKGCFSPMYYIX-CQSZACIVSA-N 0 3 385.277 3.091 10 30 GGEEHN N#CC1(C[C@@H](O)CN[C@@H](CCO)c2ccc(Cl)c(Cl)c2)CCOCC1 ZINC000599414589 566261784 /nfs/dbraw/zinc/26/17/84/566261784.db2.gz GRFQTQSOBMUDBR-PBHICJAKSA-N 0 3 387.307 3.078 10 30 GGEEHN N#CC1(C[C@H](O)CN[C@H](CCO)c2ccc(Cl)c(Cl)c2)CCOCC1 ZINC000599414596 566262086 /nfs/dbraw/zinc/26/20/86/566262086.db2.gz GRFQTQSOBMUDBR-WMLDXEAASA-N 0 3 387.307 3.078 10 30 GGEEHN C[C@H](NC[C@H](O)CC1(C#N)CCOCC1)c1ccc(Br)cc1F ZINC000599417046 566263886 /nfs/dbraw/zinc/26/38/86/566263886.db2.gz QAAOXMATBGXPBP-GXTWGEPZSA-N 0 3 385.277 3.310 10 30 GGEEHN N#CC1(C[C@H](O)CN2CC[C@H](c3cccc(Br)c3)C2)CCOCC1 ZINC000599433854 566266041 /nfs/dbraw/zinc/26/60/41/566266041.db2.gz LQZQKANDVLNYOJ-WMZOPIPTSA-N 0 3 393.325 3.310 10 30 GGEEHN N#CC1(C[C@H](O)CNC2(c3ccccc3Br)CCC2)CCOCC1 ZINC000599452942 566266240 /nfs/dbraw/zinc/26/62/40/566266240.db2.gz ZYAUGAJOHJIDAH-HNNXBMFYSA-N 0 3 393.325 3.489 10 30 GGEEHN N#Cc1cccc(CN[C@@]2(CO)CCc3cc(Br)ccc3C2)c1F ZINC000599573831 566275661 /nfs/dbraw/zinc/27/56/61/566275661.db2.gz ZNRBUOJMGFCHLG-IBGZPJMESA-N 0 3 389.268 3.469 10 30 GGEEHN C=CCN1CCC(NC(=O)[C@H]2[C@@H]3c4cccc(Br)c4C[C@H]23)CC1 ZINC000625320647 566306304 /nfs/dbraw/zinc/30/63/04/566306304.db2.gz CYWBTTLMPATJBT-CGTJXYLNSA-N 0 3 375.310 3.101 10 30 GGEEHN N#Cc1cc(Br)ccc1CC(=O)NC[C@@H]1CCN1C1CCCCC1 ZINC000600230011 566326945 /nfs/dbraw/zinc/32/69/45/566326945.db2.gz NTKNYDPJTQYZEU-SFHVURJKSA-N 0 3 390.325 3.386 10 30 GGEEHN Cc1nc(-c2ccc(CNC[C@@H](O)CC3(C#N)CCOCC3)s2)cs1 ZINC000600715019 566358501 /nfs/dbraw/zinc/35/85/01/566358501.db2.gz QTHZWZWQBIRYOS-AWEZNQCLSA-N 0 3 377.535 3.341 10 30 GGEEHN N#CC1(C[C@@H](O)CNCc2ccc(Br)cc2Cl)CCOCC1 ZINC000600721010 566359377 /nfs/dbraw/zinc/35/93/77/566359377.db2.gz JTTMRZXSAJNPKC-CQSZACIVSA-N 0 3 387.705 3.263 10 30 GGEEHN Cc1nc(-c2ccc(CNC[C@H](O)CC3(C#N)CCOCC3)s2)cs1 ZINC000600715035 566359715 /nfs/dbraw/zinc/35/97/15/566359715.db2.gz QTHZWZWQBIRYOS-CQSZACIVSA-N 0 3 377.535 3.341 10 30 GGEEHN N#CC1(C[C@@H](O)CN[C@@H]2CCCN(c3ccc(Cl)cc3Cl)C2=O)CC1 ZINC000600733236 566360506 /nfs/dbraw/zinc/36/05/06/566360506.db2.gz HZYMTRBIAIEFCC-UKRRQHHQSA-N 0 3 382.291 3.133 10 30 GGEEHN N#CC1(C[C@@H](O)CNCc2cc(Cl)cc(Br)c2)CCOCC1 ZINC000600735223 566361461 /nfs/dbraw/zinc/36/14/61/566361461.db2.gz IWSIHCCGWAYQTR-OAHLLOKOSA-N 0 3 387.705 3.263 10 30 GGEEHN N#CC1(C[C@H](O)CN[C@H]2CCc3c2ccc(F)c3Br)CCOCC1 ZINC000600738259 566362312 /nfs/dbraw/zinc/36/23/12/566362312.db2.gz ZTQGXTZAHWZRCM-LRDDRELGSA-N 0 3 397.288 3.236 10 30 GGEEHN N#CC1(C[C@H](O)CNCc2cc(Cl)cc(I)c2)CC1 ZINC000600739557 566362961 /nfs/dbraw/zinc/36/29/61/566362961.db2.gz QIKLAVQBTRGTGB-ZDUSSCGKSA-N 0 3 390.652 3.089 10 30 GGEEHN C[C@](CO)(NCCOc1ccc(C#N)cc1)c1ccc(Br)cc1 ZINC000511604257 566475480 /nfs/dbraw/zinc/47/54/80/566475480.db2.gz FDJLHKWMYDRCDQ-GOSISDBHSA-N 0 3 375.266 3.197 10 30 GGEEHN C=CCN1CCC(NC(=O)C(=O)Nc2cc(Cl)c(Cl)c(Cl)c2)CC1 ZINC000578634039 566541071 /nfs/dbraw/zinc/54/10/71/566541071.db2.gz IPYVMYWPMYTAQU-UHFFFAOYSA-N 0 3 390.698 3.352 10 30 GGEEHN C=CCOc1c(Br)cc(CN[C@H](C(=O)NC)C(C)C)cc1OCC ZINC000486803631 566623656 /nfs/dbraw/zinc/62/36/56/566623656.db2.gz ZZFQAAIEPBFSIL-INIZCTEOSA-N 0 3 399.329 3.273 10 30 GGEEHN CC(C)N(CCN1CCCCCC1)S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000561552716 566719814 /nfs/dbraw/zinc/71/98/14/566719814.db2.gz AUGLDKQZPMUTOC-UHFFFAOYSA-N 0 3 383.945 3.487 10 30 GGEEHN C=CCOc1c(Br)cc(CN2CCNC[C@@](C)(F)C2)cc1OC ZINC000580893098 566733416 /nfs/dbraw/zinc/73/34/16/566733416.db2.gz OBFGRBAQFUWDFJ-QGZVFWFLSA-N 0 3 387.293 3.156 10 30 GGEEHN C=CCOc1c(Br)cc(CNCC[C@@H](O)C(F)F)cc1OC ZINC000631218173 566793634 /nfs/dbraw/zinc/79/36/34/566793634.db2.gz BXOIYMJZZHKVOY-GFCCVEGCSA-N 0 3 380.229 3.128 10 30 GGEEHN COc1cc(CNC[C@@H](O)COc2ccc(Cl)cc2Cl)ccc1C#N ZINC000517924895 566854438 /nfs/dbraw/zinc/85/44/38/566854438.db2.gz DMUFKXHWFONFNR-OAHLLOKOSA-N 0 3 381.259 3.403 10 30 GGEEHN [NH3+]C[C@@H]([N-]C(=O)N[C@H](c1ccc(F)c(Cl)c1)C(F)(F)F)C(F)(F)F ZINC000655929928 566860743 /nfs/dbraw/zinc/86/07/43/566860743.db2.gz XUWCEYJNGSGKHU-RKDXNWHRSA-N 0 3 381.679 3.271 10 30 GGEEHN C=C(C)CN1CCC(NC(=O)Nc2cc(OC)c(Br)cn2)CC1 ZINC000680369020 566904098 /nfs/dbraw/zinc/90/40/98/566904098.db2.gz XZQULYIDNNNDJS-UHFFFAOYSA-N 0 3 383.290 3.015 10 30 GGEEHN C=CC[C@H](CO)NCc1cc(Br)ccc1OCc1ccccn1 ZINC000680484570 566912779 /nfs/dbraw/zinc/91/27/79/566912779.db2.gz MQZHIQFCSUYKMY-MRXNPFEDSA-N 0 3 377.282 3.450 10 30 GGEEHN N#Cc1ccc(OCCNC[C@H](O)COc2ccc(Cl)cc2Cl)cc1 ZINC000584108406 567013860 /nfs/dbraw/zinc/01/38/60/567013860.db2.gz BXTKUTPJWMRHEB-HNNXBMFYSA-N 0 3 381.259 3.273 10 30 GGEEHN C=CCOc1c(Br)cc(CNC2(CC(=O)OC)CC2)cc1OC ZINC000565084743 567038273 /nfs/dbraw/zinc/03/82/73/567038273.db2.gz FJFSVTCFQYRRPW-UHFFFAOYSA-N 0 3 384.270 3.208 10 30 GGEEHN C[C@@H](Cn1cc(Br)ccc1=O)NCc1ccc(C#N)c(Cl)c1 ZINC000585726529 567082442 /nfs/dbraw/zinc/08/24/42/567082442.db2.gz PRPWDWJCFIGYKT-NSHDSACASA-N 0 3 380.673 3.314 10 30 GGEEHN N#Cc1ccc(Br)c(CN[C@H](C2CCOCC2)C2(CO)CCC2)c1 ZINC000565888303 567108350 /nfs/dbraw/zinc/10/83/50/567108350.db2.gz UEAGGLVBVAULMR-GOSISDBHSA-N 0 3 393.325 3.368 10 30 GGEEHN N#CC1(CCCN(CCO)Cc2cc(Br)cs2)CCOCC1 ZINC000499736497 567269684 /nfs/dbraw/zinc/26/96/84/567269684.db2.gz VUZGSGBLCKCMSY-UHFFFAOYSA-N 0 3 387.343 3.405 10 30 GGEEHN CN(C)CCN(C)c1ccc(Br)cc1NC(=O)CC1(C#N)CC1 ZINC000591808575 567298098 /nfs/dbraw/zinc/29/80/98/567298098.db2.gz RDKWUALRQNIPJB-UHFFFAOYSA-N 0 3 379.302 3.079 10 30 GGEEHN C[C@@H](CNC(=O)Cc1ccc(Br)cc1C#N)N1CCCC[C@@H]1C ZINC000593027806 567379816 /nfs/dbraw/zinc/37/98/16/567379816.db2.gz FHYMTXUGWRIYHX-KBPBESRZSA-N 0 3 378.314 3.242 10 30 GGEEHN CCN(CC)CCN(C(=O)CC1(C#N)CC1)c1ccc(Br)cn1 ZINC000593143481 567390306 /nfs/dbraw/zinc/39/03/06/567390306.db2.gz KWASIJUDJRBHLU-UHFFFAOYSA-N 0 3 379.302 3.213 10 30 GGEEHN N#Cc1cc(Br)ccc1CC(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000593448094 567413741 /nfs/dbraw/zinc/41/37/41/567413741.db2.gz NURUCFWFZSOYLX-SFHVURJKSA-N 0 3 390.325 3.340 10 30 GGEEHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)Cc1ccc(Br)cc1C#N ZINC000593459950 567415184 /nfs/dbraw/zinc/41/51/84/567415184.db2.gz XEWOYQLOQLWOTE-OKILXGFUSA-N 0 3 378.314 3.242 10 30 GGEEHN C[C@H]1CCC[C@H](C)N1CCNC(=O)Cc1ccc(Br)cc1C#N ZINC000593459949 567415723 /nfs/dbraw/zinc/41/57/23/567415723.db2.gz XEWOYQLOQLWOTE-KBPBESRZSA-N 0 3 378.314 3.242 10 30 GGEEHN N#CC1(C[C@@H](O)CN2CCC(Oc3cccc(Br)c3)CC2)CC1 ZINC000528451693 567425080 /nfs/dbraw/zinc/42/50/80/567425080.db2.gz UTSJHAOYBQSSEK-OAHLLOKOSA-N 0 3 379.298 3.347 10 30 GGEEHN COC1CCN(CCNc2c(C#N)cnc3c(Br)cccc32)CC1 ZINC000619651397 567471160 /nfs/dbraw/zinc/47/11/60/567471160.db2.gz BMUHPHBLBGKEHP-UHFFFAOYSA-N 0 3 389.297 3.392 10 30 GGEEHN N#CCCCC[C@@H](N)C(=O)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000594424566 567473914 /nfs/dbraw/zinc/47/39/14/567473914.db2.gz BCAQTVTZULISGI-OAHLLOKOSA-N 0 3 390.285 3.044 10 30 GGEEHN N#CCCCC[C@@H](N)C(=O)Nc1ccnn1Cc1cccc(Br)c1 ZINC000594430004 567474110 /nfs/dbraw/zinc/47/41/10/567474110.db2.gz YULIRAOYJSKCQS-OAHLLOKOSA-N 0 3 390.285 3.044 10 30 GGEEHN N#CCCCC[C@H](N)C(=O)N(Cc1cc(Br)ccc1F)C1CC1 ZINC000594429396 567474288 /nfs/dbraw/zinc/47/42/88/567474288.db2.gz TUEHJTBLFIPXAR-INIZCTEOSA-N 0 3 382.277 3.490 10 30 GGEEHN N#CCCCC[C@H](N)C(=O)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000594424565 567474809 /nfs/dbraw/zinc/47/48/09/567474809.db2.gz BCAQTVTZULISGI-HNNXBMFYSA-N 0 3 390.285 3.044 10 30 GGEEHN C[C@H](CNC(=O)[C@@H](N)CCCCC#N)Sc1ccc(Br)cc1 ZINC000594433241 567475537 /nfs/dbraw/zinc/47/55/37/567475537.db2.gz DZYZMTZPHFZGFM-DOMZBBRYSA-N 0 3 384.343 3.457 10 30 GGEEHN N#CCCCC[C@@H](N)C(=O)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1 ZINC000594447558 567475623 /nfs/dbraw/zinc/47/56/23/567475623.db2.gz YRBCUNNQVOZIGT-GOEBONIOSA-N 0 3 383.323 3.490 10 30 GGEEHN Cc1cc(NC(=O)[C@H](N)CCCCC#N)nn1-c1ccc(Cl)cc1Cl ZINC000594444665 567475762 /nfs/dbraw/zinc/47/57/62/567475762.db2.gz BGUICWXPWZZYEO-CQSZACIVSA-N 0 3 380.279 3.259 10 30 GGEEHN N#CCCCC[C@H](N)C(=O)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000594434327 567475856 /nfs/dbraw/zinc/47/58/56/567475856.db2.gz NPMZBQDUXQPIDU-HOTGVXAUSA-N 0 3 388.270 3.444 10 30 GGEEHN N#CCCCC[C@H](N)C(=O)Nc1nccn1Cc1ccc(Br)cc1 ZINC000594445432 567476261 /nfs/dbraw/zinc/47/62/61/567476261.db2.gz FMBDTDKJZUAPIE-HNNXBMFYSA-N 0 3 390.285 3.044 10 30 GGEEHN N#CCCCC[C@H](N)C(=O)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1 ZINC000594447559 567476347 /nfs/dbraw/zinc/47/63/47/567476347.db2.gz YRBCUNNQVOZIGT-HOCLYGCPSA-N 0 3 383.323 3.490 10 30 GGEEHN CCOC(=O)c1sc2ccsc2c1CNC(=O)[C@H](N)CCCCC#N ZINC000594434914 567476368 /nfs/dbraw/zinc/47/63/68/567476368.db2.gz WJAQNRVWFWLNDA-GFCCVEGCSA-N 0 3 379.507 3.167 10 30 GGEEHN N#CCCCC[C@@H](N)C(=O)N1CCC(Oc2cccc(Br)c2)CC1 ZINC000594444955 567476396 /nfs/dbraw/zinc/47/63/96/567476396.db2.gz GPWZNZGSXGCJCA-QGZVFWFLSA-N 0 3 394.313 3.230 10 30 GGEEHN CCn1c2cc(Br)ccc2nc1NC(=O)[C@@H](N)CCCCC#N ZINC000594466656 567479396 /nfs/dbraw/zinc/47/93/96/567479396.db2.gz CEVTWEBTCOJNBJ-LBPRGKRZSA-N 0 3 378.274 3.168 10 30 GGEEHN N#Cc1cccc(S(=O)(=O)CCNCCCSc2ccc(F)cc2)c1 ZINC000570836213 567516965 /nfs/dbraw/zinc/51/69/65/567516965.db2.gz DXTDEKDDBHQAGE-UHFFFAOYSA-N 0 3 378.494 3.243 10 30 GGEEHN N#CCCCC[C@@H](N)C(=O)NCC1(Cc2ccc(Br)cc2)CC1 ZINC000595256793 567550420 /nfs/dbraw/zinc/55/04/20/567550420.db2.gz SLOVVWRZTLZLFO-MRXNPFEDSA-N 0 3 378.314 3.299 10 30 GGEEHN CCS(=O)(=O)N1CCC([C@H](C)N(C)CC#Cc2ccccc2Cl)CC1 ZINC000571918810 567599168 /nfs/dbraw/zinc/59/91/68/567599168.db2.gz FKDFAAWNYPKPJQ-INIZCTEOSA-N 0 3 382.957 3.074 10 30 GGEEHN N#Cc1ccc(NCc2ccc(CN3CC[C@@H](O)C3)cc2)c(Br)c1 ZINC000596423673 567632011 /nfs/dbraw/zinc/63/20/11/567632011.db2.gz NZNCQQOHDDTYDL-QGZVFWFLSA-N 0 3 386.293 3.499 10 30 GGEEHN CS[C@@H]1CN(c2c(C#N)cnc3c(Br)cccc32)C[C@@H]1N(C)C ZINC000440663856 567638572 /nfs/dbraw/zinc/63/85/72/567638572.db2.gz OKTVWVIISJPGDO-LSDHHAIUSA-N 0 3 391.338 3.351 10 30 GGEEHN CS[C@H]1CN(c2c(C#N)cnc3c(Br)cccc32)C[C@H]1N(C)C ZINC000440663849 567638798 /nfs/dbraw/zinc/63/87/98/567638798.db2.gz OKTVWVIISJPGDO-CABCVRRESA-N 0 3 391.338 3.351 10 30 GGEEHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCC(C)(C)C(F)(F)F)cc1 ZINC000554350185 567723039 /nfs/dbraw/zinc/72/30/39/567723039.db2.gz VWIIYBOGSZBPNO-JTQLQIEISA-N 0 3 377.388 3.082 10 30 GGEEHN C=CCOc1ccc(CNCCNS(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000533103710 567751708 /nfs/dbraw/zinc/75/17/08/567751708.db2.gz NYEJZZBANYEMKT-UHFFFAOYSA-N 0 3 386.926 3.034 10 30 GGEEHN CN(C)CCN(Cc1ccc(C#N)cc1)c1ncc(Br)cc1F ZINC000599057436 567804157 /nfs/dbraw/zinc/80/41/57/567804157.db2.gz PNFPZAFMJRXLJI-UHFFFAOYSA-N 0 3 377.261 3.423 10 30 GGEEHN N#CC1(C[C@@H](O)CN(Cc2cccc(Br)c2)C2CC2)CCOCC1 ZINC000599259922 567811946 /nfs/dbraw/zinc/81/19/46/567811946.db2.gz RVURYLDHXSGYJG-GOSISDBHSA-N 0 3 393.325 3.485 10 30 GGEEHN CN(CCC#N)c1ccc(CNCc2ccc(CN3CCOCC3)cc2)cc1 ZINC000023718084 570370051 /nfs/dbraw/zinc/37/00/51/570370051.db2.gz NLUHDIGMKURQKL-UHFFFAOYSA-N 0 3 378.520 3.158 10 30 GGEEHN CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(CCOc2ccc(CC#N)cc2)C1 ZINC000072304917 570515019 /nfs/dbraw/zinc/51/50/19/570515019.db2.gz XFMGYLCNNJKNSQ-KRWDZBQOSA-N 0 3 397.441 3.254 10 30 GGEEHN CN(Cc1ccccc1N1CCCCC1)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000025301792 570746654 /nfs/dbraw/zinc/74/66/54/570746654.db2.gz DVLIJZYQPYAYRM-OAQYLSRUSA-N 0 3 379.504 3.420 10 30 GGEEHN CN(Cc1ccccc1N1CCCCC1)C[C@H](O)COc1ccc(C#N)cc1 ZINC000025301795 570746727 /nfs/dbraw/zinc/74/67/27/570746727.db2.gz DVLIJZYQPYAYRM-NRFANRHFSA-N 0 3 379.504 3.420 10 30 GGEEHN N#Cc1ccc(NC2CCN(C(=O)c3cccc(CN4CCCC4)c3)CC2)nc1 ZINC000170597680 570854797 /nfs/dbraw/zinc/85/47/97/570854797.db2.gz MVWWNNAJFVPGAB-UHFFFAOYSA-N 0 3 389.503 3.266 10 30 GGEEHN C=CCN(Cc1ccccc1C)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000043076230 570925512 /nfs/dbraw/zinc/92/55/12/570925512.db2.gz IFHXLUHDEQRUES-QFIPXVFZSA-N 0 3 398.457 3.441 10 30 GGEEHN CCOC(=O)N1CCC(N(CCN(C)C)C(=S)Nc2cccc(C)c2)CC1 ZINC000008829948 1398847302 /nfs/dbraw/zinc/84/73/02/1398847302.db2.gz AGYGELDPYGJSKP-UHFFFAOYSA-N 0 3 392.569 3.397 10 30 GGEEHN C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCN(CCC(C)(C)C)CC1 ZINC000079216016 1409962757 /nfs/dbraw/zinc/96/27/57/1409962757.db2.gz DEVMBUQWRNRNHT-GSVIPDFHSA-N 0 3 376.589 3.360 10 30 GGEEHN C=CCn1c(CCN2CCCCC2)nnc1SCc1cccc(C(=O)NC)c1 ZINC000113925878 1412352962 /nfs/dbraw/zinc/35/29/62/1412352962.db2.gz FVGLOZPYYRXKMW-UHFFFAOYSA-N 0 3 399.564 3.144 10 30 GGEEHN Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)CN(C)CC2CCOCC2)c1C#N ZINC000155719614 1423503235 /nfs/dbraw/zinc/50/32/35/1423503235.db2.gz FBXLPKFKMMNHJZ-UHFFFAOYSA-N 0 3 398.482 3.402 10 30 GGEEHN C=C(C)COc1cc(CNCc2cccc(CS(C)(=O)=O)c2)ccc1OC ZINC000195017590 1433281307 /nfs/dbraw/zinc/28/13/07/1433281307.db2.gz DPCYVVHRBNZEJV-UHFFFAOYSA-N 0 3 389.517 3.485 10 30 GGEEHN C[C@@H](N[C@@H](C)c1ccc2c(c1)CC(=O)N2C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000271763883 1434848790 /nfs/dbraw/zinc/84/87/90/1434848790.db2.gz BRQIVRQGTYUFCT-GBXAEXGJSA-N 0 3 396.535 3.175 10 30 GGEEHN Cc1nn(C)c2ncc(CN[C@@H]3CCCN(c4ccc(C#N)cc4F)C3)cc12 ZINC000109351726 212098754 /nfs/dbraw/zinc/09/87/54/212098754.db2.gz QENOWHQFXWFMLE-QGZVFWFLSA-N 0 3 378.455 3.046 10 30 GGEEHN C#Cc1cccc(NC(=O)c2nnn(-c3cccc4c3CCN(CC)C4)c2C)c1 ZINC000069564872 518366156 /nfs/dbraw/zinc/36/61/56/518366156.db2.gz IHSCKWXLUDPTHM-UHFFFAOYSA-N 0 3 385.471 3.187 10 30 GGEEHN C=CCn1c(=O)oc2ccc(C(=O)NC3CCN(Cc4ccccc4)CC3)cc21 ZINC000035422113 519165366 /nfs/dbraw/zinc/16/53/66/519165366.db2.gz FZBZLKJORSEKOP-UHFFFAOYSA-N 0 3 391.471 3.175 10 30 GGEEHN CC[NH+](CC)CCn1cc([O-])c(-c2nc(-c3ccc(Cl)cc3)cs2)c1N ZINC000003261421 520662682 /nfs/dbraw/zinc/66/26/82/520662682.db2.gz BPWQYCAGYZQLNT-UHFFFAOYSA-N 0 3 390.940 3.317 10 30 GGEEHN CCCCS[C@H](C)C(=O)C(C#N)c1ccc(S(=O)(=O)N(CC)CC)cn1 ZINC000058159233 520975705 /nfs/dbraw/zinc/97/57/05/520975705.db2.gz WMNWRDXXFFVZTF-GDBMZVCRSA-N 0 3 397.566 3.210 10 30 GGEEHN CCCCS[C@H](C)C(=O)C(C#N)c1ccc(S(=O)(=O)N(CC)CC)cn1 ZINC000058159231 520976783 /nfs/dbraw/zinc/97/67/83/520976783.db2.gz WMNWRDXXFFVZTF-ZBFHGGJFSA-N 0 3 397.566 3.210 10 30 GGEEHN CN(Cc1cccc(C#N)c1)C[C@@H](O)COc1cccc(Br)c1 ZINC000027208067 564352886 /nfs/dbraw/zinc/35/28/86/564352886.db2.gz GCFJPAKTBOEODA-QGZVFWFLSA-N 0 3 375.266 3.192 10 30 GGEEHN O=C(c1cccc(Cl)c1)C(C(=S)[N-]C[C@H]1CCCO1)[n+]1ccccc1 ZINC000121284624 564362548 /nfs/dbraw/zinc/36/25/48/564362548.db2.gz IFQAAJLWKFKGPC-MRXNPFEDSA-O 0 3 375.901 3.335 10 30 GGEEHN O=C(c1ccc(Cl)s1)C(C(=S)[N-]C[C@@H]1CCCO1)[n+]1ccccc1 ZINC000028605939 564363366 /nfs/dbraw/zinc/36/33/66/564363366.db2.gz IMWMUTBHVSLOAB-LBPRGKRZSA-O 0 3 381.930 3.396 10 30 GGEEHN CN(Cc1ccc(C#N)cc1)C[C@@H](O)COc1cccc(Br)c1 ZINC000046835913 564509048 /nfs/dbraw/zinc/50/90/48/564509048.db2.gz CKPVZDSMLNJKAM-QGZVFWFLSA-N 0 3 375.266 3.192 10 30 GGEEHN C[C@@H]1C[C@@H](C)CN(C(C)(C)CNS(=O)(=O)c2ccc(Cl)c(C#N)c2)C1 ZINC000064957368 564737617 /nfs/dbraw/zinc/73/76/17/564737617.db2.gz RFYVDYPNLUUPRI-ZIAGYGMSSA-N 0 3 383.945 3.246 10 30 GGEEHN CCCCNC(=O)C(C#N)C(=O)[C@@H](C)Cc1ccc(F)c(Br)c1 ZINC000132701014 564750980 /nfs/dbraw/zinc/75/09/80/564750980.db2.gz JOZWGFITHOYPDP-AAEUAGOBSA-N 0 3 383.261 3.392 10 30 GGEEHN N#Cc1cc(Br)ccc1N1CC[C@H](OCCN2CCCCC2)C1 ZINC000302099528 565530661 /nfs/dbraw/zinc/53/06/61/565530661.db2.gz UNHADNBARJBPBQ-KRWDZBQOSA-N 0 3 378.314 3.402 10 30 GGEEHN C=CC[C@H](CO)NCc1cc(Br)c(OC)c(Br)c1 ZINC000320706454 565603081 /nfs/dbraw/zinc/60/30/81/565603081.db2.gz ZCJWWZBYMMPNBP-SNVBAGLBSA-N 0 3 379.092 3.247 10 30 GGEEHN CCC(=O)N1CSC[C@@H]1C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000329242630 565660880 /nfs/dbraw/zinc/66/08/80/565660880.db2.gz OLJDOXPBYNVVOA-OAHLLOKOSA-N 0 3 385.599 3.006 10 30 GGEEHN C=CCOc1ccc(CN[C@@H](C)Cn2cc(Br)ccc2=O)cc1 ZINC000414142579 565899299 /nfs/dbraw/zinc/89/92/99/565899299.db2.gz IWJHXXGXHIUKCE-AWEZNQCLSA-N 0 3 377.282 3.354 10 30 GGEEHN N#Cc1ccc2ncc(CN[C@@H]3CCN(c4ccc(Br)cc4)C3)n2c1 ZINC000181973970 566175314 /nfs/dbraw/zinc/17/53/14/566175314.db2.gz BLNVBICIAGVALJ-MRXNPFEDSA-N 0 3 396.292 3.337 10 30 GGEEHN N#Cc1ccc2ncc(CN[C@H]3CCN(c4ccc(Br)cc4)C3)n2c1 ZINC000181973949 566175348 /nfs/dbraw/zinc/17/53/48/566175348.db2.gz BLNVBICIAGVALJ-INIZCTEOSA-N 0 3 396.292 3.337 10 30 GGEEHN COc1ccc([C@H](C)NC[C@H](O)CC2(C#N)CCOCC2)cc1Br ZINC000599351517 566255256 /nfs/dbraw/zinc/25/52/56/566255256.db2.gz ZDFHXLRTLMLEOL-DZGCQCFKSA-N 0 3 397.313 3.180 10 30 GGEEHN C[C@@H](NC[C@H](O)CC1(C#N)CCOCC1)c1ccc(F)c(Br)c1 ZINC000599364475 566257236 /nfs/dbraw/zinc/25/72/36/566257236.db2.gz YQQNHDMPEBHXND-TZMCWYRMSA-N 0 3 385.277 3.310 10 30 GGEEHN Cc1cc(Br)ccc1CN(C)C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599384707 566260201 /nfs/dbraw/zinc/26/02/01/566260201.db2.gz COBBSHMBVQGVDU-KRWDZBQOSA-N 0 3 381.314 3.261 10 30 GGEEHN N#CC1(C[C@@H](O)CN[C@H](CCO)c2ccc(Cl)c(Cl)c2)CCOCC1 ZINC000599414595 566262339 /nfs/dbraw/zinc/26/23/39/566262339.db2.gz GRFQTQSOBMUDBR-RHSMWYFYSA-N 0 3 387.307 3.078 10 30 GGEEHN N#CC1(C[C@@H](O)CN2CC[C@H](c3cccc(Br)c3)C2)CCOCC1 ZINC000599433852 566266215 /nfs/dbraw/zinc/26/62/15/566266215.db2.gz LQZQKANDVLNYOJ-FUHWJXTLSA-N 0 3 393.325 3.310 10 30 GGEEHN N#Cc1cccc(CN[C@]2(CO)CCc3cc(Br)ccc3C2)c1F ZINC000599573832 566276239 /nfs/dbraw/zinc/27/62/39/566276239.db2.gz ZNRBUOJMGFCHLG-LJQANCHMSA-N 0 3 389.268 3.469 10 30 GGEEHN C[C@@H](C(=O)N(C)CCC#N)N1C[C@H](c2ccc(Br)cc2)C[C@H]1C ZINC000599652432 566284151 /nfs/dbraw/zinc/28/41/51/566284151.db2.gz MFWRJVKJEVMUBO-IJEWVQPXSA-N 0 3 378.314 3.387 10 30 GGEEHN CCC1(N2CCOCC2)CCN(Cc2ccc(Br)cc2C#N)CC1 ZINC000599664183 566284185 /nfs/dbraw/zinc/28/41/85/566284185.db2.gz ORQLTKLLNRGTES-UHFFFAOYSA-N 0 3 392.341 3.398 10 30 GGEEHN N#CC1(C[C@@H](O)CN[C@@H](CCO)c2cc(Cl)cc(Cl)c2)CCOCC1 ZINC000599685786 566285784 /nfs/dbraw/zinc/28/57/84/566285784.db2.gz YMFCDDVJRRERGH-SJORKVTESA-N 0 3 387.307 3.078 10 30 GGEEHN N#CC[C@@H]1CC[C@H](N[C@@H]2CCS(=O)(=O)c3ccc(Br)cc32)C1 ZINC000576109933 566315850 /nfs/dbraw/zinc/31/58/50/566315850.db2.gz RYPIPEKJFYXYEY-CORIIIEPSA-N 0 3 383.311 3.340 10 30 GGEEHN C=CCn1c(-c2ccc(Br)cc2)nnc1N1CCCN(CC)CC1 ZINC000576386954 566341960 /nfs/dbraw/zinc/34/19/60/566341960.db2.gz KQVQMRYJNGQJQB-UHFFFAOYSA-N 0 3 390.329 3.426 10 30 GGEEHN N#CC1(C[C@H](O)CNCc2cc(Br)ccc2Br)CC1 ZINC000600733937 566360727 /nfs/dbraw/zinc/36/07/27/566360727.db2.gz GSXISUGMEZSANW-LBPRGKRZSA-N 0 3 388.103 3.356 10 30 GGEEHN N#CC1(C[C@H](O)CN[C@H]2CCCN(c3ccc(Cl)cc3Cl)C2=O)CC1 ZINC000600733239 566360846 /nfs/dbraw/zinc/36/08/46/566360846.db2.gz HZYMTRBIAIEFCC-ZFWWWQNUSA-N 0 3 382.291 3.133 10 30 GGEEHN N#CC1(C[C@@H](O)CNCc2ccc(I)cc2Cl)CC1 ZINC000600735230 566361037 /nfs/dbraw/zinc/36/10/37/566361037.db2.gz KXVDSTWFQNBUIK-GFCCVEGCSA-N 0 3 390.652 3.089 10 30 GGEEHN N#CC1(C[C@@H](O)CNCc2cc(Br)ccc2Br)CC1 ZINC000600733928 566361140 /nfs/dbraw/zinc/36/11/40/566361140.db2.gz GSXISUGMEZSANW-GFCCVEGCSA-N 0 3 388.103 3.356 10 30 GGEEHN N#CC1(C[C@@H](O)CNCc2cc(Br)ccc2OC(F)F)CC1 ZINC000600723432 566361161 /nfs/dbraw/zinc/36/11/61/566361161.db2.gz OGSJENOVYOEQDI-GFCCVEGCSA-N 0 3 375.213 3.195 10 30 GGEEHN N#CC1(C[C@H](O)CNCc2cc(Br)ccc2OC(F)F)CC1 ZINC000600723433 566361287 /nfs/dbraw/zinc/36/12/87/566361287.db2.gz OGSJENOVYOEQDI-LBPRGKRZSA-N 0 3 375.213 3.195 10 30 GGEEHN C[C@@](CO)(NCCOc1ccccc1C#N)c1ccc(Br)cc1 ZINC000511622768 566477139 /nfs/dbraw/zinc/47/71/39/566477139.db2.gz LJWVINWEYFAAER-SFHVURJKSA-N 0 3 375.266 3.197 10 30 GGEEHN C=CCN1CCC(NC(=O)N2CCc3cc(Br)cc(C)c3C2)CC1 ZINC000540327246 566645825 /nfs/dbraw/zinc/64/58/25/566645825.db2.gz PGTFVTGCAFUPMD-UHFFFAOYSA-N 0 3 392.341 3.476 10 30 GGEEHN N#Cc1cnc2c(Br)cccc2c1NC[C@@H]1CCCN1CCCO ZINC000450600284 566689431 /nfs/dbraw/zinc/68/94/31/566689431.db2.gz VHLHWYOQXSPLSL-AWEZNQCLSA-N 0 3 389.297 3.128 10 30 GGEEHN C[C@@H]1C[C@H](CN2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)CCO1 ZINC000488140072 566708827 /nfs/dbraw/zinc/70/88/27/566708827.db2.gz ZZTILJAPIPIYCQ-GPMSIDNRSA-N 0 3 392.341 3.446 10 30 GGEEHN C=CCN1CCC(NC(=O)[C@@H]2[C@@H]3Cc4cc(Br)ccc4[C@@H]32)CC1 ZINC000630943406 566766012 /nfs/dbraw/zinc/76/60/12/566766012.db2.gz PGPLLDYWHFOEMU-FGTMMUONSA-N 0 3 375.310 3.101 10 30 GGEEHN [NH3+]C[C@H]([N-]C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)C(F)(F)F ZINC000655910860 566859133 /nfs/dbraw/zinc/85/91/33/566859133.db2.gz DAXWGYFLKSNLNP-JKMUOGBPSA-N 0 3 389.262 3.085 10 30 GGEEHN [NH3+]C[C@@H]([N-]C(=O)N[C@H]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)C(F)(F)F ZINC000655910862 566859565 /nfs/dbraw/zinc/85/95/65/566859565.db2.gz DAXWGYFLKSNLNP-VGRMVHKJSA-N 0 3 389.262 3.085 10 30 GGEEHN C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H](CN)C(F)(F)F ZINC000655916292 566859760 /nfs/dbraw/zinc/85/97/60/566859760.db2.gz UYBIYFMMIJEHRM-LBPRGKRZSA-N 0 3 398.198 3.175 10 30 GGEEHN [NH3+]C[C@H]([N-]C(=O)N[C@H](c1ccc(F)c(Cl)c1)C(F)(F)F)C(F)(F)F ZINC000655929926 566861617 /nfs/dbraw/zinc/86/16/17/566861617.db2.gz XUWCEYJNGSGKHU-DTWKUNHWSA-N 0 3 381.679 3.271 10 30 GGEEHN C[C@H](CNCCS(=O)(=O)c1cccc(C#N)c1)Oc1ccc(Cl)cc1 ZINC000563529285 566891297 /nfs/dbraw/zinc/89/12/97/566891297.db2.gz YBXGJDXMELUAAW-CQSZACIVSA-N 0 3 378.881 3.042 10 30 GGEEHN C=CCn1c(-c2cccc(Br)c2)nnc1N1CCCN(CC)CC1 ZINC000518621413 566897454 /nfs/dbraw/zinc/89/74/54/566897454.db2.gz QNRZUQZVEXJJPU-UHFFFAOYSA-N 0 3 390.329 3.426 10 30 GGEEHN N#Cc1ccc(CC(C#N)C(=O)NCc2cc(F)cc(Br)c2)cc1 ZINC000470835356 566907381 /nfs/dbraw/zinc/90/73/81/566907381.db2.gz GOQNBEGNYSNVGF-HNNXBMFYSA-N 0 3 386.224 3.459 10 30 GGEEHN Cc1nc(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)sc1Br ZINC000452397935 566975331 /nfs/dbraw/zinc/97/53/31/566975331.db2.gz LSKPZJWRFXUUFQ-ZDUSSCGKSA-N 0 3 389.278 3.084 10 30 GGEEHN C=CCOc1c(Br)cc(CN2CCNC[C@@H]2C(F)F)cc1OC ZINC000564798268 567009477 /nfs/dbraw/zinc/00/94/77/567009477.db2.gz HXDYXENWJVAHAB-CYBMUJFWSA-N 0 3 391.256 3.061 10 30 GGEEHN CC[C@@H]1CCCN(C(C)(C)CNS(=O)(=O)c2ccc(Cl)c(C#N)c2)C1 ZINC000521171190 567045350 /nfs/dbraw/zinc/04/53/50/567045350.db2.gz BNDQMVRAWHZUQK-CQSZACIVSA-N 0 3 383.945 3.391 10 30 GGEEHN COc1cc(CNC[C@H](O)COc2cc(Cl)ccc2Cl)ccc1C#N ZINC000566131231 567130176 /nfs/dbraw/zinc/13/01/76/567130176.db2.gz WRWDQTACANYOGD-HNNXBMFYSA-N 0 3 381.259 3.403 10 30 GGEEHN [NH3+]C[C@@H]([N-]C(=O)NC(CCC(F)(F)F)CCC(F)(F)F)C(F)(F)F ZINC000659024796 567179066 /nfs/dbraw/zinc/17/90/66/567179066.db2.gz JUCBCDOTGOOZCS-SSDOTTSWSA-N 0 3 377.251 3.229 10 30 GGEEHN C=CCOc1c(Br)cc(CNC2(CC(N)=O)CCC2)cc1OCC ZINC000475097990 567226392 /nfs/dbraw/zinc/22/63/92/567226392.db2.gz ANNKNIYDGGAGEF-UHFFFAOYSA-N 0 3 397.313 3.300 10 30 GGEEHN N#Cc1ccc(OCCNC[C@H](O)COc2c(Cl)cccc2Cl)cc1 ZINC000567606058 567261369 /nfs/dbraw/zinc/26/13/69/567261369.db2.gz SLBJNZVPTBCRGL-AWEZNQCLSA-N 0 3 381.259 3.273 10 30 GGEEHN C[C@@H](CNCCS(=O)(=O)c1cccc(C#N)c1)Oc1ccccc1Cl ZINC000567690937 567268903 /nfs/dbraw/zinc/26/89/03/567268903.db2.gz MFSQTMDEVMBSRA-AWEZNQCLSA-N 0 3 378.881 3.042 10 30 GGEEHN C=CCN1CCC(NC(=O)N[C@@H]2CCc3cc(Br)ccc32)CC1 ZINC000592504250 567342406 /nfs/dbraw/zinc/34/24/06/567342406.db2.gz URTQSJJUMCXQGQ-QGZVFWFLSA-N 0 3 378.314 3.386 10 30 GGEEHN C=CC[C@@H]1CCCC[C@@H]1NCC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC000661117616 567349920 /nfs/dbraw/zinc/34/99/20/567349920.db2.gz SOPNYAFBUHOLKW-CJNGLKHVSA-N 0 3 384.929 3.407 10 30 GGEEHN C=CC[C@@H]1CCCC[C@H]1NCC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC000661117617 567349961 /nfs/dbraw/zinc/34/99/61/567349961.db2.gz SOPNYAFBUHOLKW-CZUORRHYSA-N 0 3 384.929 3.407 10 30 GGEEHN CN(C)CCN(Cc1ccco1)C(=O)Cc1ccc(Br)cc1C#N ZINC000593088928 567385844 /nfs/dbraw/zinc/38/58/44/567385844.db2.gz NOYRAIHFMZESKG-UHFFFAOYSA-N 0 3 390.281 3.047 10 30 GGEEHN CCCN(CCN1CCCC1)C(=O)Cc1ccc(Br)cc1C#N ZINC000593153470 567391718 /nfs/dbraw/zinc/39/17/18/567391718.db2.gz NFHLLBZFFOIYML-UHFFFAOYSA-N 0 3 378.314 3.198 10 30 GGEEHN CN(C)Cc1ccccc1CNC(=O)Cc1ccc(Br)cc1C#N ZINC000593391160 567410269 /nfs/dbraw/zinc/41/02/69/567410269.db2.gz JVAFNFRCLUOAAZ-UHFFFAOYSA-N 0 3 386.293 3.241 10 30 GGEEHN C=C(C)CN1CCC(NC(=O)Nc2cnc3c(Br)cccn23)CC1 ZINC000436482277 567427233 /nfs/dbraw/zinc/42/72/33/567427233.db2.gz ABSWHNBYRGLKPZ-UHFFFAOYSA-N 0 3 392.301 3.259 10 30 GGEEHN Cc1cc(NC(=O)[C@@H](N)CCCCC#N)nn1-c1ccc(Cl)c(Cl)c1 ZINC000594445310 567475904 /nfs/dbraw/zinc/47/59/04/567475904.db2.gz JHRHQYSJBARZKX-HNNXBMFYSA-N 0 3 380.279 3.259 10 30 GGEEHN CC(C)(C#N)c1ccc(CNCCNS(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000594505197 567482441 /nfs/dbraw/zinc/48/24/41/567482441.db2.gz QAWMHMKVCMPWAD-UHFFFAOYSA-N 0 3 397.953 3.271 10 30 GGEEHN N#Cc1ccc(NC(=O)NC[C@H]2CCN2C2CCCC2)cc1Br ZINC000529095889 567486389 /nfs/dbraw/zinc/48/63/89/567486389.db2.gz WRXHEPRDECWKJQ-OAHLLOKOSA-N 0 3 377.286 3.459 10 30 GGEEHN N#CCCCC[C@H](N)C(=O)NCC1(Cc2ccc(Br)cc2)CC1 ZINC000595256792 567549737 /nfs/dbraw/zinc/54/97/37/567549737.db2.gz SLOVVWRZTLZLFO-INIZCTEOSA-N 0 3 378.314 3.299 10 30 GGEEHN C=CCOc1c(Br)cc(CNCC[C@@H](O)C(F)(F)F)cc1OC ZINC000571448477 567564018 /nfs/dbraw/zinc/56/40/18/567564018.db2.gz IQJAIQJLVNEXGI-CYBMUJFWSA-N 0 3 398.219 3.425 10 30 GGEEHN C=CCCSCCNC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000595594552 567572602 /nfs/dbraw/zinc/57/26/02/567572602.db2.gz FYGPXIGBFAWOHY-UHFFFAOYSA-N 0 3 379.492 3.400 10 30 GGEEHN CN(C)CCN1CCC(Nc2c(Br)cc(Cl)cc2C#N)CC1 ZINC000552940636 567617230 /nfs/dbraw/zinc/61/72/30/567617230.db2.gz DTOGRJWVGJEGKH-UHFFFAOYSA-N 0 3 385.737 3.412 10 30 GGEEHN COCCN1CCC(Nc2c(C#N)cnc3c(Br)cccc32)CC1 ZINC000440659690 567638546 /nfs/dbraw/zinc/63/85/46/567638546.db2.gz MJESTOUWIHKLLZ-UHFFFAOYSA-N 0 3 389.297 3.392 10 30 GGEEHN C=CCOc1c(Br)cc(CNCCc2cn(C)cn2)cc1OC ZINC000459665526 567648841 /nfs/dbraw/zinc/64/88/41/567648841.db2.gz QJQZYFQEDHUYIW-UHFFFAOYSA-N 0 3 380.286 3.088 10 30 GGEEHN CN(C)CCN(Cc1ccc(C#N)cc1)Cc1c(F)cncc1Br ZINC000597127650 567684228 /nfs/dbraw/zinc/68/42/28/567684228.db2.gz PWUVXLPDPZKBSW-UHFFFAOYSA-N 0 3 391.288 3.419 10 30 GGEEHN C[C@@H](CC#N)C(=O)N(Cc1ccccc1Br)C1CCN(C)CC1 ZINC000597662186 567710401 /nfs/dbraw/zinc/71/04/01/567710401.db2.gz JSDJWOHGYYCRIU-AWEZNQCLSA-N 0 3 378.314 3.422 10 30 GGEEHN N#CC(C(=O)CCS(=O)(=O)c1ccccc1Cl)c1nc2ccccc2[nH]1 ZINC000006134869 570276056 /nfs/dbraw/zinc/27/60/56/570276056.db2.gz UQUQAOFEBNUBHH-LBPRGKRZSA-N 0 3 387.848 3.257 10 30 GGEEHN C=CCn1c(CCN2CCCCC2)nnc1SCC(=O)NC1CCCCC1 ZINC000032777036 570799401 /nfs/dbraw/zinc/79/94/01/570799401.db2.gz FEJPKKSXVJUIGH-UHFFFAOYSA-N 0 3 391.585 3.034 10 30 GGEEHN O=C(NCCNCc1ccc(Sc2ccccc2)cc1)C1N=CC=CC1=O ZINC000157371875 1423996667 /nfs/dbraw/zinc/99/66/67/1423996667.db2.gz DBBVGRPBJZEVDW-QZQOTICOSA-N 0 3 379.485 3.454 10 30 GGEEHN C#CCOc1ccc(Br)cc1CN[C@H](CO)Cc1ccccc1C ZINC001656098223 1126256608 /nfs/dbraw/zinc/25/66/08/1126256608.db2.gz BPICFNQGNGHUSM-IBGZPJMESA-N 0 3 388.305 3.463 10 30 GGEEHN C#CCOc1ccc(Br)cc1CN[C@@H](CO)Cc1ccc(C)cc1 ZINC001656091209 1126256621 /nfs/dbraw/zinc/25/66/21/1126256621.db2.gz KPINXDVAFDJVAK-LJQANCHMSA-N 0 3 388.305 3.463 10 30 GGEEHN N#CC(C(=O)CCS(=O)(=O)c1ccccc1Cl)c1nc2ccccc2[nH]1 ZINC000006134873 204167231 /nfs/dbraw/zinc/16/72/31/204167231.db2.gz UQUQAOFEBNUBHH-GFCCVEGCSA-N 0 3 387.848 3.257 10 30 GGEEHN Cc1ccc(C(=O)C(C(=S)[N-]C[C@@H]2CCCO2)[n+]2ccc(C)cc2)s1 ZINC000027072670 564352952 /nfs/dbraw/zinc/35/29/52/564352952.db2.gz KWVBRHBBNOXJFI-HNNXBMFYSA-O 0 3 375.539 3.360 10 30 GGEEHN C[C@@H](NC[C@H](O)COc1ccc(C#N)cc1)c1cccc(Br)c1 ZINC000028920356 564365903 /nfs/dbraw/zinc/36/59/03/564365903.db2.gz DLTKORMNMHZONG-DYVFJYSZSA-N 0 3 375.266 3.411 10 30 GGEEHN C[C@H](NC[C@@H](O)COc1ccc(C#N)cc1)c1cccc(Br)c1 ZINC000028920355 564365933 /nfs/dbraw/zinc/36/59/33/564365933.db2.gz DLTKORMNMHZONG-SUMWQHHRSA-N 0 3 375.266 3.411 10 30 GGEEHN C[C@@H](NC[C@@H](O)COc1ccc(C#N)cc1)c1cccc(Br)c1 ZINC000028920354 564366200 /nfs/dbraw/zinc/36/62/00/564366200.db2.gz DLTKORMNMHZONG-CXAGYDPISA-N 0 3 375.266 3.411 10 30 GGEEHN N#Cc1ccc(NC[C@H](O)CN2CCc3ccccc3C2)c(Br)c1 ZINC000134600989 564809165 /nfs/dbraw/zinc/80/91/65/564809165.db2.gz ZLABEVFUMAEKFH-KRWDZBQOSA-N 0 3 386.293 3.152 10 30 GGEEHN N#Cc1ccsc1NC(=O)CCN[C@H](CO)c1cccc(Br)c1 ZINC000183885905 565100847 /nfs/dbraw/zinc/10/08/47/565100847.db2.gz LMHPCEKHIGLTPR-CQSZACIVSA-N 0 3 394.294 3.034 10 30 GGEEHN C=CC[C@H](CO)NCc1cc(Br)cc(Br)c1OC ZINC000184278423 565125483 /nfs/dbraw/zinc/12/54/83/565125483.db2.gz CSBLGDVFEFHCBZ-LLVKDONJSA-N 0 3 379.092 3.247 10 30 GGEEHN C=CCN1CCC(NC(=O)Cn2c(C)c(Br)c3ccccc32)CC1 ZINC000171717993 565447235 /nfs/dbraw/zinc/44/72/35/565447235.db2.gz CXDKMDUJMXWIJD-UHFFFAOYSA-N 0 3 390.325 3.479 10 30 GGEEHN N#Cc1ccc2ncc(CNCCC(=O)Nc3ccc(Br)cc3)n2c1 ZINC000172339534 565479068 /nfs/dbraw/zinc/47/90/68/565479068.db2.gz XYKOIFNECGWHCK-UHFFFAOYSA-N 0 3 398.264 3.087 10 30 GGEEHN C=CCN1CCC(NC(=O)N2CCc3cccc(Br)c3C2)CC1 ZINC000172476751 565487151 /nfs/dbraw/zinc/48/71/51/565487151.db2.gz PINOOYLDJDBMNG-UHFFFAOYSA-N 0 3 378.314 3.167 10 30 GGEEHN COCCn1cc(NC(=O)C(C#N)c2nc3cc(Cl)ccc3s2)cn1 ZINC000190014334 565502153 /nfs/dbraw/zinc/50/21/53/565502153.db2.gz DODJJHYSSMIFJG-GFCCVEGCSA-N 0 3 375.841 3.038 10 30 GGEEHN C=C(C)CN1CCC(NC(=O)Cc2cc(Br)ccc2OC)CC1 ZINC000173579998 565568872 /nfs/dbraw/zinc/56/88/72/565568872.db2.gz RXSWBFRSQTZEKD-UHFFFAOYSA-N 0 3 381.314 3.157 10 30 GGEEHN CCN1CCC[C@H](NC(=O)N[C@@H]2COc3cc(F)c(Br)cc32)C1 ZINC000328784541 565642165 /nfs/dbraw/zinc/64/21/65/565642165.db2.gz KFNWTBANCSZKOK-IINYFYTJSA-N 0 3 386.265 3.010 10 30 GGEEHN [O-]C(N[C@@H]1CCc2nc[nH]c2C1)=[NH+][C@H]1CCc2cc(Br)ccc21 ZINC000329742286 565678012 /nfs/dbraw/zinc/67/80/12/565678012.db2.gz WLLSANWQKMSXFI-OCCSQVGLSA-N 0 3 375.270 3.221 10 30 GGEEHN [O-]C(N[C@@H]1CCc2[nH]cnc2C1)=[NH+][C@H]1CCc2cc(Br)ccc21 ZINC000329742286 565678016 /nfs/dbraw/zinc/67/80/16/565678016.db2.gz WLLSANWQKMSXFI-OCCSQVGLSA-N 0 3 375.270 3.221 10 30 GGEEHN CN(C)C(=O)CCN1CCC(NC(=O)Nc2cc(Cl)cc(Cl)c2)CC1 ZINC000330667387 565718542 /nfs/dbraw/zinc/71/85/42/565718542.db2.gz JAKZEOPMKVNWMM-UHFFFAOYSA-N 0 3 387.311 3.262 10 30 GGEEHN Cc1ccsc1[C@H](CO)NCCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000411570148 565737100 /nfs/dbraw/zinc/73/71/00/565737100.db2.gz OHTUSQZFCGLKOH-AWEZNQCLSA-N 0 3 375.519 3.130 10 30 GGEEHN C=CCN(CC=C)C(=O)CNC1(c2ccc(Br)cc2)CCOCC1 ZINC000194312254 565808277 /nfs/dbraw/zinc/80/82/77/565808277.db2.gz KJIATGNSKXSWLX-UHFFFAOYSA-N 0 3 393.325 3.245 10 30 GGEEHN C=CCOc1ccccc1CN[C@H](C)Cn1cc(Br)ccc1=O ZINC000414113136 565896619 /nfs/dbraw/zinc/89/66/19/565896619.db2.gz KEIIIBVTEFTCGS-CQSZACIVSA-N 0 3 377.282 3.354 10 30 GGEEHN C=CCOc1ccccc1CN[C@@H](C)Cn1cc(Br)ccc1=O ZINC000414113134 565896661 /nfs/dbraw/zinc/89/66/61/565896661.db2.gz KEIIIBVTEFTCGS-AWEZNQCLSA-N 0 3 377.282 3.354 10 30 GGEEHN C=CCOc1ccc(CN[C@H](C)Cn2cc(Br)ccc2=O)cc1 ZINC000414142582 565899289 /nfs/dbraw/zinc/89/92/89/565899289.db2.gz IWJHXXGXHIUKCE-CQSZACIVSA-N 0 3 377.282 3.354 10 30 GGEEHN O=C(NCCN[C@@H]1CCCSc2ccc(Cl)cc21)C1N=CC=CC1=O ZINC000180881063 566096446 /nfs/dbraw/zinc/09/64/46/566096446.db2.gz BAIMNLOVMBFDAZ-MGPWXQLLSA-N 0 3 377.897 3.383 10 30 GGEEHN C[C@H](NS(=O)(=O)c1ccc(Cl)c(C#N)c1)[C@@H]1CCCN(C2CCC2)C1 ZINC000183018523 566234731 /nfs/dbraw/zinc/23/47/31/566234731.db2.gz QFLZGJVBFRKANJ-UONOGXRCSA-N 0 3 381.929 3.143 10 30 GGEEHN C[C@@H](NC[C@H](O)CC1(C#N)CCOCC1)c1ccc(Br)cc1F ZINC000599417056 566263740 /nfs/dbraw/zinc/26/37/40/566263740.db2.gz QAAOXMATBGXPBP-TZMCWYRMSA-N 0 3 385.277 3.310 10 30 GGEEHN N#CC1(C[C@H](O)CN2CC[C@@H](c3cccc(Br)c3)C2)CCOCC1 ZINC000599433851 566265962 /nfs/dbraw/zinc/26/59/62/566265962.db2.gz LQZQKANDVLNYOJ-AEFFLSMTSA-N 0 3 393.325 3.310 10 30 GGEEHN N#Cc1cc(CN[C@]2(CO)CCc3cc(Br)ccc3C2)ccc1F ZINC000599573529 566275620 /nfs/dbraw/zinc/27/56/20/566275620.db2.gz RLJAQTULIXAIAI-LJQANCHMSA-N 0 3 389.268 3.469 10 30 GGEEHN C=C(C)CN1CCC(NC(=O)[C@H]2[C@@H]3c4cccc(Br)c4C[C@H]23)CC1 ZINC000625323184 566305161 /nfs/dbraw/zinc/30/51/61/566305161.db2.gz RZBVNWKDIMTWEH-QXAKKESOSA-N 0 3 389.337 3.492 10 30 GGEEHN N#CC[C@@H]1CC[C@H](N[C@H]2CCS(=O)(=O)c3ccc(Br)cc32)C1 ZINC000576109935 566316130 /nfs/dbraw/zinc/31/61/30/566316130.db2.gz RYPIPEKJFYXYEY-WHOFXGATSA-N 0 3 383.311 3.340 10 30 GGEEHN COc1ncc(Br)cc1CNC(=O)C(C#N)CCc1ccccc1 ZINC000600340502 566334350 /nfs/dbraw/zinc/33/43/50/566334350.db2.gz IGIZLIAWKDHFFO-AWEZNQCLSA-N 0 3 388.265 3.241 10 30 GGEEHN COc1ncc(Br)cc1CNC(=O)C(C#N)CCc1ccccc1 ZINC000600340504 566334455 /nfs/dbraw/zinc/33/44/55/566334455.db2.gz IGIZLIAWKDHFFO-CQSZACIVSA-N 0 3 388.265 3.241 10 30 GGEEHN C=CCn1c(CCN2CCCCC2)nnc1SCc1nn(C)cc1Cl ZINC000421185228 566354804 /nfs/dbraw/zinc/35/48/04/566354804.db2.gz QITXONUYEMAZLH-UHFFFAOYSA-N 0 3 380.949 3.172 10 30 GGEEHN N#CC1(C[C@@H](O)CN[C@H]2CCCN(c3ccc(Cl)cc3Cl)C2=O)CC1 ZINC000600733235 566360560 /nfs/dbraw/zinc/36/05/60/566360560.db2.gz HZYMTRBIAIEFCC-HIFRSBDPSA-N 0 3 382.291 3.133 10 30 GGEEHN N#CC1(C[C@H](O)CN[C@H]2CSc3ccc(Br)cc32)CCOCC1 ZINC000600732495 566361421 /nfs/dbraw/zinc/36/14/21/566361421.db2.gz BKUCEDPFPBAYHU-ZFWWWQNUSA-N 0 3 397.338 3.257 10 30 GGEEHN N#CC1(C[C@@H](O)CN[C@@H]2CSc3ccc(Br)cc32)CCOCC1 ZINC000600732494 566361445 /nfs/dbraw/zinc/36/14/45/566361445.db2.gz BKUCEDPFPBAYHU-UKRRQHHQSA-N 0 3 397.338 3.257 10 30 GGEEHN N#CC1(C[C@@H](O)CNCc2ccc(I)c(Cl)c2)CC1 ZINC000600738045 566362467 /nfs/dbraw/zinc/36/24/67/566362467.db2.gz ZMDTWSXDBCNAST-LLVKDONJSA-N 0 3 390.652 3.089 10 30 GGEEHN CN(CCC#N)C[C@H](O)CN[C@H]1CCCSc2ccc(Br)cc21 ZINC000600764100 566363790 /nfs/dbraw/zinc/36/37/90/566363790.db2.gz XKJZIZHUNUPXQH-ZBFHGGJFSA-N 0 3 398.370 3.172 10 30 GGEEHN CN(CCC#N)C[C@H](O)CN[C@@H]1CCCSc2ccc(Br)cc21 ZINC000600764083 566364651 /nfs/dbraw/zinc/36/46/51/566364651.db2.gz XKJZIZHUNUPXQH-GDBMZVCRSA-N 0 3 398.370 3.172 10 30 GGEEHN CN1CCC(n2cc(NC(=O)c3ccc(Br)cc3C#N)cn2)CC1 ZINC000601780548 566423951 /nfs/dbraw/zinc/42/39/51/566423951.db2.gz RVXHLOSCDFRQPN-UHFFFAOYSA-N 0 3 388.269 3.036 10 30 GGEEHN C[C@@](CO)(NCCOc1cccc(C#N)c1)c1ccc(Br)cc1 ZINC000511623259 566476340 /nfs/dbraw/zinc/47/63/40/566476340.db2.gz NLRVSFZOKGPERD-SFHVURJKSA-N 0 3 375.266 3.197 10 30 GGEEHN N#CCCC[C@@H](N)C(=O)NCc1ccc(Br)cc1C(F)(F)F ZINC000424193377 566517770 /nfs/dbraw/zinc/51/77/70/566517770.db2.gz QSJFOIGTEJUQEF-GFCCVEGCSA-N 0 3 378.192 3.105 10 30 GGEEHN COC(=O)C[C@](C)(NCCCSCC#N)c1ccc(Br)cc1 ZINC000513116593 566581948 /nfs/dbraw/zinc/58/19/48/566581948.db2.gz HXSDEZYCDDJTFP-INIZCTEOSA-N 0 3 385.327 3.464 10 30 GGEEHN CN(C)CCN(C)c1ccc(Br)cc1NC(=O)c1ccc(C#N)o1 ZINC000425101082 566605285 /nfs/dbraw/zinc/60/52/85/566605285.db2.gz XRHWSKRGRYGIHT-UHFFFAOYSA-N 0 3 391.269 3.164 10 30 GGEEHN N#Cc1c(Br)cccc1N1CC[C@H](OCCN2CCCCC2)C1 ZINC000579539668 566617191 /nfs/dbraw/zinc/61/71/91/566617191.db2.gz QZGPKSZIQBUGGC-HNNXBMFYSA-N 0 3 378.314 3.402 10 30 GGEEHN N#Cc1c(Br)cccc1N1CC[C@@H](OCCN2CCCCC2)C1 ZINC000579539672 566617263 /nfs/dbraw/zinc/61/72/63/566617263.db2.gz QZGPKSZIQBUGGC-OAHLLOKOSA-N 0 3 378.314 3.402 10 30 GGEEHN N#Cc1ccc2ncc(CN[C@H]3CCN(c4cccc(Br)c4)C3)n2c1 ZINC000487181746 566654354 /nfs/dbraw/zinc/65/43/54/566654354.db2.gz SCZUHOOQVRYUGL-INIZCTEOSA-N 0 3 396.292 3.337 10 30 GGEEHN C=C(C)CN1CCC(NC(=O)NCCc2ccccc2Br)CC1 ZINC000560908960 566666258 /nfs/dbraw/zinc/66/62/58/566666258.db2.gz TYXSUSOIKLQMNZ-UHFFFAOYSA-N 0 3 380.330 3.331 10 30 GGEEHN C[C@@H]1C[C@H](CN2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)CCO1 ZINC000488140075 566709373 /nfs/dbraw/zinc/70/93/73/566709373.db2.gz ZZTILJAPIPIYCQ-MDZRGWNJSA-N 0 3 392.341 3.446 10 30 GGEEHN COc1cc(CNC[C@@H](O)COc2c(Cl)cccc2Cl)ccc1C#N ZINC000580887952 566731341 /nfs/dbraw/zinc/73/13/41/566731341.db2.gz BKAQLMKQECMQMV-CQSZACIVSA-N 0 3 381.259 3.403 10 30 GGEEHN C=CCOc1c(Br)cc(CNCC[C@H](O)C(F)F)cc1OC ZINC000631218174 566792495 /nfs/dbraw/zinc/79/24/95/566792495.db2.gz BXOIYMJZZHKVOY-LBPRGKRZSA-N 0 3 380.229 3.128 10 30 GGEEHN [NH3+]C[C@@H]([N-]C(=O)N[C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F)C(F)(F)F ZINC000655929925 566861763 /nfs/dbraw/zinc/86/17/63/566861763.db2.gz XUWCEYJNGSGKHU-BDAKNGLRSA-N 0 3 381.679 3.271 10 30 GGEEHN C[C@@H](CNCCS(=O)(=O)c1cccc(C#N)c1)Oc1ccc(Cl)cc1 ZINC000563529284 566890876 /nfs/dbraw/zinc/89/08/76/566890876.db2.gz YBXGJDXMELUAAW-AWEZNQCLSA-N 0 3 378.881 3.042 10 30 GGEEHN N#Cc1ccc(CC(C#N)C(=O)NCCc2ccccc2Br)cc1 ZINC000470895498 566913185 /nfs/dbraw/zinc/91/31/85/566913185.db2.gz XDBDNTFNZQAWFU-KRWDZBQOSA-N 0 3 382.261 3.362 10 30 GGEEHN C=CCN1CCC(NC(=O)N[C@@H]2[C@H]3Cc4c(cccc4Br)[C@@H]23)CC1 ZINC000633041407 566930923 /nfs/dbraw/zinc/93/09/23/566930923.db2.gz NFUJDMYHKXTXST-CGTJXYLNSA-N 0 3 390.325 3.037 10 30 GGEEHN CN(C)CCN(Cc1nc(C#N)cs1)Cc1ccc(Br)cc1 ZINC000564533566 566982672 /nfs/dbraw/zinc/98/26/72/566982672.db2.gz QNAPMVJGASARPN-UHFFFAOYSA-N 0 3 379.327 3.341 10 30 GGEEHN CC[C@H]1CCCN(C(C)(C)CNS(=O)(=O)c2ccc(Cl)c(C#N)c2)C1 ZINC000521171189 567045233 /nfs/dbraw/zinc/04/52/33/567045233.db2.gz BNDQMVRAWHZUQK-AWEZNQCLSA-N 0 3 383.945 3.391 10 30 GGEEHN C=CCOc1c(Br)cc(CN[C@H]2C[C@@H](O)C23CCC3)cc1OC ZINC000657701914 567086644 /nfs/dbraw/zinc/08/66/44/567086644.db2.gz BKPMTDYPJQOSOT-JKSUJKDBSA-N 0 3 382.298 3.416 10 30 GGEEHN C=CCOc1c(Br)cc(CNCCc2cncc(C)n2)cc1OC ZINC000657709591 567088431 /nfs/dbraw/zinc/08/84/31/567088431.db2.gz DLJIHFUGWYEEMP-UHFFFAOYSA-N 0 3 392.297 3.453 10 30 GGEEHN CN1CCC[C@H](N2CCN(c3c(Br)cc(Cl)cc3C#N)CC2)C1 ZINC000587979595 567106846 /nfs/dbraw/zinc/10/68/46/567106846.db2.gz PRTCKEGUOVZWOO-HNNXBMFYSA-N 0 3 397.748 3.190 10 30 GGEEHN COc1cc(CNC[C@H](O)COc2ccc(Cl)c(Cl)c2)ccc1C#N ZINC000591766752 567295246 /nfs/dbraw/zinc/29/52/46/567295246.db2.gz ICFGFLKMHIDPAG-AWEZNQCLSA-N 0 3 381.259 3.403 10 30 GGEEHN Cc1nc(NC(=O)c2ccccc2OCCN(C)C)sc1SCC#N ZINC000476209887 567304858 /nfs/dbraw/zinc/30/48/58/567304858.db2.gz MAJFPWGZLMSJOO-UHFFFAOYSA-N 0 3 376.507 3.260 10 30 GGEEHN C=CCN1CCC(NC(=O)N2CCOc3cc(Br)ccc3C2)CC1 ZINC000660704353 567320949 /nfs/dbraw/zinc/32/09/49/567320949.db2.gz MQMXZDOFDUXYPX-UHFFFAOYSA-N 0 3 394.313 3.004 10 30 GGEEHN COc1cnccc1N1CCN(c2cc(Br)c(C#N)cc2F)CC1 ZINC000568413166 567327918 /nfs/dbraw/zinc/32/79/18/567327918.db2.gz WYFDVUGADGOLFM-UHFFFAOYSA-N 0 3 391.244 3.190 10 30 GGEEHN CCN(CC)CCN(C(=O)CC(C)(C)C#N)c1ccc(Br)cn1 ZINC000568633588 567344675 /nfs/dbraw/zinc/34/46/75/567344675.db2.gz ILACMYTZUMNYJU-UHFFFAOYSA-N 0 3 381.318 3.459 10 30 GGEEHN C=C[C@@H]1OCC[C@H]1C(=O)N(CCN(CC)CC)c1ccc(Br)cn1 ZINC000568987287 567371853 /nfs/dbraw/zinc/37/18/53/567371853.db2.gz LJUNALYTURTRLA-CVEARBPZSA-N 0 3 396.329 3.110 10 30 GGEEHN C=CCN1CCC(NC(=O)NCc2cc(F)c(Br)cc2F)CC1 ZINC000527768995 567373673 /nfs/dbraw/zinc/37/36/73/567373673.db2.gz VBQIMZQYNMQRNG-UHFFFAOYSA-N 0 3 388.256 3.177 10 30 GGEEHN N#Cc1cc(Br)ccc1CC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000593010922 567378346 /nfs/dbraw/zinc/37/83/46/567378346.db2.gz FMDJYWYBSALSQU-LJQANCHMSA-N 0 3 398.304 3.254 10 30 GGEEHN C[C@H](CNC(=O)Cc1ccc(Br)cc1C#N)N1CCCC[C@H]1C ZINC000593027809 567379775 /nfs/dbraw/zinc/37/97/75/567379775.db2.gz FHYMTXUGWRIYHX-ZIAGYGMSSA-N 0 3 378.314 3.242 10 30 GGEEHN CN(C)Cc1cccc(CNC(=O)Cc2ccc(Br)cc2C#N)c1 ZINC000593397912 567410274 /nfs/dbraw/zinc/41/02/74/567410274.db2.gz PLIDDJIUVYREFW-UHFFFAOYSA-N 0 3 386.293 3.241 10 30 GGEEHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)Cc1ccc(Br)cc1C#N ZINC000593420292 567412462 /nfs/dbraw/zinc/41/24/62/567412462.db2.gz LSJSRTVAEWCPSD-KBPBESRZSA-N 0 3 378.314 3.100 10 30 GGEEHN CCN(CC)CCN(Cc1cccs1)S(=O)(=O)c1ccsc1C#N ZINC000593526714 567420702 /nfs/dbraw/zinc/42/07/02/567420702.db2.gz XRGXFKMXOIAJPV-UHFFFAOYSA-N 0 3 383.564 3.214 10 30 GGEEHN CC1(N2CCOCC2)CCN(Cc2ccc(Br)cc2C#N)CC1 ZINC000528727875 567451859 /nfs/dbraw/zinc/45/18/59/567451859.db2.gz WTJIDYXTVSCWNR-UHFFFAOYSA-N 0 3 378.314 3.007 10 30 GGEEHN N#CCCCC[C@H](N)C(=O)NCC1(c2cccc(Br)c2)CCC1 ZINC000594432016 567474410 /nfs/dbraw/zinc/47/44/10/567474410.db2.gz VDRQJQKNRSNAJK-INIZCTEOSA-N 0 3 378.314 3.398 10 30 GGEEHN N#CCCCC[C@@H](N)C(=O)NCC1(c2cccc(Br)c2)CCC1 ZINC000594432017 567474781 /nfs/dbraw/zinc/47/47/81/567474781.db2.gz VDRQJQKNRSNAJK-MRXNPFEDSA-N 0 3 378.314 3.398 10 30 GGEEHN N#CCCCC[C@@H](N)C(=O)NCc1ccc(Br)cc1C(F)(F)F ZINC000594437090 567475481 /nfs/dbraw/zinc/47/54/81/567475481.db2.gz UZEXATUCQGJJSN-CYBMUJFWSA-N 0 3 392.219 3.495 10 30 GGEEHN N#CCCCC[C@@H](N)C(=O)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000594434328 567475872 /nfs/dbraw/zinc/47/58/72/567475872.db2.gz NPMZBQDUXQPIDU-HZPDHXFCSA-N 0 3 388.270 3.444 10 30 GGEEHN N#CCCCC[C@H](N)C(=O)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000594434329 567476426 /nfs/dbraw/zinc/47/64/26/567476426.db2.gz NPMZBQDUXQPIDU-JKSUJKDBSA-N 0 3 388.270 3.444 10 30 GGEEHN N#CCCCC[C@H](N)C(=O)N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000594455878 567477444 /nfs/dbraw/zinc/47/74/44/567477444.db2.gz DHOVTIQJAYTQOE-XEZPLFJOSA-N 0 3 382.277 3.362 10 30 GGEEHN N#CCCC[C@@H](N)C(=O)N1CCN(c2cc(Cl)c(Cl)c(Cl)c2)CC1 ZINC000594456065 567477754 /nfs/dbraw/zinc/47/77/54/567477754.db2.gz RQZVKQALFYDRNL-CQSZACIVSA-N 0 3 389.714 3.317 10 30 GGEEHN N#Cc1ccc(NC(=O)NC[C@@H]2CCN2C2CCCC2)cc1Br ZINC000529095884 567486462 /nfs/dbraw/zinc/48/64/62/567486462.db2.gz WRXHEPRDECWKJQ-HNNXBMFYSA-N 0 3 377.286 3.459 10 30 GGEEHN CCS(=O)(=O)N1CCC([C@@H](C)N(C)CC#Cc2ccccc2Cl)CC1 ZINC000571918812 567599551 /nfs/dbraw/zinc/59/95/51/567599551.db2.gz FKDFAAWNYPKPJQ-MRXNPFEDSA-N 0 3 382.957 3.074 10 30 GGEEHN N#Cc1c(Br)cccc1NCc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000596423777 567632038 /nfs/dbraw/zinc/63/20/38/567632038.db2.gz PCVYVXIEBRBXLL-INIZCTEOSA-N 0 3 386.293 3.499 10 30 GGEEHN C[C@@H]1C[C@H](C)CN(C(C)(C)CNS(=O)(=O)c2ccc(Cl)c(C#N)c2)C1 ZINC000507282061 567672905 /nfs/dbraw/zinc/67/29/05/567672905.db2.gz RFYVDYPNLUUPRI-OKILXGFUSA-N 0 3 383.945 3.246 10 30 GGEEHN N#Cc1cnn2cc(CNCC3(Cc4ccc(Br)cc4)CC3)cnc12 ZINC000597211076 567690188 /nfs/dbraw/zinc/69/01/88/567690188.db2.gz VJNUDGQCEUMBPP-UHFFFAOYSA-N 0 3 396.292 3.476 10 30 GGEEHN CC(C)N(CCN1CCCCCC1)S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000553896505 567697860 /nfs/dbraw/zinc/69/78/60/567697860.db2.gz UNFDRICPKZOYCM-UHFFFAOYSA-N 0 3 383.945 3.487 10 30 GGEEHN C=CCN1CCC(NC(=O)N2CCc3cc(F)cc(Br)c3C2)CC1 ZINC000623634880 567726371 /nfs/dbraw/zinc/72/63/71/567726371.db2.gz DIJYSHUJLWANIM-UHFFFAOYSA-N 0 3 396.304 3.306 10 30 GGEEHN N#Cc1ccc(CN[C@@]2(CO)CCc3cc(Br)ccc3C2)s1 ZINC000598993357 567802372 /nfs/dbraw/zinc/80/23/72/567802372.db2.gz KXDJDBCNSCDRMN-KRWDZBQOSA-N 0 3 377.307 3.392 10 30 GGEEHN C=CCN1CCC(NC(=O)CCc2ccc(OC)cc2Br)CC1 ZINC000668368576 567808058 /nfs/dbraw/zinc/80/80/58/567808058.db2.gz BORSWHGXQKQJBZ-UHFFFAOYSA-N 0 3 381.314 3.157 10 30 GGEEHN N#CC1(C[C@H](O)CN(Cc2cccc(Br)c2)C2CC2)CCOCC1 ZINC000599259924 567812159 /nfs/dbraw/zinc/81/21/59/567812159.db2.gz RVURYLDHXSGYJG-SFHVURJKSA-N 0 3 393.325 3.485 10 30 GGEEHN C=CCOCCCNCc1cc(Br)cc(Br)c1N ZINC000668581469 567814074 /nfs/dbraw/zinc/81/40/74/567814074.db2.gz DYZPDNCNVAKSIR-UHFFFAOYSA-N 0 3 378.108 3.476 10 30 GGEEHN C=CCN(C)Cc1ccc(C(=O)N2CCN(c3ccc(C(C)=O)cc3)CC2)cc1 ZINC000072281965 570466954 /nfs/dbraw/zinc/46/69/54/570466954.db2.gz HTUJHTMASGVAEM-UHFFFAOYSA-N 0 3 391.515 3.469 10 30 GGEEHN C#CCOC[C@@H](O)CN(Cc1ccc2c(c1)OCO2)Cc1cc(C)ccc1C ZINC000036103950 570540878 /nfs/dbraw/zinc/54/08/78/570540878.db2.gz RJDIKGUVEBSJRR-NRFANRHFSA-N 0 3 381.472 3.045 10 30 GGEEHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1C[C@@H]1c1cccc(F)c1 ZINC000067732191 1409216682 /nfs/dbraw/zinc/21/66/82/1409216682.db2.gz GIBAEVVTJIZFIE-RTWAWAEBSA-N 0 3 380.467 3.327 10 30 GGEEHN O=C(NCCNCc1cccc(OCc2ccccc2F)c1)C1N=CC=CC1=O ZINC000113360980 1412298328 /nfs/dbraw/zinc/29/83/28/1412298328.db2.gz GIGLEJUUBSJPTC-DQRAZIAOSA-N 0 3 395.434 3.021 10 30 GGEEHN O=C(NCCNCc1ccc(Sc2ccccc2)cc1)C1N=CC=CC1=O ZINC000179304318 1429321260 /nfs/dbraw/zinc/32/12/60/1429321260.db2.gz DBBVGRPBJZEVDW-MRCUWXFGSA-N 0 3 379.485 3.454 10 30 GGEEHN COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1CCN(C2CCCCC2)CC1 ZINC000163124203 1424946951 /nfs/dbraw/zinc/94/69/51/1424946951.db2.gz CTKJCXBRUWGVAI-LJQANCHMSA-N 0 3 398.551 3.281 10 30 GGEEHN O=C(NCCN[C@@H](Cc1cccc(F)c1)c1cccc(F)c1)C1N=CC=CC1=O ZINC000255603252 1433886362 /nfs/dbraw/zinc/88/63/62/1433886362.db2.gz DJQZXAKYHJNXFO-XJUMHSELSA-N 0 3 397.425 3.365 10 30 GGEEHN O=C(NCCNCc1cccc(OCc2ccccc2F)c1)C1N=CC=CC1=O ZINC000255732432 1433888825 /nfs/dbraw/zinc/88/88/25/1433888825.db2.gz GIGLEJUUBSJPTC-QURGRASLSA-N 0 3 395.434 3.021 10 30 GGEEHN C#CCOc1ccc(Br)cc1CN[C@@H](CO)Cc1ccccc1C ZINC001656098225 1126256617 /nfs/dbraw/zinc/25/66/17/1126256617.db2.gz BPICFNQGNGHUSM-LJQANCHMSA-N 0 3 388.305 3.463 10 30 GGEEHN COc1cc(C#N)ccc1CN[C@@](C)(CO)Cc1ccc(Br)cc1 ZINC001656294168 1126257496 /nfs/dbraw/zinc/25/74/96/1126257496.db2.gz TZIWIOGEEYDYGJ-LJQANCHMSA-N 0 3 389.293 3.413 10 30 GGEEHN CCN1CCC[C@@H](CN(C)Cc2cc(C#N)ccc2OC)[C@@H]1c1cnn(C)c1 ZINC000328645672 206237456 /nfs/dbraw/zinc/23/74/56/206237456.db2.gz SGYWNUJGKUIYFT-PGRDOPGGSA-N 0 3 381.524 3.205 10 30 GGEEHN C=CCN(Cc1ccc(C)cc1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000043059888 209095951 /nfs/dbraw/zinc/09/59/51/209095951.db2.gz RXDSKJGQFCOEGP-QFIPXVFZSA-N 0 3 398.457 3.441 10 30 GGEEHN C=CCN(Cc1ccccc1C)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000043076227 209096043 /nfs/dbraw/zinc/09/60/43/209096043.db2.gz IFHXLUHDEQRUES-JOCHJYFZSA-N 0 3 398.457 3.441 10 30 GGEEHN C=CCN(Cc1ccccc1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000043120146 209095532 /nfs/dbraw/zinc/09/55/32/209095532.db2.gz PNAAGRDZVKSGKR-OAQYLSRUSA-N 0 3 384.430 3.132 10 30 GGEEHN CCOC(=O)CNC(=S)N(CCCN1CCCCC1)Cc1cccs1 ZINC000005180146 564213777 /nfs/dbraw/zinc/21/37/77/564213777.db2.gz JBHASZFJQZVZJB-UHFFFAOYSA-N 0 3 383.583 3.275 10 30 GGEEHN O=C(c1ccc(Cl)cc1)C(C(=S)[N-]C[C@@H]1CCCO1)[n+]1ccccc1 ZINC000028605925 564363936 /nfs/dbraw/zinc/36/39/36/564363936.db2.gz RKXZTVGAOKNTMX-INIZCTEOSA-O 0 3 375.901 3.335 10 30 GGEEHN CCCCNC(=O)C(C#N)C(=O)[C@H](C)Cc1ccc(F)c(Br)c1 ZINC000132701556 564750865 /nfs/dbraw/zinc/75/08/65/564750865.db2.gz JOZWGFITHOYPDP-DGCLKSJQSA-N 0 3 383.261 3.392 10 30 GGEEHN C=CC[C@@H](CO)NCc1cc(Br)c(OC(F)F)c(OCC)c1 ZINC000184280031 565125257 /nfs/dbraw/zinc/12/52/57/565125257.db2.gz XYCXRAURIPPIAJ-NSHDSACASA-N 0 3 380.229 3.476 10 30 GGEEHN C[C@H]1CN(C2CCN(Cc3cc(C#N)ccc3Br)CC2)CCO1 ZINC000191777562 565629859 /nfs/dbraw/zinc/62/98/59/565629859.db2.gz BCEZOLPJHIYXOU-AWEZNQCLSA-N 0 3 378.314 3.006 10 30 GGEEHN CCC(=O)N1CSC[C@H]1C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000329242629 565660855 /nfs/dbraw/zinc/66/08/55/565660855.db2.gz OLJDOXPBYNVVOA-HNNXBMFYSA-N 0 3 385.599 3.006 10 30 GGEEHN [O-]C(N[C@@H]1CCc2nc[nH]c2C1)=[NH+][C@@H]1CCOc2ccc(Br)cc21 ZINC000329611022 565673137 /nfs/dbraw/zinc/67/31/37/565673137.db2.gz NXQSVYPXTKOSED-DGCLKSJQSA-N 0 3 391.269 3.057 10 30 GGEEHN [O-]C(N[C@@H]1CCc2[nH]cnc2C1)=[NH+][C@@H]1CCOc2ccc(Br)cc21 ZINC000329611022 565673142 /nfs/dbraw/zinc/67/31/42/565673142.db2.gz NXQSVYPXTKOSED-DGCLKSJQSA-N 0 3 391.269 3.057 10 30 GGEEHN C=CCN1CCC(NC(=O)N[C@@H]2CCOc3c(Br)cccc32)CC1 ZINC000282085934 565763812 /nfs/dbraw/zinc/76/38/12/565763812.db2.gz IBZDQJOJDDHCBX-MRXNPFEDSA-N 0 3 394.313 3.222 10 30 GGEEHN COc1cc(C[NH2+]CCOc2ccc(C#N)cc2)cc(Br)c1[O-] ZINC000177561196 565859907 /nfs/dbraw/zinc/85/99/07/565859907.db2.gz JHIUVRQFFLRTQF-UHFFFAOYSA-N 0 3 377.238 3.204 10 30 GGEEHN C[C@H](NS(=O)(=O)c1ccc(Cl)c(C#N)c1)[C@H]1CCCN(C2CCC2)C1 ZINC000183018561 566234904 /nfs/dbraw/zinc/23/49/04/566234904.db2.gz QFLZGJVBFRKANJ-KBPBESRZSA-N 0 3 381.929 3.143 10 30 GGEEHN CCN(Cc1cccc(Br)c1)C[C@H](O)CC1(C#N)CCOCC1 ZINC000599274434 566251794 /nfs/dbraw/zinc/25/17/94/566251794.db2.gz SSIXMLBMZRYOES-QGZVFWFLSA-N 0 3 381.314 3.342 10 30 GGEEHN CCN(Cc1cccc(Br)c1)C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599274433 566251870 /nfs/dbraw/zinc/25/18/70/566251870.db2.gz SSIXMLBMZRYOES-KRWDZBQOSA-N 0 3 381.314 3.342 10 30 GGEEHN COc1cc(Br)ccc1[C@H](C)NC[C@H](O)CC1(C#N)CCOCC1 ZINC000599387580 566260603 /nfs/dbraw/zinc/26/06/03/566260603.db2.gz YHLGOPNWQPULNK-DZGCQCFKSA-N 0 3 397.313 3.180 10 30 GGEEHN C[C@H](NC[C@H](O)CC1(C#N)CCOCC1)c1ccc(F)c(Br)c1 ZINC000599429472 566263482 /nfs/dbraw/zinc/26/34/82/566263482.db2.gz YQQNHDMPEBHXND-GXTWGEPZSA-N 0 3 385.277 3.310 10 30 GGEEHN C[C@@H](NC[C@@H](O)CC1(C#N)CCOCC1)c1ccc(Br)cc1F ZINC000599417054 566264146 /nfs/dbraw/zinc/26/41/46/566264146.db2.gz QAAOXMATBGXPBP-OCCSQVGLSA-N 0 3 385.277 3.310 10 30 GGEEHN N#Cc1ccc(F)c(CN[C@@]2(CO)CCc3cc(Br)ccc3C2)c1 ZINC000599573215 566274941 /nfs/dbraw/zinc/27/49/41/566274941.db2.gz MXNKTDQNXRRJEE-IBGZPJMESA-N 0 3 389.268 3.469 10 30 GGEEHN CCC1(N2CCOCC2)CCN(Cc2ccc(C#N)cc2Br)CC1 ZINC000599666159 566283977 /nfs/dbraw/zinc/28/39/77/566283977.db2.gz ZCSCAPHAMQKNOW-UHFFFAOYSA-N 0 3 392.341 3.398 10 30 GGEEHN C[C@H](C(=O)N(C)CCC#N)N1C[C@H](c2ccc(Br)cc2)C[C@H]1C ZINC000599652431 566284103 /nfs/dbraw/zinc/28/41/03/566284103.db2.gz MFWRJVKJEVMUBO-IIAWOOMASA-N 0 3 378.314 3.387 10 30 GGEEHN N#CC1(C[C@@H](O)CN[C@H](CCO)c2cc(Cl)cc(Cl)c2)CCOCC1 ZINC000599685784 566286870 /nfs/dbraw/zinc/28/68/70/566286870.db2.gz YMFCDDVJRRERGH-IAGOWNOFSA-N 0 3 387.307 3.078 10 30 GGEEHN N#CC1(C[C@H](O)CN[C@@H]2CSc3ccc(Br)cc32)CCOCC1 ZINC000600732492 566361305 /nfs/dbraw/zinc/36/13/05/566361305.db2.gz BKUCEDPFPBAYHU-DZGCQCFKSA-N 0 3 397.338 3.257 10 30 GGEEHN CC(C)N(CCN1CCCCCC1)S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000557855817 566430640 /nfs/dbraw/zinc/43/06/40/566430640.db2.gz SJKLDSCMNCHTBF-UHFFFAOYSA-N 0 3 383.945 3.487 10 30 GGEEHN C=C(C)CN1CCC(NC(=O)[C@H]2CCOc3ccc(Br)cc32)CC1 ZINC000651273188 566505800 /nfs/dbraw/zinc/50/58/00/566505800.db2.gz FPBFCLMGZVCCIZ-INIZCTEOSA-N 0 3 393.325 3.472 10 30 GGEEHN C=CCOc1c(Br)cc(CN2CC[C@@H](c3nc[nH]n3)C2)cc1OC ZINC000425361272 566634989 /nfs/dbraw/zinc/63/49/89/566634989.db2.gz XFZQLOODJMLHJO-CYBMUJFWSA-N 0 3 393.285 3.130 10 30 GGEEHN C=CCN1CCC(NC(=O)N2CCOc3cccc(Br)c3C2)CC1 ZINC000654431556 566732468 /nfs/dbraw/zinc/73/24/68/566732468.db2.gz PWHXSLTVFQGGOI-UHFFFAOYSA-N 0 3 394.313 3.004 10 30 GGEEHN C=CCN(CC=C)[C@@H](CNc1ncc(I)cn1)C(C)C ZINC000609494962 566766903 /nfs/dbraw/zinc/76/69/03/566766903.db2.gz KCNUCEWDLZUMJA-AWEZNQCLSA-N 0 3 386.281 3.192 10 30 GGEEHN COc1cc(Br)ccc1CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000471154316 566933010 /nfs/dbraw/zinc/93/30/10/566933010.db2.gz OSBVUJHQYUVFSN-INIZCTEOSA-N 0 3 398.260 3.328 10 30 GGEEHN Cc1nc(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)sc1Br ZINC000452397934 566974322 /nfs/dbraw/zinc/97/43/22/566974322.db2.gz LSKPZJWRFXUUFQ-CYBMUJFWSA-N 0 3 389.278 3.084 10 30 GGEEHN N#Cc1ccc(OCCNC[C@@H](O)COc2ccc(Cl)cc2Cl)cc1 ZINC000584108407 567013968 /nfs/dbraw/zinc/01/39/68/567013968.db2.gz BXTKUTPJWMRHEB-OAHLLOKOSA-N 0 3 381.259 3.273 10 30 GGEEHN C=CCN1CCC(Nc2ncnc3cccc(I)c32)CC1 ZINC000545866058 567081764 /nfs/dbraw/zinc/08/17/64/567081764.db2.gz TZZPXDGUCCSLIZ-UHFFFAOYSA-N 0 3 394.260 3.297 10 30 GGEEHN C=CCOc1c(Br)cc(CN[C@@H]2C[C@H](O)C23CCC3)cc1OC ZINC000657701908 567085499 /nfs/dbraw/zinc/08/54/99/567085499.db2.gz BKPMTDYPJQOSOT-CVEARBPZSA-N 0 3 382.298 3.416 10 30 GGEEHN COc1cc(CNCc2cccc(I)c2)ccc1C#N ZINC000589322839 567175612 /nfs/dbraw/zinc/17/56/12/567175612.db2.gz NQJAVCOABXEVLR-UHFFFAOYSA-N 0 3 378.213 3.461 10 30 GGEEHN N#Cc1ccc(CN[C@@H](C2CCOCC2)C2(CO)CCC2)c(Br)c1 ZINC000591855480 567301873 /nfs/dbraw/zinc/30/18/73/567301873.db2.gz FXOHRPZOYGRPGC-SFHVURJKSA-N 0 3 393.325 3.368 10 30 GGEEHN N#Cc1ccc(CN[C@H](C2CCOCC2)C2(CO)CCC2)c(Br)c1 ZINC000591855477 567302502 /nfs/dbraw/zinc/30/25/02/567302502.db2.gz FXOHRPZOYGRPGC-GOSISDBHSA-N 0 3 393.325 3.368 10 30 GGEEHN C=CCN1CCC(NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000501121614 567368619 /nfs/dbraw/zinc/36/86/19/567368619.db2.gz XNOXRNOBGYXXAH-UHFFFAOYSA-N 0 3 383.246 3.129 10 30 GGEEHN CN(C)[C@H](CNC(=O)Cc1ccc(Br)cc1C#N)c1ccccc1 ZINC000593001315 567376903 /nfs/dbraw/zinc/37/69/03/567376903.db2.gz DOCSPDVFKXSINR-GOSISDBHSA-N 0 3 386.293 3.282 10 30 GGEEHN CN(C)CCN(C(=O)Cc1ccc(Br)cc1C#N)c1ccccc1 ZINC000593040602 567380761 /nfs/dbraw/zinc/38/07/61/567380761.db2.gz KJQFBTRDSUMCNQ-UHFFFAOYSA-N 0 3 386.293 3.458 10 30 GGEEHN CN(CCNC(=O)Cc1ccc(Br)cc1C#N)Cc1ccccc1 ZINC000593038011 567381012 /nfs/dbraw/zinc/38/10/12/567381012.db2.gz VZMFKFKBDZZPJN-UHFFFAOYSA-N 0 3 386.293 3.111 10 30 GGEEHN CN1CCCC(C)(C)[C@@H]1CNC(=O)Cc1ccc(Br)cc1C#N ZINC000593144548 567390291 /nfs/dbraw/zinc/39/02/91/567390291.db2.gz ZIONDXDKIBWQMJ-INIZCTEOSA-N 0 3 378.314 3.100 10 30 GGEEHN C[C@H](CNC(=O)Cc1ccc(Br)cc1C#N)N1CCC[C@H](C)C1 ZINC000593408552 567411749 /nfs/dbraw/zinc/41/17/49/567411749.db2.gz PREDRIUOLAPDIF-UONOGXRCSA-N 0 3 378.314 3.100 10 30 GGEEHN C[C@@H](CNC(=O)Cc1ccc(Br)cc1C#N)N1CCC[C@H](C)C1 ZINC000593408547 567411920 /nfs/dbraw/zinc/41/19/20/567411920.db2.gz PREDRIUOLAPDIF-KBPBESRZSA-N 0 3 378.314 3.100 10 30 GGEEHN CC(C)(C)N1CCCN(C(=O)Cc2ccc(Br)cc2C#N)CC1 ZINC000593438602 567413611 /nfs/dbraw/zinc/41/36/11/567413611.db2.gz QCXNTCNKHUUPDN-UHFFFAOYSA-N 0 3 378.314 3.196 10 30 GGEEHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)Cc1ccc(Br)cc1C#N ZINC000593459951 567415698 /nfs/dbraw/zinc/41/56/98/567415698.db2.gz XEWOYQLOQLWOTE-ZIAGYGMSSA-N 0 3 378.314 3.242 10 30 GGEEHN N#Cc1sccc1S(=O)(=O)[N-]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000593527400 567421112 /nfs/dbraw/zinc/42/11/12/567421112.db2.gz SSGDQLWORUDZBD-UHFFFAOYSA-N 0 3 375.519 3.084 10 30 GGEEHN N#CC1(C[C@H](O)CN2CCC(Oc3cccc(Br)c3)CC2)CC1 ZINC000528451685 567424640 /nfs/dbraw/zinc/42/46/40/567424640.db2.gz UTSJHAOYBQSSEK-HNNXBMFYSA-N 0 3 379.298 3.347 10 30 GGEEHN N#CCCCC[C@H](N)C(=O)NCC1(c2ccc(Br)cc2)CCC1 ZINC000594431404 567474176 /nfs/dbraw/zinc/47/41/76/567474176.db2.gz MAJBFCUIXFBRJR-INIZCTEOSA-N 0 3 378.314 3.398 10 30 GGEEHN N#CCCCC[C@H](N)C(=O)N1CCC(Oc2cccc(Br)c2)CC1 ZINC000594444954 567475460 /nfs/dbraw/zinc/47/54/60/567475460.db2.gz GPWZNZGSXGCJCA-KRWDZBQOSA-N 0 3 394.313 3.230 10 30 GGEEHN N#CCCCC[C@@H](N)C(=O)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1 ZINC000594447557 567475776 /nfs/dbraw/zinc/47/57/76/567475776.db2.gz YRBCUNNQVOZIGT-GDBMZVCRSA-N 0 3 383.323 3.490 10 30 GGEEHN CN(CC1(c2ccc(Br)cc2)CC1)C(=O)[C@H](N)CCCCC#N ZINC000594432586 567475920 /nfs/dbraw/zinc/47/59/20/567475920.db2.gz DKPSYGZJCBJKFZ-MRXNPFEDSA-N 0 3 378.314 3.350 10 30 GGEEHN C[C@@H](CNC(=O)[C@@H](N)CCCCC#N)Sc1ccc(Br)cc1 ZINC000594433252 567476197 /nfs/dbraw/zinc/47/61/97/567476197.db2.gz DZYZMTZPHFZGFM-WFASDCNBSA-N 0 3 384.343 3.457 10 30 GGEEHN CCn1c2cc(Br)ccc2nc1NC(=O)[C@H](N)CCCCC#N ZINC000594466655 567478649 /nfs/dbraw/zinc/47/86/49/567478649.db2.gz CEVTWEBTCOJNBJ-GFCCVEGCSA-N 0 3 378.274 3.168 10 30 GGEEHN N#Cc1cc(Br)ccc1CN[C@H](C1CCOCC1)C1(CO)CCC1 ZINC000571075578 567533999 /nfs/dbraw/zinc/53/39/99/567533999.db2.gz UJUUHQHWXRCTKU-GOSISDBHSA-N 0 3 393.325 3.368 10 30 GGEEHN C=CCn1c(-c2ccc(Br)s2)nnc1N1CCCN(CC)CC1 ZINC000571092242 567536786 /nfs/dbraw/zinc/53/67/86/567536786.db2.gz MCHSGHPVVCZNKY-UHFFFAOYSA-N 0 3 396.358 3.487 10 30 GGEEHN C=CCCSCCN[C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000595060569 567540218 /nfs/dbraw/zinc/54/02/18/567540218.db2.gz VPWPBJBLQCVQJY-LLVKDONJSA-N 0 3 393.372 3.056 10 30 GGEEHN C=CCOc1c(Br)cc(CN2CC[C@@H]3CN(C)C[C@@H]32)cc1OC ZINC000644840281 567582553 /nfs/dbraw/zinc/58/25/53/567582553.db2.gz JUBSYAFKVLUWRC-ZBFHGGJFSA-N 0 3 381.314 3.158 10 30 GGEEHN N#Cc1cc(Br)ccc1NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000596422878 567631960 /nfs/dbraw/zinc/63/19/60/567631960.db2.gz IWMNLRRYECXVKU-GOSISDBHSA-N 0 3 386.293 3.499 10 30 GGEEHN CSc1ccc([C@H](CNC(=O)Nc2snc(C)c2C#N)N(C)C)cc1 ZINC000459566873 567638335 /nfs/dbraw/zinc/63/83/35/567638335.db2.gz TVPSDQJIHGTOTG-HNNXBMFYSA-N 0 3 375.523 3.470 10 30 GGEEHN C[C@H](CC#N)C(=O)N(Cc1ccccc1Br)C1CCN(C)CC1 ZINC000597662187 567710106 /nfs/dbraw/zinc/71/01/06/567710106.db2.gz JSDJWOHGYYCRIU-CQSZACIVSA-N 0 3 378.314 3.422 10 30 GGEEHN N#Cc1ccc(CN[C@]2(CO)CCc3cc(Br)ccc3C2)s1 ZINC000598993358 567802249 /nfs/dbraw/zinc/80/22/49/567802249.db2.gz KXDJDBCNSCDRMN-QGZVFWFLSA-N 0 3 377.307 3.392 10 30 GGEEHN CCC1(N2CCOCC2)CCN(c2ccc(Br)cc2C#N)CC1 ZINC000599183499 567809363 /nfs/dbraw/zinc/80/93/63/567809363.db2.gz QCONKSQAOIMTBM-UHFFFAOYSA-N 0 3 378.314 3.402 10 30 GGEEHN C#CCOC[C@H](O)CN(Cc1ccc2c(c1)OCO2)Cc1cc(C)ccc1C ZINC000036103952 570540875 /nfs/dbraw/zinc/54/08/75/570540875.db2.gz RJDIKGUVEBSJRR-OAQYLSRUSA-N 0 3 381.472 3.045 10 30 GGEEHN N#Cc1ccccc1COc1cccc(CN2CCC(N3CCNC3=O)CC2)c1 ZINC000127639051 1415824796 /nfs/dbraw/zinc/82/47/96/1415824796.db2.gz AHBRMDINSMIZKI-UHFFFAOYSA-N 0 3 390.487 3.127 10 30 GGEEHN O=C(NCCN[C@@H](Cc1cccc(F)c1)c1cccc(F)c1)C1N=CC=CC1=O ZINC000180882572 1430087248 /nfs/dbraw/zinc/08/72/48/1430087248.db2.gz DJQZXAKYHJNXFO-XQDODVJUSA-N 0 3 397.425 3.365 10 30 GGEEHN O=C(NCCN[C@H](Cc1cccc(F)c1)c1cccc(F)c1)C1N=CC=CC1=O ZINC000180882590 1430087468 /nfs/dbraw/zinc/08/74/68/1430087468.db2.gz DJQZXAKYHJNXFO-LURZSEBBSA-N 0 3 397.425 3.365 10 30 GGEEHN C=CCN(Cc1ccc(C)cc1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000043059886 212042598 /nfs/dbraw/zinc/04/25/98/212042598.db2.gz RXDSKJGQFCOEGP-JOCHJYFZSA-N 0 3 398.457 3.441 10 30 GGEEHN CCN(CC)S(=O)(=O)c1ccc(C(C#N)C(=O)c2ccc(C)c(C)c2)nc1 ZINC000058157921 520809330 /nfs/dbraw/zinc/80/93/30/520809330.db2.gz XJXVDRUDHLVFDV-GOSISDBHSA-N 0 3 385.489 3.219 10 30 GGEEHN O=C(c1ccc(Cl)s1)C(C(=S)[N-]C[C@H]1CCCO1)[n+]1ccccc1 ZINC000028605940 564363425 /nfs/dbraw/zinc/36/34/25/564363425.db2.gz IMWMUTBHVSLOAB-GFCCVEGCSA-O 0 3 381.930 3.396 10 30 GGEEHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1coc(Br)c1 ZINC000065930614 564753244 /nfs/dbraw/zinc/75/32/44/564753244.db2.gz AKZCOYGTVFRJBN-UHFFFAOYSA-N 0 3 376.254 3.118 10 30 GGEEHN C[C@@H]1CC[C@H](C)N1[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)C1 ZINC000139249170 564868728 /nfs/dbraw/zinc/86/87/28/564868728.db2.gz CHFQCKFDGWYYSY-IJEWVQPXSA-N 0 3 381.929 3.238 10 30 GGEEHN C[C@@H]1CC[C@@H](C)N1[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)C1 ZINC000139249398 564868748 /nfs/dbraw/zinc/86/87/48/564868748.db2.gz CHFQCKFDGWYYSY-IIAWOOMASA-N 0 3 381.929 3.238 10 30 GGEEHN C=C(C)CN1CCC(NC(=O)c2cc(C)ccc2I)CC1 ZINC000106035380 564976916 /nfs/dbraw/zinc/97/69/16/564976916.db2.gz WULSMSHCZJCIAA-UHFFFAOYSA-N 0 3 398.288 3.370 10 30 GGEEHN C=CC[C@H](CO)NCc1cc(Br)c(OC(F)F)c(OCC)c1 ZINC000184280050 565125588 /nfs/dbraw/zinc/12/55/88/565125588.db2.gz XYCXRAURIPPIAJ-LLVKDONJSA-N 0 3 380.229 3.476 10 30 GGEEHN N#CCCOCCN1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000292696360 565129643 /nfs/dbraw/zinc/12/96/43/565129643.db2.gz CZBZBZMNHJPFRG-UHFFFAOYSA-N 0 3 380.286 3.030 10 30 GGEEHN Cc1nsc(NC(=O)NC[C@H]2CCCN(Cc3cccs3)C2)c1C#N ZINC000297501438 565374495 /nfs/dbraw/zinc/37/44/95/565374495.db2.gz VBZBDXIAKTXXMM-CYBMUJFWSA-N 0 3 375.523 3.418 10 30 GGEEHN C=CCN1CCC(NC(=O)N[C@H](C)Cc2ccc(Br)cc2)CC1 ZINC000171717253 565446602 /nfs/dbraw/zinc/44/66/02/565446602.db2.gz PUDNDAFYINARDX-CQSZACIVSA-N 0 3 380.330 3.330 10 30 GGEEHN COCCn1cc(NC(=O)C(C#N)c2nc3cc(Cl)ccc3s2)cn1 ZINC000190014353 565501717 /nfs/dbraw/zinc/50/17/17/565501717.db2.gz DODJJHYSSMIFJG-LBPRGKRZSA-N 0 3 375.841 3.038 10 30 GGEEHN C[C@@H]1CC[C@H](C)N1[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)C1 ZINC000408071589 565593556 /nfs/dbraw/zinc/59/35/56/565593556.db2.gz CHFQCKFDGWYYSY-LZWOXQAQSA-N 0 3 381.929 3.238 10 30 GGEEHN C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000329415997 565666280 /nfs/dbraw/zinc/66/62/80/565666280.db2.gz FNICYQXEEAFYEA-HUBLWGQQSA-N 0 3 384.307 3.239 10 30 GGEEHN C[C@@H](NS(=O)(=O)c1ccc(Cl)c(C#N)c1)[C@@H]1CCCN(C2CCC2)C1 ZINC000183018540 566234960 /nfs/dbraw/zinc/23/49/60/566234960.db2.gz QFLZGJVBFRKANJ-ZIAGYGMSSA-N 0 3 381.929 3.143 10 30 GGEEHN COc1ccc([C@@H](C)NC[C@H](O)CC2(C#N)CCOCC2)cc1Br ZINC000599351519 566254381 /nfs/dbraw/zinc/25/43/81/566254381.db2.gz ZDFHXLRTLMLEOL-UKRRQHHQSA-N 0 3 397.313 3.180 10 30 GGEEHN COc1cc(Br)ccc1[C@@H](C)NC[C@@H](O)CC1(C#N)CCOCC1 ZINC000599387581 566260682 /nfs/dbraw/zinc/26/06/82/566260682.db2.gz YHLGOPNWQPULNK-HIFRSBDPSA-N 0 3 397.313 3.180 10 30 GGEEHN N#Cc1ccc(F)c(CN[C@]2(CO)CCc3cc(Br)ccc3C2)c1 ZINC000599573216 566275709 /nfs/dbraw/zinc/27/57/09/566275709.db2.gz MXNKTDQNXRRJEE-LJQANCHMSA-N 0 3 389.268 3.469 10 30 GGEEHN N#Cc1cc(Br)ccc1CC(=O)NC[C@H]1CCN1C1CCCCC1 ZINC000600230010 566326461 /nfs/dbraw/zinc/32/64/61/566326461.db2.gz NTKNYDPJTQYZEU-GOSISDBHSA-N 0 3 390.325 3.386 10 30 GGEEHN N#CC1(C[C@H](O)CNCc2ccc(Br)cc2Cl)CCOCC1 ZINC000600721009 566359754 /nfs/dbraw/zinc/35/97/54/566359754.db2.gz JTTMRZXSAJNPKC-AWEZNQCLSA-N 0 3 387.705 3.263 10 30 GGEEHN N#CC1(C[C@@H](O)CNCc2cccc(Br)c2Cl)CCOCC1 ZINC000600734094 566360218 /nfs/dbraw/zinc/36/02/18/566360218.db2.gz AMDCAXBKSMKWNV-CYBMUJFWSA-N 0 3 387.705 3.263 10 30 GGEEHN N#CC1(C[C@@H](O)CN[C@H]2CCc3c2ccc(F)c3Br)CCOCC1 ZINC000600738265 566362156 /nfs/dbraw/zinc/36/21/56/566362156.db2.gz ZTQGXTZAHWZRCM-WBMJQRKESA-N 0 3 397.288 3.236 10 30 GGEEHN CN1CCN(CCNc2c(Br)cc(Cl)cc2C#N)CC1(C)C ZINC000557673587 566408073 /nfs/dbraw/zinc/40/80/73/566408073.db2.gz NQRPHXXGTLPOKO-UHFFFAOYSA-N 0 3 385.737 3.412 10 30 GGEEHN C[C@@](CO)(NCCOc1ccc(C#N)cc1)c1ccc(Br)cc1 ZINC000511604258 566475041 /nfs/dbraw/zinc/47/50/41/566475041.db2.gz FDJLHKWMYDRCDQ-SFHVURJKSA-N 0 3 375.266 3.197 10 30 GGEEHN C[C@](CO)(NCCOc1cccc(C#N)c1)c1ccc(Br)cc1 ZINC000511623258 566477003 /nfs/dbraw/zinc/47/70/03/566477003.db2.gz NLRVSFZOKGPERD-GOSISDBHSA-N 0 3 375.266 3.197 10 30 GGEEHN C=C(C)CN1CCC(NC(=O)[C@@H]2CCOc3ccc(Br)cc32)CC1 ZINC000651273189 566505306 /nfs/dbraw/zinc/50/53/06/566505306.db2.gz FPBFCLMGZVCCIZ-MRXNPFEDSA-N 0 3 393.325 3.472 10 30 GGEEHN C=CCOc1c(Br)cc(CN2CC[C@H](c3nc[nH]n3)C2)cc1OC ZINC000425361275 566635193 /nfs/dbraw/zinc/63/51/93/566635193.db2.gz XFZQLOODJMLHJO-ZDUSSCGKSA-N 0 3 393.285 3.130 10 30 GGEEHN N#Cc1ccc2ncc(CN[C@@H]3CCN(c4cccc(Br)c4)C3)n2c1 ZINC000487181747 566653685 /nfs/dbraw/zinc/65/36/85/566653685.db2.gz SCZUHOOQVRYUGL-MRXNPFEDSA-N 0 3 396.292 3.337 10 30 GGEEHN C=CCN1CCC(NC(=O)[C@H]2[C@@H]3c4ccc(Br)cc4C[C@H]23)CC1 ZINC000630943420 566765511 /nfs/dbraw/zinc/76/55/11/566765511.db2.gz PGPLLDYWHFOEMU-RCCFBDPRSA-N 0 3 375.310 3.101 10 30 GGEEHN Cc1cc(Br)cn2c(CNCCOc3ccc(C#N)cc3)cnc12 ZINC000542305905 566792048 /nfs/dbraw/zinc/79/20/48/566792048.db2.gz LWSDBORIWZZDTM-UHFFFAOYSA-N 0 3 385.265 3.446 10 30 GGEEHN COc1cc(CNC[C@H](O)COc2ccc(Cl)cc2Cl)ccc1C#N ZINC000517924892 566854285 /nfs/dbraw/zinc/85/42/85/566854285.db2.gz DMUFKXHWFONFNR-HNNXBMFYSA-N 0 3 381.259 3.403 10 30 GGEEHN [NH3+]C[C@H]([N-]C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)C(F)(F)F ZINC000655910859 566859429 /nfs/dbraw/zinc/85/94/29/566859429.db2.gz DAXWGYFLKSNLNP-HAFWLYHUSA-N 0 3 389.262 3.085 10 30 GGEEHN O=C(N[C@@H]1CNCCC1(F)F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000519829332 566972237 /nfs/dbraw/zinc/97/22/37/566972237.db2.gz YBMFNBIGPMYRDX-SNVBAGLBSA-N 0 3 376.247 3.451 10 30 GGEEHN N#Cc1c(NC(=O)CCN[C@@H](CO)c2ccsc2)sc2c1CCCC2 ZINC000473177649 567067949 /nfs/dbraw/zinc/06/79/49/567067949.db2.gz NXCYYUVAWFXBJW-HNNXBMFYSA-N 0 3 375.519 3.212 10 30 GGEEHN N#Cc1ccc(Br)c(CN[C@@H](C2CCOCC2)C2(CO)CCC2)c1 ZINC000565888305 567108327 /nfs/dbraw/zinc/10/83/27/567108327.db2.gz UEAGGLVBVAULMR-SFHVURJKSA-N 0 3 393.325 3.368 10 30 GGEEHN N#Cc1ccc(OCCNC[C@H](O)COc2cc(Cl)ccc2Cl)cc1 ZINC000566117405 567128216 /nfs/dbraw/zinc/12/82/16/567128216.db2.gz UWAWKNCKNOEBDO-HNNXBMFYSA-N 0 3 381.259 3.273 10 30 GGEEHN [NH3+]C[C@H]([N-]C(=O)NC(CCC(F)(F)F)CCC(F)(F)F)C(F)(F)F ZINC000659024801 567179438 /nfs/dbraw/zinc/17/94/38/567179438.db2.gz JUCBCDOTGOOZCS-ZETCQYMHSA-N 0 3 377.251 3.229 10 30 GGEEHN N#Cc1cc(Br)ccc1CC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000593010921 567377676 /nfs/dbraw/zinc/37/76/76/567377676.db2.gz FMDJYWYBSALSQU-IBGZPJMESA-N 0 3 398.304 3.254 10 30 GGEEHN C[C@H](C1CCN(C)CC1)N(C)C(=O)Cc1ccc(Br)cc1C#N ZINC000593110429 567387191 /nfs/dbraw/zinc/38/71/91/567387191.db2.gz GGCPILWZAZNROE-CYBMUJFWSA-N 0 3 378.314 3.052 10 30 GGEEHN CC(C)(CNC(=O)Cc1ccc(Br)cc1C#N)N1CCCCC1 ZINC000593388782 567410042 /nfs/dbraw/zinc/41/00/42/567410042.db2.gz LPSWLGPRLMJBKS-UHFFFAOYSA-N 0 3 378.314 3.244 10 30 GGEEHN C[C@H](CNC(=O)Cc1ccc(Br)cc1C#N)N1CCC(C)CC1 ZINC000593421733 567411732 /nfs/dbraw/zinc/41/17/32/567411732.db2.gz CDFJTAPWLGLBRH-CQSZACIVSA-N 0 3 378.314 3.100 10 30 GGEEHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)Cc1ccc(Br)cc1C#N ZINC000593420295 567412390 /nfs/dbraw/zinc/41/23/90/567412390.db2.gz LSJSRTVAEWCPSD-ZIAGYGMSSA-N 0 3 378.314 3.100 10 30 GGEEHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)Cc1ccc(Br)cc1C#N ZINC000593420294 567412586 /nfs/dbraw/zinc/41/25/86/567412586.db2.gz LSJSRTVAEWCPSD-UONOGXRCSA-N 0 3 378.314 3.100 10 30 GGEEHN N#Cc1cc(Br)ccc1CC(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000593448093 567413389 /nfs/dbraw/zinc/41/33/89/567413389.db2.gz NURUCFWFZSOYLX-GOSISDBHSA-N 0 3 390.325 3.340 10 30 GGEEHN C=C(C)CN1CCC(NC(=O)Cc2ccc(Br)cc2C#N)CC1 ZINC000593452803 567414339 /nfs/dbraw/zinc/41/43/39/567414339.db2.gz GHVNRTUQSAJYQR-UHFFFAOYSA-N 0 3 376.298 3.020 10 30 GGEEHN CC[C@@H]1CCCCN1CCNC(=O)Cc1ccc(Br)cc1C#N ZINC000593470567 567416898 /nfs/dbraw/zinc/41/68/98/567416898.db2.gz SWDWAKTZWLNEIY-QGZVFWFLSA-N 0 3 378.314 3.244 10 30 GGEEHN CCN(CC)CCN(Cc1ccccc1)S(=O)(=O)c1ccsc1C#N ZINC000593539970 567422025 /nfs/dbraw/zinc/42/20/25/567422025.db2.gz ZGUZCYFDWPCVRX-UHFFFAOYSA-N 0 3 377.535 3.152 10 30 GGEEHN CN1CC[C@H](NC(=O)Cc2ccc(Br)cc2C#N)[C@H]1c1ccccc1 ZINC000593560216 567423460 /nfs/dbraw/zinc/42/34/60/567423460.db2.gz QTXYVUPTBMUYBA-AZUAARDMSA-N 0 3 398.304 3.425 10 30 GGEEHN CN1CC[C@@H](NC(=O)Cc2ccc(Br)cc2C#N)[C@H]1c1ccccc1 ZINC000593560223 567424122 /nfs/dbraw/zinc/42/41/22/567424122.db2.gz QTXYVUPTBMUYBA-UYAOXDASSA-N 0 3 398.304 3.425 10 30 GGEEHN CN1CC[C@@H](NC(=O)Cc2ccc(Br)cc2C#N)[C@@H]1c1ccccc1 ZINC000593560222 567424157 /nfs/dbraw/zinc/42/41/57/567424157.db2.gz QTXYVUPTBMUYBA-QUCCMNQESA-N 0 3 398.304 3.425 10 30 GGEEHN N#CCCCC[C@H](N)C(=O)Nc1ccnn1Cc1cccc(Br)c1 ZINC000594430003 567474041 /nfs/dbraw/zinc/47/40/41/567474041.db2.gz YULIRAOYJSKCQS-HNNXBMFYSA-N 0 3 390.285 3.044 10 30 GGEEHN N#CCCCC[C@H](N)C(=O)Nc1nnc(SCc2ccc(F)cc2)s1 ZINC000594427738 567474661 /nfs/dbraw/zinc/47/46/61/567474661.db2.gz WGBFILXVBKUIJJ-ZDUSSCGKSA-N 0 3 379.486 3.319 10 30 GGEEHN CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)[C@H](N)CCCCC#N ZINC000594430226 567474942 /nfs/dbraw/zinc/47/49/42/567474942.db2.gz XGHIULYRMMJIEJ-CQSZACIVSA-N 0 3 385.295 3.192 10 30 GGEEHN CN(CC1(c2ccc(Br)cc2)CC1)C(=O)[C@@H](N)CCCCC#N ZINC000594432585 567475383 /nfs/dbraw/zinc/47/53/83/567475383.db2.gz DKPSYGZJCBJKFZ-INIZCTEOSA-N 0 3 378.314 3.350 10 30 GGEEHN N#CCCCC[C@@H](N)C(=O)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000594434324 567476024 /nfs/dbraw/zinc/47/60/24/567476024.db2.gz NPMZBQDUXQPIDU-CVEARBPZSA-N 0 3 388.270 3.444 10 30 GGEEHN Cc1cc(NC(=O)[C@@H](N)CCCCC#N)nn1-c1ccc(Cl)cc1Cl ZINC000594444664 567476131 /nfs/dbraw/zinc/47/61/31/567476131.db2.gz BGUICWXPWZZYEO-AWEZNQCLSA-N 0 3 380.279 3.259 10 30 GGEEHN N#CCCCC[C@H](N)C(=O)NCc1cc(Br)ccc1OC(F)F ZINC000594438429 567476380 /nfs/dbraw/zinc/47/63/80/567476380.db2.gz NVLAJGSVLQSQFP-LBPRGKRZSA-N 0 3 390.228 3.078 10 30 GGEEHN C[C@H](CNC(=O)[C@H](N)CCCCC#N)Sc1ccc(Br)cc1 ZINC000594433250 567476416 /nfs/dbraw/zinc/47/64/16/567476416.db2.gz DZYZMTZPHFZGFM-IUODEOHRSA-N 0 3 384.343 3.457 10 30 GGEEHN N#CC1(c2ccc(CNCCNS(=O)(=O)c3ccc(Cl)s3)cc2)CC1 ZINC000594959144 567528614 /nfs/dbraw/zinc/52/86/14/567528614.db2.gz UOLFYXVTRZJUBD-UHFFFAOYSA-N 0 3 395.937 3.025 10 30 GGEEHN C=CCOc1c(Br)cc(CNCC[C@H](O)C(F)(F)F)cc1OC ZINC000571448478 567563234 /nfs/dbraw/zinc/56/32/34/567563234.db2.gz IQJAIQJLVNEXGI-ZDUSSCGKSA-N 0 3 398.219 3.425 10 30 GGEEHN C=CCOc1c(Br)cc(CN2CC[C@@H]3CN(C)C[C@H]32)cc1OC ZINC000644840278 567582692 /nfs/dbraw/zinc/58/26/92/567582692.db2.gz JUBSYAFKVLUWRC-GDBMZVCRSA-N 0 3 381.314 3.158 10 30 GGEEHN N#CCCCC[C@H](N)C(=O)N1CCc2[nH]c3ccc(Br)cc3c2C1 ZINC000595970793 567596250 /nfs/dbraw/zinc/59/62/50/567596250.db2.gz ZOMMYNTWKSZKTI-HNNXBMFYSA-N 0 3 389.297 3.226 10 30 GGEEHN N#CCCCC[C@@H](N)C(=O)N1CCc2[nH]c3ccc(Br)cc3c2C1 ZINC000595970797 567596555 /nfs/dbraw/zinc/59/65/55/567596555.db2.gz ZOMMYNTWKSZKTI-OAHLLOKOSA-N 0 3 389.297 3.226 10 30 GGEEHN C[C@@H]1[C@@H](c2ccc(Br)cc2)OCCN1C(=O)[C@H](N)CCCCC#N ZINC000595970545 567596726 /nfs/dbraw/zinc/59/67/26/567596726.db2.gz XPYKZXJIXBPUAT-XYPHTWIQSA-N 0 3 394.313 3.149 10 30 GGEEHN CN(CCC#N)C[C@H](O)CN[C@@H]1CCCCc2cc(Br)ccc21 ZINC000596066085 567607023 /nfs/dbraw/zinc/60/70/23/567607023.db2.gz MACWYWPPUZHSKL-SJLPKXTDSA-N 0 3 380.330 3.013 10 30 GGEEHN N#Cc1cc(F)c(N2CCC(N3CCCOCC3)CC2)cc1Br ZINC000596269332 567620306 /nfs/dbraw/zinc/62/03/06/567620306.db2.gz RIXYYYNSBHHVKD-UHFFFAOYSA-N 0 3 382.277 3.151 10 30 GGEEHN C[C@H]1C[C@H](C)CN(C(C)(C)CNS(=O)(=O)c2ccc(Cl)c(C#N)c2)C1 ZINC000507282060 567672855 /nfs/dbraw/zinc/67/28/55/567672855.db2.gz RFYVDYPNLUUPRI-KBPBESRZSA-N 0 3 383.945 3.246 10 30 GGEEHN CC(C)(C#N)C[C@@H](O)CNCc1ccc(I)cc1Cl ZINC000598725684 567785777 /nfs/dbraw/zinc/78/57/77/567785777.db2.gz ZAOITJCTOFADAH-GFCCVEGCSA-N 0 3 392.668 3.335 10 30 GGEEHN CCn1c(CNC[C@@H](O)CC(C)(C)C#N)nc2cc(Br)ccc21 ZINC000598724966 567786034 /nfs/dbraw/zinc/78/60/34/567786034.db2.gz SKHBWWWHPTURND-ZDUSSCGKSA-N 0 3 379.302 3.209 10 30 GGEEHN CC(C)(C#N)C[C@H](O)CNCc1ccc(I)cc1Cl ZINC000598725685 567786150 /nfs/dbraw/zinc/78/61/50/567786150.db2.gz ZAOITJCTOFADAH-LBPRGKRZSA-N 0 3 392.668 3.335 10 30 GGEEHN N#CCCCCNCc1cc(Cl)cc(Cl)c1OCCN1CCOCC1 ZINC000598961942 567801045 /nfs/dbraw/zinc/80/10/45/567801045.db2.gz DANBWVRGZSBGKG-UHFFFAOYSA-N 0 3 386.323 3.488 10 30 GGEEHN N#Cc1ccc(CN[C@@]2(CO)CCc3cc(Br)ccc3C2)c(F)c1 ZINC000598993768 567801615 /nfs/dbraw/zinc/80/16/15/567801615.db2.gz NEHVJDFWVKHFKV-IBGZPJMESA-N 0 3 389.268 3.469 10 30 GGEEHN N#Cc1csc(CN[C@@]2(CO)CCc3cc(Br)ccc3C2)c1 ZINC000598993279 567801989 /nfs/dbraw/zinc/80/19/89/567801989.db2.gz JLELBAMQBDVXGC-KRWDZBQOSA-N 0 3 377.307 3.392 10 30 GGEEHN N#Cc1csc(CN[C@]2(CO)CCc3cc(Br)ccc3C2)c1 ZINC000598993281 567802047 /nfs/dbraw/zinc/80/20/47/567802047.db2.gz JLELBAMQBDVXGC-QGZVFWFLSA-N 0 3 377.307 3.392 10 30 GGEEHN C=CCN1CCC(NC(=O)c2c(F)c(F)c(Br)c(F)c2F)CC1 ZINC000668368648 567808085 /nfs/dbraw/zinc/80/80/85/567808085.db2.gz CFZCORYOGWRFMZ-UHFFFAOYSA-N 0 3 395.194 3.386 10 30 GGEEHN C=CCN1CCC(NC(=O)c2cc(Br)cc(N3CCCC3)c2)CC1 ZINC000668370305 567808966 /nfs/dbraw/zinc/80/89/66/567808966.db2.gz UJQHYHRWARTYST-UHFFFAOYSA-N 0 3 392.341 3.430 10 30 GGEEHN C=CCOc1c(Br)cc(CN(C)CC2CN(C)C2)cc1OCC ZINC000668538293 567813258 /nfs/dbraw/zinc/81/32/58/567813258.db2.gz YZVYLEOLLMBTIR-UHFFFAOYSA-N 0 3 383.330 3.406 10 30 GGEEHN C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCN(CCC(C)(C)C)CC1 ZINC000079216017 1409962396 /nfs/dbraw/zinc/96/23/96/1409962396.db2.gz DEVMBUQWRNRNHT-LVIWNVNYSA-N 0 3 376.589 3.360 10 30 GGEEHN C[C@@H](N[C@H](C)c1ccc2c(c1)CC(=O)N2C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000271763885 1434848733 /nfs/dbraw/zinc/84/87/33/1434848733.db2.gz BRQIVRQGTYUFCT-IHSWXRNOSA-N 0 3 396.535 3.175 10 30 GGEEHN C[C@H](N[C@@H](C)c1ccc2c(c1)CC(=O)N2C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000271763888 1434848757 /nfs/dbraw/zinc/84/87/57/1434848757.db2.gz BRQIVRQGTYUFCT-LLUXXFGUSA-N 0 3 396.535 3.175 10 30 GGEEHN COc1ccc(C#N)cc1CN[C@](C)(CO)Cc1ccc(Br)cc1 ZINC001198219508 1126155129 /nfs/dbraw/zinc/15/51/29/1126155129.db2.gz OXSIUXYDKIFCHM-IBGZPJMESA-N 0 3 389.293 3.413 10 30 GGEEHN COc1ccc(C#N)cc1CN[C@@](C)(CO)Cc1ccc(Br)cc1 ZINC001198219509 1126155032 /nfs/dbraw/zinc/15/50/32/1126155032.db2.gz OXSIUXYDKIFCHM-LJQANCHMSA-N 0 3 389.293 3.413 10 30 GGEEHN C#CCOc1ccc(Br)cc1CN[C@H](CO)Cc1cccc(C)c1 ZINC001461431487 1126194286 /nfs/dbraw/zinc/19/42/86/1126194286.db2.gz KOCNJWLHRIKVOY-IBGZPJMESA-N 0 3 388.305 3.463 10 30 GGEEHN Cc1[n-]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1C=NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000018046396 221386390 /nfs/dbraw/zinc/38/63/90/221386390.db2.gz OBSFRQZVLAZMGE-CIAFOILYSA-N 0 3 385.468 3.110 10 30 GGEEHN CN(Cc1ccc(C#N)cc1)C[C@H](O)COc1cccc(Br)c1 ZINC000046835912 564509417 /nfs/dbraw/zinc/50/94/17/564509417.db2.gz CKPVZDSMLNJKAM-KRWDZBQOSA-N 0 3 375.266 3.192 10 30 GGEEHN COc1cccc(C(=O)C(C(=S)[N-]CCSC)[n+]2cccc(C)c2)c1 ZINC000131310666 564708530 /nfs/dbraw/zinc/70/85/30/564708530.db2.gz SNJPTWLPSKBETR-UHFFFAOYSA-O 0 3 375.539 3.183 10 30 GGEEHN N#Cc1cccc(OCCCN[C@H](CO)c2cccc(Br)c2)c1 ZINC000183896749 565101291 /nfs/dbraw/zinc/10/12/91/565101291.db2.gz NRKBDWIECXDSTO-GOSISDBHSA-N 0 3 375.266 3.413 10 30 GGEEHN COc1cc(C#N)ccc1OCCN[C@H](CO)c1cccc(Br)c1 ZINC000183911995 565102918 /nfs/dbraw/zinc/10/29/18/565102918.db2.gz FVSOWVWZMISFFB-MRXNPFEDSA-N 0 3 391.265 3.031 10 30 GGEEHN Cc1nsc(NC(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)c1C#N ZINC000297501439 565374765 /nfs/dbraw/zinc/37/47/65/565374765.db2.gz VBZBDXIAKTXXMM-ZDUSSCGKSA-N 0 3 375.523 3.418 10 30 GGEEHN N#Cc1cc(Br)ccc1N1CC[C@@H](OCCN2CCCCC2)C1 ZINC000302099529 565530589 /nfs/dbraw/zinc/53/05/89/565530589.db2.gz UNHADNBARJBPBQ-QGZVFWFLSA-N 0 3 378.314 3.402 10 30 GGEEHN C[C@@H]1CC[C@@H](C)N1[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)C1 ZINC000408071585 565593368 /nfs/dbraw/zinc/59/33/68/565593368.db2.gz CHFQCKFDGWYYSY-FMKPAKJESA-N 0 3 381.929 3.238 10 30 GGEEHN C[C@@H]1CN(C2CCN(Cc3cc(C#N)ccc3Br)CC2)CCO1 ZINC000191777549 565630662 /nfs/dbraw/zinc/63/06/62/565630662.db2.gz BCEZOLPJHIYXOU-CQSZACIVSA-N 0 3 378.314 3.006 10 30 GGEEHN C=CCOc1ccc(Br)cc1NC(=O)N[C@@H]1CNCCC1(F)F ZINC000415809818 566020139 /nfs/dbraw/zinc/02/01/39/566020139.db2.gz VWIVUGSWINJTLL-CYBMUJFWSA-N 0 3 390.228 3.133 10 30 GGEEHN C=CCN1CCC(NC(=O)N[C@@H]2CCOc3ccc(Br)cc32)CC1 ZINC000264361010 566212742 /nfs/dbraw/zinc/21/27/42/566212742.db2.gz DTIZZNBJQMOGOA-MRXNPFEDSA-N 0 3 394.313 3.222 10 30 GGEEHN N#CC1(C[C@H](O)CNC2(c3ccc(Br)cc3)CC2)CCOCC1 ZINC000599349481 566255132 /nfs/dbraw/zinc/25/51/32/566255132.db2.gz OMFAOJFAQUWWMZ-INIZCTEOSA-N 0 3 379.298 3.099 10 30 GGEEHN C[C@H](NC[C@@H](O)CC1(C#N)CCOCC1)c1ccc(Br)cc1F ZINC000599417052 566264326 /nfs/dbraw/zinc/26/43/26/566264326.db2.gz QAAOXMATBGXPBP-JSGCOSHPSA-N 0 3 385.277 3.310 10 30 GGEEHN C[C@H](NC[C@@H](O)CC1(C#N)CCOCC1)c1ccc(F)c(Br)c1 ZINC000599429473 566264658 /nfs/dbraw/zinc/26/46/58/566264658.db2.gz YQQNHDMPEBHXND-JSGCOSHPSA-N 0 3 385.277 3.310 10 30 GGEEHN N#CC1(C[C@@H](O)CNC2(c3ccccc3Br)CCC2)CCOCC1 ZINC000599452943 566265483 /nfs/dbraw/zinc/26/54/83/566265483.db2.gz ZYAUGAJOHJIDAH-OAHLLOKOSA-N 0 3 393.325 3.489 10 30 GGEEHN C=CCN1CCC(NC(=O)[C@@H]2[C@@H]3Cc4c(cccc4Br)[C@@H]32)CC1 ZINC000625320646 566305696 /nfs/dbraw/zinc/30/56/96/566305696.db2.gz CYWBTTLMPATJBT-BPQIPLTHSA-N 0 3 375.310 3.101 10 30 GGEEHN N#Cc1cc(Cl)c(C(=O)N2CCC(N3CCCOCC3)CC2)c(Cl)c1 ZINC000600007434 566309091 /nfs/dbraw/zinc/30/90/91/566309091.db2.gz QVBWTHOENXQWFE-UHFFFAOYSA-N 0 3 382.291 3.192 10 30 GGEEHN C=CCN1CCC(NC(=O)c2cc3c(cncc3Br)s2)CC1 ZINC000648773618 566311739 /nfs/dbraw/zinc/31/17/39/566311739.db2.gz SIJLPYFUMXFWEI-UHFFFAOYSA-N 0 3 380.311 3.439 10 30 GGEEHN N#CC1(C[C@H](O)CN[C@@H]2CCCN(c3ccc(Cl)cc3Cl)C2=O)CC1 ZINC000600733230 566360622 /nfs/dbraw/zinc/36/06/22/566360622.db2.gz HZYMTRBIAIEFCC-DZGCQCFKSA-N 0 3 382.291 3.133 10 30 GGEEHN N#CC1(C[C@H](O)CNCc2cccc(Br)c2Cl)CCOCC1 ZINC000600734096 566361238 /nfs/dbraw/zinc/36/12/38/566361238.db2.gz AMDCAXBKSMKWNV-ZDUSSCGKSA-N 0 3 387.705 3.263 10 30 GGEEHN N#CC1(C[C@H](O)CN[C@@H]2CCc3c2ccc(F)c3Br)CCOCC1 ZINC000600738255 566362266 /nfs/dbraw/zinc/36/22/66/566362266.db2.gz ZTQGXTZAHWZRCM-BLLLJJGKSA-N 0 3 397.288 3.236 10 30 GGEEHN CN(CCC#N)C[C@@H](O)CN[C@@H]1CCCSc2ccc(Br)cc21 ZINC000600764096 566364252 /nfs/dbraw/zinc/36/42/52/566364252.db2.gz XKJZIZHUNUPXQH-GOEBONIOSA-N 0 3 398.370 3.172 10 30 GGEEHN COc1cnccc1N1CCN(Cc2cc(C#N)ccc2Br)CC1 ZINC000483205202 566364726 /nfs/dbraw/zinc/36/47/26/566364726.db2.gz VSDJSTIVEVRGDD-UHFFFAOYSA-N 0 3 387.281 3.047 10 30 GGEEHN COc1cnccc1N1CCN(Cc2ccc(C#N)cc2Br)CC1 ZINC000483218682 566364834 /nfs/dbraw/zinc/36/48/34/566364834.db2.gz HXVQTKUVTGBTEL-UHFFFAOYSA-N 0 3 387.281 3.047 10 30 GGEEHN C=C[C@@H]1OCC[C@H]1CNCc1c(F)ccc(I)c1F ZINC000424173061 566517784 /nfs/dbraw/zinc/51/77/84/566517784.db2.gz MQHPDSDTMKAUOD-ZANVPECISA-N 0 3 379.188 3.250 10 30 GGEEHN N#CCCC[C@H](N)C(=O)NCc1ccc(Br)cc1C(F)(F)F ZINC000424193392 566518206 /nfs/dbraw/zinc/51/82/06/566518206.db2.gz QSJFOIGTEJUQEF-LBPRGKRZSA-N 0 3 378.192 3.105 10 30 GGEEHN C=C[C@@H]1OCC[C@H]1CNCc1ncc(Br)cc1Br ZINC000424175309 566518539 /nfs/dbraw/zinc/51/85/39/566518539.db2.gz PJXQIPNBVSEPLO-ZANVPECISA-N 0 3 376.092 3.287 10 30 GGEEHN COc1cc(CNC[C@H](O)COc2c(Cl)cccc2Cl)ccc1C#N ZINC000580887951 566731116 /nfs/dbraw/zinc/73/11/16/566731116.db2.gz BKAQLMKQECMQMV-AWEZNQCLSA-N 0 3 381.259 3.403 10 30 GGEEHN C=CCn1c(-c2ccccc2Br)nnc1N1CCCN(CC)CC1 ZINC000562032811 566759412 /nfs/dbraw/zinc/75/94/12/566759412.db2.gz LLYSQGOCOUAMCR-UHFFFAOYSA-N 0 3 390.329 3.426 10 30 GGEEHN C=C(C)CN1CCC(NC(=O)[C@@H]2[C@@H]3Cc4cc(Br)ccc4[C@@H]32)CC1 ZINC000630942300 566765656 /nfs/dbraw/zinc/76/56/56/566765656.db2.gz IREYTCUXHSSEKX-CEXWTWQISA-N 0 3 389.337 3.492 10 30 GGEEHN C=C(C)CN1CCC(NC(=O)Cc2csc(CCC(F)(F)F)n2)CC1 ZINC000630942842 566765994 /nfs/dbraw/zinc/76/59/94/566765994.db2.gz MPLHODNQOBZTBW-UHFFFAOYSA-N 0 3 375.460 3.337 10 30 GGEEHN C=CCN(CC=C)[C@H](CNc1ncc(I)cn1)C(C)C ZINC000609494963 566767081 /nfs/dbraw/zinc/76/70/81/566767081.db2.gz KCNUCEWDLZUMJA-CQSZACIVSA-N 0 3 386.281 3.192 10 30 GGEEHN N#Cc1ccc(OCCNCc2cc(Br)c3c(c2)OCCO3)cc1 ZINC000610271297 566820208 /nfs/dbraw/zinc/82/02/08/566820208.db2.gz ROMQMGUUGWIVRU-UHFFFAOYSA-N 0 3 389.249 3.261 10 30 GGEEHN [NH3+]C[C@H]([N-]C(=O)N[C@H]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)C(F)(F)F ZINC000655910861 566858875 /nfs/dbraw/zinc/85/88/75/566858875.db2.gz DAXWGYFLKSNLNP-OSMVPFSASA-N 0 3 389.262 3.085 10 30 GGEEHN [NH3+]C[C@H]([N-]C(=O)N[C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F)C(F)(F)F ZINC000655929927 566860731 /nfs/dbraw/zinc/86/07/31/566860731.db2.gz XUWCEYJNGSGKHU-IUCAKERBSA-N 0 3 381.679 3.271 10 30 GGEEHN COc1cc(Br)ccc1CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000471154317 566932891 /nfs/dbraw/zinc/93/28/91/566932891.db2.gz OSBVUJHQYUVFSN-MRXNPFEDSA-N 0 3 398.260 3.328 10 30 GGEEHN O=C(N[C@H]1CNCCC1(F)F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000519829331 566972252 /nfs/dbraw/zinc/97/22/52/566972252.db2.gz YBMFNBIGPMYRDX-JTQLQIEISA-N 0 3 376.247 3.451 10 30 GGEEHN C=C(CN[C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1)c1ccccc1 ZINC000430706746 567030974 /nfs/dbraw/zinc/03/09/74/567030974.db2.gz NPEQLGNZUCRALQ-CYBMUJFWSA-N 0 3 395.322 3.461 10 30 GGEEHN N#Cc1c(NC(=O)CCN[C@H](CO)c2ccsc2)sc2c1CCCC2 ZINC000473177650 567067830 /nfs/dbraw/zinc/06/78/30/567067830.db2.gz NXCYYUVAWFXBJW-OAHLLOKOSA-N 0 3 375.519 3.212 10 30 GGEEHN C[C@H](Cn1cc(Br)ccc1=O)NCc1ccc(C#N)c(Cl)c1 ZINC000585726526 567081868 /nfs/dbraw/zinc/08/18/68/567081868.db2.gz PRPWDWJCFIGYKT-LLVKDONJSA-N 0 3 380.673 3.314 10 30 GGEEHN C[C@H](CNCCS(=O)(=O)c1cccc(C#N)c1)Oc1ccccc1Cl ZINC000567690938 567269344 /nfs/dbraw/zinc/26/93/44/567269344.db2.gz MFSQTMDEVMBSRA-CQSZACIVSA-N 0 3 378.881 3.042 10 30 GGEEHN COc1cc(CNC[C@@H](O)COc2ccc(Cl)c(Cl)c2)ccc1C#N ZINC000591766753 567295358 /nfs/dbraw/zinc/29/53/58/567295358.db2.gz ICFGFLKMHIDPAG-CQSZACIVSA-N 0 3 381.259 3.403 10 30 GGEEHN N#Cc1ccc(S(=O)(=O)NCc2ccccc2CN2CCCCC2)s1 ZINC000435441959 567368653 /nfs/dbraw/zinc/36/86/53/567368653.db2.gz FSDGKDYYZVFZME-UHFFFAOYSA-N 0 3 375.519 3.084 10 30 GGEEHN C[C@@H](CNC(=O)Cc1ccc(Br)cc1C#N)N1CCCC[C@H]1C ZINC000593027807 567379830 /nfs/dbraw/zinc/37/98/30/567379830.db2.gz FHYMTXUGWRIYHX-KGLIPLIRSA-N 0 3 378.314 3.242 10 30 GGEEHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)Cc1ccc(Br)cc1C#N ZINC000593110430 567386480 /nfs/dbraw/zinc/38/64/80/567386480.db2.gz GGCPILWZAZNROE-ZDUSSCGKSA-N 0 3 378.314 3.052 10 30 GGEEHN CN1CCCC(C)(C)[C@H]1CNC(=O)Cc1ccc(Br)cc1C#N ZINC000593144550 567389789 /nfs/dbraw/zinc/38/97/89/567389789.db2.gz ZIONDXDKIBWQMJ-MRXNPFEDSA-N 0 3 378.314 3.100 10 30 GGEEHN C[C@H](CNC(=O)Cc1ccc(Br)cc1C#N)N1CCC[C@@H](C)C1 ZINC000593408555 567411642 /nfs/dbraw/zinc/41/16/42/567411642.db2.gz PREDRIUOLAPDIF-ZIAGYGMSSA-N 0 3 378.314 3.100 10 30 GGEEHN CC[C@H]1CCCCN1CCNC(=O)Cc1ccc(Br)cc1C#N ZINC000593470566 567416759 /nfs/dbraw/zinc/41/67/59/567416759.db2.gz SWDWAKTZWLNEIY-KRWDZBQOSA-N 0 3 378.314 3.244 10 30 GGEEHN N#Cc1sccc1S(=O)(=O)NCc1ccccc1CN1CCCCC1 ZINC000593526917 567421330 /nfs/dbraw/zinc/42/13/30/567421330.db2.gz KMNRJRDMNJEREC-UHFFFAOYSA-N 0 3 375.519 3.084 10 30 GGEEHN CN1CC[C@H](NC(=O)Cc2ccc(Br)cc2C#N)[C@@H]1c1ccccc1 ZINC000593560220 567423611 /nfs/dbraw/zinc/42/36/11/567423611.db2.gz QTXYVUPTBMUYBA-ICSRJNTNSA-N 0 3 398.304 3.425 10 30 GGEEHN CC1(N2CCOCC2)CCN(Cc2ccc(C#N)cc2Br)CC1 ZINC000528727485 567450917 /nfs/dbraw/zinc/45/09/17/567450917.db2.gz ROFYNBAMDBZCTD-UHFFFAOYSA-N 0 3 378.314 3.007 10 30 GGEEHN CN(C)CCN(C)c1ccc(Br)cc1NC(=O)CCCCC#N ZINC000594052662 567456073 /nfs/dbraw/zinc/45/60/73/567456073.db2.gz VNIHBKKRVVVYLJ-UHFFFAOYSA-N 0 3 381.318 3.469 10 30 GGEEHN N#CCCCC[C@@H](N)C(=O)NCC1(c2ccc(Br)cc2)CCC1 ZINC000594431405 567474554 /nfs/dbraw/zinc/47/45/54/567474554.db2.gz MAJBFCUIXFBRJR-MRXNPFEDSA-N 0 3 378.314 3.398 10 30 GGEEHN N#CCCCC[C@@H](N)C(=O)Nc1nccn1Cc1ccc(Br)cc1 ZINC000594445433 567476289 /nfs/dbraw/zinc/47/62/89/567476289.db2.gz FMBDTDKJZUAPIE-OAHLLOKOSA-N 0 3 390.285 3.044 10 30 GGEEHN C[C@@H](CNC(=O)[C@H](N)CCCCC#N)Sc1ccc(Br)cc1 ZINC000594433251 567476391 /nfs/dbraw/zinc/47/63/91/567476391.db2.gz DZYZMTZPHFZGFM-SWLSCSKDSA-N 0 3 384.343 3.457 10 30 GGEEHN N#CCCC[C@H](N)C(=O)N1CCN(c2cc(Cl)c(Cl)c(Cl)c2)CC1 ZINC000594456064 567477888 /nfs/dbraw/zinc/47/78/88/567477888.db2.gz RQZVKQALFYDRNL-AWEZNQCLSA-N 0 3 389.714 3.317 10 30 GGEEHN N#Cc1cc(Br)ccc1CN[C@@H](C1CCOCC1)C1(CO)CCC1 ZINC000571075579 567534220 /nfs/dbraw/zinc/53/42/20/567534220.db2.gz UJUUHQHWXRCTKU-SFHVURJKSA-N 0 3 393.325 3.368 10 30 GGEEHN C=CCOc1c(Br)cc(CN2CC[C@H]3CN(C)C[C@H]32)cc1OC ZINC000644840279 567582531 /nfs/dbraw/zinc/58/25/31/567582531.db2.gz JUBSYAFKVLUWRC-GOEBONIOSA-N 0 3 381.314 3.158 10 30 GGEEHN CN(CCC#N)C[C@@H](O)CN[C@H]1CCCCc2cc(Br)ccc21 ZINC000596066086 567606334 /nfs/dbraw/zinc/60/63/34/567606334.db2.gz MACWYWPPUZHSKL-WMZOPIPTSA-N 0 3 380.330 3.013 10 30 GGEEHN CN(CCC#N)C[C@H](O)CN[C@H]1CCCCc2cc(Br)ccc21 ZINC000596066078 567606621 /nfs/dbraw/zinc/60/66/21/567606621.db2.gz MACWYWPPUZHSKL-AEFFLSMTSA-N 0 3 380.330 3.013 10 30 GGEEHN N#Cc1c(Br)cccc1NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000596423778 567631934 /nfs/dbraw/zinc/63/19/34/567631934.db2.gz PCVYVXIEBRBXLL-MRXNPFEDSA-N 0 3 386.293 3.499 10 30 GGEEHN CSc1ccc([C@@H](CNC(=O)Nc2snc(C)c2C#N)N(C)C)cc1 ZINC000459566882 567638029 /nfs/dbraw/zinc/63/80/29/567638029.db2.gz TVPSDQJIHGTOTG-OAHLLOKOSA-N 0 3 375.523 3.470 10 30 GGEEHN COc1cc(CNCCC(=O)Nc2ccc(Br)cc2)ccc1C#N ZINC000440811888 567643954 /nfs/dbraw/zinc/64/39/54/567643954.db2.gz UHGXKNJWIWYXFX-UHFFFAOYSA-N 0 3 388.265 3.448 10 30 GGEEHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCC(C)(C)C(F)(F)F)cc1 ZINC000554350186 567723074 /nfs/dbraw/zinc/72/30/74/567723074.db2.gz VWIIYBOGSZBPNO-SNVBAGLBSA-N 0 3 377.388 3.082 10 30 GGEEHN N#Cc1ccc(CN[C@]2(CO)CCc3cc(Br)ccc3C2)c(F)c1 ZINC000598993769 567801677 /nfs/dbraw/zinc/80/16/77/567801677.db2.gz NEHVJDFWVKHFKV-LJQANCHMSA-N 0 3 389.268 3.469 10 30 GGEEHN CS(=O)(=O)OC[C@@H]1CN(Cc2ccccc2)CC[C@H]1c1ccc(F)cc1 ZINC000022050728 570303274 /nfs/dbraw/zinc/30/32/74/570303274.db2.gz ADWQMOLEYNRWBF-ICSRJNTNSA-N 0 3 377.481 3.408 10 30 in-vitro GGEEHN CCOC(=O)c1nc(N=NCc2ccc(OCCN(C)C)cc2)sc1C ZINC000242437287 570689414 /nfs/dbraw/zinc/68/94/14/570689414.db2.gz BWPRGFSOLZUNNY-UHFFFAOYSA-N 0 3 376.482 3.015 10 30 GGEEHN CCCn1ccnc1CCCN(C)[C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000191510205 1432675702 /nfs/dbraw/zinc/67/57/02/1432675702.db2.gz DPBKUYIZYSLFGI-GSVIPDFHSA-N 0 3 387.572 3.477 10 30 GGEEHN O=C(NCCN[C@H](Cc1cccc(F)c1)c1cccc(F)c1)C1N=CC=CC1=O ZINC000255603253 1433886299 /nfs/dbraw/zinc/88/62/99/1433886299.db2.gz DJQZXAKYHJNXFO-XKXPVHLMSA-N 0 3 397.425 3.365 10 30 GGEEHN Cc1ncsc1CN(C)C[C@@H]1CCN(C(=O)/C=C/c2ccc(C#N)cc2)C1 ZINC000275581657 1435150327 /nfs/dbraw/zinc/15/03/27/1435150327.db2.gz FSHGZLYYRRGOFX-UCFODXPJSA-N 0 3 380.517 3.317 10 30 GGEEHN Cc1ncsc1CN(C)C[C@H]1CCN(C(=O)/C=C/c2ccc(C#N)cc2)C1 ZINC000275581655 1435150364 /nfs/dbraw/zinc/15/03/64/1435150364.db2.gz FSHGZLYYRRGOFX-IHHMQQGQSA-N 0 3 380.517 3.317 10 30 GGEEHN