smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name F[C@H](c1ccnc(Cl)c1)N1CCC2(CC1)CN(Cc1cccs1)CCO2 ZINC001164696040 719892175 /nfs/dbraw/zinc/89/21/75/719892175.db2.gz VMYZKULHZLFMHB-SFHVURJKSA-N 0 1 395.931 4.132 20 0 GIADMN Cc1cccc2c(Cl)nnc(N3CCn4c(CN(C)C(C)C)cnc4[C@H]3C)c12 ZINC001164857912 720957901 /nfs/dbraw/zinc/95/79/01/720957901.db2.gz IFJVTTZZOOXRKC-OAHLLOKOSA-N 0 1 398.942 4.210 20 0 GIADMN Cc1nc2ccsc2c(N2CCC[C@]3(CCN3Cc3cccc(F)c3)C2)n1 ZINC001164993940 722191231 /nfs/dbraw/zinc/19/12/31/722191231.db2.gz JQUPTZLJBFCNRV-NRFANRHFSA-N 0 1 382.508 4.384 20 0 GIADMN Fc1cccc(CN2CC[C@]23CCCN(c2cc(Cl)nc(C4CC4)n2)C3)c1 ZINC001164993878 722193855 /nfs/dbraw/zinc/19/38/55/722193855.db2.gz IHBSFSUNJXLYAS-NRFANRHFSA-N 0 1 386.902 4.391 20 0 GIADMN Cc1nc(N2CCC[C@@]3(CCN3Cc3cccc(F)c3)C2)nc2ccccc12 ZINC001164995756 722198335 /nfs/dbraw/zinc/19/83/35/722198335.db2.gz XTWGAMSCZTYONY-HSZRJFAPSA-N 0 1 376.479 4.322 20 0 GIADMN COc1cc(Cl)cc(N2CCC[C@@]3(CCN3Cc3cccc(F)c3)C2)n1 ZINC001164995710 722199103 /nfs/dbraw/zinc/19/91/03/722199103.db2.gz XAUMLRXGFUCZCM-HXUWFJFHSA-N 0 1 375.875 4.128 20 0 GIADMN Cc1cc2ncnc(N3CCC[C@@]4(CCN4Cc4cccc(F)c4)C3)c2s1 ZINC001164995696 722206234 /nfs/dbraw/zinc/20/62/34/722206234.db2.gz PLDVQOIJJHJMET-OAQYLSRUSA-N 0 1 382.508 4.384 20 0 GIADMN Cc1cc(C)cc(C[C@H](C)NC(=O)N(C)C2CCN(CCC(F)(F)F)CC2)c1 ZINC000458489464 823046974 /nfs/dbraw/zinc/04/69/74/823046974.db2.gz XBYBHSKGSJEIDC-KRWDZBQOSA-N 0 1 399.501 4.293 20 0 GIADMN COc1ccccc1C[C@H](C)[N@@H+](C)Cc1oc(-c2ccccc2)nc1C(=O)[O-] ZINC000570521916 823049147 /nfs/dbraw/zinc/04/91/47/823049147.db2.gz PHXDBUUVRPOZMV-HNNXBMFYSA-N 0 1 380.444 4.111 20 0 GIADMN CCO[C@H](C)c1nc(C[NH+]2CCC(Cc3ccccc3C(=O)[O-])CC2)cs1 ZINC000570528681 823050240 /nfs/dbraw/zinc/05/02/40/823050240.db2.gz IHKFWJUKBNYCQD-OAHLLOKOSA-N 0 1 388.533 4.394 20 0 GIADMN Cc1nc(CSc2ccccc2C(=O)Nc2ccc3[nH]nnc3c2)cs1 ZINC000175833341 823050633 /nfs/dbraw/zinc/05/06/33/823050633.db2.gz HTQMKQXZJVBRRK-UHFFFAOYSA-N 0 1 381.486 4.267 20 0 GIADMN Cc1ccc2nc([C@@H]3CCCN(C(=O)[C@@H]4C[C@@]45CCc4ccccc45)C3)[nH]c2c1 ZINC000175835213 823051193 /nfs/dbraw/zinc/05/11/93/823051193.db2.gz QFKWFWZYBLMIQU-KNOQFWTLSA-N 0 1 385.511 4.481 20 0 GIADMN Cc1nc([C@@H](C)NC(=O)c2ccc(Oc3ccc(C(C)(C)C)cc3)nc2)n[nH]1 ZINC000570537414 823051239 /nfs/dbraw/zinc/05/12/39/823051239.db2.gz DGFJWSKVFHHIIR-CYBMUJFWSA-N 0 1 379.464 4.089 20 0 GIADMN CN(CCC1CCOCC1)Cc1coc(-c2ccc(Br)cc2)n1 ZINC000120725787 823053337 /nfs/dbraw/zinc/05/33/37/823053337.db2.gz ZGBMLZGAGMSIOX-UHFFFAOYSA-N 0 1 379.298 4.353 20 0 GIADMN CCS(=O)(=O)c1ccc([C@@H](C)NCc2ccc(C(F)(F)F)s2)cc1 ZINC000570552200 823053398 /nfs/dbraw/zinc/05/33/98/823053398.db2.gz OJTVFKWIXZYOQX-LLVKDONJSA-N 0 1 377.453 4.411 20 0 GIADMN Cc1[nH]ncc1CCCNC(=O)c1cc(NC(=O)CC(C)(C)C)ccc1Cl ZINC000175854472 823056083 /nfs/dbraw/zinc/05/60/83/823056083.db2.gz LCIWRNHPPCQEQD-UHFFFAOYSA-N 0 1 390.915 4.109 20 0 GIADMN O=C([O-])[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000570577348 823056869 /nfs/dbraw/zinc/05/68/69/823056869.db2.gz XUTSZLQHFZXSKW-IWEFOYFVSA-N 0 1 392.908 4.061 20 0 GIADMN CC[C@H](NCc1cc(Br)cc(Br)c1N)c1ccncc1 ZINC000187410228 823058063 /nfs/dbraw/zinc/05/80/63/823058063.db2.gz FVCMDKPHRZCZBT-AWEZNQCLSA-N 0 1 399.130 4.430 20 0 GIADMN CC(C)[C@H]1N(C(=O)NC2CCN([C@H](C)c3ccncc3)CC2)CC12CCCC2 ZINC000458584325 823059798 /nfs/dbraw/zinc/05/97/98/823059798.db2.gz UNFXJCFXADHSHZ-WIYYLYMNSA-N 0 1 384.568 4.217 20 0 GIADMN CN(Cc1nnc[nH]1)C(=O)NCC1(c2ccc(Cl)cc2Cl)CCCCC1 ZINC000458591614 823060493 /nfs/dbraw/zinc/06/04/93/823060493.db2.gz DLDVZECHWFTBME-UHFFFAOYSA-N 0 1 396.322 4.155 20 0 GIADMN CC(C)(O)C1CN(Cc2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)C1 ZINC000570610312 823061996 /nfs/dbraw/zinc/06/19/96/823061996.db2.gz SFXWNCXTQMSHHH-UHFFFAOYSA-N 0 1 387.483 4.488 20 0 GIADMN CNS(=O)(=O)c1ccc([C@@H](C)N[C@H](c2ccc(F)cc2F)C(C)(C)C)cc1 ZINC000120804378 823067614 /nfs/dbraw/zinc/06/76/14/823067614.db2.gz XDDQONBNMQBDQH-BFUOFWGJSA-N 0 1 396.503 4.311 20 0 GIADMN CC[C@@H](CN(CC)C(=O)NC1CCN(Cc2ccncc2)CC1)c1ccccc1 ZINC000187438896 823064040 /nfs/dbraw/zinc/06/40/40/823064040.db2.gz KKIBHMLLKPIJHK-NRFANRHFSA-N 0 1 394.563 4.271 20 0 GIADMN COc1ccccc1NC(=O)C(C#N)C(=O)CC1(CSc2ccccc2)CC1 ZINC000187480310 823071905 /nfs/dbraw/zinc/07/19/05/823071905.db2.gz XIDZPAFVZSTHTM-KRWDZBQOSA-N 0 1 394.496 4.305 20 0 GIADMN Cc1cccc2nc(CCC(=O)Nc3cccc(COCCOC(C)C)c3)[nH]c21 ZINC000175905029 823068692 /nfs/dbraw/zinc/06/86/92/823068692.db2.gz WMEWXDWWDWWKCA-UHFFFAOYSA-N 0 1 395.503 4.384 20 0 GIADMN O[C@@H](CN1CCC[C@H](n2ccc(C(F)(F)F)n2)C1)c1ccc(F)cc1Cl ZINC000187469799 823069208 /nfs/dbraw/zinc/06/92/08/823069208.db2.gz HGHHNBZAASQZIP-WFASDCNBSA-N 0 1 391.796 4.065 20 0 GIADMN Cc1cccc(C)c1[C@@H](C)NC(=O)N(C)C1CCN(CCC(F)(F)F)CC1 ZINC000458670119 823072426 /nfs/dbraw/zinc/07/24/26/823072426.db2.gz TYSCAJAQJJUHCH-MRXNPFEDSA-N 0 1 385.474 4.423 20 0 GIADMN Cc1cccc2nc(CCC(=O)NCc3ccc(Br)c(F)c3)[nH]c21 ZINC000175936244 823076970 /nfs/dbraw/zinc/07/69/70/823076970.db2.gz PIMQBRNTYNQIQW-UHFFFAOYSA-N 0 1 390.256 4.022 20 0 GIADMN CCOc1ccc([C@H](C)N[C@@H](C)C(=O)Nc2ccc(C(C)=O)cc2)cc1OCC ZINC000120854087 823076962 /nfs/dbraw/zinc/07/69/62/823076962.db2.gz ZJAXKKZGUVFIFL-HOTGVXAUSA-N 0 1 398.503 4.364 20 0 GIADMN COC(=O)c1ccc(-c2ccc(CN[C@H](C)c3ccc4n[nH]cc4c3)o2)cc1 ZINC000570728422 823077132 /nfs/dbraw/zinc/07/71/32/823077132.db2.gz PLNDVBOEJPWGEF-CQSZACIVSA-N 0 1 375.428 4.460 20 0 GIADMN O=C(c1cc(C2CC2)nc2ccccc21)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000120847227 823076009 /nfs/dbraw/zinc/07/60/09/823076009.db2.gz XDCSQTRNVKARAK-INIZCTEOSA-N 0 1 387.487 4.128 20 0 GIADMN Cc1ccc(Oc2cc(-c3noc(CCCCc4cn[nH]n4)n3)ccn2)cc1C ZINC000570724475 823076393 /nfs/dbraw/zinc/07/63/93/823076393.db2.gz RCHNUCUOYKUSJC-UHFFFAOYSA-N 0 1 390.447 4.224 20 0 GIADMN C[C@H](NC(=O)c1c2ccccc2nc2c1CCCC2=Cc1ccco1)c1nnc[nH]1 ZINC000175933957 823076429 /nfs/dbraw/zinc/07/64/29/823076429.db2.gz ZAEUPEHCQLLEQL-UZFBZYOGSA-N 0 1 399.454 4.314 20 0 GIADMN CC(C)[C@@H](CC(F)(F)F)NC(=O)N(C)C1CCN(CCC(F)(F)F)CC1 ZINC000458703509 823076564 /nfs/dbraw/zinc/07/65/64/823076564.db2.gz ZXEDKLWTNFKEGR-CYBMUJFWSA-N 0 1 391.400 4.022 20 0 GIADMN C[C@H](CCCC(F)(F)F)NC(=O)N(C)C1CCN(CCC(F)(F)F)CC1 ZINC000458717287 823077732 /nfs/dbraw/zinc/07/77/32/823077732.db2.gz UBBQDHICJWBLME-GFCCVEGCSA-N 0 1 391.400 4.166 20 0 GIADMN Cc1cccnc1[C@@H](N[C@@H](C)C(=O)Nc1nc2ccc(F)cc2s1)C(C)C ZINC000120881696 823081534 /nfs/dbraw/zinc/08/15/34/823081534.db2.gz WKYATRVELXHDFR-GUYCJALGSA-N 0 1 386.496 4.453 20 0 GIADMN Cc1ccc(-c2ccc(CNCc3cccc(OCC(=O)N(C)C)c3)o2)cc1 ZINC000120859776 823078516 /nfs/dbraw/zinc/07/85/16/823078516.db2.gz QXTKPLXVLFIHKK-UHFFFAOYSA-N 0 1 378.472 4.012 20 0 GIADMN CC[C@@H](C(=O)N1CCCn2c(cc3ccccc32)C1)N(C)Cc1ccccc1 ZINC000570735771 823078539 /nfs/dbraw/zinc/07/85/39/823078539.db2.gz DBPONFPDCHZKSJ-QFIPXVFZSA-N 0 1 375.516 4.284 20 0 GIADMN Cn1cc([C@@H]2CN([C@@H](C(=O)Nc3ccccc3)c3ccccc3)CC2(C)C)cn1 ZINC000570735895 823078674 /nfs/dbraw/zinc/07/86/74/823078674.db2.gz AGCMLIJUDIXPGR-FCHUYYIVSA-N 0 1 388.515 4.226 20 0 GIADMN COc1cccc(-c2nc(C)c(C(=O)Nc3cccc(-c4nccn4C)c3)[nH]2)c1 ZINC000120863520 823079042 /nfs/dbraw/zinc/07/90/42/823079042.db2.gz UVGFBTOBGITVQI-UHFFFAOYSA-N 0 1 387.443 4.047 20 0 GIADMN CC(C)n1ncc2cc(CN3CC[C@H](OCCCc4ccccc4)C3)cnc21 ZINC000175950703 823080481 /nfs/dbraw/zinc/08/04/81/823080481.db2.gz CULLMGQTSQCJDK-QFIPXVFZSA-N 0 1 378.520 4.236 20 0 GIADMN CCNC(=O)C(C)(C)CNCc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000120876128 823080970 /nfs/dbraw/zinc/08/09/70/823080970.db2.gz WIWXNOFSHJMNGU-UHFFFAOYSA-N 0 1 385.455 4.081 20 0 GIADMN COC(=O)c1ccccc1-c1ccc(CNCc2ccc(C(C)(C)O)cc2)o1 ZINC000187524718 823081437 /nfs/dbraw/zinc/08/14/37/823081437.db2.gz GMSRNPSWAIQDNA-UHFFFAOYSA-N 0 1 379.456 4.250 20 0 GIADMN O=C(CCc1nccs1)Nc1ccccc1-c1nc(-c2ccccc2)n[nH]1 ZINC000056095140 823083591 /nfs/dbraw/zinc/08/35/91/823083591.db2.gz YXTHYFPHZPEZBU-UHFFFAOYSA-N 0 1 375.457 4.167 20 0 GIADMN O=C(CSc1n[nH]c(=S)s1)Nc1cc(F)ccc1OCC(F)(F)F ZINC000175965674 823083738 /nfs/dbraw/zinc/08/37/38/823083738.db2.gz FKJHFLPCCGYKTD-UHFFFAOYSA-N 0 1 399.416 4.012 20 0 GIADMN CCCc1ccc([C@@H](NC(=O)N[C@H]2CCc3nc[nH]c3C2)c2cccs2)cc1 ZINC000570767487 823084045 /nfs/dbraw/zinc/08/40/45/823084045.db2.gz GCKUICWVEKLLPL-LAUBAEHRSA-N 0 1 394.544 4.370 20 0 GIADMN O=C(CSc1n[nH]c(CCC2CCCC2)n1)c1cccc(N2CCCC2=O)c1 ZINC000120920784 823087008 /nfs/dbraw/zinc/08/70/08/823087008.db2.gz JSCLZPZJWITSHA-UHFFFAOYSA-N 0 1 398.532 4.029 20 0 GIADMN O=C(CSc1nc(CCC2CCCC2)n[nH]1)c1cccc(N2CCCC2=O)c1 ZINC000120920784 823087013 /nfs/dbraw/zinc/08/70/13/823087013.db2.gz JSCLZPZJWITSHA-UHFFFAOYSA-N 0 1 398.532 4.029 20 0 GIADMN O=C(CSc1n[nH]c(=S)s1)N1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000175974143 823086158 /nfs/dbraw/zinc/08/61/58/823086158.db2.gz SOPULQUXDPUFAN-MRXNPFEDSA-N 0 1 399.566 4.467 20 0 GIADMN CCC[C@H](C)NC(=O)[C@H](C)N[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000056153088 823090076 /nfs/dbraw/zinc/09/00/76/823090076.db2.gz BEXLVJWTPSBKKI-BZSNNMDCSA-N 0 1 381.520 4.283 20 0 GIADMN COc1cc(C)c([C@@H](C)N[C@@H](C)C(=O)Nc2ccccc2Cl)cc1OC ZINC000056154043 823090313 /nfs/dbraw/zinc/09/03/13/823090313.db2.gz NKIQCGMWRPIAOS-KGLIPLIRSA-N 0 1 376.884 4.343 20 0 GIADMN CCOc1ccc(NC(=O)[C@H](C)N[C@@H](C)c2cc(OC)c(OC)cc2C)cc1 ZINC000056154056 823090476 /nfs/dbraw/zinc/09/04/76/823090476.db2.gz HZDGRIIEGKUSCV-HOTGVXAUSA-N 0 1 386.492 4.089 20 0 GIADMN COc1cc(C)c([C@H](C)N[C@H](C)C(=O)Nc2ccccc2Cl)cc1OC ZINC000056154046 823090503 /nfs/dbraw/zinc/09/05/03/823090503.db2.gz NKIQCGMWRPIAOS-UONOGXRCSA-N 0 1 376.884 4.343 20 0 GIADMN COc1cc(C)c([C@H](C)N[C@H](C)C(=O)NCc2ccccc2Cl)cc1OC ZINC000056153888 823090592 /nfs/dbraw/zinc/09/05/92/823090592.db2.gz PLOPUYOACDSYPI-LSDHHAIUSA-N 0 1 390.911 4.021 20 0 GIADMN COc1cc(C)c([C@H](C)N[C@@H](C)C(=O)Nc2ccc(F)cc2Cl)cc1OC ZINC000056154173 823090767 /nfs/dbraw/zinc/09/07/67/823090767.db2.gz BNLFOHYHHRLIPD-STQMWFEESA-N 0 1 394.874 4.483 20 0 GIADMN COc1cc(C)c([C@H](C)N[C@H](C)C(=O)Nc2ccc(F)cc2Cl)cc1OC ZINC000056154175 823090849 /nfs/dbraw/zinc/09/08/49/823090849.db2.gz BNLFOHYHHRLIPD-QWHCGFSZSA-N 0 1 394.874 4.483 20 0 GIADMN CC[C@@]1(CO)CCCN(Cc2ncc(-c3ccccc3Br)o2)C1 ZINC000187576079 823091330 /nfs/dbraw/zinc/09/13/30/823091330.db2.gz FSGCJXIAOTYVMF-GOSISDBHSA-N 0 1 379.298 4.089 20 0 GIADMN COc1ccc(NC(=O)[C@@H](C)N[C@H](C)c2cccc(OC(C)C)c2)cc1OC ZINC000056156733 823091433 /nfs/dbraw/zinc/09/14/33/823091433.db2.gz UEUQCAHBMVBFPK-HZPDHXFCSA-N 0 1 386.492 4.169 20 0 GIADMN CN1CC[C@@H](NCc2nc3ccc(F)cc3o2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000570857144 823096779 /nfs/dbraw/zinc/09/67/79/823096779.db2.gz CJSIGFMIUJVXSV-VQIMIIECSA-N 0 1 377.822 4.294 20 0 GIADMN COCC1=CCN(Cc2c(C)nn(-c3ccc(Br)cc3)c2C)CC1 ZINC000187623701 823099704 /nfs/dbraw/zinc/09/97/04/823099704.db2.gz IPLBTQGAHKCNPX-UHFFFAOYSA-N 0 1 390.325 4.030 20 0 GIADMN C[C@@H](N[C@H](C)c1cccc(OCc2ccccn2)c1)C(=O)NC1CCC(C)CC1 ZINC000056201207 823102032 /nfs/dbraw/zinc/10/20/32/823102032.db2.gz TUTQANBUOIERTI-XTBIFASLSA-N 0 1 395.547 4.395 20 0 GIADMN CC(C)c1nc(CNC(=O)NC2(c3c(Cl)cccc3Cl)CCC2)n[nH]1 ZINC000458919600 823106254 /nfs/dbraw/zinc/10/62/54/823106254.db2.gz DKSLHBXOGFHHJJ-UHFFFAOYSA-N 0 1 382.295 4.114 20 0 GIADMN CC(C)c1nc(CNC(=O)NC2(c3ccc(C(F)(F)F)cc3)CCCC2)n[nH]1 ZINC000458919604 823106313 /nfs/dbraw/zinc/10/63/13/823106313.db2.gz DLSYTFCEZJJWDF-UHFFFAOYSA-N 0 1 395.429 4.216 20 0 GIADMN CC(C)(C)c1n[nH]cc1CNCc1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC000121033878 823106505 /nfs/dbraw/zinc/10/65/05/823106505.db2.gz ITQVHTUEEGXRAA-UHFFFAOYSA-N 0 1 380.467 4.388 20 0 GIADMN C[C@H](NCc1nc(=O)c2c3c(sc2[nH]1)CCC3)c1cccc2ccccc21 ZINC000121035357 823106563 /nfs/dbraw/zinc/10/65/63/823106563.db2.gz JUGUDLSSTSWPNZ-ZDUSSCGKSA-N 0 1 375.497 4.477 20 0 GIADMN CC(C)(CNC(=O)N1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1)c1ccccn1 ZINC000458923592 823106925 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CC[C@H](c1ccccc1)[N@H+](CC(=O)[O-])C[C@@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000571537129 823197578 /nfs/dbraw/zinc/19/75/78/823197578.db2.gz CTKPCLVBGGKCKT-IFMALSPDSA-N 0 1 399.531 4.262 20 0 GIADMN CCN(C[C@H]1CCN([C@@H](C)C(=O)Nc2ccccc2C(C)C)C1)CC(F)(F)F ZINC000176403952 823201196 /nfs/dbraw/zinc/20/11/96/823201196.db2.gz SPTGVBLZLKCWFA-DLBZAZTESA-N 0 1 399.501 4.343 20 0 GIADMN CCN(C[C@H]1CCN(Cc2ccc(Br)s2)C1)CC(F)(F)F ZINC000176396073 823198594 /nfs/dbraw/zinc/19/85/94/823198594.db2.gz CWVNXRFHOASXAS-LLVKDONJSA-N 0 1 385.293 4.217 20 0 GIADMN Cc1nc(-c2cccc(NC(=O)NCCN3CCc4ccccc4C3)c2)oc1C ZINC000056731333 823201926 /nfs/dbraw/zinc/20/19/26/823201926.db2.gz WXLHDKSJJJUQBB-UHFFFAOYSA-N 0 1 390.487 4.138 20 0 GIADMN CCN(C[C@@H]1CCN(Cc2cc(Br)cs2)C1)CC(F)(F)F ZINC000176408188 823202096 /nfs/dbraw/zinc/20/20/96/823202096.db2.gz FKSIEZYNYKSWOR-NSHDSACASA-N 0 1 385.293 4.217 20 0 GIADMN O=C([O-])[C@@H]1C[C@@H](C2CCCCC2)C[N@H+]1Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000571583062 823203771 /nfs/dbraw/zinc/20/37/71/823203771.db2.gz UOAXYXOYJFLELV-AEFFLSMTSA-N 0 1 393.911 4.357 20 0 GIADMN CCCCOc1ccccc1NC(=O)NC1CCN(Cc2ccncc2)CC1 ZINC000056750095 823206648 /nfs/dbraw/zinc/20/66/48/823206648.db2.gz FURQSPPTMSBGPZ-UHFFFAOYSA-N 0 1 382.508 4.047 20 0 GIADMN CN1CC[C@H](NCc2ncc(-c3ccccc3F)o2)[C@@H]1c1ccc(F)c(F)c1 ZINC000571604532 823206800 /nfs/dbraw/zinc/20/68/00/823206800.db2.gz URLPVBGKEVADDU-RXVVDRJESA-N 0 1 387.405 4.294 20 0 GIADMN FC(F)(F)Oc1cccc(C2(NCc3cnc(C4CC4)nc3)CCOCC2)c1 ZINC000459514038 823208659 /nfs/dbraw/zinc/20/86/59/823208659.db2.gz LKDNQWNWAISMNQ-UHFFFAOYSA-N 0 1 393.409 4.048 20 0 GIADMN COCCC[C@@H](Cc1ccccc1)[NH2+]Cc1cccc([O-])c1Br ZINC000459523060 823210694 /nfs/dbraw/zinc/21/06/94/823210694.db2.gz ITDBBGPNBSVDAF-KRWDZBQOSA-N 0 1 378.310 4.282 20 0 GIADMN CCOc1cc(CN[C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)ccc1O ZINC000459525534 823211366 /nfs/dbraw/zinc/21/13/66/823211366.db2.gz KVKVGHUBBMZNLN-HNNXBMFYSA-N 0 1 389.801 4.286 20 0 GIADMN CCOc1cc(CN[C@H](CO)c2ccc(Cl)cc2C(F)(F)F)ccc1O ZINC000459525535 823211511 /nfs/dbraw/zinc/21/15/11/823211511.db2.gz KVKVGHUBBMZNLN-OAHLLOKOSA-N 0 1 389.801 4.286 20 0 GIADMN Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)N1CCC2(CC1)OCCc1ccccc12 ZINC000459532561 823213214 /nfs/dbraw/zinc/21/32/14/823213214.db2.gz UKCGCUFQYBLTRI-UXHICEINSA-N 0 1 392.543 4.125 20 0 GIADMN COc1cc([C@H](C)NCc2nc(C(C)C)n3ccccc23)cc(OC)c1OC ZINC000571647248 823213974 /nfs/dbraw/zinc/21/39/74/823213974.db2.gz NPCHGBWZUXZNQB-HNNXBMFYSA-N 0 1 383.492 4.334 20 0 GIADMN COc1ccc2c(c1)[C@@H](NCc1cccnc1OCC(F)F)CCCS2 ZINC000188288226 823214659 /nfs/dbraw/zinc/21/46/59/823214659.db2.gz YLVUVWSROFESDV-INIZCTEOSA-N 0 1 380.460 4.451 20 0 GIADMN Cc1nc2scc(C3CC3)n2c1CN[C@H](c1cccs1)C(C)(C)CO ZINC000459556954 823219793 /nfs/dbraw/zinc/21/97/93/823219793.db2.gz BYFJBBJTOMEJID-QGZVFWFLSA-N 0 1 375.563 4.493 20 0 GIADMN CCOc1cc(CN2CCC3(CCC(O)CC3)CC2)cc(Br)c1O ZINC000459574086 823223409 /nfs/dbraw/zinc/22/34/09/823223409.db2.gz 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823232886 /nfs/dbraw/zinc/23/28/86/823232886.db2.gz KQQDYOQMJYCWQM-UGSOOPFHSA-N 0 1 395.425 4.090 20 0 GIADMN COCC1(C)CN(Cc2cn(Cc3ccccc3)nc2-c2ccc(OC)cc2)C1 ZINC000459618548 823230673 /nfs/dbraw/zinc/23/06/73/823230673.db2.gz CIUQMMLGDNESSC-UHFFFAOYSA-N 0 1 391.515 4.075 20 0 GIADMN CC[C@H](C(=O)Nc1ccccc1NC(=O)NC(C)C)N(C)Cc1ccccc1 ZINC000571772330 823232947 /nfs/dbraw/zinc/23/29/47/823232947.db2.gz MQHHRZLKNJCXFP-HXUWFJFHSA-N 0 1 382.508 4.066 20 0 GIADMN Cc1ccc(SCC(F)(F)F)c(NC(=O)Cc2n[nH]c3c2CCCC3)c1 ZINC000188389455 823231834 /nfs/dbraw/zinc/23/18/34/823231834.db2.gz AIRUVWYSYHEKSU-UHFFFAOYSA-N 0 1 383.439 4.433 20 0 GIADMN CN(C)[C@@H](CNC(=O)N(Cc1ccco1)Cc1ccco1)c1ccc(F)cc1 ZINC000056937793 823233072 /nfs/dbraw/zinc/23/30/72/823233072.db2.gz LPZYPPWQIIOSQK-FQEVSTJZSA-N 0 1 385.439 4.026 20 0 GIADMN Cc1ccc(C2(c3noc(-c4cc(-c5ccco5)n[nH]4)n3)CCOCC2)cc1 ZINC000571808102 823237412 /nfs/dbraw/zinc/23/74/12/823237412.db2.gz WCFILOFOVLZHQT-UHFFFAOYSA-N 0 1 376.416 4.125 20 0 GIADMN C[C@H]1CCCN1C(=O)CCN1CCc2nc(-c3ccccc3Cl)sc2C1 ZINC000571797647 823235643 /nfs/dbraw/zinc/23/56/43/823235643.db2.gz QFCFTNNSFLITLJ-AWEZNQCLSA-N 0 1 389.952 4.223 20 0 GIADMN Cc1oc(-c2ccccc2)c(C(=O)NC2CCN(Cc3ccccn3)CC2)c1C ZINC000188408060 823235835 /nfs/dbraw/zinc/23/58/35/823235835.db2.gz DLFZAPNOGHBQCG-UHFFFAOYSA-N 0 1 389.499 4.353 20 0 GIADMN C[C@H](NC[C@H](O)COc1ccc(Cl)cc1Cl)c1nc2c(s1)CCC2 ZINC000459640730 823236094 /nfs/dbraw/zinc/23/60/94/823236094.db2.gz XQXIVQOSQDEYDW-JQWIXIFHSA-N 0 1 387.332 4.029 20 0 GIADMN CCN(CC)[C@H](C(=O)NCC(C)(C)C[C@@H](C)O)c1cccc(C(F)(F)F)c1 ZINC000121726775 823238112 /nfs/dbraw/zinc/23/81/12/823238112.db2.gz OZSOATDAVPZQDB-PBHICJAKSA-N 0 1 388.474 4.002 20 0 GIADMN CC(C)(C)c1cnc(CCC(=O)N2CCN(Cc3ccccc3)C(C)(C)C2)o1 ZINC000188426083 823239413 /nfs/dbraw/zinc/23/94/13/823239413.db2.gz TVAKNABZGAARPZ-UHFFFAOYSA-N 0 1 383.536 4.028 20 0 GIADMN CC[C@@H]1c2ccsc2CCN1C(=O)CSc1nc(-c2ccc(C)cc2)n[nH]1 ZINC000121745268 823241564 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COc1ccc(C(=O)C2CCN(Cc3ccc(-c4ccccn4)nc3)CC2)cc1 ZINC000571876229 823249009 /nfs/dbraw/zinc/24/90/09/823249009.db2.gz AKMRJLDVUSEYCA-UHFFFAOYSA-N 0 1 387.483 4.247 20 0 GIADMN CN(C)[C@H](CNC(=O)N[C@@H](CC(F)(F)F)c1ccccc1)c1ccsc1 ZINC000057130592 823252865 /nfs/dbraw/zinc/25/28/65/823252865.db2.gz NFWOFHAUMHGZMV-JKSUJKDBSA-N 0 1 385.455 4.344 20 0 GIADMN C[N@@H+]1CCCC[C@@H]1CCC(=O)Nc1c([O-])cc(Br)cc1Cl ZINC000571900817 823251280 /nfs/dbraw/zinc/25/12/80/823251280.db2.gz XBIVEJVGESVKPD-LLVKDONJSA-N 0 1 375.694 4.011 20 0 GIADMN C[N@H+]1CCCC[C@@H]1CCC(=O)Nc1c([O-])cc(Br)cc1Cl ZINC000571900817 823251284 /nfs/dbraw/zinc/25/12/84/823251284.db2.gz XBIVEJVGESVKPD-LLVKDONJSA-N 0 1 375.694 4.011 20 0 GIADMN O=C(NC1CCN(Cc2ccncc2)CC1)c1ccccc1Cc1ccccc1 ZINC000057166560 823257759 /nfs/dbraw/zinc/25/77/59/823257759.db2.gz KDKWRHGSZUEZRE-UHFFFAOYSA-N 0 1 385.511 4.067 20 0 GIADMN COc1cc(-c2noc(CN3C[C@@H](C)CC(C)(C)C3)n2)ccc1OC(F)F ZINC000571920537 823254250 /nfs/dbraw/zinc/25/42/50/823254250.db2.gz XJLJUJBHBLXOJK-LBPRGKRZSA-N 0 1 381.423 4.215 20 0 GIADMN CC(C)NC(=O)Nc1ccccc1NS(=O)(=O)c1cccc2ccccc21 ZINC000176638906 823255011 /nfs/dbraw/zinc/25/50/11/823255011.db2.gz CSVBAHMXMKPFRD-UHFFFAOYSA-N 0 1 383.473 4.171 20 0 GIADMN O=C(Nc1cccc(Oc2cccnn2)c1)c1cn[nH]c1-c1ccc(F)cc1 ZINC000176653090 823257936 /nfs/dbraw/zinc/25/79/36/823257936.db2.gz RHLUDKNKIDRKMG-UHFFFAOYSA-N 0 1 375.363 4.050 20 0 GIADMN CC(C)(C)c1ccc2cc(C(=O)NC3CCN(Cc4ccncc4)CC3)[nH]c2c1 ZINC000057167437 823258036 /nfs/dbraw/zinc/25/80/36/823258036.db2.gz MMIKUGVMEPSQQP-UHFFFAOYSA-N 0 1 390.531 4.255 20 0 GIADMN CCCOc1ccc(CN[C@H]2c3sccc3OC(C)(C)[C@@H]2O)cc1OCC ZINC000459722245 823256480 /nfs/dbraw/zinc/25/64/80/823256480.db2.gz ZMAOBDCGGGUTFO-AZUAARDMSA-N 0 1 391.533 4.298 20 0 GIADMN Cc1ccc(S(=O)(=O)Nc2ccnn2Cc2ccc(Cl)cc2)c(C)c1 ZINC000409593765 823256738 /nfs/dbraw/zinc/25/67/38/823256738.db2.gz JGKRQUMSGCTTGT-UHFFFAOYSA-N 0 1 375.881 4.002 20 0 GIADMN O=c1nc(CN[C@@H](c2ccc(Cl)cc2)C2CC2)[nH]c2sc3c(c21)CCC3 ZINC000057157862 823256939 /nfs/dbraw/zinc/25/69/39/823256939.db2.gz VRKRGEZMZFLKAH-GOSISDBHSA-N 0 1 385.920 4.368 20 0 GIADMN CCc1nc(NC(=O)NC[C@H](c2nc[nH]n2)c2ccccc2)sc1C(C)(C)C ZINC000459727372 823257142 /nfs/dbraw/zinc/25/71/42/823257142.db2.gz MWPAGECYSXWXRD-AWEZNQCLSA-N 0 1 398.536 4.075 20 0 GIADMN CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)CCc1nc2cccc(C)c2[nH]1 ZINC000176656793 823258919 /nfs/dbraw/zinc/25/89/19/823258919.db2.gz NHFZUSRKPMSGPE-QKKBWIMNSA-N 0 1 385.895 4.350 20 0 GIADMN CC[C@@H]1CCc2nc(NC(=O)c3ccc4c(c3)[nH]c(=S)[nH]c4=O)sc2C1 ZINC000057179347 823259889 /nfs/dbraw/zinc/25/98/89/823259889.db2.gz ZIGPLLCAQUNJKV-SECBINFHSA-N 0 1 386.502 4.222 20 0 GIADMN Cc1[nH]ncc1CCCNC(=O)N(Cc1ccccc1C(F)(F)F)C1CC1 ZINC000121836727 823260266 /nfs/dbraw/zinc/26/02/66/823260266.db2.gz MMOXCFBXIRLBJK-UHFFFAOYSA-N 0 1 380.414 4.044 20 0 GIADMN C[C@H](Cc1cccc(F)c1)N(C)CC(=O)N[C@@H](c1nccs1)c1ccccc1 ZINC000459757669 823261299 /nfs/dbraw/zinc/26/12/99/823261299.db2.gz HOTIGSLLNNAOLA-IIBYNOLFSA-N 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ASJODVQKMPRXDJ-HNNXBMFYSA-N 0 1 399.512 4.111 20 0 GIADMN C[C@@H](Cc1ccc(Cl)cc1)N(C)CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000121008317 823101933 /nfs/dbraw/zinc/10/19/33/823101933.db2.gz HCLFSMNDMOZBIA-ZFWWWQNUSA-N 0 1 376.850 4.004 20 0 GIADMN C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)CSc3n[n-]c(=S)s3)cc2)C1 ZINC000176041041 823104130 /nfs/dbraw/zinc/10/41/30/823104130.db2.gz XGQHSWKKIQOOPI-GFCCVEGCSA-N 0 1 394.591 4.163 20 0 GIADMN O=C(NCCCc1nc2ccccc2[nH]1)c1cn[nH]c1-c1ccc(Cl)s1 ZINC000187646446 823104593 /nfs/dbraw/zinc/10/45/93/823104593.db2.gz GPDPIZCSEDUXFM-UHFFFAOYSA-N 0 1 385.880 4.031 20 0 GIADMN CC(C)[C@@H](C(=O)NC1CCN(Cc2ccncc2)CC1)c1cccc(Cl)c1 ZINC000176049150 823106514 /nfs/dbraw/zinc/10/65/14/823106514.db2.gz GKSPIAMNHDSTHM-OAQYLSRUSA-N 0 1 385.939 4.255 20 0 GIADMN COc1ccc2c(c1)[C@H](NCC(=O)Nc1ccc(F)c(F)c1F)CCCS2 ZINC000187692312 823114154 /nfs/dbraw/zinc/11/41/54/823114154.db2.gz VTTKVLMPKWIZFX-CQSZACIVSA-N 0 1 396.434 4.268 20 0 GIADMN COc1ccc2c(c1)CCC[C@H]2N(C)CCCS(=O)(=O)c1ccc(F)cc1 ZINC000570980927 823115393 /nfs/dbraw/zinc/11/53/93/823115393.db2.gz UBZAXVXBZBJZKU-OAQYLSRUSA-N 0 1 391.508 4.008 20 0 GIADMN CC(C)[C@@H](CO)N(Cc1nnc(-c2cccc(Cl)c2)o1)Cc1ccccc1 ZINC000121096729 823117923 /nfs/dbraw/zinc/11/79/23/823117923.db2.gz GQZBWNXEPSTVAP-LJQANCHMSA-N 0 1 385.895 4.409 20 0 GIADMN COCCOCc1ccc(CNCc2cccc(C)c2Br)cc1 ZINC000571001006 823118237 /nfs/dbraw/zinc/11/82/37/823118237.db2.gz KQCDBIKWKAGNOW-UHFFFAOYSA-N 0 1 378.310 4.210 20 0 GIADMN CN(CCO)Cc1cc(NCc2cccc(-c3cccnc3)c2)ccc1Cl ZINC000571001226 823118257 /nfs/dbraw/zinc/11/82/57/823118257.db2.gz MXRUTJXTOIGPFG-UHFFFAOYSA-N 0 1 381.907 4.438 20 0 GIADMN CC(C)(O)C(C)(C)CNC(=O)N1CCCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000459085254 823125959 /nfs/dbraw/zinc/12/59/59/823125959.db2.gz IBVXSSTXNSGIJM-MRXNPFEDSA-N 0 1 392.931 4.250 20 0 GIADMN C[C@H](Cn1cc(Br)cn1)NCc1nc(-c2ccccc2F)cs1 ZINC000571096996 823131863 /nfs/dbraw/zinc/13/18/63/823131863.db2.gz FMRABLQRQQASRP-LLVKDONJSA-N 0 1 395.301 4.087 20 0 GIADMN Fc1ccc([C@@H](NCCc2ccc(OC(F)(F)F)cc2)c2ncc[nH]2)cc1 ZINC000187786105 823132959 /nfs/dbraw/zinc/13/29/59/823132959.db2.gz FLUNNPMMRDFOBR-QGZVFWFLSA-N 0 1 379.357 4.369 20 0 GIADMN Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000176137711 823133280 /nfs/dbraw/zinc/13/32/80/823133280.db2.gz KGEFHRJDUGXGRG-UHFFFAOYSA-N 0 1 396.535 4.004 20 0 GIADMN CCN(CC(=O)Nc1cc(Cl)c(OC)cc1OC)[C@H](C)Cc1ccsc1 ZINC000187789718 823133555 /nfs/dbraw/zinc/13/35/55/823133555.db2.gz KDEHTFZKOCITMY-CYBMUJFWSA-N 0 1 396.940 4.310 20 0 GIADMN CCc1ccc(C[N@H+]2CCC[C@H](c3nnc4ccc(C(F)(F)F)cn43)C2)cn1 ZINC000571124061 823136155 /nfs/dbraw/zinc/13/61/55/823136155.db2.gz MLRDHVWEUBAUSP-HNNXBMFYSA-N 0 1 389.425 4.085 20 0 GIADMN CCOC(=O)COCCN[C@H](C)c1nc(-c2ccc(Cl)cc2)c(C)s1 ZINC000571128465 823137004 /nfs/dbraw/zinc/13/70/04/823137004.db2.gz DJNFGYACKCVMJT-GFCCVEGCSA-N 0 1 382.913 4.002 20 0 GIADMN O=C(NCCc1nc2ccc(F)cc2[nH]1)c1ccccc1COc1ccccc1 ZINC000176154075 823137807 /nfs/dbraw/zinc/13/78/07/823137807.db2.gz PLVQMZHLICITPX-UHFFFAOYSA-N 0 1 389.430 4.254 20 0 GIADMN CN(C)[C@@H](CNC(=O)Nc1ccc([C@H]2CCOC2)cc1)c1ccc(Cl)cc1 ZINC000571139801 823140063 /nfs/dbraw/zinc/14/00/63/823140063.db2.gz FEMGCGDGWQRISB-PXNSSMCTSA-N 0 1 387.911 4.268 20 0 GIADMN CN(C)[C@H](CNC(=O)Nc1ccc([C@H]2CCOC2)cc1)c1ccc(Cl)cc1 ZINC000571139800 823140118 /nfs/dbraw/zinc/14/01/18/823140118.db2.gz FEMGCGDGWQRISB-FXAWDEMLSA-N 0 1 387.911 4.268 20 0 GIADMN O=C(NCc1ccc2cncn2c1)N(CCc1ccccc1F)C1CCCC1 ZINC000459216743 823146057 /nfs/dbraw/zinc/14/60/57/823146057.db2.gz WEDAMOFPGBJGMG-UHFFFAOYSA-N 0 1 380.467 4.170 20 0 GIADMN CN(C)[C@H](CNC(=O)N1CCc2c3ccccc3[nH]c2C1)c1ccc(Cl)cc1 ZINC000571184597 823145380 /nfs/dbraw/zinc/14/53/80/823145380.db2.gz AXOYNURLRAJBBV-OAQYLSRUSA-N 0 1 396.922 4.192 20 0 GIADMN C[C@H]1CN(C(=O)NCc2nc3cccc(Br)c3[nH]2)[C@@H]1c1ccccc1 ZINC000459219788 823146568 /nfs/dbraw/zinc/14/65/68/823146568.db2.gz RWRZGVDPNJBVBP-SGTLLEGYSA-N 0 1 399.292 4.228 20 0 GIADMN CN(Cc1cccc2ccccc21)C(=O)NC1CCN(Cc2ccncc2)CC1 ZINC000056421715 823147238 /nfs/dbraw/zinc/14/72/38/823147238.db2.gz DCILMUUOVCDNHH-UHFFFAOYSA-N 0 1 388.515 4.041 20 0 GIADMN Cc1nn(-c2ccccc2)cc1CCCN[C@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000187863717 823148924 /nfs/dbraw/zinc/14/89/24/823148924.db2.gz TVFOJCXPZMPURT-QFIPXVFZSA-N 0 1 389.478 4.355 20 0 GIADMN CN(CCCc1ccccc1)C(=O)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000056441202 823149501 /nfs/dbraw/zinc/14/95/01/823149501.db2.gz NXBHJUHWVRPAHF-UHFFFAOYSA-N 0 1 383.511 4.064 20 0 GIADMN Cc1ccc(CNC(=O)N2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)nc1C ZINC000459242989 823150453 /nfs/dbraw/zinc/15/04/53/823150453.db2.gz SBDKRMPMYUVGIL-GOSISDBHSA-N 0 1 383.883 4.275 20 0 GIADMN C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)NCc1n[nH]c(C(C)(C)C)n1 ZINC000459250445 823151611 /nfs/dbraw/zinc/15/16/11/823151611.db2.gz CPTRBYBEHNGPHF-QWHCGFSZSA-N 0 1 377.920 4.089 20 0 GIADMN COc1ccc(CN(Cc2cnn(C)c2C(F)(F)F)[C@H](C)C2CC2)c(OC)c1 ZINC000571228258 823151842 /nfs/dbraw/zinc/15/18/42/823151842.db2.gz ZLGGTBSXKZTASB-CYBMUJFWSA-N 0 1 397.441 4.257 20 0 GIADMN COc1ccc(CN(Cc2cnn(C)c2C(F)(F)F)[C@@H](C)C2CC2)c(OC)c1 ZINC000571228259 823151928 /nfs/dbraw/zinc/15/19/28/823151928.db2.gz ZLGGTBSXKZTASB-ZDUSSCGKSA-N 0 1 397.441 4.257 20 0 GIADMN CCCOc1ccc(NC(=O)NCc2n[nH]c(C(C)(C)C)n2)cc1OCCC ZINC000459255188 823152277 /nfs/dbraw/zinc/15/22/77/823152277.db2.gz HKEGZJPHHBHSJY-UHFFFAOYSA-N 0 1 389.500 4.002 20 0 GIADMN CC(=O)Nc1cccc([C@@H](C)NC(=O)c2cn[nH]c2-c2ccc(Cl)s2)c1 ZINC000187885702 823152620 /nfs/dbraw/zinc/15/26/20/823152620.db2.gz AARMEAXEOCOHNL-SNVBAGLBSA-N 0 1 388.880 4.241 20 0 GIADMN CC(C)(C)c1nc(CNC(=O)N(Cc2ccccc2)Cc2ccc(F)cc2)n[nH]1 ZINC000459259875 823153183 /nfs/dbraw/zinc/15/31/83/823153183.db2.gz KVUPDSXJVCLJEV-UHFFFAOYSA-N 0 1 395.482 4.153 20 0 GIADMN COc1ccc(F)cc1CNC(=O)N1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1 ZINC000187905064 823156155 /nfs/dbraw/zinc/15/61/55/823156155.db2.gz WPLKBNXGVZGOPY-GOSISDBHSA-N 0 1 382.439 4.066 20 0 GIADMN CSc1ccccc1NC(=O)CN(C)CCCC(=O)Nc1c(C)cccc1C ZINC000176243921 823161616 /nfs/dbraw/zinc/16/16/16/823161616.db2.gz IWBQEOSNYOYVKL-UHFFFAOYSA-N 0 1 399.560 4.315 20 0 GIADMN COc1ccccc1[C@@H](CNC(=O)N([C@@H](C)c1ccco1)C1CC1)N1CCCC1 ZINC000121300758 823158644 /nfs/dbraw/zinc/15/86/44/823158644.db2.gz AOCBPKCJORDGPR-FXAWDEMLSA-N 0 1 397.519 4.360 20 0 GIADMN CCc1cccc(C)c1NC(=O)CN(CC(C)C)C[C@H](O)c1ccc(F)cc1 ZINC000121306379 823159804 /nfs/dbraw/zinc/15/98/04/823159804.db2.gz UWHQMNQMCJIINC-NRFANRHFSA-N 0 1 386.511 4.327 20 0 GIADMN CC(=O)Nc1cccc2c1CCN(Cc1ccc(OCC(F)(F)F)cc1)C2 ZINC000056508009 823159830 /nfs/dbraw/zinc/15/98/30/823159830.db2.gz YPQJWTCRZXXNGY-UHFFFAOYSA-N 0 1 378.394 4.144 20 0 GIADMN Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C[N@H+]1CC[C@](C)(C(=O)[O-])C1 ZINC000571291922 823160959 /nfs/dbraw/zinc/16/09/59/823160959.db2.gz XBOGJZWFEWMOJN-KRWDZBQOSA-N 0 1 384.423 4.434 20 0 GIADMN CCO[C@@H]1C[C@@](N)(C(=O)Nc2cccc(COc3ccccc3)c2C)C1(C)C ZINC000187946367 823162236 /nfs/dbraw/zinc/16/22/36/823162236.db2.gz QHJSHFGEZYQONR-NFBKMPQASA-N 0 1 382.504 4.045 20 0 GIADMN CCN1CCN(c2ccccc2NC(=O)N(C)[C@@H](C)Cc2cccc(F)c2)CC1 ZINC000459330300 823162285 /nfs/dbraw/zinc/16/22/85/823162285.db2.gz RHLCBXMUSFISDQ-SFHVURJKSA-N 0 1 398.526 4.063 20 0 GIADMN C[C@H]1CC[C@](CO)(N(C)CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)C1 ZINC000187954820 823163288 /nfs/dbraw/zinc/16/32/88/823163288.db2.gz UPKKRJAIGHGQFT-QFYYESIMSA-N 0 1 379.715 4.068 20 0 GIADMN O=c1cc(CN2CCC(c3nc4cc(Cl)ccc4o3)CC2)nc(C2CC2)[nH]1 ZINC000459354702 823169448 /nfs/dbraw/zinc/16/94/48/823169448.db2.gz ONVZSRIQNXTDHK-UHFFFAOYSA-N 0 1 384.867 4.234 20 0 GIADMN Cc1cc(C)n(-c2cccc(NC(=O)N(C)CCCN(C)Cc3ccco3)c2)n1 ZINC000571353537 823169811 /nfs/dbraw/zinc/16/98/11/823169811.db2.gz IBLSHRKUAQTSON-UHFFFAOYSA-N 0 1 395.507 4.068 20 0 GIADMN CCCO[C@H]1CCCN(Cc2cc(Br)c(O)c(OCC)c2)CC1 ZINC000459354784 823169904 /nfs/dbraw/zinc/16/99/04/823169904.db2.gz SRSZOAUAZPAGPH-HNNXBMFYSA-N 0 1 386.330 4.335 20 0 GIADMN Clc1cnn(CCN2CCC[C@H](c3nc(-c4ccc(Cl)cc4)no3)C2)c1 ZINC000459361149 823171954 /nfs/dbraw/zinc/17/19/54/823171954.db2.gz FUXUCYJCDUVCTF-AWEZNQCLSA-N 0 1 392.290 4.120 20 0 GIADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N(CC1CCCCC1)C1CC1 ZINC000056561995 823170285 /nfs/dbraw/zinc/17/02/85/823170285.db2.gz AMPXFIMGZPZCHP-UHFFFAOYSA-N 0 1 384.568 4.323 20 0 GIADMN C[C@H](c1cc2ccccc2o1)N(C)C(=O)CN[C@@H](c1ccccc1)C(C)(C)CO ZINC000571366739 823172322 /nfs/dbraw/zinc/17/23/22/823172322.db2.gz LRAQWRXQSZOXLR-HXOBKFHXSA-N 0 1 394.515 4.302 20 0 GIADMN C[C@@H]1CN(c2ccccc2CNCc2ccccc2OCC(F)(F)F)CCO1 ZINC000459378226 823177163 /nfs/dbraw/zinc/17/71/63/823177163.db2.gz VQZPUSAYIFSQNI-MRXNPFEDSA-N 0 1 394.437 4.143 20 0 GIADMN O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)N1CCC[C@H]1c1ccccn1 ZINC000056577949 823173926 /nfs/dbraw/zinc/17/39/26/823173926.db2.gz XYGTUUDQHCCRNX-NRFANRHFSA-N 0 1 398.938 4.246 20 0 GIADMN Cc1cccc2nc(CCC(=O)Nc3nnc(Cc4cccc(F)c4)s3)[nH]c21 ZINC000176305172 823177329 /nfs/dbraw/zinc/17/73/29/823177329.db2.gz GCNJJSCGNGOOBN-UHFFFAOYSA-N 0 1 395.463 4.024 20 0 GIADMN CC(C)(CNC(=O)CSc1n[nH]c(=S)s1)c1ccc(F)cc1Cl ZINC000176301159 823176291 /nfs/dbraw/zinc/17/62/91/823176291.db2.gz CQHBTUVDQBUGRS-UHFFFAOYSA-N 0 1 391.946 4.179 20 0 GIADMN Cc1cc(CC(=O)Nc2nc(-c3ccc(Br)cc3)c(C)s2)n[nH]1 ZINC000121413161 823180239 /nfs/dbraw/zinc/18/02/39/823180239.db2.gz TUXJFOMBENEFSB-UHFFFAOYSA-N 0 1 391.294 4.094 20 0 GIADMN CCOC[C@@H]1CCN([C@@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1 ZINC000176317136 823180465 /nfs/dbraw/zinc/18/04/65/823180465.db2.gz CHLUOPJSDUSLSK-NWDGAFQWSA-N 0 1 378.822 4.044 20 0 GIADMN c1csc([C@H](NCc2cccc(COCc3ccccc3)c2)c2nnc[nH]2)c1 ZINC000571424187 823180761 /nfs/dbraw/zinc/18/07/61/823180761.db2.gz IIWZMTRGPFYBEO-NRFANRHFSA-N 0 1 390.512 4.462 20 0 GIADMN COc1ncccc1CCN[C@H](c1ccco1)c1ccc(Br)cc1 ZINC000571454145 823185279 /nfs/dbraw/zinc/18/52/79/823185279.db2.gz VSAFBTBNRWVWDA-SFHVURJKSA-N 0 1 387.277 4.367 20 0 GIADMN Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NCc1cc(=O)[nH]c(C2CC2)n1 ZINC000459411727 823187093 /nfs/dbraw/zinc/18/70/93/823187093.db2.gz UOSHBGDNLZMDRL-LLVKDONJSA-N 0 1 384.480 4.481 20 0 GIADMN CCC[C@H](C(=O)N(C)C1CCN(Cc2ncc(C)c(OC)c2C)CC1)C(C)C ZINC000121454634 823187629 /nfs/dbraw/zinc/18/76/29/823187629.db2.gz MXLBGJLJWCPEBA-FQEVSTJZSA-N 0 1 389.584 4.202 20 0 GIADMN Oc1cccc(CN[C@H](C[C@@H]2CCOC2)c2ccccc2)c1Br ZINC000459442463 823192535 /nfs/dbraw/zinc/19/25/35/823192535.db2.gz OWSOEMIAKJZZCD-WMLDXEAASA-N 0 1 376.294 4.412 20 0 GIADMN Cc1ccc(NC(=O)C2(CN[C@@H](C)c3cc4n(n3)CCC4)CCCC2)cc1C ZINC000571502668 823193247 /nfs/dbraw/zinc/19/32/47/823193247.db2.gz GVPCRHCFRPAANM-SFHVURJKSA-N 0 1 380.536 4.296 20 0 GIADMN Oc1cccc(CN[C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)c1Br ZINC000459453155 823195210 /nfs/dbraw/zinc/19/52/10/823195210.db2.gz ACRWVJISBGXVMV-PBHICJAKSA-N 0 1 384.220 4.053 20 0 GIADMN CC[C@H](C)Oc1cc(CN2CCC(CC(=O)N3CCCC3)CC2)ccc1OC ZINC000121518771 823198848 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GIADMN Fc1cccc(F)c1-n1ccc(CN2CCC3(CC2)OCCc2ccccc23)n1 ZINC000459509160 823207352 /nfs/dbraw/zinc/20/73/52/823207352.db2.gz BREHXDHWBWCDPO-UHFFFAOYSA-N 0 1 395.453 4.215 20 0 GIADMN Cc1nc2scc(C3CC3)n2c1CN1CC[C@](CO)(Cc2ccc(F)cc2)C1 ZINC000459563305 823220815 /nfs/dbraw/zinc/22/08/15/823220815.db2.gz CTKMLRKQZOTZMB-QFIPXVFZSA-N 0 1 399.535 4.148 20 0 GIADMN O=C(Nc1cc(Cl)ccc1OC[C@@H]1CCOC1)c1cc(-c2ccccc2)n[nH]1 ZINC000188344107 823222892 /nfs/dbraw/zinc/22/28/92/823222892.db2.gz PPNRWRVTJUQARF-CQSZACIVSA-N 0 1 397.862 4.398 20 0 GIADMN O=C(Nc1cccc(-c2noc(C3CC3)n2)c1)c1c[nH]nc1-c1ccsc1 ZINC000188350444 823224112 /nfs/dbraw/zinc/22/41/12/823224112.db2.gz DJTKDYWSANTSFB-UHFFFAOYSA-N 0 1 377.429 4.318 20 0 GIADMN C[C@H](C(=O)N1CCc2ccccc21)N1CCC(c2noc3cc(F)ccc32)CC1 ZINC000571724991 823225488 /nfs/dbraw/zinc/22/54/88/823225488.db2.gz KJFNDXGTJREIFV-OAHLLOKOSA-N 0 1 393.462 4.124 20 0 GIADMN COc1cc(CN2CC(CCO)C2)ccc1OCc1cccc(C(F)(F)F)c1 ZINC000459592195 823226208 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CC[C@@](C)(NC[C@@H](O)COc1ccccc1C(F)(F)F)c1nc(C)cs1 ZINC000182193641 822141079 /nfs/dbraw/zinc/14/10/79/822141079.db2.gz KWMSJLKOTLVNSX-CXAGYDPISA-N 0 1 388.455 4.125 20 0 GIADMN CCc1nc(NC(=O)c2cccnc2Oc2ccc(Cl)cc2Cl)n[nH]1 ZINC000182271700 822181293 /nfs/dbraw/zinc/18/12/93/822181293.db2.gz RUSNQQGNZUQFRG-UHFFFAOYSA-N 0 1 378.219 4.114 20 0 GIADMN CCc1n[nH]c(NC(=O)c2cccnc2Oc2ccc(Cl)cc2Cl)n1 ZINC000182271700 822181297 /nfs/dbraw/zinc/18/12/97/822181297.db2.gz RUSNQQGNZUQFRG-UHFFFAOYSA-N 0 1 378.219 4.114 20 0 GIADMN Cc1cc2ncc([C@@H](C)NC3(c4cccc(Br)c4)CC3)c(C)n2n1 ZINC000182272265 822181321 /nfs/dbraw/zinc/18/13/21/822181321.db2.gz GNKXBLIYDUEVOM-CYBMUJFWSA-N 0 1 385.309 4.449 20 0 GIADMN C[C@H](NCCCCC(=O)OCc1ccccc1)c1ncc(Br)s1 ZINC000182277879 822183667 /nfs/dbraw/zinc/18/36/67/822183667.db2.gz MCPPVFVHCBQBQJ-ZDUSSCGKSA-N 0 1 397.338 4.470 20 0 GIADMN CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)N[C@H](C)c1ccc2c(c1)OCO2 ZINC000182301463 822193138 /nfs/dbraw/zinc/19/31/38/822193138.db2.gz 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Cc1ccc(-c2cc(CN[C@H](C)c3ccc(N4CCOC4=O)cc3)on2)cc1 ZINC000178026159 822288198 /nfs/dbraw/zinc/28/81/98/822288198.db2.gz QYCGCGDKGQZTGC-MRXNPFEDSA-N 0 1 377.444 4.457 20 0 GIADMN C[C@H](N[C@@H](C)c1ccccc1Br)c1ccc(NS(C)(=O)=O)cc1 ZINC000178026991 822288933 /nfs/dbraw/zinc/28/89/33/822288933.db2.gz FESMAFCPMQOMTQ-STQMWFEESA-N 0 1 397.338 4.232 20 0 GIADMN CC(=O)Nc1cccc([C@H](C)NCC(=O)N[C@@H](c2ccccc2)C2CCCC2)c1 ZINC000182550999 822297502 /nfs/dbraw/zinc/29/75/02/822297502.db2.gz QVXASCQVBJFLIM-XDHUDOTRSA-N 0 1 393.531 4.343 20 0 GIADMN CCN(CC)C(=O)CCC1CCN([C@H](C)c2nnc(-c3ccc(C)cc3)o2)CC1 ZINC000182574507 822308443 /nfs/dbraw/zinc/30/84/43/822308443.db2.gz VWJXMQZNNKRRTE-GOSISDBHSA-N 0 1 398.551 4.467 20 0 GIADMN COc1cc([C@H](C)N[C@@H]2CCc3cc(Cl)ccc32)ccc1S(C)(=O)=O ZINC000178085780 822313592 /nfs/dbraw/zinc/31/35/92/822313592.db2.gz DWNTVERDFVUHEH-YVEFUNNKSA-N 0 1 379.909 4.090 20 0 GIADMN CCOc1cc(Cl)ccc1C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000182623197 822326757 /nfs/dbraw/zinc/32/67/57/822326757.db2.gz IZZADRJBJSWZDR-HNNXBMFYSA-N 0 1 387.911 4.089 20 0 GIADMN C[C@@H](NC(=O)[C@H](C)N[C@@H](C)c1cc2ccccc2o1)c1ccc2c(c1)OCCO2 ZINC000182629139 822330243 /nfs/dbraw/zinc/33/02/43/822330243.db2.gz VONZYKALJOZLRR-PMPSAXMXSA-N 0 1 394.471 4.121 20 0 GIADMN CC(C)Oc1ccc([C@H](C)N[C@@H](C)c2ccc(S(C)(=O)=O)c(F)c2)cc1 ZINC000178142862 822331309 /nfs/dbraw/zinc/33/13/09/822331309.db2.gz HKGIFJALBXRNEO-GJZGRUSLSA-N 0 1 379.497 4.428 20 0 GIADMN COc1cc(C)c([C@H](C)NC(=O)CN[C@H](C)c2cc3ccccc3o2)cc1OC ZINC000182639468 822334373 /nfs/dbraw/zinc/33/43/73/822334373.db2.gz BIFZPDMAEAMLLO-JKSUJKDBSA-N 0 1 396.487 4.286 20 0 GIADMN C[C@@H](N[C@@H](C)c1cc(Br)ccc1F)c1ccc(NC(N)=O)cc1 ZINC000178166860 822338796 /nfs/dbraw/zinc/33/87/96/822338796.db2.gz CXHLFSAQSAQOIQ-MNOVXSKESA-N 0 1 380.261 4.491 20 0 GIADMN C[C@@H](NCCSc1ccnc2cc(Cl)ccc21)c1nnc2ccccn21 ZINC000182673089 822346667 /nfs/dbraw/zinc/34/66/67/822346667.db2.gz KYMNCRKXMYZHHE-CYBMUJFWSA-N 0 1 383.908 4.374 20 0 GIADMN Cc1cc(C)c2c(c1)[C@@H](NCC(=O)Nc1ccc(F)c(F)c1F)CCCO2 ZINC000178203134 822351573 /nfs/dbraw/zinc/35/15/73/822351573.db2.gz WHJIYFWPPREWSZ-HNNXBMFYSA-N 0 1 378.394 4.163 20 0 GIADMN C[C@H](NC(=O)NC[C@H](c1cccs1)N(C)C)c1ccc(OC(F)F)cc1 ZINC000045039658 822359183 /nfs/dbraw/zinc/35/91/83/822359183.db2.gz VGHQLHCFAVJAPM-SWLSCSKDSA-N 0 1 383.464 4.013 20 0 GIADMN COC[C@H](NCCC(=O)Nc1cccc(Cl)c1C)c1ccc(F)c(F)c1 ZINC000182733076 822359226 /nfs/dbraw/zinc/35/92/26/822359226.db2.gz SEKIYHUDNAKYJV-SFHVURJKSA-N 0 1 382.838 4.233 20 0 GIADMN C[C@H](CS(C)(=O)=O)NCc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1 ZINC000182745678 822361387 /nfs/dbraw/zinc/36/13/87/822361387.db2.gz OILSAWCCNFZROA-CYBMUJFWSA-N 0 1 387.423 4.020 20 0 GIADMN Cc1cc([C@@H](C)N[C@@H](C)C(=O)Nc2cccnc2C)sc1Br ZINC000453430231 822362086 /nfs/dbraw/zinc/36/20/86/822362086.db2.gz IRDNYOQVSFQPDR-NEPJUHHUSA-N 0 1 382.327 4.200 20 0 GIADMN Cc1cc(S(=O)(=O)Nc2ccc(C(=O)NC3CCCCC3)cc2C)c(C)o1 ZINC000182782735 822366849 /nfs/dbraw/zinc/36/68/49/822366849.db2.gz IWRZMCBYCHKNHN-UHFFFAOYSA-N 0 1 390.505 4.068 20 0 GIADMN Cc1ccc([C@@H](NC(=O)N[C@@H](C)c2nnc[nH]2)c2ccc(F)cc2Cl)cc1 ZINC000182784907 822367342 /nfs/dbraw/zinc/36/73/42/822367342.db2.gz SDXQWKMPABZLNB-YVEFUNNKSA-N 0 1 387.846 4.055 20 0 GIADMN O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)N1CCC[C@H]1c1ccncc1 ZINC000045182168 822368328 /nfs/dbraw/zinc/36/83/28/822368328.db2.gz ANGBXDTUHQOMMZ-NRFANRHFSA-N 0 1 398.938 4.246 20 0 GIADMN CCN(Cc1cccc(C(=O)NCc2ccco2)c1)[C@@H](C)c1cccc(O)c1 ZINC000178380066 822373187 /nfs/dbraw/zinc/37/31/87/822373187.db2.gz FEAPFZOKYBJNBL-KRWDZBQOSA-N 0 1 378.472 4.498 20 0 GIADMN Cc1ccc(-c2n[nH]c(SCC(=O)N(C)[C@H]3CCc4ccccc43)n2)cc1 ZINC000178437754 822379112 /nfs/dbraw/zinc/37/91/12/822379112.db2.gz KAMHHWKGMQRXSY-SFHVURJKSA-N 0 1 378.501 4.018 20 0 GIADMN CC[C@H](N[C@@H](C)c1cc(OC)c(OC)cc1F)c1ccc2c(c1)OCCO2 ZINC000178480885 822383605 /nfs/dbraw/zinc/38/36/05/822383605.db2.gz UORQAXAJIMXMJX-GUYCJALGSA-N 0 1 375.440 4.416 20 0 GIADMN CC[C@@H](N[C@H](C)c1cc(OC)c(OC)cc1F)c1ccc2c(c1)OCCO2 ZINC000178480914 822383803 /nfs/dbraw/zinc/38/38/03/822383803.db2.gz UORQAXAJIMXMJX-CXAGYDPISA-N 0 1 375.440 4.416 20 0 GIADMN Cc1cc(Br)c(CN2CCC(OC[C@@H]3CCCCO3)CC2)s1 ZINC000453573951 822386391 /nfs/dbraw/zinc/38/63/91/822386391.db2.gz JFFGZBZOTXNCBF-HNNXBMFYSA-N 0 1 388.371 4.369 20 0 GIADMN C[C@H](c1ccc(-n2cncn2)cc1)N(C)Cc1ccc(Br)cc1F ZINC000045416067 822386300 /nfs/dbraw/zinc/38/63/00/822386300.db2.gz FEKVQLACKZEBBD-CYBMUJFWSA-N 0 1 389.272 4.362 20 0 GIADMN C[C@@H](NCC(=O)Nc1cccc(CSc2ccccn2)c1)c1cccnc1 ZINC000182891976 822387253 /nfs/dbraw/zinc/38/72/53/822387253.db2.gz QINWSYDWEDVCDY-MRXNPFEDSA-N 0 1 378.501 4.058 20 0 GIADMN CC(C)(CO)[C@H](NCc1cnn(-c2ccc(Cl)cc2)c1)c1cccs1 ZINC000453581887 822387995 /nfs/dbraw/zinc/38/79/95/822387995.db2.gz VKPWNSRRPCBLER-GOSISDBHSA-N 0 1 375.925 4.437 20 0 GIADMN CC(=O)N(c1nc(CNC[C@@H]2CCOC(C)(C)C2)cs1)c1ccc(F)cc1 ZINC000453585790 822388742 /nfs/dbraw/zinc/38/87/42/822388742.db2.gz UDFKQUARJHNFFX-OAHLLOKOSA-N 0 1 391.512 4.262 20 0 GIADMN CCOc1cc(CNc2ccc3cnccc3c2)ccc1O[C@H](C)C(=O)N(C)C ZINC000453601180 822391236 /nfs/dbraw/zinc/39/12/36/822391236.db2.gz SXNGTVHUMMVMFG-MRXNPFEDSA-N 0 1 393.487 4.101 20 0 GIADMN Cc1nn(-c2ccncc2)cc1CN1CCC[C@H]1c1ccc(Br)cn1 ZINC000453608368 822392331 /nfs/dbraw/zinc/39/23/31/822392331.db2.gz GVWIFPQZRTXTSJ-IBGZPJMESA-N 0 1 398.308 4.070 20 0 GIADMN OCC1([C@@H](NCc2cncc(Br)c2)c2ccccc2)CCCC1 ZINC000453610468 822392600 /nfs/dbraw/zinc/39/26/00/822392600.db2.gz HOTQEBIXSVNLST-SFHVURJKSA-N 0 1 375.310 4.228 20 0 GIADMN Cc1[nH]ncc1CCCNC(=O)N[C@H](c1ccccc1)c1cccc(Cl)c1 ZINC000045538930 822394471 /nfs/dbraw/zinc/39/44/71/822394471.db2.gz XMPBRUPWXQVMCK-HXUWFJFHSA-N 0 1 382.895 4.393 20 0 GIADMN C[C@@H](c1ncc(-c2ccc(Cl)cc2)o1)N1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000178594876 822394823 /nfs/dbraw/zinc/39/48/23/822394823.db2.gz YSSCHPULVBRWHL-YOEHRIQHSA-N 0 1 387.911 4.294 20 0 GIADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)[C@H](C)Oc1cccc(C(C)C)c1 ZINC000045614729 822400380 /nfs/dbraw/zinc/40/03/80/822400380.db2.gz QIKTZUXETTVEHD-IBGZPJMESA-N 0 1 395.547 4.276 20 0 GIADMN CCOc1cc(CN[C@H](C)c2cc(C)sc2C)nc2nc(C(F)(F)F)nn21 ZINC000182981097 822404144 /nfs/dbraw/zinc/40/41/44/822404144.db2.gz GSOIBQPSFQCTSY-SNVBAGLBSA-N 0 1 399.442 4.071 20 0 GIADMN C[C@H](NCc1ccc(-n2cncn2)cc1)c1cc(Cl)ccc1OC(F)F ZINC000178743299 822406735 /nfs/dbraw/zinc/40/67/35/822406735.db2.gz FKMTWXKHOCRERJ-LBPRGKRZSA-N 0 1 378.810 4.373 20 0 GIADMN CCCOc1ccc([C@H](C)Nc2cccc(CN3CCC[C@@H]3C(N)=O)c2)cc1 ZINC000183007658 822410440 /nfs/dbraw/zinc/41/04/40/822410440.db2.gz KSFAGKWQOUIKRD-HTAPYJJXSA-N 0 1 381.520 4.098 20 0 GIADMN Cc1c([C@H](C)N[C@@H](C)c2ccc(OC[C@@H]3CCCCO3)c(F)c2)cnn1C ZINC000178800332 822411297 /nfs/dbraw/zinc/41/12/97/822411297.db2.gz LLMQMDCDSROCDQ-MPGHIAIKSA-N 0 1 375.488 4.227 20 0 GIADMN Cc1ccc(C(=O)CCC(=O)NC[C@@H](c2ccccc2)N2CCCC2)cc1C ZINC000045776182 822412455 /nfs/dbraw/zinc/41/24/55/822412455.db2.gz DZEQYFPDSCGAGC-QFIPXVFZSA-N 0 1 378.516 4.220 20 0 GIADMN CCOc1ccccc1NC(=O)[C@@H](C)N[C@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000045812743 822415626 /nfs/dbraw/zinc/41/56/26/822415626.db2.gz KODGOJMMWYLUQX-HZPDHXFCSA-N 0 1 395.503 4.112 20 0 GIADMN CCCOc1c(Cl)cc(CNCc2cccc(C(=O)NC)c2)cc1OCC ZINC000045822432 822416900 /nfs/dbraw/zinc/41/69/00/822416900.db2.gz KBFONCGJTJQMKX-UHFFFAOYSA-N 0 1 390.911 4.177 20 0 GIADMN C[C@H](c1ccncc1)N1CCC(NC(=O)N2CCC[C@H]2c2cccc(F)c2)CC1 ZINC000178887259 822419151 /nfs/dbraw/zinc/41/91/51/822419151.db2.gz NCHGTHQIMMVZRO-VGSWGCGISA-N 0 1 396.510 4.293 20 0 GIADMN COc1cc(-c2ccccc2)ccc1CNCc1ccccc1CS(C)(=O)=O ZINC000183067168 822419818 /nfs/dbraw/zinc/41/98/18/822419818.db2.gz UVJCJTXZZAHHDZ-UHFFFAOYSA-N 0 1 395.524 4.197 20 0 GIADMN O=C(Nc1ccc(N2CCCCC2)c(Cl)c1)N1CCCC[C@@H]1c1nnc[nH]1 ZINC000183076315 822421343 /nfs/dbraw/zinc/42/13/43/822421343.db2.gz LSIXYRPEWRHBIJ-QGZVFWFLSA-N 0 1 388.903 4.208 20 0 GIADMN CCN(CC)C(=O)[C@@H](c1ccccc1)N1CCC([C@@H](O)c2ccccc2)CC1 ZINC000045914070 822423396 /nfs/dbraw/zinc/42/33/96/822423396.db2.gz VHHSKFZIQUAEEL-PKTZIBPZSA-N 0 1 380.532 4.042 20 0 GIADMN CCC[C@H]1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000454032435 822423760 /nfs/dbraw/zinc/42/37/60/822423760.db2.gz GNETZULOFGSEFV-QWHCGFSZSA-N 0 1 392.450 4.162 20 0 GIADMN O[C@@H](CN1CCC(OCc2ccccc2)CC1)c1ccccc1Br ZINC000178997954 822427939 /nfs/dbraw/zinc/42/79/39/822427939.db2.gz SFUMLKTWYLSJFW-FQEVSTJZSA-N 0 1 390.321 4.164 20 0 GIADMN C[S@](=O)C[C@H](NCc1ccc(C(=O)Nc2ccccc2)cc1)c1ccccc1 ZINC000183140973 822430035 /nfs/dbraw/zinc/43/00/35/822430035.db2.gz HHFHGEUVJXOXBR-DWACAAAGSA-N 0 1 392.524 4.148 20 0 GIADMN C[C@@H](c1ccncc1)N1CCC(NC(=O)Nc2ccc3scnc3c2)CC1 ZINC000179027272 822431159 /nfs/dbraw/zinc/43/11/59/822431159.db2.gz YLMSADNPVYUWSD-AWEZNQCLSA-N 0 1 381.505 4.038 20 0 GIADMN O=C(NC[C@@H](c1ccco1)N1CCCC1)N1CCC[C@@H]1c1ccc(F)cc1F ZINC000454151646 822433521 /nfs/dbraw/zinc/43/35/21/822433521.db2.gz NIPOBUNJIHXSRG-MOPGFXCFSA-N 0 1 389.446 4.241 20 0 GIADMN Cc1nn(C)cc1CNCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000179057143 822434150 /nfs/dbraw/zinc/43/41/50/822434150.db2.gz GUPNXOYFTNIALS-UHFFFAOYSA-N 0 1 375.451 4.010 20 0 GIADMN C[C@H](O)C[C@H]1CCCN1Cc1csc(-c2cccc(Br)c2)n1 ZINC000179085636 822436687 /nfs/dbraw/zinc/43/66/87/822436687.db2.gz FTIKTIJCIFIKLW-BLLLJJGKSA-N 0 1 381.339 4.308 20 0 GIADMN Cc1cccc(C)c1NC(=O)[C@H](C)N1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000183187853 822438125 /nfs/dbraw/zinc/43/81/25/822438125.db2.gz LKHGEASGEVSFQO-HNNXBMFYSA-N 0 1 394.441 4.183 20 0 GIADMN CN(C(=O)Nc1ccc(OC(F)F)cc1)C1CCN(CCC(F)(F)F)CC1 ZINC000454208669 822439101 /nfs/dbraw/zinc/43/91/01/822439101.db2.gz QGDOHPXDGRIBCI-UHFFFAOYSA-N 0 1 395.372 4.169 20 0 GIADMN CN(C)[C@@H](CNC(=O)N1CCC[C@@H]1c1ccc(F)cc1F)c1ccsc1 ZINC000454237852 822442343 /nfs/dbraw/zinc/44/23/43/822442343.db2.gz LODUMUIPFRLMSF-MSOLQXFVSA-N 0 1 379.476 4.176 20 0 GIADMN COc1cccc([C@@H]2[C@@H](NC(=O)[C@@H](C)c3cccc(F)c3)CCN2C2CC2)c1 ZINC000183231534 822444799 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PJTIUNXHGATILZ-KCZVDYSFSA-N 0 1 383.442 4.259 20 0 GIADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)CCc2nc3cc(Cl)ccc3s2)n[nH]1 ZINC000575971949 824041949 /nfs/dbraw/zinc/04/19/49/824041949.db2.gz MCQCPHLEXSNTOA-MNOVXSKESA-N 0 1 391.928 4.391 20 0 GIADMN COc1cc(C)ccc1NS(=O)(=O)c1ccc(OC(F)F)c(Cl)c1 ZINC000071977811 205300684 /nfs/dbraw/zinc/30/06/84/205300684.db2.gz FJEQSWGBDKPNPJ-UHFFFAOYSA-N 0 1 377.796 4.059 20 0 GIADMN CCOc1ccc2nc(S[C@@H](C)C(=O)Nc3cccc(C(C)=O)c3)[nH]c2c1 ZINC000005667463 206217120 /nfs/dbraw/zinc/21/71/20/206217120.db2.gz UPSMJOZLSQQUFG-ZDUSSCGKSA-N 0 1 383.473 4.284 20 0 GIADMN CCc1ccc([C@@H]([NH2+]Cc2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)C(C)C)cc1 ZINC000737259135 600071693 /nfs/dbraw/zinc/07/16/93/600071693.db2.gz NOIGDNFDHGCMBY-FQEVSTJZSA-N 0 1 379.460 4.083 20 0 GIADMN O=C([O-])N1CCC[C@H]([N@@H+](Cc2ccccc2)Cc2cc3ccccc3[nH]c2=O)C1 ZINC000740515285 602553343 /nfs/dbraw/zinc/55/33/43/602553343.db2.gz PKRSJFHNBDFPLA-FQEVSTJZSA-N 0 1 391.471 4.085 20 0 GIADMN O=C([O-])N1CCC[C@@H]([N@@H+](Cc2ccccc2)Cc2cc3ccccc3[nH]c2=O)C1 ZINC000740515286 602553413 /nfs/dbraw/zinc/55/34/13/602553413.db2.gz PKRSJFHNBDFPLA-HXUWFJFHSA-N 0 1 391.471 4.085 20 0 GIADMN CC(C)(C(=O)[O-])[C@@H]([NH2+]Cc1nc2c3ccccc3oc2c(=O)[nH]1)c1ccccc1 ZINC000833415572 605176176 /nfs/dbraw/zinc/17/61/76/605176176.db2.gz TYBHBDNWLIXRMA-IBGZPJMESA-N 0 1 391.427 4.023 20 0 GIADMN Cc1nc(CN2CCCC23CCN(c2ncc4ccccc4n2)CC3)cs1 ZINC001164690885 719803242 /nfs/dbraw/zinc/80/32/42/719803242.db2.gz BSTIVMNPTRMXBC-UHFFFAOYSA-N 0 1 379.533 4.030 20 0 GIADMN Cc1nc(CN2CCCC23CCN(c2ccc(C(C)(C)C)nn2)CC3)cs1 ZINC001164693031 719814176 /nfs/dbraw/zinc/81/41/76/719814176.db2.gz SVKHCQGGMJYODD-UHFFFAOYSA-N 0 1 385.581 4.174 20 0 GIADMN Cc1ccc2ccnc(N3CCC4(CC3)CN(Cc3cccs3)CCO4)c2c1 ZINC001164695295 719892207 /nfs/dbraw/zinc/89/22/07/719892207.db2.gz LYDWQDOJDPKYBU-UHFFFAOYSA-N 0 1 393.556 4.476 20 0 GIADMN Cc1cc2nc(Cl)c(N3CC[C@@H]4[C@@H]3CCN4Cc3cccnc3)nc2cc1C ZINC001164725820 720405088 /nfs/dbraw/zinc/40/50/88/720405088.db2.gz NQUJRFXMEVLSIV-UXHICEINSA-N 0 1 393.922 4.148 20 0 GIADMN F[C@@H](Oc1ccnc(Cl)c1)N1CC(c2ncn3cc(-c4ccoc4)ccc23)C1 ZINC001165014208 721767504 /nfs/dbraw/zinc/76/75/04/721767504.db2.gz FDASVHYGZVAMAI-HXUWFJFHSA-N 0 1 398.825 4.374 20 0 GIADMN F[C@@H](Oc1cccc(Cl)n1)N1CC(c2ncn3cc(-c4ccoc4)ccc23)C1 ZINC001165015949 721767737 /nfs/dbraw/zinc/76/77/37/721767737.db2.gz UCPGFZASQJKICZ-HXUWFJFHSA-N 0 1 398.825 4.374 20 0 GIADMN COc1cccc(OC)c1CN1CCC(N(C)c2ncc(C)cc2Cl)CC1 ZINC001165019274 721838605 /nfs/dbraw/zinc/83/86/05/721838605.db2.gz CARKDPWUBLWGGT-UHFFFAOYSA-N 0 1 389.927 4.161 20 0 GIADMN Fc1ccc2nc(C(F)(F)N3CCN(C4CCCC4)CC3)nc(Cl)c2c1 ZINC001165029106 721855591 /nfs/dbraw/zinc/85/55/91/721855591.db2.gz SAVPREFAGAUPFD-UHFFFAOYSA-N 0 1 384.833 4.032 20 0 GIADMN FC(F)(c1cc(-c2ccccc2)nnc1Cl)N1CCN(C2CCCC2)CC1 ZINC001165032649 721860191 /nfs/dbraw/zinc/86/01/91/721860191.db2.gz XBCCTMQYIICYIX-UHFFFAOYSA-N 0 1 392.881 4.407 20 0 GIADMN Cc1ccc(CN2CCOC3(CCN(c4nc(C)ccc4Cl)CC3)C2)cc1 ZINC001164939765 721922750 /nfs/dbraw/zinc/92/27/50/721922750.db2.gz MUZSSAAEIBBPCD-UHFFFAOYSA-N 0 1 385.939 4.223 20 0 GIADMN Cc1ccc(CN2CCOC3(CCN(c4nc(Cl)ccc4F)CC3)C2)cc1 ZINC001164938972 721923097 /nfs/dbraw/zinc/92/30/97/721923097.db2.gz FEKKEVIZQCDJNI-UHFFFAOYSA-N 0 1 389.902 4.054 20 0 GIADMN Fc1cccc(CN2CC[C@@]23CCCN(c2nnc(Cl)c4ccoc42)C3)c1 ZINC001164993744 722204546 /nfs/dbraw/zinc/20/45/46/722204546.db2.gz AJWGJUDUHUHALJ-HXUWFJFHSA-N 0 1 386.858 4.260 20 0 GIADMN O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)[C@@H](O)Cc1cccc(C(F)(F)F)c1 ZINC000187342647 823046317 /nfs/dbraw/zinc/04/63/17/823046317.db2.gz MZDSXIRFHPWVEA-AWEZNQCLSA-N 0 1 399.319 4.061 20 0 GIADMN C[C@H]1C[C@@H](N(C)C(=O)c2cc(F)c([O-])c(Cl)c2)CC[N@H+]1Cc1ccccc1 ZINC000187359493 823049304 /nfs/dbraw/zinc/04/93/04/823049304.db2.gz PTBIXEJMIAJHEH-YOEHRIQHSA-N 0 1 390.886 4.310 20 0 GIADMN Cc1ccc([C@H](C)NC(=O)N(C)C2CCN(CCC(F)(F)F)CC2)cc1F ZINC000458520738 823050372 /nfs/dbraw/zinc/05/03/72/823050372.db2.gz KQQJPAASTZAYKO-AWEZNQCLSA-N 0 1 389.437 4.253 20 0 GIADMN Cc1cccc(NC(=O)NCc2ccc(CN(C)C)c(F)c2)c1Br ZINC000120729994 823053943 /nfs/dbraw/zinc/05/39/43/823053943.db2.gz NNFYEOWTJUMMJM-UHFFFAOYSA-N 0 1 394.288 4.280 20 0 GIADMN CC(C)(C)OCc1cc(CNC(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)no1 ZINC000187372741 823051580 /nfs/dbraw/zinc/05/15/80/823051580.db2.gz WMWNRMCZEYUMRN-UHFFFAOYSA-N 0 1 393.394 4.125 20 0 GIADMN Cc1cccc(NC(=O)NC[C@@H](c2ccco2)N2CCCC2)c1Br ZINC000120725901 823053255 /nfs/dbraw/zinc/05/32/55/823053255.db2.gz BHBKGMQUTAMEEQ-HNNXBMFYSA-N 0 1 392.297 4.309 20 0 GIADMN CCS(=O)(=O)c1ccc([C@H](C)NCc2ccc(C(F)(F)F)s2)cc1 ZINC000570552202 823053248 /nfs/dbraw/zinc/05/32/48/823053248.db2.gz OJTVFKWIXZYOQX-NSHDSACASA-N 0 1 377.453 4.411 20 0 GIADMN CC(C)c1nnc(-c2ccccc2NC(=O)c2occc2Br)[nH]1 ZINC000175848824 823054936 /nfs/dbraw/zinc/05/49/36/823054936.db2.gz DRGLVJMUIOEISK-UHFFFAOYSA-N 0 1 375.226 4.203 20 0 GIADMN CC[C@H](CN(CC)C(=O)NC1CCN(Cc2ccccn2)CC1)c1ccccc1 ZINC000187403423 823056536 /nfs/dbraw/zinc/05/65/36/823056536.db2.gz LAXDBQBGKQSXSG-HXUWFJFHSA-N 0 1 394.563 4.271 20 0 GIADMN CC[C@@H](CN(CC)C(=O)NC1CCN(Cc2ccccn2)CC1)c1ccccc1 ZINC000187403410 823056694 /nfs/dbraw/zinc/05/66/94/823056694.db2.gz LAXDBQBGKQSXSG-FQEVSTJZSA-N 0 1 394.563 4.271 20 0 GIADMN Cc1cc(C)c(NC(=O)CNc2ccccc2CN2C[C@H](C)O[C@@H](C)C2)c(C)c1 ZINC000055870232 823057508 /nfs/dbraw/zinc/05/75/08/823057508.db2.gz OOBRUOVVTQFSTL-PMACEKPBSA-N 0 1 395.547 4.272 20 0 GIADMN C[C@@H](c1ccncc1)N1CCC(NC(=O)N2CC(c3cccc(Cl)c3)C2)CC1 ZINC000458586117 823059675 /nfs/dbraw/zinc/05/96/75/823059675.db2.gz VFWJWRMNORPSAS-INIZCTEOSA-N 0 1 398.938 4.069 20 0 GIADMN Cc1ccccc1C(C)(C)NC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000458584232 823059708 /nfs/dbraw/zinc/05/97/08/823059708.db2.gz TZCZHQJYDZSICI-SFHVURJKSA-N 0 1 380.536 4.150 20 0 GIADMN COc1ccc2nc(CN[C@H](C)c3cccc(N4CCOC4=O)c3)sc2c1 ZINC000187423361 823060970 /nfs/dbraw/zinc/06/09/70/823060970.db2.gz SYPIOAIGSZXEMH-CYBMUJFWSA-N 0 1 383.473 4.112 20 0 GIADMN C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)N1C(=O)NCc1ccc(CN(C)C)c(F)c1 ZINC000458605802 823062549 /nfs/dbraw/zinc/06/25/49/823062549.db2.gz ZHZPEQWZDWJUSW-WOSRLPQWSA-N 0 1 389.437 4.148 20 0 GIADMN Cc1cc(C)c(C[N@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])c(OCc2ccccc2)n1 ZINC000570638981 823065567 /nfs/dbraw/zinc/06/55/67/823065567.db2.gz OGAXTHMQIIPICR-NNWRFLSQSA-N 0 1 394.515 4.495 20 0 GIADMN CCN(CC)C(=O)c1ccc(NC(=O)CN2CCC[C@H]2c2cccc(C)c2)cc1 ZINC000055910857 823066088 /nfs/dbraw/zinc/06/60/88/823066088.db2.gz OSUGPBGCNFFYEQ-QFIPXVFZSA-N 0 1 393.531 4.253 20 0 GIADMN CCc1nn(C)c(OC)c1CN[C@H](C)c1sc(-c2ccccc2F)nc1C ZINC000120813243 823069154 /nfs/dbraw/zinc/06/91/54/823069154.db2.gz HGKPPGLDQWZTQO-GFCCVEGCSA-N 0 1 388.512 4.413 20 0 GIADMN COc1cc([C@H](C)N[C@H](c2ccc(F)cc2F)C(C)C)ccc1S(C)(=O)=O ZINC000120826392 823072284 /nfs/dbraw/zinc/07/22/84/823072284.db2.gz SZVHQPOAIFPXEV-RBZFPXEDSA-N 0 1 397.487 4.425 20 0 GIADMN Cc1cc(S(=O)(=O)Nc2cccc(Oc3cnccn3)c2)c(Cl)cc1F ZINC000120828515 823072579 /nfs/dbraw/zinc/07/25/79/823072579.db2.gz SDLWJKZDTRSKSX-UHFFFAOYSA-N 0 1 393.827 4.171 20 0 GIADMN CCO[C@H]1C[C@@](N)(C(=O)Nc2ccc(OC3CCCC3)c(Cl)c2)C1(C)C ZINC000187497564 823075354 /nfs/dbraw/zinc/07/53/54/823075354.db2.gz HJBQPDOOEONPDS-FXAWDEMLSA-N 0 1 380.916 4.132 20 0 GIADMN C[C@@H](NC(=O)c1c2ccccc2nc2c1CCCC2=Cc1ccco1)c1nnc[nH]1 ZINC000175933976 823076357 /nfs/dbraw/zinc/07/63/57/823076357.db2.gz ZAEUPEHCQLLEQL-QAALXFNPSA-N 0 1 399.454 4.314 20 0 GIADMN CC(C)c1nc(CNC(=O)N[C@@H](C)c2cccc(OCc3ccccc3)c2)n[nH]1 ZINC000458711645 823077423 /nfs/dbraw/zinc/07/74/23/823077423.db2.gz GAJYMLSNMNRPOE-INIZCTEOSA-N 0 1 393.491 4.068 20 0 GIADMN C[C@H](CC1CCCCC1)NC(=O)N(C)C1CCN(CCC(F)(F)F)CC1 ZINC000458717457 823077767 /nfs/dbraw/zinc/07/77/67/823077767.db2.gz KOHMNDWONBTOKT-OAHLLOKOSA-N 0 1 377.495 4.404 20 0 GIADMN Cc1cccnc1[C@H](N[C@@H](C)C(=O)Nc1nc2ccc(F)cc2s1)C(C)C ZINC000120881520 823081561 /nfs/dbraw/zinc/08/15/61/823081561.db2.gz WKYATRVELXHDFR-SUMWQHHRSA-N 0 1 386.496 4.453 20 0 GIADMN C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2cc(=O)c3ccccc3[n-]2)cc1 ZINC000056012325 823078618 /nfs/dbraw/zinc/07/86/18/823078618.db2.gz FWOFXXTXXGFFAP-INIZCTEOSA-N 0 1 375.472 4.155 20 0 GIADMN Cc1cccc2nc(CCC(=O)Nc3ccc(C(=O)NCC(C)C)cc3C)[nH]c21 ZINC000175955229 823081589 /nfs/dbraw/zinc/08/15/89/823081589.db2.gz KXBUBOJBCHYODK-UHFFFAOYSA-N 0 1 392.503 4.137 20 0 GIADMN C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3cc(=O)c4ccccc4[n-]3)cc2)C1 ZINC000056015094 823079213 /nfs/dbraw/zinc/07/92/13/823079213.db2.gz PCDIGQWKXCMRBH-INIZCTEOSA-N 0 1 375.472 4.012 20 0 GIADMN CC(C)CCOc1ccc(C(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)cc1 ZINC000120877890 823080980 /nfs/dbraw/zinc/08/09/80/823080980.db2.gz HWFCRDJHIMWGPE-SFHVURJKSA-N 0 1 382.508 4.127 20 0 GIADMN Cc1ccc(NC(=O)C2CC2)cc1NS(=O)(=O)c1cc(C)c(F)cc1Cl ZINC000120883303 823081877 /nfs/dbraw/zinc/08/18/77/823081877.db2.gz UNZDLPIALLHXGR-UHFFFAOYSA-N 0 1 396.871 4.245 20 0 GIADMN O=C(Nc1ncc(Cc2ccccc2F)s1)c1cc(=O)c2ccccc2[nH]1 ZINC000056081318 823082457 /nfs/dbraw/zinc/08/24/57/823082457.db2.gz QKRHHXSBOGQMFF-UHFFFAOYSA-N 0 1 379.416 4.379 20 0 GIADMN O=C(Nc1ccccc1CN1CCc2ccccc21)c1cc(=O)c2ccccc2[nH]1 ZINC000056092321 823083058 /nfs/dbraw/zinc/08/30/58/823083058.db2.gz OOPAJMARWSRKQE-UHFFFAOYSA-N 0 1 395.462 4.343 20 0 GIADMN Cc1ccc(CN2CCC(c3nnc4ccccn43)CC2)c(Br)c1 ZINC000120918127 823086756 /nfs/dbraw/zinc/08/67/56/823086756.db2.gz WVCYJTFETHOKHK-UHFFFAOYSA-N 0 1 385.309 4.180 20 0 GIADMN COc1ccc(NC(=O)c2cc(-c3ccc(F)cc3)n[nH]2)c(C(F)(F)F)c1 ZINC000056112923 823084490 /nfs/dbraw/zinc/08/44/90/823084490.db2.gz BQJYGLXERJZVJN-UHFFFAOYSA-N 0 1 379.313 4.496 20 0 GIADMN O=S(=O)(N[C@@H](CC(F)(F)F)c1ccccc1)c1ccc(F)c(F)c1F ZINC000056127988 823085758 /nfs/dbraw/zinc/08/57/58/823085758.db2.gz QJDWQCBLFLSBSV-NSHDSACASA-N 0 1 383.313 4.076 20 0 GIADMN C[C@@H](NC[C@@](C)(O)c1cccc(Cl)c1)c1ncc(Br)cc1F ZINC000187554085 823087549 /nfs/dbraw/zinc/08/75/49/823087549.db2.gz NUNLEFKSEYRFOG-QLJPJBMISA-N 0 1 387.680 4.195 20 0 GIADMN Cn1ccnc1Sc1ccc(NC(=O)c2c[nH]nc2-c2ccsc2)cc1 ZINC000187562523 823088827 /nfs/dbraw/zinc/08/88/27/823088827.db2.gz XOMDIXZPIAZUSD-UHFFFAOYSA-N 0 1 381.486 4.275 20 0 GIADMN CC(C)CCNC(=O)[C@H](C)N[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000056153076 823089719 /nfs/dbraw/zinc/08/97/19/823089719.db2.gz CTACSVGWRONMHF-MSOLQXFVSA-N 0 1 381.520 4.140 20 0 GIADMN CCC(CC)NC(=O)[C@@H](C)N[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000056153077 823089764 /nfs/dbraw/zinc/08/97/64/823089764.db2.gz ORBYQFOGWILIMG-DLBZAZTESA-N 0 1 381.520 4.283 20 0 GIADMN CCC(CC)NC(=O)[C@@H](C)N[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000056153079 823089883 /nfs/dbraw/zinc/08/98/83/823089883.db2.gz ORBYQFOGWILIMG-IAGOWNOFSA-N 0 1 381.520 4.283 20 0 GIADMN CN(C(=O)c1ccncc1)c1ccc(CNCc2c[nH]c(-c3ccccc3)n2)cc1 ZINC000175997076 823091551 /nfs/dbraw/zinc/09/15/51/823091551.db2.gz MLXXQNYBPQTMRJ-UHFFFAOYSA-N 0 1 397.482 4.038 20 0 GIADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)NCC[C@@H](c2ccccc2)C(F)(F)F)n[nH]1 ZINC000458824572 823092617 /nfs/dbraw/zinc/09/26/17/823092617.db2.gz YLVSTIKXMKRNDL-GUTXKFCHSA-N 0 1 397.445 4.415 20 0 GIADMN CC(=O)Nc1cccc(NC(=O)[C@@H](C)N[C@H](C)c2cccc(OC(C)C)c2)c1 ZINC000056156806 823091746 /nfs/dbraw/zinc/09/17/46/823091746.db2.gz XIQBVWQUVBGZAL-HZPDHXFCSA-N 0 1 383.492 4.110 20 0 GIADMN COc1ccc(OC)c(NC(=O)[C@H](C)N[C@H](C)c2cccc(OC(C)C)c2)c1 ZINC000056156954 823091814 /nfs/dbraw/zinc/09/18/14/823091814.db2.gz HYXZPWOGDJKHPX-CVEARBPZSA-N 0 1 386.492 4.169 20 0 GIADMN CNC(=O)c1ccc(C=C(Cl)c2nc3ccc(Br)cc3[nH]2)cc1 ZINC000187580672 823092150 /nfs/dbraw/zinc/09/21/50/823092150.db2.gz TTXAFEXKKLNKPY-JYRVWZFOSA-N 0 1 390.668 4.422 20 0 GIADMN CCCOc1ccc([C@@H](C)N[C@H](C)C(=O)Nc2c(F)cccc2F)cc1OC ZINC000056161845 823092732 /nfs/dbraw/zinc/09/27/32/823092732.db2.gz SHPZUFHDDYXSEL-ZIAGYGMSSA-N 0 1 392.446 4.440 20 0 GIADMN CCCOc1ccc([C@@H](C)N[C@H](C)C(=O)Nc2ccc(N(C)C)cc2)cc1OC ZINC000056161831 823092811 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ZINC000178449374 822380053 /nfs/dbraw/zinc/38/00/53/822380053.db2.gz HCQPQQQDLICWAB-INIZCTEOSA-N 0 1 375.451 4.263 20 0 GIADMN Cc1nc(-c2ccccc2F)sc1[C@H](C)N[C@H](C)C(=O)N1CCCCC1 ZINC000178463681 822381764 /nfs/dbraw/zinc/38/17/64/822381764.db2.gz NVPOJRIKKMICLB-DZGCQCFKSA-N 0 1 375.513 4.309 20 0 GIADMN CCOc1ccc2c(c1)[C@H](NCc1cc(Cl)c(OC)c(OC)c1)CCO2 ZINC000178471323 822382543 /nfs/dbraw/zinc/38/25/43/822382543.db2.gz OBKJIZIKWWVKFC-QGZVFWFLSA-N 0 1 377.868 4.369 20 0 GIADMN COc1ccc([C@@H](C)NCc2ccc(OC(F)(F)F)cc2)cc1NC(C)=O ZINC000178472796 822382796 /nfs/dbraw/zinc/38/27/96/822382796.db2.gz XWTTTXZSUHIYTP-GFCCVEGCSA-N 0 1 382.382 4.403 20 0 GIADMN COc1ccccc1NC(=O)C(C#N)C(=O)CC1CCC(C(F)(F)F)CC1 ZINC000182870655 822383097 /nfs/dbraw/zinc/38/30/97/822383097.db2.gz QLCLUEMLVVQWPS-RUXDESIVSA-N 0 1 382.382 4.101 20 0 GIADMN CN(C)[C@H](CNC(=O)CCSc1nc2ccccc2s1)c1ccsc1 ZINC000045495881 822390673 /nfs/dbraw/zinc/39/06/73/822390673.db2.gz JQDXVZBONAMJPA-OAHLLOKOSA-N 0 1 391.587 4.259 20 0 GIADMN Cc1cnc(CCNCc2csc(-c3ccc(C(F)(F)F)cc3)n2)cn1 ZINC000453601055 822391253 /nfs/dbraw/zinc/39/12/53/822391253.db2.gz TXCCMOLQASLADL-UHFFFAOYSA-N 0 1 378.423 4.260 20 0 GIADMN Cc1ccc(-c2n[nH]c(NC(=O)c3ccc(-n4cc[nH]c4=S)cc3)c2C)o1 ZINC000178564467 822392193 /nfs/dbraw/zinc/39/21/93/822392193.db2.gz FMXOHWPBKBQABB-UHFFFAOYSA-N 0 1 379.445 4.013 20 0 GIADMN C[C@H](NCc1ccc(CO)c(F)c1)c1ccc(OC(F)F)cc1OC(F)F ZINC000178566667 822392450 /nfs/dbraw/zinc/39/24/50/822392450.db2.gz NGIXKILEERMYFI-JTQLQIEISA-N 0 1 391.336 4.372 20 0 GIADMN OCC1([C@H](NCc2cnn(Cc3ccccc3)c2)c2ccccc2)CCCC1 ZINC000453611425 822392838 /nfs/dbraw/zinc/39/28/38/822392838.db2.gz IHUREZAKYBMCMQ-HSZRJFAPSA-N 0 1 375.516 4.315 20 0 GIADMN Cc1nn(-c2ccncc2)cc1CNc1ccc2c(c1)CN(CC(F)(F)F)C2 ZINC000453616656 822393991 /nfs/dbraw/zinc/39/39/91/822393991.db2.gz QDGGUVUHBVRZHH-UHFFFAOYSA-N 0 1 387.409 4.066 20 0 GIADMN Cc1cc(C(=O)CN(C[C@H]2CCOC2)C2CC2)c(C)n1CCc1cccs1 ZINC000178594859 822394848 /nfs/dbraw/zinc/39/48/48/822394848.db2.gz UKZZZNSVVIKRTE-GOSISDBHSA-N 0 1 386.561 4.093 20 0 GIADMN CC[C@H](C)N(CCc1cccnc1)CC(=O)Nc1ccccc1C(F)(F)F ZINC000178595122 822394905 /nfs/dbraw/zinc/39/49/05/822394905.db2.gz CZESLANYZQOEKO-HNNXBMFYSA-N 0 1 379.426 4.382 20 0 GIADMN Cc1cc(CN2CCCN(c3nccs3)CC2)nc(-c2ccc(Cl)cc2)n1 ZINC000178608784 822396024 /nfs/dbraw/zinc/39/60/24/822396024.db2.gz OAEALAZJJMRREE-UHFFFAOYSA-N 0 1 399.951 4.274 20 0 GIADMN Cc1cc(C)n(-c2ccc(CN[C@@H](C)c3cn(C)nc3C)c(C(F)(F)F)c2)n1 ZINC000178640996 822398882 /nfs/dbraw/zinc/39/88/82/822398882.db2.gz ZZWDTPJXNBGGJT-AWEZNQCLSA-N 0 1 391.441 4.401 20 0 GIADMN COc1cc(C(=O)NC[C@@H](c2ccco2)N2CCCC2)ccc1OC1CCCC1 ZINC000045614348 822400445 /nfs/dbraw/zinc/40/04/45/822400445.db2.gz FNZNTTAETPEHLZ-IBGZPJMESA-N 0 1 398.503 4.177 20 0 GIADMN C[C@@H](N[C@@H](C)c1ccc(Cl)s1)C(=O)NCCc1c[nH]c2ccccc12 ZINC000182972412 822402222 /nfs/dbraw/zinc/40/22/22/822402222.db2.gz FQUCVZKUAMPPIX-QWHCGFSZSA-N 0 1 375.925 4.281 20 0 GIADMN COc1ccc(/C=C/C(=O)NC[C@@H](c2ccccc2Cl)N2CCCC2)cc1 ZINC000045649122 822402803 /nfs/dbraw/zinc/40/28/03/822402803.db2.gz SNVZYOKCHQEFJX-BGVYSJOJSA-N 0 1 384.907 4.315 20 0 GIADMN CN(C)[C@@H](CNC(=O)N(C)Cc1ccc(C(F)(F)F)cc1)c1ccsc1 ZINC000045658499 822403115 /nfs/dbraw/zinc/40/31/15/822403115.db2.gz WTXYQKFXPHVRND-INIZCTEOSA-N 0 1 385.455 4.211 20 0 GIADMN CCOc1ccc2c(c1)[C@@H](N[C@H](C)c1ccc(N3CCCC3=O)cc1)CCO2 ZINC000178722393 822405735 /nfs/dbraw/zinc/40/57/35/822405735.db2.gz HTAFMNLPVJBBRX-IERDGZPVSA-N 0 1 380.488 4.387 20 0 GIADMN Cc1c([C@H](C)N[C@H](C)C(=O)N[C@@H](C)c2ccccc2)cnn1-c1ccc(F)cc1 ZINC000182994639 822407642 /nfs/dbraw/zinc/40/76/42/822407642.db2.gz YMYNTIIAHLAWTH-YESZJQIVSA-N 0 1 394.494 4.236 20 0 GIADMN COc1ccc(NC(=O)[C@H](C)N[C@H](C)c2cnn(-c3ccc(F)cc3)c2C)cc1 ZINC000183003220 822409409 /nfs/dbraw/zinc/40/94/09/822409409.db2.gz YVIJNNAIYWBERM-CABCVRRESA-N 0 1 396.466 4.006 20 0 GIADMN Cc1nn(C)cc1[C@@H](C)N[C@@H](C)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000178802148 822411659 /nfs/dbraw/zinc/41/16/59/822411659.db2.gz ZZDNKEOYNJDEBI-DAYGRLMNSA-N 0 1 375.488 4.227 20 0 GIADMN CC(C)CCN(C(=O)NCc1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1)C1CC1 ZINC000045787249 822413474 /nfs/dbraw/zinc/41/34/74/822413474.db2.gz JSBSVGANQNUHCD-KDURUIRLSA-N 0 1 387.568 4.016 20 0 GIADMN CCN(Cc1ccccc1)C(=O)NCc1ccc(CN2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000045787642 822413773 /nfs/dbraw/zinc/41/37/73/822413773.db2.gz UOUKPRBUXYIRCD-PMACEKPBSA-N 0 1 395.547 4.028 20 0 GIADMN Cc1ccc(NC(=O)[C@H](C)N[C@@H](C)c2ccc(NC(=O)C3CC3)cc2)c(F)c1 ZINC000045813288 822415867 /nfs/dbraw/zinc/41/58/67/822415867.db2.gz SHHGMQFVEURCMA-GJZGRUSLSA-N 0 1 383.467 4.160 20 0 GIADMN CNC(=O)c1cccc(CNCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 ZINC000178876476 822418068 /nfs/dbraw/zinc/41/80/68/822418068.db2.gz UFQLLGMXNFPFQQ-UHFFFAOYSA-N 0 1 390.327 4.374 20 0 GIADMN COc1cc([C@@H](C)NCc2cnc3nc(C)cc(C)n23)ccc1OCC(C)C ZINC000178876535 822418193 /nfs/dbraw/zinc/41/81/93/822418193.db2.gz WFODEGQSYPYUJX-QGZVFWFLSA-N 0 1 382.508 4.240 20 0 GIADMN CCn1cc(C(=O)Nc2ccccc2N2CCN(CC)CC2)c2ccccc21 ZINC000045865294 822419985 /nfs/dbraw/zinc/41/99/85/822419985.db2.gz SKDHGIVKZJCISW-UHFFFAOYSA-N 0 1 376.504 4.055 20 0 GIADMN COc1ccccc1-c1cccc(NC(=O)N2CCCC[C@H]2c2nnc[nH]2)c1 ZINC000183081277 822422253 /nfs/dbraw/zinc/42/22/53/822422253.db2.gz SXZJLCODEHUNGQ-SFHVURJKSA-N 0 1 377.448 4.239 20 0 GIADMN Cc1cc([C@H](NC(=O)N[C@@H](C)c2nnc[nH]2)c2ccccc2Cl)ccc1F ZINC000183086039 822422910 /nfs/dbraw/zinc/42/29/10/822422910.db2.gz GPYFTJCUCGMQIB-SJCJKPOMSA-N 0 1 387.846 4.055 20 0 GIADMN CN(Cc1ccccc1)Cc1cccc(C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1 ZINC000178946409 822423831 /nfs/dbraw/zinc/42/38/31/822423831.db2.gz ABFDHOVNYTWIHH-ZRBLBEILSA-N 0 1 390.527 4.006 20 0 GIADMN O=C(CN1CCCCCC1)Nc1ccc(NC(=O)c2cc(F)ccc2F)cc1 ZINC000045941324 822425790 /nfs/dbraw/zinc/42/57/90/822425790.db2.gz VEALUEMUCLYITP-UHFFFAOYSA-N 0 1 387.430 4.032 20 0 GIADMN O=C(CN1CCCCCC1)Nc1ccc(NC(=O)c2ccc(F)c(F)c2)cc1 ZINC000045941817 822425943 /nfs/dbraw/zinc/42/59/43/822425943.db2.gz SUFHLZKVXYITQR-UHFFFAOYSA-N 0 1 387.430 4.032 20 0 GIADMN C[C@@H](c1ccncc1)N1CCC(NC(=O)Nc2cccc(-n3cccc3)c2)CC1 ZINC000179028505 822431312 /nfs/dbraw/zinc/43/13/12/822431312.db2.gz WZNFJJYYKJVNDZ-SFHVURJKSA-N 0 1 389.503 4.219 20 0 GIADMN O=C(C[C@H]1CSCCS1)N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1 ZINC000179044052 822433012 /nfs/dbraw/zinc/43/30/12/822433012.db2.gz ABJMHSNJKSCFBB-JXFKEZNVSA-N 0 1 383.542 4.007 20 0 GIADMN O=C(Nc1nc2ccc(C(F)(F)F)cc2[nH]1)c1cnc([C@H]2CCCO2)s1 ZINC000179069634 822434957 /nfs/dbraw/zinc/43/49/57/822434957.db2.gz ADOZXIADSOBYGQ-LLVKDONJSA-N 0 1 382.367 4.142 20 0 GIADMN C[C@H](NCc1cn2cc(Cl)ccc2n1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000179090427 822436995 /nfs/dbraw/zinc/43/69/95/822436995.db2.gz VOVPPWGSBXDNHD-KSFYIVLOSA-N 0 1 399.922 4.403 20 0 GIADMN COC(=O)c1oc(CN2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)cc1C ZINC000179092155 822437254 /nfs/dbraw/zinc/43/72/54/822437254.db2.gz TVCRHBHYUXRPTN-LLVKDONJSA-N 0 1 388.411 4.230 20 0 GIADMN COCc1ccccc1NC(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1 ZINC000046033039 822437359 /nfs/dbraw/zinc/43/73/59/822437359.db2.gz RZJIXHSTZRUTPE-FQEVSTJZSA-N 0 1 387.911 4.445 20 0 GIADMN COc1ccc(NC(=O)N(C)C2CCN(CCC(F)(F)F)CC2)cc1Cl ZINC000454197786 822437833 /nfs/dbraw/zinc/43/78/33/822437833.db2.gz BLFMHTMQBHDWIU-UHFFFAOYSA-N 0 1 393.837 4.229 20 0 GIADMN CC(C)Oc1ccc([C@H](C)NC(=O)NC[C@@H](c2ccsc2)N(C)C)cc1 ZINC000046065560 822439111 /nfs/dbraw/zinc/43/91/11/822439111.db2.gz HEEMAWSHQYZKTH-KXBFYZLASA-N 0 1 375.538 4.198 20 0 GIADMN O=C(Nc1ccc(OCC(F)(F)F)cc1)c1ccc(Br)c(O)c1 ZINC000179145529 822443380 /nfs/dbraw/zinc/44/33/80/822443380.db2.gz SEPMMVXTMAXZGD-UHFFFAOYSA-N 0 1 390.155 4.348 20 0 GIADMN Cc1nnc(-c2ccccc2C(=O)O[C@@H](C)c2nc3ccc(Cl)cc3[nH]2)o1 ZINC000183238215 822446409 /nfs/dbraw/zinc/44/64/09/822446409.db2.gz JSFSAWHQTXTEET-JTQLQIEISA-N 0 1 382.807 4.493 20 0 GIADMN C[C@H](NCc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1)c1cccc(F)c1F ZINC000183241475 822446896 /nfs/dbraw/zinc/44/68/96/822446896.db2.gz SBLOZJVORASGSM-OAGGEKHMSA-N 0 1 388.458 4.065 20 0 GIADMN COc1cccc([C@@H]2[C@H](NC(=O)[C@@H]3C[C@@H]3c3sccc3C)CCN2C2CC2)c1 ZINC000183241471 822446933 /nfs/dbraw/zinc/44/69/33/822446933.db2.gz AMWCMXLLSWBVPL-DOIPELPJSA-N 0 1 396.556 4.263 20 0 GIADMN C[C@H](NCCc1nccn1Cc1ccccc1)c1ncc(Br)s1 ZINC000179200728 822450004 /nfs/dbraw/zinc/45/00/04/822450004.db2.gz WBFAOCSHXWQAOC-ZDUSSCGKSA-N 0 1 391.338 4.044 20 0 GIADMN CN(Cc1cccs1)C(=O)NC[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC000046226307 822452306 /nfs/dbraw/zinc/45/23/06/822452306.db2.gz LRASNSLCNOGOEU-SFHVURJKSA-N 0 1 377.941 4.380 20 0 GIADMN C[C@H](NCc1cc(Br)ccc1OC(F)F)c1cccc(CO)c1 ZINC000183291725 822453975 /nfs/dbraw/zinc/45/39/75/822453975.db2.gz OAZICUOFRDXAJP-NSHDSACASA-N 0 1 386.236 4.394 20 0 GIADMN COc1ccc(CCN[C@@H](C)c2ncc(Br)s2)c(Cl)c1 ZINC000179239790 822455981 /nfs/dbraw/zinc/45/59/81/822455981.db2.gz PVRZHBGJWFXJPJ-VIFPVBQESA-N 0 1 375.719 4.461 20 0 GIADMN C[C@H](N[C@@H]1CCN(c2ccc(Cl)cc2)C1)c1ncc(Br)s1 ZINC000183333642 822460280 /nfs/dbraw/zinc/46/02/80/822460280.db2.gz FLNBIFSQMRYYCT-CMPLNLGQSA-N 0 1 386.746 4.489 20 0 GIADMN COc1cccc([C@@H](CNC(=O)c2ccc([C@H](C)C(F)(F)F)cc2)N(C)C)c1 ZINC000454364320 822462587 /nfs/dbraw/zinc/46/25/87/822462587.db2.gz CTYQYGCYBHNFQT-IFXJQAMLSA-N 0 1 394.437 4.394 20 0 GIADMN CCCN1CCN(c2ccc(NC(=O)[C@H]3CCO[C@H](CC)C3)cc2Cl)CC1 ZINC000183356924 822463088 /nfs/dbraw/zinc/46/30/88/822463088.db2.gz JZFTUCJTZQKEFY-FUHWJXTLSA-N 0 1 393.959 4.016 20 0 GIADMN Cc1cc(CNC(C)(C)c2ccccc2Br)ccc1-n1cncn1 ZINC000179328539 822466958 /nfs/dbraw/zinc/46/69/58/822466958.db2.gz LSTLAQHQXCHHRO-UHFFFAOYSA-N 0 1 385.309 4.363 20 0 GIADMN C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179337079 822467856 /nfs/dbraw/zinc/46/78/56/822467856.db2.gz BZOVVIFRQMXUEZ-WBVHZDCISA-N 0 1 396.535 4.153 20 0 GIADMN O=C(c1ccc(SC(F)(F)F)cc1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179339979 822468007 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O=C(NC[C@@H](c1cccs1)N1CCCC1)c1csc(Br)c1 ZINC000032762913 821005078 /nfs/dbraw/zinc/00/50/78/821005078.db2.gz LSINCGUMVXCMQS-LBPRGKRZSA-N 0 1 385.352 4.139 20 0 GIADMN COc1cccc([C@H](CNC(=O)[C@H](C)c2ccc(F)c(F)c2)N2CCCC2)c1 ZINC000460819733 823521591 /nfs/dbraw/zinc/52/15/91/823521591.db2.gz SOQNDWWMEZOVEX-VFNWGFHPSA-N 0 1 388.458 4.030 20 0 GIADMN CCCn1ccc2ccc(NS(=O)(=O)c3ccccc3OC(F)F)cc21 ZINC000460824266 823522762 /nfs/dbraw/zinc/52/27/62/823522762.db2.gz QLDVUCQMDSLOOQ-UHFFFAOYSA-N 0 1 380.416 4.454 20 0 GIADMN C[C@H]1CCC[C@@H](N(C)C(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)C1 ZINC000033100290 821033967 /nfs/dbraw/zinc/03/39/67/821033967.db2.gz ADMXFYFPXSNFRG-SWLSCSKDSA-N 0 1 376.298 4.490 20 0 GIADMN Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NCC(=O)NCc1ccco1 ZINC000177801142 823527708 /nfs/dbraw/zinc/52/77/08/823527708.db2.gz FGXRZGYLUXZODG-LBPRGKRZSA-N 0 1 389.908 4.332 20 0 GIADMN O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)[C@@H]1CCCc2c(O)cccc21 ZINC000190026997 823527922 /nfs/dbraw/zinc/52/79/22/823527922.db2.gz DISWUCWKNIDXJI-OAQYLSRUSA-N 0 1 398.934 4.246 20 0 GIADMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)CCC(C)C)ccc1C ZINC000036147696 821069519 /nfs/dbraw/zinc/06/95/19/821069519.db2.gz VVARERFXQFOVIG-UHFFFAOYSA-N 0 1 390.505 4.179 20 0 GIADMN COc1cc(Br)ccc1[C@H](C)NCc1cccc(C(=O)N(C)C)c1 ZINC000190446481 823575283 /nfs/dbraw/zinc/57/52/83/823575283.db2.gz TZDSYWUCXYHFQR-ZDUSSCGKSA-N 0 1 391.309 4.010 20 0 GIADMN COc1cccc([C@@H](CNC(=O)c2ccc(F)cc2Cl)N2CCCC2)c1 ZINC000036350598 821071882 /nfs/dbraw/zinc/07/18/82/821071882.db2.gz JCNUUQKMMJHKIZ-LJQANCHMSA-N 0 1 376.859 4.055 20 0 GIADMN C[C@@H](NCc1ccc(Cn2cncn2)cc1)c1nc(-c2ccccc2)cs1 ZINC000177777178 823524745 /nfs/dbraw/zinc/52/47/45/823524745.db2.gz XVYDUWQBXZBMCU-MRXNPFEDSA-N 0 1 375.501 4.301 20 0 GIADMN COc1cc(/C=C/C(=O)c2ccc(Br)s2)cc([N+](=O)[O-])c1O ZINC000038315924 821095119 /nfs/dbraw/zinc/09/51/19/821095119.db2.gz VDXAZYQYHYIJBY-NSCUHMNNSA-N 0 1 384.207 4.029 20 0 GIADMN Cc1ccc(NS(=O)(=O)c2cccc(C(C)C)c2)c(OC[C@H]2CCCO2)c1 ZINC000460836089 823525669 /nfs/dbraw/zinc/52/56/69/823525669.db2.gz OKKSABUCFVLFNH-GOSISDBHSA-N 0 1 389.517 4.477 20 0 GIADMN O[C@@H](CN1CCC(OCc2ccccc2)CC1)c1ccccc1C(F)(F)F ZINC000060466480 823531206 /nfs/dbraw/zinc/53/12/06/823531206.db2.gz ISTPFTHUBPACDR-FQEVSTJZSA-N 0 1 379.422 4.420 20 0 GIADMN C[C@@H](N[C@@H]1CC(C)(C)Oc2cc(F)ccc21)c1ccc(S(C)(=O)=O)cc1 ZINC000177826402 823531793 /nfs/dbraw/zinc/53/17/93/823531793.db2.gz QKFRAGMIWKEBGC-FZKQIMNGSA-N 0 1 377.481 4.182 20 0 GIADMN Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(F)c2)c(Br)c1 ZINC000040446644 821159882 /nfs/dbraw/zinc/15/98/82/821159882.db2.gz UVRDMVUEKYSVCZ-UHFFFAOYSA-N 0 1 378.650 4.351 20 0 GIADMN CCN(CC)C(=O)c1ccc(NS(=O)(=O)c2cc(C)c(F)cc2Cl)cc1 ZINC000177835656 823533702 /nfs/dbraw/zinc/53/37/02/823533702.db2.gz WPTZOTRVEFXKRA-UHFFFAOYSA-N 0 1 398.887 4.070 20 0 GIADMN Cc1csc(-c2cccc(C(=O)Nc3ccc(N4CCN(C)CC4)cc3)c2)n1 ZINC000041335953 821183906 /nfs/dbraw/zinc/18/39/06/821183906.db2.gz XDQKWGXDXNYLMX-UHFFFAOYSA-N 0 1 392.528 4.123 20 0 GIADMN COc1ccc([C@@H](CNC(=O)c2cc3cccc(C)c3o2)N2CCCC2)cc1 ZINC000041330235 821184058 /nfs/dbraw/zinc/18/40/58/821184058.db2.gz JROGGTALOCFPAY-HXUWFJFHSA-N 0 1 378.472 4.317 20 0 GIADMN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cccc(C(=O)c2ccccc2)c1 ZINC000177840772 823534779 /nfs/dbraw/zinc/53/47/79/823534779.db2.gz KKFFYWHEGSLEQM-RTWAWAEBSA-N 0 1 377.488 4.008 20 0 GIADMN CCN(C(C)=O)c1nc(C=CC(=O)c2[nH]c(-c3ccccc3)nc2C)cs1 ZINC000041575031 821212472 /nfs/dbraw/zinc/21/24/72/821212472.db2.gz UKCDQVHHSRYNIP-ZHACJKMWSA-N 0 1 380.473 4.111 20 0 GIADMN COc1ccc(-c2n[nH]c(SCc3nc(-c4cccc(C)c4)no3)n2)cc1 ZINC000041704892 821219170 /nfs/dbraw/zinc/21/91/70/821219170.db2.gz YWFVYFHTXNUCSA-UHFFFAOYSA-N 0 1 379.445 4.131 20 0 GIADMN COc1cccc([C@H](CNC(=O)c2c(F)cccc2Cl)N2CCCC2)c1 ZINC000041816127 821233121 /nfs/dbraw/zinc/23/31/21/821233121.db2.gz CVIUXQZVGPSZRJ-SFHVURJKSA-N 0 1 376.859 4.055 20 0 GIADMN O=C(Nc1cccc(NC(=O)c2cc(=O)c3ccccc3[nH]2)c1)c1cccs1 ZINC000041869135 821240499 /nfs/dbraw/zinc/24/04/99/821240499.db2.gz VDABJKNGKLFWMA-UHFFFAOYSA-N 0 1 389.436 4.094 20 0 GIADMN CC(C)c1ccc(NC(=O)N2CCN(CC(C)(C)O)[C@H](C)C2)c(C(C)C)c1 ZINC000190112505 823538580 /nfs/dbraw/zinc/53/85/80/823538580.db2.gz PIDCIMOFCXPQJE-QGZVFWFLSA-N 0 1 375.557 4.242 20 0 GIADMN CCN(CC)Cc1ccc(C(=O)N2CCC[C@@H]2c2ccc(OC)c(OC)c2)o1 ZINC000042062977 821258888 /nfs/dbraw/zinc/25/88/88/821258888.db2.gz SRPLJLKWRWHPKT-GOSISDBHSA-N 0 1 386.492 4.116 20 0 GIADMN C[C@@H](C(=O)Nc1cccc2ncccc21)N1CCC(OCc2ccccc2)CC1 ZINC000042563737 821310482 /nfs/dbraw/zinc/31/04/82/821310482.db2.gz NSURLRLDDHCNBD-SFHVURJKSA-N 0 1 389.499 4.243 20 0 GIADMN C[C@@H](NC(=O)[C@H](C)N[C@@H](C)c1ccc2c(c1)OCO2)c1ccc2ccccc2c1 ZINC000042642653 821319090 /nfs/dbraw/zinc/31/90/90/821319090.db2.gz JECJYMYVQIMJMT-BBWFWOEESA-N 0 1 390.483 4.485 20 0 GIADMN CCOC(=O)c1sc2ncnc(Sc3nc(-c4ccccc4)n[nH]3)c2c1C ZINC000042677836 821323690 /nfs/dbraw/zinc/32/36/90/821323690.db2.gz AVWHZSUKEAPKLJ-UHFFFAOYSA-N 0 1 397.485 4.113 20 0 GIADMN COc1cccc([C@H]2CCCN2C(=O)NC[C@@H](c2ccco2)N2CCCCC2)c1 ZINC000043136506 821366659 /nfs/dbraw/zinc/36/66/59/821366659.db2.gz VOAOGFADAHQJDT-RTWAWAEBSA-N 0 1 397.519 4.362 20 0 GIADMN CC(C)Oc1ccc([C@H](C)NC(=O)NC[C@H](c2ccco2)N2CCCC2)cc1 ZINC000043167136 821371683 /nfs/dbraw/zinc/37/16/83/821371683.db2.gz VCYDDWDRMFHGRI-FXAWDEMLSA-N 0 1 385.508 4.264 20 0 GIADMN CC[C@H](NCC(=O)Nc1ccccc1C(F)(F)F)c1ccc2c(c1)OCCO2 ZINC000180639326 821378258 /nfs/dbraw/zinc/37/82/58/821378258.db2.gz HUFSPNCZQDDEHY-HNNXBMFYSA-N 0 1 394.393 4.156 20 0 GIADMN CN(C)[C@H](CNC(=O)Nc1ccc(Br)cc1F)c1cccs1 ZINC000043260261 821382168 /nfs/dbraw/zinc/38/21/68/821382168.db2.gz YWHXRIFNDSVHLT-CYBMUJFWSA-N 0 1 386.290 4.074 20 0 GIADMN CCOc1ccc([C@H](C)N[C@@H](C)C(=O)Nc2ccc(N(C)C)cc2)cc1OCC ZINC000043301752 821388060 /nfs/dbraw/zinc/38/80/60/821388060.db2.gz CZZYNJQMRMGSPK-IRXDYDNUSA-N 0 1 399.535 4.228 20 0 GIADMN CC(C)(CCO)CN[C@@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl ZINC000180684785 821394319 /nfs/dbraw/zinc/39/43/19/821394319.db2.gz MGNLEKJORMPNCA-FQEVSTJZSA-N 0 1 375.896 4.199 20 0 GIADMN O[C@]1(CN[C@H](c2ccc(Br)cc2)c2ccccc2F)CCSC1 ZINC000180702224 821404485 /nfs/dbraw/zinc/40/44/85/821404485.db2.gz KZWKQJZGCJZHCS-MSOLQXFVSA-N 0 1 396.325 4.135 20 0 GIADMN Cc1cc(Br)ccc1NC(=O)NC[C@H](c1cccs1)N(C)C ZINC000043449146 821408213 /nfs/dbraw/zinc/40/82/13/821408213.db2.gz NLUVXMFEWVBVHX-CQSZACIVSA-N 0 1 382.327 4.243 20 0 GIADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N1CCC[C@H]1c1cccs1 ZINC000043491054 821416446 /nfs/dbraw/zinc/41/64/46/821416446.db2.gz DEPCFOBENBFCRS-IBGZPJMESA-N 0 1 384.549 4.177 20 0 GIADMN CCN1CCN(c2ccccc2NC(=O)N2CCC[C@H]2c2ccc(F)cc2)CC1 ZINC000043574681 821429323 /nfs/dbraw/zinc/42/93/23/821429323.db2.gz LWNLSFNKKNUOQX-NRFANRHFSA-N 0 1 396.510 4.337 20 0 GIADMN CCN1CCN(c2ccccc2NC(=O)NCCSc2ccc(C)cc2)CC1 ZINC000043601907 821430363 /nfs/dbraw/zinc/43/03/63/821430363.db2.gz FVYDRBCMDGJQQC-UHFFFAOYSA-N 0 1 398.576 4.051 20 0 GIADMN CCN(CC)C(=O)CCC1CC[NH+](Cc2cc(Br)ccc2[O-])CC1 ZINC000180771925 821446685 /nfs/dbraw/zinc/44/66/85/821446685.db2.gz OAVAGIYKLRHICG-UHFFFAOYSA-N 0 1 397.357 4.015 20 0 GIADMN Cc1c(C(=O)NC[C@@H](c2cccs2)N2CCCC2)cnn1-c1cccc(C)c1 ZINC000043729053 821448324 /nfs/dbraw/zinc/44/83/24/821448324.db2.gz HMEICJPVOWCVPD-FQEVSTJZSA-N 0 1 394.544 4.118 20 0 GIADMN Cc1cc([C@H](NC[C@@]2(CCO)CCOC2)c2ccccc2Cl)ccc1F ZINC000180775895 821449653 /nfs/dbraw/zinc/44/96/53/821449653.db2.gz JURUWPMCYLQPAY-LEWJYISDSA-N 0 1 377.887 4.256 20 0 GIADMN CC(C)c1nn(-c2ccccc2)c(Cl)c1CN1CCC(Cn2ccnn2)CC1 ZINC000180818884 821478827 /nfs/dbraw/zinc/47/88/27/821478827.db2.gz DIKXAQBYIOZQGB-UHFFFAOYSA-N 0 1 398.942 4.153 20 0 GIADMN CN(C)[C@@H](CNC(=O)Nc1ccc(OCC(F)(F)F)cc1)c1ccsc1 ZINC000043919041 821489798 /nfs/dbraw/zinc/48/97/98/821489798.db2.gz YJYRYARIOBZEFE-HNNXBMFYSA-N 0 1 387.427 4.114 20 0 GIADMN Cc1ccc(-c2nnc([C@H](C)N3CCC[C@H](c4nncn4C4CC4)C3)o2)cc1C ZINC000180874019 821506914 /nfs/dbraw/zinc/50/69/14/821506914.db2.gz XEVKJLKHQPRBHW-WMZOPIPTSA-N 0 1 392.507 4.220 20 0 GIADMN CC(C)CC(=O)Nc1ccc(NC(=O)NC[C@@H](c2cccs2)N(C)C)cc1 ZINC000044031648 821507936 /nfs/dbraw/zinc/50/79/36/821507936.db2.gz KHQUKDLSPLHMTF-KRWDZBQOSA-N 0 1 388.537 4.157 20 0 GIADMN COc1cccc([C@@H](CNC(=S)Nc2ccc3ccccc3c2)N(C)C)c1 ZINC000044055851 821513311 /nfs/dbraw/zinc/51/33/11/821513311.db2.gz AQJRCYOMYFHGBH-OAQYLSRUSA-N 0 1 379.529 4.438 20 0 GIADMN CCN1CCN(c2ccc(Cl)cc2NC(=S)Nc2ccccc2C#N)CC1 ZINC000044056357 821513973 /nfs/dbraw/zinc/51/39/73/821513973.db2.gz IPNSJNVRCACXKJ-UHFFFAOYSA-N 0 1 399.951 4.162 20 0 GIADMN C[C@@H](NCC(=O)NCCCOC1CCCCC1)c1ccc(-c2ccncc2)cc1 ZINC000180897104 821522373 /nfs/dbraw/zinc/52/23/73/821522373.db2.gz URKJTACFIHTTPL-LJQANCHMSA-N 0 1 395.547 4.255 20 0 GIADMN COC(=O)COc1cccc(CN[C@H](c2ccccc2)c2ccc(OC)cc2)c1 ZINC000180901638 821525514 /nfs/dbraw/zinc/52/55/14/821525514.db2.gz OOENNBSYNDHCAD-XMMPIXPASA-N 0 1 391.467 4.126 20 0 GIADMN CCCNC(=S)Nc1ccc(CN2CCN(c3cccc(C)c3)CC2)cc1 ZINC000044133631 821530500 /nfs/dbraw/zinc/53/05/00/821530500.db2.gz FYYDIAWCSBMFKC-UHFFFAOYSA-N 0 1 382.577 4.014 20 0 GIADMN COc1ccc(CN2CC[C@@H](N[C@H](C)c3oc4ccccc4c3C)C2=O)cc1 ZINC000180917202 821536872 /nfs/dbraw/zinc/53/68/72/821536872.db2.gz IIHYMCKNBOHCNJ-OXQOHEQNSA-N 0 1 378.472 4.202 20 0 GIADMN COc1ccc(CN2CC[C@H](N[C@H](C)c3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000180919803 821538065 /nfs/dbraw/zinc/53/80/65/821538065.db2.gz MBPGKHPXRJZHOY-KUHUBIRLSA-N 0 1 392.421 4.166 20 0 GIADMN C[C@@H](N[C@@H](C)C(=O)Nc1cccnc1Cl)c1ccc(-c2ccncc2)cc1 ZINC000180925889 821542308 /nfs/dbraw/zinc/54/23/08/821542308.db2.gz KVLYCZSZRZRIOP-CABCVRRESA-N 0 1 380.879 4.475 20 0 GIADMN C[C@@H](NCC(=O)Nc1cc(F)ccc1F)c1ccc(OCC(F)(F)F)cc1 ZINC000180951303 821553179 /nfs/dbraw/zinc/55/31/79/821553179.db2.gz FJVZQNKREZAESN-LLVKDONJSA-N 0 1 388.336 4.195 20 0 GIADMN C[C@@H](NCc1cc(F)cc2c1OCOC2)c1ccc(OCC(F)(F)F)cc1 ZINC000180954445 821554329 /nfs/dbraw/zinc/55/43/29/821554329.db2.gz FXRRMUKJBJXCAQ-GFCCVEGCSA-N 0 1 385.357 4.484 20 0 GIADMN CC(=O)c1cccc(NC(=O)CN[C@H](C)c2ccc(OCC(F)(F)F)cc2)c1 ZINC000180957333 821556083 /nfs/dbraw/zinc/55/60/83/821556083.db2.gz LIFJDPWLHKVACX-CYBMUJFWSA-N 0 1 394.393 4.120 20 0 GIADMN CCc1nc2ccccc2n1C1CCN([C@H](C)C(=O)Nc2ccccc2)CC1 ZINC000180961582 821558495 /nfs/dbraw/zinc/55/84/95/821558495.db2.gz DYOHFTYKHVHTNW-QGZVFWFLSA-N 0 1 376.504 4.263 20 0 GIADMN CCc1nc2ccccc2n1C1CCN(CC(=O)N[C@@H](C)c2ccccc2)CC1 ZINC000180965672 821560325 /nfs/dbraw/zinc/56/03/25/821560325.db2.gz XZBBXIVTLGLPJL-SFHVURJKSA-N 0 1 390.531 4.113 20 0 GIADMN CN(C)[C@@H](CNC(=O)c1cc2cc(Br)ccc2[nH]1)c1cccs1 ZINC000044302315 821562756 /nfs/dbraw/zinc/56/27/56/821562756.db2.gz LETAGCCKXXZWST-HNNXBMFYSA-N 0 1 392.322 4.025 20 0 GIADMN CCc1cc(=O)c2cc(NC(=O)c3oc4ccccc4c3CN(C)C)ccc2[nH]1 ZINC000180983353 821573475 /nfs/dbraw/zinc/57/34/75/821573475.db2.gz KULDNZOCTKASKI-UHFFFAOYSA-N 0 1 389.455 4.151 20 0 GIADMN 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/nfs/dbraw/zinc/44/95/64/822449564.db2.gz ZFBIPVWIMKOBRZ-UKRRQHHQSA-N 0 1 380.355 4.393 20 0 GIADMN COc1cccc([C@H]2[C@@H](NC(=O)c3ccccc3SC)CCN2C2CC2)c1 ZINC000183269898 822451429 /nfs/dbraw/zinc/45/14/29/822451429.db2.gz OAHKLEBKOFZNCO-FPOVZHCZSA-N 0 1 382.529 4.125 20 0 GIADMN COc1cccc([C@@H]2[C@H](NC(=O)c3c[nH]c4cc(F)ccc34)CCN2C2CC2)c1 ZINC000183271958 822451709 /nfs/dbraw/zinc/45/17/09/822451709.db2.gz WTLVPLJYQDKFDL-IFMALSPDSA-N 0 1 393.462 4.023 20 0 GIADMN Cc1cc(F)ccc1[C@H]1CCCN1C(=O)NC1CCN(Cc2ccncc2)CC1 ZINC000454291709 822452524 /nfs/dbraw/zinc/45/25/24/822452524.db2.gz OKQXLXXOEGPZCV-JOCHJYFZSA-N 0 1 396.510 4.040 20 0 GIADMN COc1cccc(N2CC[C@H](CN[C@H](C)c3ncc(Br)s3)C2)c1 ZINC000179222505 822453288 /nfs/dbraw/zinc/45/32/88/822453288.db2.gz DYRRHUZUXPMBQV-CHWSQXEVSA-N 0 1 396.354 4.091 20 0 GIADMN C[C@@H](NCCCCCC(=O)OC(C)(C)C)c1ncc(Br)s1 ZINC000179235486 822455306 /nfs/dbraw/zinc/45/53/06/822455306.db2.gz BOGWQYYWJNKJHC-LLVKDONJSA-N 0 1 377.348 4.458 20 0 GIADMN Cc1ccc(CN2CCSCC2)cc1NC(=O)c1cnc2ccc(F)cc2c1 ZINC000179232665 822454693 /nfs/dbraw/zinc/45/46/93/822454693.db2.gz OSYGQZGNGWIZDT-UHFFFAOYSA-N 0 1 395.503 4.483 20 0 GIADMN C[C@H](NCCOc1c(Cl)cc(Br)cc1Cl)c1cnccn1 ZINC000183330712 822459714 /nfs/dbraw/zinc/45/97/14/822459714.db2.gz UYPXEQQFMGIQFB-VIFPVBQESA-N 0 1 391.096 4.276 20 0 GIADMN COC(=O)COc1ccccc1[C@@H](C)N[C@@H]1CCSc2c(F)cccc21 ZINC000183349483 822462209 /nfs/dbraw/zinc/46/22/09/822462209.db2.gz CRVLRERKEGWFCA-CXAGYDPISA-N 0 1 375.465 4.265 20 0 GIADMN COc1cccc([C@H](CNC(=O)c2ccc([C@H](C)C(F)(F)F)cc2)N(C)C)c1 ZINC000454364330 822462545 /nfs/dbraw/zinc/46/25/45/822462545.db2.gz CTYQYGCYBHNFQT-LIRRHRJNSA-N 0 1 394.437 4.394 20 0 GIADMN COc1ccc(CNCc2cn(Cc3ccccc3)nc2C(C)(C)C)cc1O ZINC000179300682 822462787 /nfs/dbraw/zinc/46/27/87/822462787.db2.gz KCTWEPBKOUHVTH-UHFFFAOYSA-N 0 1 379.504 4.233 20 0 GIADMN COC(=O)COc1ccccc1[C@@H](C)N[C@@H](C)c1cccc(OC(F)F)c1 ZINC000183358438 822463355 /nfs/dbraw/zinc/46/33/55/822463355.db2.gz XAEMHCNVSLHPQJ-UONOGXRCSA-N 0 1 379.403 4.252 20 0 GIADMN O[C@H](COCc1ccccc1F)CN(Cc1ccco1)Cc1cccs1 ZINC000046344353 822463777 /nfs/dbraw/zinc/46/37/77/822463777.db2.gz ZORNQLGLFKUXRG-KRWDZBQOSA-N 0 1 375.465 4.060 20 0 GIADMN C[C@H](NC(=O)N[C@@H](c1ccccc1)[C@@H]1CCCc2ccccc21)c1nnc[nH]1 ZINC000183364846 822464322 /nfs/dbraw/zinc/46/43/22/822464322.db2.gz IDIMNWUIPUTYDK-BEVDRBHNSA-N 0 1 375.476 4.026 20 0 GIADMN Cc1ccc2nc(CNC(=O)[C@H](C)Sc3nc4ccccc4s3)[nH]c2c1 ZINC000179338793 822467996 /nfs/dbraw/zinc/46/79/96/822467996.db2.gz XOKPGMGUWUTMRF-LBPRGKRZSA-N 0 1 382.514 4.278 20 0 GIADMN O=C(c1ccc(Oc2ccccc2)cc1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179342726 822468516 /nfs/dbraw/zinc/46/85/16/822468516.db2.gz XWVYXOSCUCYZRS-GOSISDBHSA-N 0 1 388.471 4.494 20 0 GIADMN Cn1cc(CN2CCC(C(=O)c3ccc(Cl)cc3)CC2)c(-c2ccncc2)n1 ZINC000179345758 822468625 /nfs/dbraw/zinc/46/86/25/822468625.db2.gz AAZNNXCEDOCYJY-UHFFFAOYSA-N 0 1 394.906 4.230 20 0 GIADMN O=C([C@@H]1C[C@H]1c1ccc2ccccc2c1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179353395 822470040 /nfs/dbraw/zinc/47/00/40/822470040.db2.gz GCPMILHCJKYVBE-PCCBWWKXSA-N 0 1 386.499 4.345 20 0 GIADMN Cc1ccc(C)n1-c1sccc1C(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179355606 822470244 /nfs/dbraw/zinc/47/02/44/822470244.db2.gz XAOPAKQPRFLPHA-MRXNPFEDSA-N 0 1 395.532 4.171 20 0 GIADMN C[C@H](C(=O)Nc1ccc2nc(Cc3ccccc3F)[nH]c2c1)C1CCOCC1 ZINC000179357350 822470652 /nfs/dbraw/zinc/47/06/52/822470652.db2.gz OKDNOTPHVCLWKA-AWEZNQCLSA-N 0 1 381.451 4.294 20 0 GIADMN CCc1c(C(=O)Nc2ccc3nc([C@@H]4CCCO4)[nH]c3c2)cnn1CC(C)C ZINC000179372547 822472949 /nfs/dbraw/zinc/47/29/49/822472949.db2.gz YYEVURHQPFULBK-IBGZPJMESA-N 0 1 381.480 4.082 20 0 GIADMN COc1ccc(NC(C)=O)cc1NC(=O)[C@@H](C)N[C@H](C)c1cc(C)sc1C ZINC000179374372 822473143 /nfs/dbraw/zinc/47/31/43/822473143.db2.gz ITUYHQLAWPBGCM-CHWSQXEVSA-N 0 1 389.521 4.010 20 0 GIADMN COc1cc(F)c([C@@H](C)NC[C@@H](O)COc2ccccc2C(C)C)cc1OC ZINC000183434604 822474533 /nfs/dbraw/zinc/47/45/33/822474533.db2.gz BLQSYFRFKVYEDH-HZPDHXFCSA-N 0 1 391.483 4.057 20 0 GIADMN O=C(C=Cc1cccc(O)c1)Nc1ccccc1-c1nc(-c2ccccc2)n[nH]1 ZINC000183442887 822475616 /nfs/dbraw/zinc/47/56/16/822475616.db2.gz FKDSLPZLWVHPPP-BUHFOSPRSA-N 0 1 382.423 4.496 20 0 GIADMN O=C(Nc1ccccc1)C1CCN(C[C@@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000179398903 822477122 /nfs/dbraw/zinc/47/71/22/822477122.db2.gz WVDIYDDOOVNVAT-LJQANCHMSA-N 0 1 393.314 4.378 20 0 GIADMN CC[C@H](NCc1cccc(C(=O)NC[C@H]2CCCO2)c1)c1cc(C)ccc1OC ZINC000179408178 822478668 /nfs/dbraw/zinc/47/86/68/822478668.db2.gz BRLBZHRSLSMXOL-IRLDBZIGSA-N 0 1 396.531 4.153 20 0 GIADMN Fc1ccc([C@H](Cn2cnc3ccccc32)NCc2cccc3nccn32)cc1 ZINC000179423394 822480313 /nfs/dbraw/zinc/48/03/13/822480313.db2.gz GHCKWTHPWFOYIK-NRFANRHFSA-N 0 1 385.446 4.354 20 0 GIADMN C[C@H](NC[C@H](c1ccc(Cl)cc1)N1CCOC(C)(C)C1)c1nccs1 ZINC000179423293 822480349 /nfs/dbraw/zinc/48/03/49/822480349.db2.gz SWCKWOQCOHPFRS-WMLDXEAASA-N 0 1 379.957 4.299 20 0 GIADMN CN(C[C@@H]1CCN(Cc2ccc(CSC(F)F)o2)C1)C(=O)OC(C)(C)C ZINC000179450734 822484965 /nfs/dbraw/zinc/48/49/65/822484965.db2.gz SMGSHVJJZFPUOJ-ZDUSSCGKSA-N 0 1 390.496 4.424 20 0 GIADMN COC(=O)COc1ccccc1[C@@H](C)NCc1ccc(OC)cc1C(F)(F)F ZINC000183543278 822492692 /nfs/dbraw/zinc/49/26/92/822492692.db2.gz OHXAAERHOMUSGV-CYBMUJFWSA-N 0 1 397.393 4.117 20 0 GIADMN C[C@H](c1nc2ccccc2n1C(F)F)N1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000179508917 822493213 /nfs/dbraw/zinc/49/32/13/822493213.db2.gz CKRZUCJZUHHQES-OCCSQVGLSA-N 0 1 386.450 4.368 20 0 GIADMN CCc1sc(C(=O)NCc2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)cc1C ZINC000046623603 822494464 /nfs/dbraw/zinc/49/44/64/822494464.db2.gz TUNFDXGRZJJVIU-CALCHBBNSA-N 0 1 386.561 4.158 20 0 GIADMN C[C@H](Cn1ncc2ccccc2c1=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000179515886 822494815 /nfs/dbraw/zinc/49/48/15/822494815.db2.gz LWPWJGPRHWFKIO-CHWSQXEVSA-N 0 1 376.287 4.443 20 0 GIADMN Cc1nc2c(s1)[C@H](N[C@H]1CCN(c3ccc(Cl)c(F)c3)C1=O)CCC2 ZINC000179520278 822495890 /nfs/dbraw/zinc/49/58/90/822495890.db2.gz OZHIRPAWVLQQRS-CVEARBPZSA-N 0 1 379.888 4.017 20 0 GIADMN CC(C)n1c2ccccc2nc1[C@@H]1CCCN(C(=O)c2cnccc2N(C)C)C1 ZINC000183569247 822495941 /nfs/dbraw/zinc/49/59/41/822495941.db2.gz QBYDPJNICHMKLT-QGZVFWFLSA-N 0 1 391.519 4.098 20 0 GIADMN COc1ccc(NC(=O)[C@H](C)N[C@@H](C)c2oc3ccccc3c2C)c(OC)c1 ZINC000183573590 822496440 /nfs/dbraw/zinc/49/64/40/822496440.db2.gz NNDUIOVDTRGGDV-GJZGRUSLSA-N 0 1 382.460 4.436 20 0 GIADMN CCCCNC(=O)C1(NCc2sc(C)nc2C(F)(F)F)CCCCC1 ZINC000183615184 822501668 /nfs/dbraw/zinc/50/16/68/822501668.db2.gz YPUINNHZSNHGQG-UHFFFAOYSA-N 0 1 377.476 4.179 20 0 GIADMN CCC[C@@H]1C[C@@H](C(=O)Nc2cc(CN3CCSCC3)ccc2C)CCO1 ZINC000183616633 822501914 /nfs/dbraw/zinc/50/19/14/822501914.db2.gz LDJXTRZQKPWGQN-RBUKOAKNSA-N 0 1 376.566 4.078 20 0 GIADMN CC1CCN([C@@H](CNC(=O)c2ccn(-c3ccccc3)n2)c2cccs2)CC1 ZINC000046672966 822502288 /nfs/dbraw/zinc/50/22/88/822502288.db2.gz SGQGGTFFASQDPB-FQEVSTJZSA-N 0 1 394.544 4.137 20 0 GIADMN COc1ccc(OC)c(NC(=O)C[C@@H](C)N[C@H](C)c2cccc(F)c2F)c1 ZINC000179559023 822503419 /nfs/dbraw/zinc/50/34/19/822503419.db2.gz NREBXCAGFKGYIX-CHWSQXEVSA-N 0 1 378.419 4.050 20 0 GIADMN COc1ccc(NC(=O)C[C@H](C)N[C@H](C)c2cccc(F)c2F)c(OC)c1 ZINC000179558517 822503447 /nfs/dbraw/zinc/50/34/47/822503447.db2.gz HRXLUWNAYWRQLQ-QWHCGFSZSA-N 0 1 378.419 4.050 20 0 GIADMN Cc1nc(C(F)(F)F)c(CN[C@H](C)c2ccc(N3CCOC3=O)cc2)s1 ZINC000183643041 822505448 /nfs/dbraw/zinc/50/54/48/822505448.db2.gz MSBHABYRFXABJC-SNVBAGLBSA-N 0 1 385.411 4.278 20 0 GIADMN CC[C@@H]1Oc2cc([C@@H](C)NCc3sc(C)nc3C(F)(F)F)ccc2NC1=O ZINC000183644588 822505700 /nfs/dbraw/zinc/50/57/00/822505700.db2.gz GHZFRYLMHGXYBW-RNCFNFMXSA-N 0 1 399.438 4.431 20 0 GIADMN CC(C)[C@H](Cc1ccc(F)cc1)NCc1nnc(C(=O)Nc2ccccc2)s1 ZINC000183652513 822506332 /nfs/dbraw/zinc/50/63/32/822506332.db2.gz VYLFWJJPQKMUQB-SFHVURJKSA-N 0 1 398.507 4.286 20 0 GIADMN C[C@H]1CCC[C@@H](OCc2cccc(NC(=O)NCc3n[nH]c(C4CC4)n3)c2)C1 ZINC000454615367 822506754 /nfs/dbraw/zinc/50/67/54/822506754.db2.gz JFSQGTXTOFNHEP-KBXCAEBGSA-N 0 1 383.496 4.099 20 0 GIADMN Cc1[nH]ncc1CCCNC(=O)N1CCC(F)(Cc2ccc(Cl)cc2)CC1 ZINC000454619218 822507528 /nfs/dbraw/zinc/50/75/28/822507528.db2.gz NGQHDYVIEJHDSX-UHFFFAOYSA-N 0 1 392.906 4.061 20 0 GIADMN C[C@@H](Cn1cc(Br)cn1)N[C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000179589917 822508236 /nfs/dbraw/zinc/50/82/36/822508236.db2.gz BBXLXTDEZHWGCN-IINYFYTJSA-N 0 1 394.210 4.457 20 0 GIADMN CCOc1ccccc1CN(CCCn1ccnc1)Cc1cccc2nccn21 ZINC000179594304 822509159 /nfs/dbraw/zinc/50/91/59/822509159.db2.gz OIOBHNVKTKWCBZ-UHFFFAOYSA-N 0 1 389.503 4.022 20 0 GIADMN C[C@@H](NCC(=O)N(C)[C@H](C)c1ccc(F)cc1)c1ccc(OC(F)F)cc1 ZINC000179602046 822510729 /nfs/dbraw/zinc/51/07/29/822510729.db2.gz OPSPDBRYWMTOEE-ZIAGYGMSSA-N 0 1 380.410 4.297 20 0 GIADMN C[C@H](Nc1ccccc1N1CCN(CCc2ccncc2)CC1)c1ccccn1 ZINC000179604373 822511113 /nfs/dbraw/zinc/51/11/13/822511113.db2.gz MNYJSADQLXTOLY-FQEVSTJZSA-N 0 1 387.531 4.014 20 0 GIADMN C[C@H](NCC(=O)Nc1nc(-c2ccco2)cs1)c1ccc(OC(F)F)cc1 ZINC000179609503 822512270 /nfs/dbraw/zinc/51/22/70/822512270.db2.gz WMEALXHHWKGEED-NSHDSACASA-N 0 1 393.415 4.294 20 0 GIADMN COc1cc(C)c([C@@H](C)NCc2cccc(C(=O)NCC(C)C)c2)cc1OC ZINC000179620323 822514209 /nfs/dbraw/zinc/51/42/09/822514209.db2.gz NFOBHLOKKPCCJY-QGZVFWFLSA-N 0 1 384.520 4.249 20 0 GIADMN Fc1ccc([C@@H](N[C@H]2CCN(c3c(F)cccc3F)C2)c2ccccc2)nc1 ZINC000183709027 822514913 /nfs/dbraw/zinc/51/49/13/822514913.db2.gz NFISRCSBLGJXHL-UWJYYQICSA-N 0 1 383.417 4.457 20 0 GIADMN CCOc1cc(CN(C)[C@H](C)c2ccncc2)cc(Br)c1OC ZINC000183709927 822515129 /nfs/dbraw/zinc/51/51/29/822515129.db2.gz OWWKXBFORKHALN-CYBMUJFWSA-N 0 1 379.298 4.444 20 0 GIADMN C[C@@H](c1ccncc1)N(C)Cc1cc(Br)c2c(c1)OCCCO2 ZINC000183712324 822515371 /nfs/dbraw/zinc/51/53/71/822515371.db2.gz FKZVGAZXNYPSBP-ZDUSSCGKSA-N 0 1 377.282 4.198 20 0 GIADMN COc1cc(C)c([C@H](C)NCC(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1OC ZINC000179627729 822515387 /nfs/dbraw/zinc/51/53/87/822515387.db2.gz 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CC(=O)Nc1cccc([C@@H](C)NCC(=O)N[C@H](C)c2ccc3ccccc3c2)c1 ZINC000182534687 822287811 /nfs/dbraw/zinc/28/78/11/822287811.db2.gz UXVPVTLLXDXEME-IAGOWNOFSA-N 0 1 389.499 4.326 20 0 GIADMN CN(Cc1cc(=O)n2nccc2[nH]1)[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000178068291 822308442 /nfs/dbraw/zinc/30/84/42/822308442.db2.gz HCLQTSOJPXYEJT-NRFANRHFSA-N 0 1 396.853 4.037 20 0 GIADMN C[C@H](NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1)c1ccc2ccccc2n1 ZINC000178085847 822313787 /nfs/dbraw/zinc/31/37/87/822313787.db2.gz UATREEKXQXOVAA-KSZLIROESA-N 0 1 376.504 4.094 20 0 GIADMN Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)N[C@@H](C)C(=O)NC1CCCC1 ZINC000178098320 822318584 /nfs/dbraw/zinc/31/85/84/822318584.db2.gz BPRBEJCWBJVWSK-JSGCOSHPSA-N 0 1 375.513 4.356 20 0 GIADMN COc1ccc([C@H](C)NCc2ccc(C(=O)OC(C)(C)C)cc2)cc1NC(C)=O ZINC000178102900 822320547 /nfs/dbraw/zinc/32/05/47/822320547.db2.gz FECLZROBODDANY-HNNXBMFYSA-N 0 1 398.503 4.460 20 0 GIADMN C[C@@H](N[C@@H](C)c1cc2ccccc2o1)C(=O)N[C@H](C)c1ccc2c(c1)OCCO2 ZINC000182629101 822329900 /nfs/dbraw/zinc/32/99/00/822329900.db2.gz VONZYKALJOZLRR-OWCLPIDISA-N 0 1 394.471 4.121 20 0 GIADMN COCCOc1ccc([C@@H](C)N[C@H](C)c2cc(F)ccc2OC)cc1OC ZINC000178150180 822334133 /nfs/dbraw/zinc/33/41/33/822334133.db2.gz PNZUNSYVVUGHJZ-HUUCEWRRSA-N 0 1 377.456 4.280 20 0 GIADMN CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)Cc1ccc(CO)cc1 ZINC000182639183 822334278 /nfs/dbraw/zinc/33/42/78/822334278.db2.gz RBYSUJIEZWKTAG-UHFFFAOYSA-N 0 1 381.303 4.336 20 0 GIADMN C[C@H](NCC(=O)Nc1ccccc1Br)c1cccc(OC(F)F)c1 ZINC000178167907 822339037 /nfs/dbraw/zinc/33/90/37/822339037.db2.gz BQLUYEYHBULCEK-NSHDSACASA-N 0 1 399.235 4.340 20 0 GIADMN Cc1ccc(CNCc2ccc(Br)cc2N2CCOCC2)cc1F ZINC000178170363 822340303 /nfs/dbraw/zinc/34/03/03/822340303.db2.gz QJHMLYQAHQMXDN-UHFFFAOYSA-N 0 1 393.300 4.023 20 0 GIADMN C[C@H](NCC(=O)Nc1ccc(F)c(F)c1F)c1ccc(Br)s1 ZINC000178201287 822350906 /nfs/dbraw/zinc/35/09/06/822350906.db2.gz ATVMKJFJIJLXMY-ZETCQYMHSA-N 0 1 393.228 4.217 20 0 GIADMN O=C(CN[C@@H]1CC2(CCCC2)Oc2ccccc21)Nc1ccc(F)c(F)c1F ZINC000178203704 822351426 /nfs/dbraw/zinc/35/14/26/822351426.db2.gz DMHSZISWKZWXQC-MRXNPFEDSA-N 0 1 390.405 4.469 20 0 GIADMN COc1cc2c(cc1OC)CN(Cc1ccccc1NCc1cc[nH]c1)CC2 ZINC000178204535 822351880 /nfs/dbraw/zinc/35/18/80/822351880.db2.gz ZDAXRIQHQMDNKP-UHFFFAOYSA-N 0 1 377.488 4.202 20 0 GIADMN COCc1cccc(CNc2cccc(NC(=O)CN3CCCCCC3)c2)c1 ZINC000178211686 822353708 /nfs/dbraw/zinc/35/37/08/822353708.db2.gz VLGSMCBEHCYCIU-UHFFFAOYSA-N 0 1 381.520 4.260 20 0 GIADMN COc1cc([C@H](C)N[C@H](C)c2cn(C)nc2C)ccc1OCc1ccncc1 ZINC000178214131 822354273 /nfs/dbraw/zinc/35/42/73/822354273.db2.gz BDZIFKBXPUUVPW-JKSUJKDBSA-N 0 1 380.492 4.123 20 0 GIADMN CC[C@@H](N[C@@H](C)C(=O)Nc1cccnc1C)c1cc(F)cc(Br)c1 ZINC000453423344 822360787 /nfs/dbraw/zinc/36/07/87/822360787.db2.gz FXTXUELDEFNTMV-BLLLJJGKSA-N 0 1 394.288 4.360 20 0 GIADMN CC[C@H](N[C@@H](C)C(=O)Nc1cccnc1C)c1cc(F)cc(Br)c1 ZINC000453423350 822360890 /nfs/dbraw/zinc/36/08/90/822360890.db2.gz FXTXUELDEFNTMV-LRDDRELGSA-N 0 1 394.288 4.360 20 0 GIADMN Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)N[C@@H](C)c1nnc[nH]1 ZINC000182743583 822360976 /nfs/dbraw/zinc/36/09/76/822360976.db2.gz MNRFILWWKGLKCS-QWRGUYRKSA-N 0 1 390.900 4.011 20 0 GIADMN CCCCOCCOCc1cccc(NS(=O)(=O)c2cc(C)oc2C)c1 ZINC000182789095 822367514 /nfs/dbraw/zinc/36/75/14/822367514.db2.gz QKOREOPXNNZHKC-UHFFFAOYSA-N 0 1 381.494 4.031 20 0 GIADMN Cc1nc(-c2ccccc2)sc1[C@H](C)N[C@@H](C)C(=O)Nc1cccnc1C ZINC000453457488 822367631 /nfs/dbraw/zinc/36/76/31/822367631.db2.gz VNTDTJJTILEHML-HOCLYGCPSA-N 0 1 380.517 4.500 20 0 GIADMN Cc1cc(S(=O)(=O)Nc2ccc(N3CCc4sccc4C3)cc2)c(C)o1 ZINC000182790444 822367826 /nfs/dbraw/zinc/36/78/26/822367826.db2.gz KHLYSZDDPVKCAT-UHFFFAOYSA-N 0 1 388.514 4.321 20 0 GIADMN C[C@@H](N[C@@H](C)c1nnnn1-c1ccccc1)[C@@H](C)c1nc2ccccc2s1 ZINC000178341286 822369010 /nfs/dbraw/zinc/36/90/10/822369010.db2.gz VFVPNGAOUBZVRU-KFWWJZLASA-N 0 1 378.505 4.115 20 0 GIADMN COc1ccc(Br)cc1-c1nc(CN(C)C[C@@H]2CCOC2)cs1 ZINC000178345086 822369542 /nfs/dbraw/zinc/36/95/42/822369542.db2.gz YHZKKVUGNZYLCO-LBPRGKRZSA-N 0 1 397.338 4.050 20 0 GIADMN CC(C)c1ccc([C@H](CN[C@H](C)c2nccn2C)NC(=O)OC(C)(C)C)cc1 ZINC000182811185 822371416 /nfs/dbraw/zinc/37/14/16/822371416.db2.gz WDUSMWOAPLCYMP-APWZRJJASA-N 0 1 386.540 4.460 20 0 GIADMN CCOc1cc2c(cc1CN[C@@H](C)c1ccc3c(c1)CCC(=O)N3)O[C@H](C)C2 ZINC000178394418 822375055 /nfs/dbraw/zinc/37/50/55/822375055.db2.gz SWEKBEVCEAHHGD-CABCVRRESA-N 0 1 380.488 4.144 20 0 GIADMN Fc1cc2cccnc2c(CN2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)c1 ZINC000182842174 822376859 /nfs/dbraw/zinc/37/68/59/822376859.db2.gz AATLKNKXJOIMME-MRXNPFEDSA-N 0 1 378.373 4.426 20 0 GIADMN COc1cc(CN2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)ccc1SC ZINC000182845238 822377410 /nfs/dbraw/zinc/37/74/10/822377410.db2.gz QBBDDSAWVUXFIU-CQSZACIVSA-N 0 1 385.455 4.470 20 0 GIADMN C[C@@H](NCc1ccccc1OCC(F)(F)F)c1ccc(N2CCOC2=O)cc1 ZINC000178436245 822378959 /nfs/dbraw/zinc/37/89/59/822378959.db2.gz JPPMPFOCIGIQDI-CQSZACIVSA-N 0 1 394.393 4.435 20 0 GIADMN CC[C@H](NC(=O)NC1CCN(Cc2ccccn2)CC1)c1ccc(Cl)cc1 ZINC000045404814 822385001 /nfs/dbraw/zinc/38/50/01/822385001.db2.gz DNJXMPCCXCRWCU-FQEVSTJZSA-N 0 1 386.927 4.150 20 0 GIADMN Cc1nn2c(CN[C@@H](c3cccs3)C(C)(C)CO)c(C(C)C)nc2s1 ZINC000453571227 822385876 /nfs/dbraw/zinc/38/58/76/822385876.db2.gz BOBZQYQOSOMCSP-INIZCTEOSA-N 0 1 378.567 4.134 20 0 GIADMN CC(C)c1nnc2n1C[C@H](Nc1ccnc3cc(C(F)(F)F)ccc31)CC2 ZINC000178518406 822387202 /nfs/dbraw/zinc/38/72/02/822387202.db2.gz ZAXQJVXLVMLLRG-CYBMUJFWSA-N 0 1 375.398 4.395 20 0 GIADMN COc1cc(Br)ccc1CN[C@@H](c1cccs1)C(C)(C)CO ZINC000453577490 822387143 /nfs/dbraw/zinc/38/71/43/822387143.db2.gz OSKAAEPIJBGQRC-INIZCTEOSA-N 0 1 384.339 4.369 20 0 GIADMN Cc1cc(Br)c(CN2CCC(c3nnc4n3CCCC4)CC2)s1 ZINC000453576618 822387172 /nfs/dbraw/zinc/38/71/72/822387172.db2.gz WIWNKBXSKCGGRK-UHFFFAOYSA-N 0 1 395.370 4.126 20 0 GIADMN CC(=O)N(c1nc(CNC[C@H]2CCOC(C)(C)C2)cs1)c1ccc(F)cc1 ZINC000453585789 822388821 /nfs/dbraw/zinc/38/88/21/822388821.db2.gz UDFKQUARJHNFFX-HNNXBMFYSA-N 0 1 391.512 4.262 20 0 GIADMN Cc1cc(Br)c(CN(C)C2CCN(CC(F)(F)F)CC2)s1 ZINC000453598950 822391053 /nfs/dbraw/zinc/39/10/53/822391053.db2.gz OXLTVDXMPYRXBM-UHFFFAOYSA-N 0 1 385.293 4.278 20 0 GIADMN OCc1ccc(CN[C@@H]2CCSc3ccc(Br)cc32)cc1F ZINC000178564353 822392248 /nfs/dbraw/zinc/39/22/48/822392248.db2.gz RCACHSPHOKZADQ-MRXNPFEDSA-N 0 1 382.298 4.407 20 0 GIADMN C[C@@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)Nc1ccc2cnccc2c1 ZINC000453616342 822393701 /nfs/dbraw/zinc/39/37/01/822393701.db2.gz NRTHYFYTAQFQJB-HNNXBMFYSA-N 0 1 388.471 4.413 20 0 GIADMN Cc1[nH]ncc1CCCNC(=O)N[C@@H](C)C(c1ccccc1)c1ccccc1 ZINC000045539458 822394630 /nfs/dbraw/zinc/39/46/30/822394630.db2.gz IXZLLNDKKJUFQB-SFHVURJKSA-N 0 1 376.504 4.171 20 0 GIADMN CC[C@@H](C)N(CCc1cccnc1)CC(=O)Nc1ccccc1C(F)(F)F ZINC000178595112 822394948 /nfs/dbraw/zinc/39/49/48/822394948.db2.gz CZESLANYZQOEKO-OAHLLOKOSA-N 0 1 379.426 4.382 20 0 GIADMN O=C(Nc1cccc(CN[C@H]2CCSc3c(F)cccc32)c1)[C@@H]1CCCO1 ZINC000178614996 822396255 /nfs/dbraw/zinc/39/62/55/822396255.db2.gz XCAWUBYLURIGJS-OALUTQOASA-N 0 1 386.492 4.270 20 0 GIADMN CCOC[C@H](C)Nc1ccccc1CN1CCc2cc(OC)c(OC)cc2C1 ZINC000182968839 822401460 /nfs/dbraw/zinc/40/14/60/822401460.db2.gz VLGMRVJKGFVHAP-KRWDZBQOSA-N 0 1 384.520 4.099 20 0 GIADMN C[C@H](c1ccncc1)N1CCC(NC(=O)c2cc3ccccc3c(Cl)n2)CC1 ZINC000178672833 822401576 /nfs/dbraw/zinc/40/15/76/822401576.db2.gz PVBKKYDGOZATJH-OAHLLOKOSA-N 0 1 394.906 4.239 20 0 GIADMN Cc1nn(C)cc1[C@@H](C)N[C@@H](C)c1ccc(OC(F)F)cc1OC(F)F ZINC000178722070 822405472 /nfs/dbraw/zinc/40/54/72/822405472.db2.gz PQFRQIHINMGDOK-VHSXEESVSA-N 0 1 375.366 4.343 20 0 GIADMN CCC[C@H](NC(=O)NC1CCN([C@H](C)c2ccncc2)CC1)c1ccccc1 ZINC000178765450 822408079 /nfs/dbraw/zinc/40/80/79/822408079.db2.gz JOZMEKKISONCBU-GCJKJVERSA-N 0 1 380.536 4.448 20 0 GIADMN C[C@@H](Nc1cccc(CN2CCC[C@@H]2C(N)=O)c1)c1ccc(F)c(Cl)c1 ZINC000183005467 822409564 /nfs/dbraw/zinc/40/95/64/822409564.db2.gz UDEVYJNIRFKOIA-BFUOFWGJSA-N 0 1 375.875 4.102 20 0 GIADMN CC(C)Sc1ccccc1C(=O)N1CCC(CCCN2CCOCC2)CC1 ZINC000183038577 822415822 /nfs/dbraw/zinc/41/58/22/822415822.db2.gz YLTAAGCBIZKHQH-UHFFFAOYSA-N 0 1 390.593 4.152 20 0 GIADMN O=C(Nc1ccc2nc(-c3ccccn3)[nH]c2c1)c1csc([C@@H]2CCCO2)n1 ZINC000178907578 822420839 /nfs/dbraw/zinc/42/08/39/822420839.db2.gz CTAPAOXMSLMENH-KRWDZBQOSA-N 0 1 391.456 4.185 20 0 GIADMN C[S@@](=O)C[C@@H](NCc1c(-c2ccccc2)nc2ccccn21)c1ccccc1 ZINC000183085076 822422901 /nfs/dbraw/zinc/42/29/01/822422901.db2.gz ZOZUJHYWZZKJMQ-PIIWDFAUSA-N 0 1 389.524 4.211 20 0 GIADMN C[C@@H](c1ccncc1)N1CCC(NC(=O)Nc2ccc(OCC3CC3)cc2)CC1 ZINC000179030696 822431612 /nfs/dbraw/zinc/43/16/12/822431612.db2.gz YADPPWHJEPOWSU-KRWDZBQOSA-N 0 1 394.519 4.218 20 0 GIADMN COc1cccc(-c2nn(C(C)(C)C)cc2CNCc2cccc(N(C)C)n2)c1 ZINC000179033832 822431811 /nfs/dbraw/zinc/43/18/11/822431811.db2.gz VQRVNAISOOTVRE-UHFFFAOYSA-N 0 1 393.535 4.065 20 0 GIADMN CN(C)c1cccc(CNCc2cn(Cc3ccccc3)nc2-c2ccccc2)n1 ZINC000179034208 822431815 /nfs/dbraw/zinc/43/18/15/822431815.db2.gz RKGDUYYYTDKRPW-UHFFFAOYSA-N 0 1 397.526 4.349 20 0 GIADMN Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)Nc1cc(CN(C)C)ccn1 ZINC000183155863 822432809 /nfs/dbraw/zinc/43/28/09/822432809.db2.gz LPRYKZOJCLGRBT-UHFFFAOYSA-N 0 1 388.443 4.106 20 0 GIADMN CSc1cccc(NC(=O)N(C)C2CCN(CCC(F)(F)F)CC2)c1 ZINC000454160584 822434208 /nfs/dbraw/zinc/43/42/08/822434208.db2.gz WHECFFUFDZTLIS-UHFFFAOYSA-N 0 1 375.460 4.289 20 0 GIADMN C[C@@H](NCc1cn2cc(Cl)ccc2n1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000179090437 822436946 /nfs/dbraw/zinc/43/69/46/822436946.db2.gz VOVPPWGSBXDNHD-OPAMFIHVSA-N 0 1 399.922 4.403 20 0 GIADMN O=C(CN[C@H]1CCCOc2cc3c(cc21)CCC3)Nc1ccc(F)c(F)c1F ZINC000179099210 822437887 /nfs/dbraw/zinc/43/78/87/822437887.db2.gz KEIVIHCGTAPCGE-INIZCTEOSA-N 0 1 390.405 4.035 20 0 GIADMN CCCOc1ccc(C(F)(F)F)cc1NC(=O)NCc1n[nH]c(C(C)C)n1 ZINC000454207964 822438901 /nfs/dbraw/zinc/43/89/01/822438901.db2.gz 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CC[C@H](NCC(=O)Nc1c(C)cc(C)cc1Cl)c1ccc2c(c1)OCCO2 ZINC000180647573 821381470 /nfs/dbraw/zinc/38/14/70/821381470.db2.gz YSTAXJLZVJFUBO-KRWDZBQOSA-N 0 1 388.895 4.407 20 0 GIADMN COc1cccc([C@H](CNC(=O)N(C)[C@H]2CCc3ccccc32)N2CCCC2)c1 ZINC000043306934 821389265 /nfs/dbraw/zinc/38/92/65/821389265.db2.gz AFHQYOINOBRZAE-GOTSBHOMSA-N 0 1 393.531 4.161 20 0 GIADMN COC(=O)CC[C@H](N[C@H](C)c1cccc(N2CCCC2=O)c1)c1ccccc1 ZINC000180670825 821389810 /nfs/dbraw/zinc/38/98/10/821389810.db2.gz AQFPIAQWTSQHHW-UTKZUKDTSA-N 0 1 380.488 4.159 20 0 GIADMN COc1ccccc1[C@H](CNC(=O)Nc1ccccc1SC)N1CCCC1 ZINC000043319367 821392182 /nfs/dbraw/zinc/39/21/82/821392182.db2.gz DLSUTPCGVYFGNP-SFHVURJKSA-N 0 1 385.533 4.376 20 0 GIADMN Cc1ccc(F)c(NC(=O)NCc2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)c1 ZINC000043350736 821396656 /nfs/dbraw/zinc/39/66/56/821396656.db2.gz MNFRVLHRQDVVSH-IRXDYDNUSA-N 0 1 385.483 4.065 20 0 GIADMN COc1ccccc1[C@H](N[C@H](C)c1ccc(-n2cnnn2)cc1)c1ccccc1 ZINC000180693589 821398927 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CCN1CCN(c2ccccc2NC(=O)N[C@@H](C)c2cc(C)sc2C)CC1 ZINC000043574560 821429088 /nfs/dbraw/zinc/42/90/88/821429088.db2.gz RDJGTTBOUSLCQG-INIZCTEOSA-N 0 1 386.565 4.390 20 0 GIADMN c1cc(Oc2ccccc2)oc1CNCc1ccccc1CN1CCOCC1 ZINC000180772814 821447362 /nfs/dbraw/zinc/44/73/62/821447362.db2.gz TYSSDJHDGXGUAY-UHFFFAOYSA-N 0 1 378.472 4.194 20 0 GIADMN Cc1cc([C@H](NC[C@]2(CCO)CCOC2)c2ccccc2Cl)ccc1F ZINC000180775863 821449766 /nfs/dbraw/zinc/44/97/66/821449766.db2.gz JURUWPMCYLQPAY-SFTDATJTSA-N 0 1 377.887 4.256 20 0 GIADMN CN(C)[C@@H](CNC(=O)c1ccccc1NC(=O)c1ccccc1)c1ccsc1 ZINC000043750016 821452487 /nfs/dbraw/zinc/45/24/87/821452487.db2.gz OTYISMNSZYUMQH-FQEVSTJZSA-N 0 1 393.512 4.033 20 0 GIADMN CC(C)c1ccc(CN(C)C(=O)Nc2ccccc2N2CCN(C)CC2)cc1 ZINC000043799559 821460015 /nfs/dbraw/zinc/46/00/15/821460015.db2.gz JQTVTBXHDDSHTC-UHFFFAOYSA-N 0 1 380.536 4.226 20 0 GIADMN CC[C@H]1c2ccsc2CCN1C(=O)Nc1ccccc1N1CCN(C)CC1 ZINC000043799097 821460083 /nfs/dbraw/zinc/46/00/83/821460083.db2.gz XIXZKOMMJCCGPV-SFHVURJKSA-N 0 1 384.549 4.041 20 0 GIADMN O=C(COc1ccccc1C(F)(F)F)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000043802299 821460790 /nfs/dbraw/zinc/46/07/90/821460790.db2.gz KEQJVACRPXFBJZ-INIZCTEOSA-N 0 1 396.409 4.021 20 0 GIADMN Cc1nc(-c2ccccc2F)sc1[C@@H](C)NCCS(=O)(=O)C(C)(C)C ZINC000180806425 821468814 /nfs/dbraw/zinc/46/88/14/821468814.db2.gz SFOMITLDRUGGQH-GFCCVEGCSA-N 0 1 384.542 4.122 20 0 GIADMN C[C@H](NC(=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1)c1nnc[nH]1 ZINC000180815809 821476433 /nfs/dbraw/zinc/47/64/33/821476433.db2.gz PZAMOELFDMDLKS-QMMMGPOBSA-N 0 1 397.291 4.042 20 0 GIADMN O=C(Nc1ccccc1OC(F)(F)F)N1CCCN(Cc2ccccc2)CC1 ZINC000043879275 821483202 /nfs/dbraw/zinc/48/32/02/821483202.db2.gz LKOJDLINHBMSCD-UHFFFAOYSA-N 0 1 393.409 4.325 20 0 GIADMN Cc1noc(CCN[C@H](c2ccc(Br)cc2)c2ccccc2F)n1 ZINC000180842346 821490039 /nfs/dbraw/zinc/49/00/39/821490039.db2.gz GJHPKYSSDYEQNM-GOSISDBHSA-N 0 1 390.256 4.201 20 0 GIADMN O=C(NC[C@@H](c1ccco1)N1CCCC1)Nc1ccccc1OCC(F)(F)F ZINC000043959390 821495726 /nfs/dbraw/zinc/49/57/26/821495726.db2.gz HJNNHDZFGWWYKA-HNNXBMFYSA-N 0 1 397.397 4.179 20 0 GIADMN COc1cc(NC(=O)CNC(C)(C)c2ccc(F)c(F)c2)c(OC)cc1Cl ZINC000180865418 821501553 /nfs/dbraw/zinc/50/15/53/821501553.db2.gz PSKSWRDLWLBXPV-UHFFFAOYSA-N 0 1 398.837 4.099 20 0 GIADMN Cc1ccc(-c2nnc([C@@H](C)N3CCC[C@H](c4nncn4C4CC4)C3)o2)cc1C ZINC000180874000 821506359 /nfs/dbraw/zinc/50/63/59/821506359.db2.gz XEVKJLKHQPRBHW-AEFFLSMTSA-N 0 1 392.507 4.220 20 0 GIADMN CC(C)CC(=O)Nc1ccc(NC(=O)NC[C@H](c2ccco2)N2CCCC2)cc1 ZINC000044031633 821507869 /nfs/dbraw/zinc/50/78/69/821507869.db2.gz QTYFZYFZCKKCEY-LJQANCHMSA-N 0 1 398.507 4.223 20 0 GIADMN C[C@H](NCC(=O)NCc1cccc(Cl)c1)c1ccc(-c2ccncc2)cc1 ZINC000180889402 821516347 /nfs/dbraw/zinc/51/63/47/821516347.db2.gz NVXHXRIGCWDREU-INIZCTEOSA-N 0 1 379.891 4.369 20 0 GIADMN C[C@@H](NCC(=O)NCc1cccc(Cl)c1)c1ccc(-c2ccncc2)cc1 ZINC000180889422 821517030 /nfs/dbraw/zinc/51/70/30/821517030.db2.gz NVXHXRIGCWDREU-MRXNPFEDSA-N 0 1 379.891 4.369 20 0 GIADMN CC(C)[C@H](NC1CCC(NC(=O)OC(C)(C)C)CC1)c1nc(C2CC2)no1 ZINC000180897073 821522509 /nfs/dbraw/zinc/52/25/09/821522509.db2.gz HIDCPBYIPMIJBG-GPANFISMSA-N 0 1 378.517 4.070 20 0 GIADMN CCOc1ccc(Cl)cc1[C@@H](C)NCc1cccc(OCC(=O)OC)c1 ZINC000180910282 821531862 /nfs/dbraw/zinc/53/18/62/821531862.db2.gz SWFSJJQBSPUEHB-CQSZACIVSA-N 0 1 377.868 4.141 20 0 GIADMN Cc1cc(NC(=O)CN[C@@H](C)c2ccc(-c3ccncc3)cc2)n(C(C)(C)C)n1 ZINC000180921680 821539206 /nfs/dbraw/zinc/53/92/06/821539206.db2.gz SLNGRIGKIVFUBY-KRWDZBQOSA-N 0 1 391.519 4.298 20 0 GIADMN S=C(Nc1ccc2ccccc2c1)NC1CCN(Cc2ccccn2)CC1 ZINC000044221984 821549597 /nfs/dbraw/zinc/54/95/97/821549597.db2.gz BNIBINSUIMNWGL-UHFFFAOYSA-N 0 1 376.529 4.186 20 0 GIADMN Cn1cc([C@@H](NCCOc2ncc(Cl)cc2Cl)c2cccc(F)c2)cn1 ZINC000180946132 821551206 /nfs/dbraw/zinc/55/12/06/821551206.db2.gz YAUYWXGDKJGDKY-KRWDZBQOSA-N 0 1 395.265 4.019 20 0 GIADMN CCc1nc2ccccc2n1C1CCN([C@@H](C(=O)N(C)C)c2ccccc2)CC1 ZINC000180963207 821559028 /nfs/dbraw/zinc/55/90/28/821559028.db2.gz DNMFDZVBKJZJNZ-HSZRJFAPSA-N 0 1 390.531 4.065 20 0 GIADMN CNS(=O)(=O)c1cccc([C@@H](C)N[C@H](C)c2cc3cc(Cl)ccc3o2)c1 ZINC000180978778 821570126 /nfs/dbraw/zinc/57/01/26/821570126.db2.gz ACWTVEBWYJTFPI-CHWSQXEVSA-N 0 1 392.908 4.406 20 0 GIADMN CCn1c2ccccc2nc1[C@@H](C)N[C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000180994660 821581621 /nfs/dbraw/zinc/58/16/21/821581621.db2.gz UEDKJICCGFXCTH-JKSUJKDBSA-N 0 1 378.476 4.425 20 0 GIADMN CCn1c2ccccc2nc1[C@@H](C)N[C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000180994699 821581769 /nfs/dbraw/zinc/58/17/69/821581769.db2.gz UEDKJICCGFXCTH-HZPDHXFCSA-N 0 1 378.476 4.425 20 0 GIADMN Cn1cnc(-c2cccc(NC3CCN(Cc4ccccc4Cl)CC3)c2)n1 ZINC000181045869 821609066 /nfs/dbraw/zinc/60/90/66/821609066.db2.gz MOTFYJXTYKHBNX-UHFFFAOYSA-N 0 1 381.911 4.212 20 0 GIADMN COc1ccccc1OCCN(C)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000181100576 821632972 /nfs/dbraw/zinc/63/29/72/821632972.db2.gz BSXAPKJSXTWZFD-UHFFFAOYSA-N 0 1 390.390 4.052 20 0 GIADMN O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)N1CCO[C@]2(CCc3ccccc32)C1 ZINC000181113610 821640642 /nfs/dbraw/zinc/64/06/42/821640642.db2.gz VIMHSBPOTTYYDW-OAQYLSRUSA-N 0 1 398.413 4.206 20 0 GIADMN FC(F)(F)c1ccn(C2CCN(Cc3cc(-c4ccccc4)n[nH]3)CC2)n1 ZINC000181119434 821644921 /nfs/dbraw/zinc/64/49/21/821644921.db2.gz LFQCLIXSSKSACL-UHFFFAOYSA-N 0 1 375.398 4.129 20 0 GIADMN Cc1ccc(S(=O)(=O)Nc2cccc(OC[C@@H]3CCCO3)c2)c(Cl)c1 ZINC000044857899 821673446 /nfs/dbraw/zinc/67/34/46/821673446.db2.gz BKSDMUCJIHMKSO-INIZCTEOSA-N 0 1 381.881 4.007 20 0 GIADMN COc1ccc2oc(C)c(C(=O)NC[C@@H](c3cccs3)N3CCCC3)c2c1 ZINC000044875275 821675485 /nfs/dbraw/zinc/67/54/85/821675485.db2.gz CDSKIUBQHRASIS-KRWDZBQOSA-N 0 1 384.501 4.378 20 0 GIADMN O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCCC[C@H]1c1nnc[nH]1 ZINC000181169751 821676360 /nfs/dbraw/zinc/67/63/60/821676360.db2.gz ZFAZKUKWZLQCGV-LBPRGKRZSA-N 0 1 392.303 4.210 20 0 GIADMN Cc1nc(-c2cccnc2)sc1[C@H](C)N[C@@H]1C[C@H](C)N(c2ccccc2)C1=O ZINC000181171889 821677100 /nfs/dbraw/zinc/67/71/00/821677100.db2.gz AHVPKTBJCFLNDW-YZVOILCLSA-N 0 1 392.528 4.358 20 0 GIADMN Cc1cc2ncc([C@@H](C)NCc3ccc(OCC(F)(F)F)cc3)c(C)n2n1 ZINC000181192636 821688271 /nfs/dbraw/zinc/68/82/71/821688271.db2.gz DMFCZTNXDMQPAS-CYBMUJFWSA-N 0 1 378.398 4.138 20 0 GIADMN O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)C(F)(F)c1ccccc1 ZINC000045007151 821689571 /nfs/dbraw/zinc/68/95/71/821689571.db2.gz NHIIIUGGUCGGMQ-UHFFFAOYSA-N 0 1 378.850 4.213 20 0 GIADMN CC[C@H](NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1)c1cc(C)ccc1OC ZINC000181202692 821694180 /nfs/dbraw/zinc/69/41/80/821694180.db2.gz BLEUXXLBOYGMHJ-OPYAIIAOSA-N 0 1 383.536 4.253 20 0 GIADMN C[C@H](NC[C@@H](c1c(F)cccc1Cl)N1CCO[C@H](C)C1)c1nccs1 ZINC000181202870 821694702 /nfs/dbraw/zinc/69/47/02/821694702.db2.gz HYUKHPVUDXESHF-WWGRRREGSA-N 0 1 383.920 4.048 20 0 GIADMN COC(=O)c1oc([C@H](C)N2CCC(OCc3ccc(F)cc3)CC2)cc1C ZINC000181204725 821695500 /nfs/dbraw/zinc/69/55/00/821695500.db2.gz HNDCGUQPMSIDFW-HNNXBMFYSA-N 0 1 375.440 4.256 20 0 GIADMN C[S@@](=O)c1ccc(CN[C@@H]2CCCOc3cc(Br)ccc32)cc1 ZINC000181246014 821716459 /nfs/dbraw/zinc/71/64/59/821716459.db2.gz FFKKRVOJLPEKHV-UZUQRXQVSA-N 0 1 394.334 4.190 20 0 GIADMN Cc1c([C@@H](C)NCc2ccc([S@](C)=O)cc2)cnn1-c1cc(C)ccc1C ZINC000181248419 821717580 /nfs/dbraw/zinc/71/75/80/821717580.db2.gz DHWWDBDUTKVLOX-CRYYWNKWSA-N 0 1 381.545 4.386 20 0 GIADMN Cc1c([C@H](C)NCc2ccc([S@@](C)=O)cc2)cnn1-c1cc(C)ccc1C ZINC000181248477 821717612 /nfs/dbraw/zinc/71/76/12/821717612.db2.gz DHWWDBDUTKVLOX-CBZJRKILSA-N 0 1 381.545 4.386 20 0 GIADMN COc1c(Br)cccc1CN[C@@H](C)c1ccccc1-n1cccn1 ZINC000181261547 821722965 /nfs/dbraw/zinc/72/29/65/821722965.db2.gz SZTWGFLZKKACGY-AWEZNQCLSA-N 0 1 386.293 4.494 20 0 GIADMN CC(C)c1ccccc1NC(=O)CN[C@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000181272315 821726846 /nfs/dbraw/zinc/72/68/46/821726846.db2.gz OFDAQJUNGSDHTP-MRXNPFEDSA-N 0 1 381.476 4.056 20 0 GIADMN C[C@H](NCc1n[nH]c(-c2ccc(Br)cc2)n1)c1cc(F)ccc1F ZINC000181277341 821730093 /nfs/dbraw/zinc/73/00/93/821730093.db2.gz 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Cc1ccc2nc([C@H]3CCCN(C(=O)c4ncccc4C(F)(F)F)C3)[nH]c2c1 ZINC000180642747 821379433 /nfs/dbraw/zinc/37/94/33/821379433.db2.gz QECJRXGKDHFQPE-ZDUSSCGKSA-N 0 1 388.393 4.305 20 0 GIADMN O=C(NC[C@H](c1ccco1)N1CCCC1)Nc1ccc(Br)cc1F ZINC000043260230 821382095 /nfs/dbraw/zinc/38/20/95/821382095.db2.gz CVFJQLMIXFWYMD-OAHLLOKOSA-N 0 1 396.260 4.140 20 0 GIADMN CC(C)(C)Oc1ccc(CNC(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)cn1 ZINC000180657450 821385296 /nfs/dbraw/zinc/38/52/96/821385296.db2.gz NCIZSNGVHWFNIO-UHFFFAOYSA-N 0 1 389.406 4.395 20 0 GIADMN C[C@H](N[C@@H](C)c1cccc(C(F)(F)F)c1)C(=O)Nc1ccc(N(C)C)cc1 ZINC000043302888 821387999 /nfs/dbraw/zinc/38/79/99/821387999.db2.gz WGEZIYGEMLJIHL-KBPBESRZSA-N 0 1 379.426 4.449 20 0 GIADMN COc1ccc(NC(=O)[C@H](NCCc2ccccn2)c2ccccc2)cc1Cl ZINC000043305260 821388626 /nfs/dbraw/zinc/38/86/26/821388626.db2.gz RQRUBAMERFOGAZ-OAQYLSRUSA-N 0 1 395.890 4.256 20 0 GIADMN CCN(Cc1ccncc1)C(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1 ZINC000043307303 821389903 /nfs/dbraw/zinc/38/99/03/821389903.db2.gz MUCUCHZHDLWAEA-FQEVSTJZSA-N 0 1 386.927 4.104 20 0 GIADMN COc1ccc(NC(=O)NC[C@@H](c2ccco2)N2CCCCC2)cc1Cl ZINC000043332297 821394381 /nfs/dbraw/zinc/39/43/81/821394381.db2.gz SMLSUFCULZMMPK-INIZCTEOSA-N 0 1 377.872 4.290 20 0 GIADMN C[C@@H](N[C@H](C)c1ccc(-n2cnnn2)cc1)c1nc(-c2ccccc2)cs1 ZINC000180685668 821394898 /nfs/dbraw/zinc/39/48/98/821394898.db2.gz QOHJJHMTGHSBQG-HUUCEWRRSA-N 0 1 376.489 4.198 20 0 GIADMN COc1ccc(CN2CCCN(C(=O)Nc3cc(Cl)ccc3C)CC2)cc1 ZINC000043357234 821397142 /nfs/dbraw/zinc/39/71/42/821397142.db2.gz MXPXTANYYIRPPE-UHFFFAOYSA-N 0 1 387.911 4.397 20 0 GIADMN COc1ccc([C@@H](C)N[C@@H]2CCOc3ccc(F)cc32)cc1Cn1cccn1 ZINC000180715856 821414142 /nfs/dbraw/zinc/41/41/42/821414142.db2.gz WVKOZXJNPHEMOO-FOIQADDNSA-N 0 1 381.451 4.254 20 0 GIADMN CCOc1cccc([C@H](C)NCC(=O)N[C@@H](c2ccc(OC)cc2)C2CC2)c1 ZINC000180715900 821414261 /nfs/dbraw/zinc/41/42/61/821414261.db2.gz YIKQHIQJSHTXSK-QMHKHESXSA-N 0 1 382.504 4.012 20 0 GIADMN C[C@@H](N[C@@H]1CCOc2ccc(F)cc21)c1ccc(OCc2nccn2C)cc1 ZINC000180717733 821415652 /nfs/dbraw/zinc/41/56/52/821415652.db2.gz SOEXYLDTKSFGCM-FOIQADDNSA-N 0 1 381.451 4.313 20 0 GIADMN CC[C@H]1c2ccsc2CCN1C(=O)Nc1ccc(N2CCN(C)CC2)cc1C ZINC000043489867 821415809 /nfs/dbraw/zinc/41/58/09/821415809.db2.gz QESCFBOBCAQRMM-FQEVSTJZSA-N 0 1 398.576 4.350 20 0 GIADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N1CCC[C@H]1c1ccc(F)cc1 ZINC000043490625 821415966 /nfs/dbraw/zinc/41/59/66/821415966.db2.gz HWQBUEQUVIUQSM-QFIPXVFZSA-N 0 1 396.510 4.255 20 0 GIADMN CCN(CC)Cc1ccc(C(=O)N(C)Cc2ccccc2OC(F)(F)F)o1 ZINC000043507310 821420135 /nfs/dbraw/zinc/42/01/35/821420135.db2.gz VVQOBCNQZFSRLF-UHFFFAOYSA-N 0 1 384.398 4.292 20 0 GIADMN CC(C)OCc1c2ccccc2oc1C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000043544909 821424165 /nfs/dbraw/zinc/42/41/65/821424165.db2.gz YSUDXPOGHNPHIF-LJQANCHMSA-N 0 1 392.499 4.362 20 0 GIADMN N#CCOc1ccc(NC(=O)NC[C@H](c2cccc(Cl)c2)N2CCCC2)cc1 ZINC000043558819 821427554 /nfs/dbraw/zinc/42/75/54/821427554.db2.gz JQGVWUFGMXSYCE-HXUWFJFHSA-N 0 1 398.894 4.201 20 0 GIADMN CCN1CCN(c2ccccc2NC(=O)N[C@H](C)c2cc(C)sc2C)CC1 ZINC000043574561 821429223 /nfs/dbraw/zinc/42/92/23/821429223.db2.gz RDJGTTBOUSLCQG-MRXNPFEDSA-N 0 1 386.565 4.390 20 0 GIADMN CCN1CCN(c2ccccc2NC(=O)N2CCC[C@H]2c2cccs2)CC1 ZINC000043586181 821429543 /nfs/dbraw/zinc/42/95/43/821429543.db2.gz UMLBMPSSAYNUEJ-IBGZPJMESA-N 0 1 384.549 4.259 20 0 GIADMN COc1cc(CN2CCC[C@@H]2CC(=O)c2ccc(F)cc2)cc(OC)c1OC ZINC000180765113 821441899 /nfs/dbraw/zinc/44/18/99/821441899.db2.gz AOUGRUNDZSIDHW-GOSISDBHSA-N 0 1 387.451 4.089 20 0 GIADMN Cc1ncc(CN2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)n1-c1ccccc1 ZINC000180803137 821466754 /nfs/dbraw/zinc/46/67/54/821466754.db2.gz KSTUXLXZZLUVBH-KRWDZBQOSA-N 0 1 389.425 4.233 20 0 GIADMN CC(C)[C@H](NC1CCC2(CC1)c1ccccc1NC2=O)c1nc(C2CC2)no1 ZINC000180854381 821496954 /nfs/dbraw/zinc/49/69/54/821496954.db2.gz BFDXFYNTXGKEIJ-TUAABQIMSA-N 0 1 380.492 4.066 20 0 GIADMN COc1ccc(NC(=O)CN[C@@H](C)c2ccc(-c3ccncc3)cc2)c(OC)c1 ZINC000180884764 821512406 /nfs/dbraw/zinc/51/24/06/821512406.db2.gz PMGTXBHZRBQESP-INIZCTEOSA-N 0 1 391.471 4.055 20 0 GIADMN N#Cc1ccccc1NC(=S)NNC(=O)c1sc2ccccc2c1Cl ZINC000044052692 821512682 /nfs/dbraw/zinc/51/26/82/821512682.db2.gz VNNUGAQUYZJYTA-UHFFFAOYSA-N 0 1 386.889 4.058 20 0 GIADMN C[C@H](NCc1cc(=O)n2cc(Cl)ccc2n1)c1ccc(-c2ccncc2)cc1 ZINC000180892223 821519334 /nfs/dbraw/zinc/51/93/34/821519334.db2.gz CGLGPNQYHPORMC-HNNXBMFYSA-N 0 1 390.874 4.261 20 0 GIADMN Cc1n[nH]c(C(C)C)c1C(=O)Nc1ccn(-c2cccc(C(F)(F)F)c2)n1 ZINC000180907510 821529078 /nfs/dbraw/zinc/52/90/78/821529078.db2.gz OYIZYABZGZMHDD-UHFFFAOYSA-N 0 1 377.370 4.298 20 0 GIADMN Cc1cccc(N2CCN(Cc3ccc(NC(=S)NC(C)C)cc3)CC2)c1 ZINC000044133645 821530338 /nfs/dbraw/zinc/53/03/38/821530338.db2.gz LTEYLRYSSNPTFB-UHFFFAOYSA-N 0 1 382.577 4.012 20 0 GIADMN COc1ccc(CN2CC[C@H](N[C@@H](C)c3ccc(SC)c(F)c3)C2=O)cc1 ZINC000180917457 821536883 /nfs/dbraw/zinc/53/68/83/821536883.db2.gz YEAPYDIPRBJOGJ-LIRRHRJNSA-N 0 1 388.508 4.008 20 0 GIADMN Cc1ccc(-c2cc(C(=O)N3CC=C(c4c[nH]c5ncccc45)CC3)n[nH]2)cc1 ZINC000044223300 821550083 /nfs/dbraw/zinc/55/00/83/821550083.db2.gz WMFSAWSQBLZRIH-UHFFFAOYSA-N 0 1 383.455 4.191 20 0 GIADMN C[C@H]([NH2+]Cc1cc(=O)oc2cc([O-])ccc12)c1ccc(OCC(F)(F)F)cc1 ZINC000180957465 821556256 /nfs/dbraw/zinc/55/62/56/821556256.db2.gz LZZUHTGBOQKFIQ-LBPRGKRZSA-N 0 1 393.361 4.291 20 0 GIADMN CCc1nc2ccccc2n1C1CCN(Cc2cc(F)cc3c2OCOC3)CC1 ZINC000180964363 821559646 /nfs/dbraw/zinc/55/96/46/821559646.db2.gz OVTAKUGPPDJHQB-UHFFFAOYSA-N 0 1 395.478 4.441 20 0 GIADMN O=C(NC[C@H](c1ccco1)N1CCCC1)Nc1cccc(OCC(F)(F)F)c1 ZINC000044310422 821567078 /nfs/dbraw/zinc/56/70/78/821567078.db2.gz CJNNULWPXPFOKC-MRXNPFEDSA-N 0 1 397.397 4.179 20 0 GIADMN CNS(=O)(=O)c1ccc([C@H](C)N[C@@H](C)c2cc3cc(Cl)ccc3o2)cc1 ZINC000180978855 821570074 /nfs/dbraw/zinc/57/00/74/821570074.db2.gz XXNUDYKKURRNEO-STQMWFEESA-N 0 1 392.908 4.406 20 0 GIADMN CCN1CCN(c2ccccc2NC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000044330688 821570703 /nfs/dbraw/zinc/57/07/03/821570703.db2.gz IVBTYDVZJSWMQK-JKSUJKDBSA-N 0 1 383.458 4.136 20 0 GIADMN COC(=O)c1ccc(CN[C@@H](c2ccccc2)c2ccc(OC)cc2)cc1OC ZINC000181008158 821589655 /nfs/dbraw/zinc/58/96/55/821589655.db2.gz IAVHGFPAPWHHBM-QHCPKHFHSA-N 0 1 391.467 4.370 20 0 GIADMN O=C(Cc1csc(-c2cccc(F)c2)n1)NC[C@@H](c1ccco1)N1CCCC1 ZINC000044517324 821598364 /nfs/dbraw/zinc/59/83/64/821598364.db2.gz KMKLYUIQFCWFJQ-SFHVURJKSA-N 0 1 399.491 4.038 20 0 GIADMN CNS(=O)(=O)c1ccc([C@@H](C)NC(c2cccs2)c2cccs2)cc1 ZINC000181050937 821611053 /nfs/dbraw/zinc/61/10/53/821611053.db2.gz SITNYUXMIJKQIX-CYBMUJFWSA-N 0 1 392.571 4.158 20 0 GIADMN Cc1nc(C)c(CN[C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)s1 ZINC000181060268 821614472 /nfs/dbraw/zinc/61/44/72/821614472.db2.gz JCQGAWPOVWWKCC-INIZCTEOSA-N 0 1 397.466 4.060 20 0 GIADMN C[C@H](CNC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1)Oc1ccc(F)cc1 ZINC000181092927 821629211 /nfs/dbraw/zinc/62/92/11/821629211.db2.gz BJLBJKXHLWQFKS-SNVBAGLBSA-N 0 1 378.354 4.229 20 0 GIADMN CCOc1ccc(CNC(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)cc1OC ZINC000181099617 821632099 /nfs/dbraw/zinc/63/20/99/821632099.db2.gz ZJBIBBUAYODUJP-UHFFFAOYSA-N 0 1 390.390 4.230 20 0 GIADMN C[C@H](NC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1)c1ccc2c(c1)CCC(=O)N2 ZINC000181105902 821635122 /nfs/dbraw/zinc/63/51/22/821635122.db2.gz ZDAGKLRERCICEF-JTQLQIEISA-N 0 1 399.401 4.268 20 0 GIADMN C[C@H](CNC(=O)Nc1ccc2[nH]c(C(F)F)nc2c1)N1CCc2ccccc2C1 ZINC000181114485 821641326 /nfs/dbraw/zinc/64/13/26/821641326.db2.gz ZTSKMQIMILFSRF-CYBMUJFWSA-N 0 1 399.445 4.069 20 0 GIADMN O=C(NCc1cccc(Cn2cccn2)c1)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000181115234 821641452 /nfs/dbraw/zinc/64/14/52/821641452.db2.gz OZZXJSVFNCYDGW-UHFFFAOYSA-N 0 1 396.401 4.067 20 0 GIADMN Cc1cccc(CN2CCN(C(=O)Nc3ccc4nc(C(F)F)[nH]c4c3)CC2)c1 ZINC000181123334 821647600 /nfs/dbraw/zinc/64/76/00/821647600.db2.gz ULPZWQPULPPTAG-UHFFFAOYSA-N 0 1 399.445 4.159 20 0 GIADMN N#Cc1ccc(CN2CCC[C@H]2C[C@H](O)c2ccco2)c(Br)c1 ZINC000181146935 821662741 /nfs/dbraw/zinc/66/27/41/821662741.db2.gz DEUJUBAPBMABRJ-RDJZCZTQSA-N 0 1 375.266 4.002 20 0 GIADMN Fc1cccc([C@@H](NC[C@H]2COC3(CCOCC3)O2)c2cccc(Cl)c2)c1 ZINC000181160324 821671606 /nfs/dbraw/zinc/67/16/06/821671606.db2.gz VZORVANHXUXBKY-PMACEKPBSA-N 0 1 391.870 4.080 20 0 GIADMN Fc1ccc(CN2CCCN(Cc3nc4ccccc4n3C(F)F)CC2)cc1 ZINC000045003231 821688237 /nfs/dbraw/zinc/68/82/37/821688237.db2.gz GDSHOKVVDNPKKN-UHFFFAOYSA-N 0 1 388.437 4.278 20 0 GIADMN Cc1ccc(CN2CCCN(C(=O)[C@@H]3CCC[C@H](C(F)(F)F)C3)CC2)cc1 ZINC000045014409 821691042 /nfs/dbraw/zinc/69/10/42/821691042.db2.gz QIQPPQMFZDQNTL-MOPGFXCFSA-N 0 1 382.470 4.398 20 0 GIADMN COc1c(Br)cccc1CN[C@H](C)c1ccc(-n2cccn2)cc1 ZINC000181261781 821722987 /nfs/dbraw/zinc/72/29/87/821722987.db2.gz NJYMSBLJXKCWLI-CQSZACIVSA-N 0 1 386.293 4.494 20 0 GIADMN CCC[C@H](NCc1n[nH]c(-c2ccc(Br)cc2)n1)c1ccccn1 ZINC000181276300 821728949 /nfs/dbraw/zinc/72/89/49/821728949.db2.gz RJVRWDSFEHSSCI-HNNXBMFYSA-N 0 1 386.297 4.260 20 0 GIADMN CCC[C@H](NCc1nc(-c2ccc(Br)cc2)n[nH]1)c1ccccn1 ZINC000181276300 821728957 /nfs/dbraw/zinc/72/89/57/821728957.db2.gz RJVRWDSFEHSSCI-HNNXBMFYSA-N 0 1 386.297 4.260 20 0 GIADMN CC(=O)c1ccc(NC(=O)N2CCC[C@@H](c3nnc(-c4ccccc4)[nH]3)C2)cc1 ZINC000181281645 821733090 /nfs/dbraw/zinc/73/30/90/821733090.db2.gz CKYRHFHWXOBAGI-GOSISDBHSA-N 0 1 389.459 4.086 20 0 GIADMN COc1cccc(CN(C)C(=O)CN[C@@H](C)c2ccc(-c3cccnc3)cc2)c1 ZINC000181287144 821735684 /nfs/dbraw/zinc/73/56/84/821735684.db2.gz ZLQUHYWVYCJZDD-SFHVURJKSA-N 0 1 389.499 4.066 20 0 GIADMN Cc1nc(CN2CCC[C@H](c3nc(-c4ccccc4)n[nH]3)C2)nc2ccccc12 ZINC000181300272 821743281 /nfs/dbraw/zinc/74/32/81/821743281.db2.gz ODSNWRKDJMBBSQ-SFHVURJKSA-N 0 1 384.487 4.103 20 0 GIADMN C[C@@H](NCC(=O)N(C)Cc1ccccc1F)c1ccc(-c2cccnc2)cc1 ZINC000181306028 821746402 /nfs/dbraw/zinc/74/64/02/821746402.db2.gz HNOOTJKHXDEVLK-QGZVFWFLSA-N 0 1 377.463 4.197 20 0 GIADMN COc1ccccc1CN(C)C(=O)CN[C@H](C)c1ccc(-c2cccnc2)cc1 ZINC000181313459 821752172 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C[C@H](N[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1)c1noc(-c2ccccc2)n1 ZINC000183562789 822495019 /nfs/dbraw/zinc/49/50/19/822495019.db2.gz CCIRVRYTHQFHBL-DOTOQJQBSA-N 0 1 386.496 4.177 20 0 GIADMN C[C@@H](Cn1ncc2ccccc2c1=O)N[C@@H](C)c1cc(Cl)ccc1Cl ZINC000179517379 822495276 /nfs/dbraw/zinc/49/52/76/822495276.db2.gz RRGSYYOFISCPNU-STQMWFEESA-N 0 1 376.287 4.443 20 0 GIADMN C[C@H](Cn1ncc2ccccc2c1=O)N[C@H](C)c1cccc(Cl)c1Cl ZINC000179517578 822495567 /nfs/dbraw/zinc/49/55/67/822495567.db2.gz JHOWCGZKBHFPPX-CHWSQXEVSA-N 0 1 376.287 4.443 20 0 GIADMN Cc1c2ccccc2oc1[C@@H](C)NCC(=O)Nc1ccccc1C(=O)NC(C)C ZINC000183579454 822497184 /nfs/dbraw/zinc/49/71/84/822497184.db2.gz OKAJAUGNGYTEHZ-MRXNPFEDSA-N 0 1 393.487 4.169 20 0 GIADMN CC[C@@H](NCc1ccc(Br)cc1C(F)(F)F)c1cnn(C)c1 ZINC000179527188 822497333 /nfs/dbraw/zinc/49/73/33/822497333.db2.gz DXYNIKXWQWGDEJ-CQSZACIVSA-N 0 1 376.220 4.442 20 0 GIADMN CC(C)[C@H](N[C@H]1CCCN(C(=O)OC(C)(C)C)CC1)c1nc(C2CC2)no1 ZINC000183604930 822500147 /nfs/dbraw/zinc/50/01/47/822500147.db2.gz OKUPPAGSWUCFIG-HOTGVXAUSA-N 0 1 378.517 4.023 20 0 GIADMN COc1ccc(NC(=O)[C@@H](C)N[C@@H](C)c2oc3ccccc3c2C)cc1OC ZINC000183607273 822500382 /nfs/dbraw/zinc/50/03/82/822500382.db2.gz HDJYHFFBHYXMFK-LSDHHAIUSA-N 0 1 382.460 4.436 20 0 GIADMN COc1c(Cl)cccc1NC(=O)N(C)C1CCN(CCC(F)(F)F)CC1 ZINC000454585192 822501329 /nfs/dbraw/zinc/50/13/29/822501329.db2.gz JFQVYMSSRZYMFB-UHFFFAOYSA-N 0 1 393.837 4.229 20 0 GIADMN CC1CCN([C@H](CNC(=O)c2ccn(-c3ccccc3)n2)c2cccs2)CC1 ZINC000046672968 822502324 /nfs/dbraw/zinc/50/23/24/822502324.db2.gz SGQGGTFFASQDPB-HXUWFJFHSA-N 0 1 394.544 4.137 20 0 GIADMN COc1ccc(OC)c(NC(=O)[C@@H](C)N[C@H](C)c2oc3ccccc3c2C)c1 ZINC000183624752 822502743 /nfs/dbraw/zinc/50/27/43/822502743.db2.gz DDNQXRUIQQYDNV-HUUCEWRRSA-N 0 1 382.460 4.436 20 0 GIADMN Cc1nc2c(s1)[C@H](N[C@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1)CCC2 ZINC000179555202 822502782 /nfs/dbraw/zinc/50/27/82/822502782.db2.gz MAIRJMRVKGLRSE-CEXWTWQISA-N 0 1 391.968 4.144 20 0 GIADMN COc1ccc(NC(=O)C[C@@H](C)N[C@@H](C)c2cccc(F)c2F)c(OC)c1 ZINC000179558502 822503531 /nfs/dbraw/zinc/50/35/31/822503531.db2.gz HRXLUWNAYWRQLQ-OLZOCXBDSA-N 0 1 378.419 4.050 20 0 GIADMN COc1ccccc1[C@H](C)NC(=O)[C@H](C)N[C@@H](C)c1cccc(OC(F)F)c1 ZINC000179577138 822506034 /nfs/dbraw/zinc/50/60/34/822506034.db2.gz FIIWJPKJAZYBAW-KKUMJFAQSA-N 0 1 392.446 4.213 20 0 GIADMN CC(C)(NCC(=O)N[C@@H](c1nccs1)c1ccccc1)c1cccc(F)c1 ZINC000179582845 822506724 /nfs/dbraw/zinc/50/67/24/822506724.db2.gz WMPPDDKJNBIOQS-LJQANCHMSA-N 0 1 383.492 4.013 20 0 GIADMN C[C@H](Cn1cc(Br)cn1)N[C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000179589929 822508221 /nfs/dbraw/zinc/50/82/21/822508221.db2.gz BBXLXTDEZHWGCN-QMTHXVAHSA-N 0 1 394.210 4.457 20 0 GIADMN CC(=O)c1ccccc1NC(=O)[C@H](C)N[C@@H](C)c1cccc(OC(F)F)c1 ZINC000179598139 822509863 /nfs/dbraw/zinc/50/98/63/822509863.db2.gz FXTLHOURNJKSNG-STQMWFEESA-N 0 1 376.403 4.168 20 0 GIADMN CC(C)C[C@@H](N[C@@H](C)c1cnn(Cc2ccccc2)c1)C(=O)Nc1nccs1 ZINC000179599441 822509967 /nfs/dbraw/zinc/50/99/67/822509967.db2.gz ULQOSZJIEHKGMC-QFBILLFUSA-N 0 1 397.548 4.092 20 0 GIADMN CC(C)C[C@@H](N[C@H](C)c1ccc2c(c1)OCCCO2)C(=O)Nc1nccs1 ZINC000179599695 822510211 /nfs/dbraw/zinc/51/02/11/822510211.db2.gz QAOLQYFSJDUIKE-GDBMZVCRSA-N 0 1 389.521 4.008 20 0 GIADMN COc1ccc(NC(=O)CN[C@@H](C)c2ccc(OC(F)F)cc2)cc1Cl ZINC000179602885 822510888 /nfs/dbraw/zinc/51/08/88/822510888.db2.gz BQYZILLXPVWSMM-NSHDSACASA-N 0 1 384.810 4.239 20 0 GIADMN CCOCc1cccc(NC(=O)N(C)C2CCN(CCC(F)(F)F)CC2)c1 ZINC000454654194 822512712 /nfs/dbraw/zinc/51/27/12/822512712.db2.gz BPFYUSUJZCTFTI-UHFFFAOYSA-N 0 1 387.446 4.104 20 0 GIADMN C[C@H](c1ccncc1)N(C)Cc1cc(Br)c2c(c1)OCCCO2 ZINC000183712345 822515335 /nfs/dbraw/zinc/51/53/35/822515335.db2.gz FKZVGAZXNYPSBP-CYBMUJFWSA-N 0 1 377.282 4.198 20 0 GIADMN COc1cc(C)c([C@@H](C)NCC(=O)Nc2sc(C)c(C)c2C)cc1OC ZINC000179634097 822516809 /nfs/dbraw/zinc/51/68/09/822516809.db2.gz FSBUNCUYOMTWQX-CQSZACIVSA-N 0 1 376.522 4.288 20 0 GIADMN CCOc1cc(CN(C)[C@@H](C)c2cccnc2)cc(Br)c1OC ZINC000183723128 822516894 /nfs/dbraw/zinc/51/68/94/822516894.db2.gz CDUPDMNLGOEOIM-ZDUSSCGKSA-N 0 1 379.298 4.444 20 0 GIADMN C[C@H](NCc1ccc(N2CCOC2=O)cc1)c1ccc(F)cc1OC(F)F ZINC000183739157 822519670 /nfs/dbraw/zinc/51/96/70/822519670.db2.gz PZCWWGXUFOZZRI-LBPRGKRZSA-N 0 1 380.366 4.235 20 0 GIADMN C[C@@H](N[C@@H](C)c1ccc(OC(F)(F)F)cc1)C(=O)Nc1cccnc1Cl ZINC000046818027 822520911 /nfs/dbraw/zinc/52/09/11/822520911.db2.gz YRHWCYOJEMQAPL-WDEREUQCSA-N 0 1 387.789 4.311 20 0 GIADMN CC(C)Oc1cccc([C@@H](C)NCC(=O)Nc2ccc(N3CCCC3)cc2)c1 ZINC000179663924 822522720 /nfs/dbraw/zinc/52/27/20/822522720.db2.gz GZRWUCJIVVNIBZ-GOSISDBHSA-N 0 1 381.520 4.363 20 0 GIADMN CC(C)Oc1cccc([C@@H](C)NCc2ccc(S(=O)(=O)C(F)F)cc2)c1 ZINC000179667373 822523409 /nfs/dbraw/zinc/52/34/09/822523409.db2.gz QUZCYDLAAZYEAN-CQSZACIVSA-N 0 1 383.460 4.321 20 0 GIADMN COc1cc(NC(=O)CNC2(c3cccc(Cl)c3)CC2)c(OC)cc1Cl ZINC000179670318 822523825 /nfs/dbraw/zinc/52/38/25/822523825.db2.gz ZSGCNBVAPXXTEX-UHFFFAOYSA-N 0 1 395.286 4.228 20 0 GIADMN O=C(CNC1(c2cccc(Cl)c2)CC1)N(Cc1ccco1)CC(F)(F)F ZINC000179678090 822525082 /nfs/dbraw/zinc/52/50/82/822525082.db2.gz WDOAMTHJPPMXTF-UHFFFAOYSA-N 0 1 386.801 4.103 20 0 GIADMN COc1cccc([C@@H]2[C@H](NC(=O)Nc3cc(F)ccc3F)CCN2C2CC2)c1 ZINC000183767846 822525515 /nfs/dbraw/zinc/52/55/15/822525515.db2.gz LQUJTLFTKURFEH-UYAOXDASSA-N 0 1 387.430 4.073 20 0 GIADMN Cc1cc(CNC(=O)NC2CCN([C@H](C)c3ccncc3)CC2)ccc1Cl ZINC000183777432 822526919 /nfs/dbraw/zinc/52/69/19/822526919.db2.gz QLQWDOIXYNJBST-MRXNPFEDSA-N 0 1 386.927 4.068 20 0 GIADMN Cc1cc(CNC(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)ccc1Cl ZINC000183777418 822527009 /nfs/dbraw/zinc/52/70/09/822527009.db2.gz QLQWDOIXYNJBST-INIZCTEOSA-N 0 1 386.927 4.068 20 0 GIADMN Cc1ccccc1NC(=O)CN[C@@H](C)c1cccc(OCc2ccccn2)c1 ZINC000179686690 822527135 /nfs/dbraw/zinc/52/71/35/822527135.db2.gz UNYLKNZRCWYOLZ-SFHVURJKSA-N 0 1 375.472 4.258 20 0 GIADMN Cc1ccccc1NC(=O)CN[C@H](C)c1cccc(OCc2ccccn2)c1 ZINC000179686702 822527208 /nfs/dbraw/zinc/52/72/08/822527208.db2.gz UNYLKNZRCWYOLZ-GOSISDBHSA-N 0 1 375.472 4.258 20 0 GIADMN C[C@@H](NCC(=O)NC1CCC(C)CC1)c1cccc(OCc2ccccn2)c1 ZINC000179688604 822527835 /nfs/dbraw/zinc/52/78/35/822527835.db2.gz IDCGJMQBTHMOLX-QPIRBTGLSA-N 0 1 381.520 4.006 20 0 GIADMN C[C@H](NCC(=O)N[C@@H]1CCCC[C@H]1C)c1cccc(OCc2ccccn2)c1 ZINC000179692611 822528430 /nfs/dbraw/zinc/52/84/30/822528430.db2.gz WUBWFCDUNJWIKJ-KGVIQGDOSA-N 0 1 381.520 4.006 20 0 GIADMN CC(C)(C)OC(=O)N[C@@H](CN[C@H](c1ccccc1)c1ccc(F)cn1)C1CC1 ZINC000183827651 822533101 /nfs/dbraw/zinc/53/31/01/822533101.db2.gz RHAOGXUYYCSJPX-VQTJNVASSA-N 0 1 385.483 4.203 20 0 GIADMN CC(C)c1nc(CNC(=O)Nc2ccccc2O[C@@H](C)c2ccccc2)n[nH]1 ZINC000454792977 822535058 /nfs/dbraw/zinc/53/50/58/822535058.db2.gz FMMAYCQMVFAUKP-HNNXBMFYSA-N 0 1 379.464 4.390 20 0 GIADMN CC[C@H](N[C@H](C)C(=O)N1CCc2sccc2C1)c1ccccc1OC(F)F ZINC000179724875 822535735 /nfs/dbraw/zinc/53/57/35/822535735.db2.gz ZNKVUPCAJDCRQG-CJNGLKHVSA-N 0 1 394.487 4.364 20 0 GIADMN Cc1nc(-c2cccc(NC(=O)CN[C@@H](CCCO)c3ccccc3)c2)cs1 ZINC000179728442 822536423 /nfs/dbraw/zinc/53/64/23/822536423.db2.gz ZYSGQKMBWFPBKK-FQEVSTJZSA-N 0 1 395.528 4.160 20 0 GIADMN C[C@H](NC(=O)CN[C@@H](CCCO)c1ccccc1)c1ccc(Cl)cc1Cl ZINC000179732930 822537757 /nfs/dbraw/zinc/53/77/57/822537757.db2.gz JVTAOKMCOMALTD-LIRRHRJNSA-N 0 1 395.330 4.274 20 0 GIADMN Cc1cccc(Cl)c1NC(=O)CN[C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000179741021 822540297 /nfs/dbraw/zinc/54/02/97/822540297.db2.gz ZJGMNANQBYAZGJ-NRFANRHFSA-N 0 1 386.879 4.099 20 0 GIADMN CCOc1ccccc1[C@@H](CC)NCC(=O)NCCc1nc2ccccc2s1 ZINC000179742577 822540823 /nfs/dbraw/zinc/54/08/23/822540823.db2.gz JZIQRURAPIFWEL-QGZVFWFLSA-N 0 1 397.544 4.095 20 0 GIADMN O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccc2c(=O)[nH]c(=S)[nH]c2c1 ZINC000047063063 822541551 /nfs/dbraw/zinc/54/15/51/822541551.db2.gz VLXHGRFYHUENMO-UHFFFAOYSA-N 0 1 388.452 4.236 20 0 GIADMN C[C@@H]1CCN(C(=O)CN[C@@H](CCCO)c2ccccc2)c2ccccc2S1 ZINC000179748089 822541839 /nfs/dbraw/zinc/54/18/39/822541839.db2.gz OZGUOCQQMBEQAH-MJGOQNOKSA-N 0 1 384.545 4.007 20 0 GIADMN C[C@H](c1ccc(C(=O)NC2CCN(Cc3ccncc3)CC2)cc1)C(F)(F)F ZINC000454833354 822542860 /nfs/dbraw/zinc/54/28/60/822542860.db2.gz HMWRQIQWYGWCLP-OAHLLOKOSA-N 0 1 391.437 4.142 20 0 GIADMN CC1CCN([C@H](CNC(=O)c2ncccc2C(F)(F)F)c2cccs2)CC1 ZINC000179758403 822544715 /nfs/dbraw/zinc/54/47/15/822544715.db2.gz IEWYWMFUHGFUHJ-OAHLLOKOSA-N 0 1 397.466 4.365 20 0 GIADMN CC(C)c1ccc(NC(=O)CN[C@@H](C)c2ccc(NC(=O)C3CC3)cc2)cc1 ZINC000179762797 822546350 /nfs/dbraw/zinc/54/63/50/822546350.db2.gz RDSKUUZROZDCLF-INIZCTEOSA-N 0 1 379.504 4.448 20 0 GIADMN Cc1ccc(Cl)cc1NC(=O)CN[C@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000179762839 822546456 /nfs/dbraw/zinc/54/64/56/822546456.db2.gz DPDSDWJNQHHNQZ-CQSZACIVSA-N 0 1 385.895 4.286 20 0 GIADMN Cc1ccc2nc([C@H]3CCCN3C(=O)C[C@H](O)c3ccc(Cl)cc3)[nH]c2c1 ZINC000179763292 822546649 /nfs/dbraw/zinc/54/66/49/822546649.db2.gz XKQZZBAFUFDWIF-MOPGFXCFSA-N 0 1 383.879 4.312 20 0 GIADMN CN(C(=O)Nc1ccc2ccn(C)c2c1)C1CCN(CCC(F)(F)F)CC1 ZINC000454858622 822547172 /nfs/dbraw/zinc/54/71/72/822547172.db2.gz GFIQXBQYEIJUEC-UHFFFAOYSA-N 0 1 382.430 4.059 20 0 GIADMN C[C@@H](NCC(=O)N[C@H](C)c1ccc(Cl)cc1)c1ccc(NC(=O)C2CC2)cc1 ZINC000179770335 822549230 /nfs/dbraw/zinc/54/92/30/822549230.db2.gz OFTSKDFHLGWESY-HUUCEWRRSA-N 0 1 399.922 4.217 20 0 GIADMN O=C([O-])c1ccccc1OCC[N@H+]1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000183936366 822550037 /nfs/dbraw/zinc/55/00/37/822550037.db2.gz BRWGZUZXUJNEIB-SFHVURJKSA-N 0 1 391.471 4.033 20 0 GIADMN C[C@@H](NCC(=O)N1c2ccccc2CC[C@H]1C)c1ccc(NC(=O)C2CC2)cc1 ZINC000179776161 822550630 /nfs/dbraw/zinc/55/06/30/822550630.db2.gz PPZRLXXMKOHGHB-IAGOWNOFSA-N 0 1 391.515 4.054 20 0 GIADMN C[C@@H](NCC(=O)N[C@@H](C)c1ccccc1Cl)c1ccc(NC(=O)C2CC2)cc1 ZINC000179779309 822551262 /nfs/dbraw/zinc/55/12/62/822551262.db2.gz GCXYXCPXEUQUJO-CABCVRRESA-N 0 1 399.922 4.217 20 0 GIADMN CCc1cccc(C)c1NC(=O)CN[C@@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000179780451 822551497 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O=C(NC[C@H](OCC1CC1)c1ccc(Cl)cc1)c1cn[nH]c1-c1ccccn1 ZINC000569280900 822900877 /nfs/dbraw/zinc/90/08/77/822900877.db2.gz RCNJIJPHMOVKEJ-IBGZPJMESA-N 0 1 396.878 4.023 20 0 GIADMN Fc1cccc(COc2ccc(CN[C@H](c3nnc[nH]3)c3ccccc3)cc2)c1 ZINC000569309594 822905408 /nfs/dbraw/zinc/90/54/08/822905408.db2.gz KCYWTYAOKXFFBA-QFIPXVFZSA-N 0 1 388.446 4.402 20 0 GIADMN CC(C)(C)c1nc2ccc(NC(=O)c3cccc(N4CCCNC4=O)c3)cc2[nH]1 ZINC000175218234 822907299 /nfs/dbraw/zinc/90/72/99/822907299.db2.gz MNELRGMIKVGVLU-UHFFFAOYSA-N 0 1 391.475 4.032 20 0 GIADMN CC[C@H](CC(F)F)C(=O)NC[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000457694808 822907678 /nfs/dbraw/zinc/90/76/78/822907678.db2.gz RSGCCLZKEQMGQB-CJBNDPTMSA-N 0 1 376.850 4.270 20 0 GIADMN O=C([O-])C[N@@H+](Cc1ccc(C(F)(F)F)cc1)Cc1ccc(C(F)(F)F)cn1 ZINC000569347975 822910016 /nfs/dbraw/zinc/91/00/16/822910016.db2.gz ZBOXYSIQTFZIBV-UHFFFAOYSA-N 0 1 392.299 4.206 20 0 GIADMN Cc1c(C(=O)[O-])sc2nc(C[NH+](C)C)nc(N[C@H](C)c3ccc(C)cc3)c12 ZINC000569366765 822911520 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GIADMN Cc1cc(-c2noc([C@H](C)N3C[C@H](c4cnn(C)c4)C(C)(C)C3)n2)ccc1F ZINC000569469382 822926768 /nfs/dbraw/zinc/92/67/68/822926768.db2.gz WNVMNPSBOBRDBF-WMLDXEAASA-N 0 1 383.471 4.104 20 0 GIADMN COc1ccc(CN2CCCN(C(=O)[C@@H](C)c3ccc(Cl)s3)CC2)cc1 ZINC000175294349 822927199 /nfs/dbraw/zinc/92/71/99/822927199.db2.gz VTCWJWSHORJPTF-HNNXBMFYSA-N 0 1 392.952 4.248 20 0 GIADMN CC(C)[C@@H]1N(C(=O)NC2CCN(Cc3ccncc3)CC2)CC12CCCCC2 ZINC000457878146 822927878 /nfs/dbraw/zinc/92/78/78/822927878.db2.gz VYAUIUXDQDCYDD-NRFANRHFSA-N 0 1 384.568 4.046 20 0 GIADMN CC(C)c1nc(CNC(=O)N[C@@H](c2ccccc2)c2cccc(Cl)c2)n[nH]1 ZINC000457880173 822928099 /nfs/dbraw/zinc/92/80/99/822928099.db2.gz UHKHOKYZMVQSCZ-SFHVURJKSA-N 0 1 383.883 4.170 20 0 GIADMN COc1cccc([C@H]2C[C@H](N(C)C(=O)NC[C@H](c3ccc(F)cc3)N(C)C)C2)c1 ZINC000457891525 822929308 /nfs/dbraw/zinc/92/93/08/822929308.db2.gz AXSDNONNTDNFDZ-SYYKKAFVSA-N 0 1 399.510 4.025 20 0 GIADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)n[nH]1 ZINC000569527517 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Cc1cc(CN2CCSCC2)ccc1NC(=O)c1cc(Cl)nc(Cl)c1 ZINC000126467002 823875677 /nfs/dbraw/zinc/87/56/77/823875677.db2.gz QOLARBOYPFTMMN-UHFFFAOYSA-N 0 1 396.343 4.498 20 0 GIADMN CCc1nc2ccccc2n1C1CCN([C@H]2CCc3ccccc3NC2=O)CC1 ZINC000192144920 823879052 /nfs/dbraw/zinc/87/90/52/823879052.db2.gz PNDJKRRGJAMCEJ-QFIPXVFZSA-N 0 1 388.515 4.189 20 0 GIADMN COc1cccc2c1CCC[C@@H]2N[C@@H](CO)c1ccccc1OC(F)(F)F ZINC000574989888 823880854 /nfs/dbraw/zinc/88/08/54/823880854.db2.gz LXFTVUCUGAXSOA-IRXDYDNUSA-N 0 1 381.394 4.294 20 0 GIADMN C[C@H](C(=O)Nc1cccc(CN2CCSCC2)c1)c1c(F)cccc1F ZINC000126506228 823886582 /nfs/dbraw/zinc/88/65/82/823886582.db2.gz YTKRQAFASBIQFD-AWEZNQCLSA-N 0 1 376.472 4.256 20 0 GIADMN COc1ccc2c(c1)[C@@H](NCc1ccc(C)cc1OC[C@@H]1CCOC1)CCCO2 ZINC000167167240 823887557 /nfs/dbraw/zinc/88/75/57/823887557.db2.gz VEANSTGPHPRLMM-GCJKJVERSA-N 0 1 397.515 4.422 20 0 GIADMN COCCCOc1cc(C)ccc1CN[C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000167242252 823889511 /nfs/dbraw/zinc/88/95/11/823889511.db2.gz RBQWZJQEMDSFAU-LJQANCHMSA-N 0 1 396.531 4.388 20 0 GIADMN O=C(COC/C=C/c1ccccc1)N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1 ZINC000126521476 823889899 /nfs/dbraw/zinc/88/98/99/823889899.db2.gz ZXROCNNIIWLIRQ-HJKZNEBBSA-N 0 1 397.478 4.499 20 0 GIADMN CC[C@@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)c1cccc2c[nH]nc21 ZINC000414029489 823892780 /nfs/dbraw/zinc/89/27/80/823892780.db2.gz YPVXPZOEUCBQMJ-OAHLLOKOSA-N 0 1 378.476 4.059 20 0 GIADMN C[C@H]1CCN(CC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)CCS1 ZINC000192184200 823895147 /nfs/dbraw/zinc/89/51/47/823895147.db2.gz YAGKGGUYRLOMLO-KKSFZXQISA-N 0 1 386.586 4.050 20 0 GIADMN C[C@@H]1CCN(CC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)CCS1 ZINC000192184193 823895205 /nfs/dbraw/zinc/89/52/05/823895205.db2.gz YAGKGGUYRLOMLO-IERDGZPVSA-N 0 1 386.586 4.050 20 0 GIADMN C[C@@H](N[C@@H](C)c1ccnc(Cl)c1)c1cc(F)ccc1N1CCC(O)CC1 ZINC000167813290 823895875 /nfs/dbraw/zinc/89/58/75/823895875.db2.gz PZJAHMYXDOJSFN-UONOGXRCSA-N 0 1 377.891 4.247 20 0 GIADMN O=C(c1cc(-c2ccc3ccccc3c2)[nH]n1)N1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000575040923 823897914 /nfs/dbraw/zinc/89/79/14/823897914.db2.gz VQJIMBBNMCKSOE-VQTJNVASSA-N 0 1 375.472 4.119 20 0 GIADMN O=S(=O)(c1ccc(CNCc2ccc(-c3ccccc3)o2)cc1)N1CCCC1 ZINC000126557836 823898191 /nfs/dbraw/zinc/89/81/91/823898191.db2.gz BFGKRPBQOBXFPK-UHFFFAOYSA-N 0 1 396.512 4.021 20 0 GIADMN Cc1cc(C)c2[nH+]cc(C(=O)[O-])c(N3CCN([C@@H](C)c4ccsc4)CC3)c2c1 ZINC000575049202 823899603 /nfs/dbraw/zinc/89/96/03/823899603.db2.gz WPFWUAMZWMMJQS-INIZCTEOSA-N 0 1 395.528 4.495 20 0 GIADMN C[C@H](N[C@@H]1CCN(c2ncccc2F)C1)c1ccc(F)cc1Br ZINC000168148156 823900537 /nfs/dbraw/zinc/90/05/37/823900537.db2.gz PYIPRWUEFKHEIZ-WCQYABFASA-N 0 1 382.252 4.052 20 0 GIADMN COC(=O)c1cnc([C@@H](C)NC[C@@H](C)CSc2ccccc2OC)s1 ZINC000414070478 823900889 /nfs/dbraw/zinc/90/08/89/823900889.db2.gz CHVNRTFWEXBGDJ-CHWSQXEVSA-N 0 1 380.535 4.017 20 0 GIADMN C[C@H](CN[C@H](C)c1cc2n(n1)CCC2)Sc1ccc(Br)cc1 ZINC000414073929 823901786 /nfs/dbraw/zinc/90/17/86/823901786.db2.gz GJKYSRLCPHPHQH-CHWSQXEVSA-N 0 1 380.355 4.423 20 0 GIADMN COCc1cc([C@H](C)N[C@H](C)c2cc(OC)c(OC)cc2F)ccc1OC ZINC000168585865 823904601 /nfs/dbraw/zinc/90/46/01/823904601.db2.gz JYDHJINBBFTUMI-UONOGXRCSA-N 0 1 377.456 4.410 20 0 GIADMN CC[N@@H+](CCCc1nc(-c2ccc(C)c(F)c2)no1)C1CCC(C(=O)[O-])CC1 ZINC000575073543 823904857 /nfs/dbraw/zinc/90/48/57/823904857.db2.gz HROIAQUIIBORNC-UHFFFAOYSA-N 0 1 389.471 4.082 20 0 GIADMN CO[C@H](c1ccc(Br)cc1)[C@@H](C)N[C@@H](C)c1cc2n(n1)CCC2 ZINC000414098019 823909337 /nfs/dbraw/zinc/90/93/37/823909337.db2.gz JMJJHQLPHUPNBT-JCGVRSQUSA-N 0 1 378.314 4.019 20 0 GIADMN CSc1ccc(OC[C@H](O)CSc2nc(-c3ccc(C)cc3)n[nH]2)cc1 ZINC000414100201 823909777 /nfs/dbraw/zinc/90/97/77/823909777.db2.gz RIZHIDPDWSYDJE-HNNXBMFYSA-N 0 1 387.530 4.034 20 0 GIADMN Nc1cc2ccccc2cc1C(=O)N1CCC(c2ncc(C(F)(F)F)[nH]2)CC1 ZINC000169255483 823910156 /nfs/dbraw/zinc/91/01/56/823910156.db2.gz ZOYYVDKHGWGGRI-UHFFFAOYSA-N 0 1 388.393 4.184 20 0 GIADMN CC(C)(C)N1CCc2nc(NC(=O)c3cnnc(-c4ccccc4)c3)sc2C1 ZINC000575117834 823916796 /nfs/dbraw/zinc/91/67/96/823916796.db2.gz KIALAHAKZUWHLH-UHFFFAOYSA-N 0 1 393.516 4.009 20 0 GIADMN CC(C)c1ccc(CN(C)CCCOc2ccc(S(C)(=O)=O)cc2)cc1 ZINC000064961762 823918733 /nfs/dbraw/zinc/91/87/33/823918733.db2.gz IXZVRUCPQZACDG-UHFFFAOYSA-N 0 1 375.534 4.114 20 0 GIADMN Cc1sc(NC(=O)[C@@H](C)N2CCCCCC2)nc1-c1c[nH]c2ncccc12 ZINC000126657990 823921013 /nfs/dbraw/zinc/92/10/13/823921013.db2.gz MILHINJJMCEXEJ-CYBMUJFWSA-N 0 1 383.521 4.198 20 0 GIADMN CC(C)(C)c1n[nH]cc1CNCc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000065014540 823924639 /nfs/dbraw/zinc/92/46/39/823924639.db2.gz VAQVFGRCTQARPX-UHFFFAOYSA-N 0 1 377.414 4.202 20 0 GIADMN COc1ccc(CCC(=O)N2CCCN(Cc3cc(C)sc3C)CC2)cc1 ZINC000170646364 823924909 /nfs/dbraw/zinc/92/49/09/823924909.db2.gz WIWRHQWBLCYJAD-UHFFFAOYSA-N 0 1 386.561 4.041 20 0 GIADMN C[C@@H](C(=O)Nc1ccc2ccccc2c1)[N@H+]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000170648231 823926380 /nfs/dbraw/zinc/92/63/80/823926380.db2.gz YMGYVPNPZBDOAK-DLBZAZTESA-N 0 1 397.519 4.013 20 0 GIADMN C[C@@H](C(=O)Nc1ccc2ccccc2c1)N1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000170648231 823926390 /nfs/dbraw/zinc/92/63/90/823926390.db2.gz YMGYVPNPZBDOAK-DLBZAZTESA-N 0 1 397.519 4.013 20 0 GIADMN CCS(=O)(=O)c1cc(Cl)cc(CN[C@H]2CCCNc3ccccc32)c1 ZINC000414205466 823928240 /nfs/dbraw/zinc/92/82/40/823928240.db2.gz DCJAOAZHYHJIQH-IBGZPJMESA-N 0 1 378.925 4.170 20 0 GIADMN COc1ccc2oc([C@H](C)N[C@@H](C)C(=O)Nc3ccccc3OC)c(C)c2c1 ZINC000575162799 823928370 /nfs/dbraw/zinc/92/83/70/823928370.db2.gz LETRCMQFWSAVMP-GJZGRUSLSA-N 0 1 382.460 4.436 20 0 GIADMN CC[C@H](NCc1cc(Cl)cc(S(=O)(=O)CC)c1)c1ccc(OC)cc1 ZINC000414212236 823930241 /nfs/dbraw/zinc/93/02/41/823930241.db2.gz QDZXGBOSBBHICJ-IBGZPJMESA-N 0 1 381.925 4.383 20 0 GIADMN CCS(=O)(=O)c1cc(Cl)cc(CN[C@H]2c3cc(F)ccc3C[C@@H]2C)c1 ZINC000414215391 823931582 /nfs/dbraw/zinc/93/15/82/823931582.db2.gz XGVBBOMKRMGFPU-HXPMCKFVSA-N 0 1 381.900 4.296 20 0 GIADMN C[C@@H](Cc1ccc(Br)c(F)c1)NCc1nccc(C(F)(F)F)n1 ZINC000414233846 823934952 /nfs/dbraw/zinc/93/49/52/823934952.db2.gz FQDQNJSYQVLCMO-VIFPVBQESA-N 0 1 392.194 4.118 20 0 GIADMN CN(C)[C@@H](CNC(=O)Nc1cc(Cl)c(N)c(Cl)c1)c1ccc(F)cc1 ZINC000192301381 823939993 /nfs/dbraw/zinc/93/99/93/823939993.db2.gz IZCABKKTXWZQDC-HNNXBMFYSA-N 0 1 385.270 4.139 20 0 GIADMN CN(C)[C@@H](CNC(=O)Nc1cc(Cl)c(N)c(Cl)c1)c1cccc(F)c1 ZINC000192306238 823941255 /nfs/dbraw/zinc/94/12/55/823941255.db2.gz YRCGHLJHKVMIBD-HNNXBMFYSA-N 0 1 385.270 4.139 20 0 GIADMN CC(C)c1nnc(CSc2nc(-c3ccccc3Br)n[nH]2)o1 ZINC000170697201 823944501 /nfs/dbraw/zinc/94/45/01/823944501.db2.gz JDIXVQNDMDNPET-UHFFFAOYSA-N 0 1 380.271 4.033 20 0 GIADMN COc1ccc([C@@H](NC(=O)Cc2[nH]nc3ccccc32)c2ccc(F)cc2)cc1 ZINC000065124446 823948358 /nfs/dbraw/zinc/94/83/58/823948358.db2.gz OBYDLQSPVLVNCY-QHCPKHFHSA-N 0 1 389.430 4.159 20 0 GIADMN Cc1nc(C(C)(C)NC[C@@H](O)CO[C@@H](C)c2ccc(Cl)cc2)sc1C ZINC000126784728 823950346 /nfs/dbraw/zinc/95/03/46/823950346.db2.gz QQDQCTVUZKRXBH-SUMWQHHRSA-N 0 1 382.957 4.377 20 0 GIADMN Cc1nc(C(C)(C)NC[C@H](O)CO[C@H](C)c2ccc(Cl)cc2)sc1C ZINC000126784924 823950470 /nfs/dbraw/zinc/95/04/70/823950470.db2.gz QQDQCTVUZKRXBH-DYVFJYSZSA-N 0 1 382.957 4.377 20 0 GIADMN Cc1nn(-c2cccc(F)c2)cc1CNCc1ccc(OC2CCCC2)nc1 ZINC000414306620 823954510 /nfs/dbraw/zinc/95/45/10/823954510.db2.gz GKRMCHDLNSEIQS-UHFFFAOYSA-N 0 1 380.467 4.326 20 0 GIADMN C[C@@H]1CCN(c2c(C(=O)[O-])cnc3ccccc32)CC[N@@H+]1Cc1ccccc1 ZINC000575319480 823954707 /nfs/dbraw/zinc/95/47/07/823954707.db2.gz VLLGHKINUHIKKH-QGZVFWFLSA-N 0 1 375.472 4.034 20 0 GIADMN C[C@@H]1CCN(c2c(C(=O)[O-])cnc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC000575319480 823954716 /nfs/dbraw/zinc/95/47/16/823954716.db2.gz VLLGHKINUHIKKH-QGZVFWFLSA-N 0 1 375.472 4.034 20 0 GIADMN Cc1nc(C)c(CN2CCN(Cc3sc(C)nc3C)[C@@H]3CCCC[C@H]32)s1 ZINC000575324461 823955880 /nfs/dbraw/zinc/95/58/80/823955880.db2.gz KHZGBSNEXTYYCP-QZTJIDSGSA-N 0 1 390.622 4.462 20 0 GIADMN O[C@H](CSc1nc(-c2ccccc2)cs1)CN1CCc2ccccc2C1 ZINC000065169584 823956394 /nfs/dbraw/zinc/95/63/94/823956394.db2.gz QRQVNKYGWWOHMY-IBGZPJMESA-N 0 1 382.554 4.321 20 0 GIADMN CCOc1ccc([C@H]2CCCN2C(=O)CN[C@H]2CCCc3c(O)cccc32)cc1 ZINC000192354608 823957168 /nfs/dbraw/zinc/95/71/68/823957168.db2.gz QVCCDPHWUUYDRH-FCHUYYIVSA-N 0 1 394.515 4.122 20 0 GIADMN O=C(CN[C@@H]1CCCc2c(O)cccc21)N(Cc1ccco1)c1ccccc1 ZINC000192358270 823958504 /nfs/dbraw/zinc/95/85/04/823958504.db2.gz XOZYUDSZAZLNBW-OAQYLSRUSA-N 0 1 376.456 4.186 20 0 GIADMN CC[C@@H](NC(=O)N1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1)c1ccccc1 ZINC000575348827 823959730 /nfs/dbraw/zinc/95/97/30/823959730.db2.gz NSWIHTQDDFJPET-RTBURBONSA-N 0 1 375.476 4.470 20 0 GIADMN CC[C@@H](NC(=O)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1)c1ccccc1 ZINC000575348827 823959735 /nfs/dbraw/zinc/95/97/35/823959735.db2.gz NSWIHTQDDFJPET-RTBURBONSA-N 0 1 375.476 4.470 20 0 GIADMN CCc1[nH]n(Cc2ccccc2C)c(=O)c1CCNC(=O)c1cc(C)cc(C)c1 ZINC000575399387 823967141 /nfs/dbraw/zinc/96/71/41/823967141.db2.gz VQJXUZLUEDFBNT-OAQYLSRUSA-N 0 1 391.515 4.156 20 0 GIADMN Cc1ccccc1OCCC[N@H+](C)Cc1nc2ccccc2c(C)c1C(=O)[O-] ZINC000575412983 823968536 /nfs/dbraw/zinc/96/85/36/823968536.db2.gz ROJSARDHALBKBV-UHFFFAOYSA-N 0 1 378.472 4.451 20 0 GIADMN O=C(CN1CCCCCCC1)Nc1ccc(NC(=O)c2cc(C3CC3)on2)cc1 ZINC000170777193 823968731 /nfs/dbraw/zinc/96/87/31/823968731.db2.gz HVCKRQJXTRJESC-UHFFFAOYSA-N 0 1 396.491 4.009 20 0 GIADMN Cc1nn(-c2cccc(F)c2)cc1CNCc1ccc(C)cc1O[C@@H]1CCOC1 ZINC000414384272 823970551 /nfs/dbraw/zinc/97/05/51/823970551.db2.gz VJGRYMWJWBHLIM-JOCHJYFZSA-N 0 1 395.478 4.086 20 0 GIADMN O=C(c1cc(-c2ccccc2Cl)[nH]n1)N1CCO[C@@H](c2cccc(F)c2)C1 ZINC000170780688 823970445 /nfs/dbraw/zinc/97/04/45/823970445.db2.gz QQHWALYSSMAMNW-LJQANCHMSA-N 0 1 385.826 4.083 20 0 GIADMN Cc1cccc(Cl)c1S(=O)(=O)Nc1cn(CC(C)C)nc1C(F)F ZINC000414386326 823971029 /nfs/dbraw/zinc/97/10/29/823971029.db2.gz XAUHQNHDXPJWLM-UHFFFAOYSA-N 0 1 377.844 4.239 20 0 GIADMN CCN(CC)c1ccc(CN[C@@H](C)c2cc(Cl)c(OC)cc2OC)cn1 ZINC000126879468 823972549 /nfs/dbraw/zinc/97/25/49/823972549.db2.gz CFBATCVKRBMYNN-AWEZNQCLSA-N 0 1 377.916 4.449 20 0 GIADMN CC(C)(NCc1ccc(S(C)(=O)=O)s1)c1ccc(OC(F)(F)F)cc1 ZINC000414429136 823982780 /nfs/dbraw/zinc/98/27/80/823982780.db2.gz CSCWJUPAFKMHQF-UHFFFAOYSA-N 0 1 393.452 4.075 20 0 GIADMN COc1ccc([C@@H](C)NCc2cn(-c3cccc(F)c3)nc2C)c(C)c1OC ZINC000414443049 823986344 /nfs/dbraw/zinc/98/63/44/823986344.db2.gz MZGGTPHJEGQPSP-MRXNPFEDSA-N 0 1 383.467 4.496 20 0 GIADMN CC(=O)CC(C)(C)CC(=O)C(C#N)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000192429891 823990574 /nfs/dbraw/zinc/99/05/74/823990574.db2.gz JPBQKVGKWSHAQF-AWEZNQCLSA-N 0 1 382.432 4.044 20 0 GIADMN FC(F)(F)Cn1cc(CN2CC(Cc3ccccc3)(c3ccccc3)C2)cn1 ZINC000414481666 823992576 /nfs/dbraw/zinc/99/25/76/823992576.db2.gz WDBXZDIPNNODDW-UHFFFAOYSA-N 0 1 385.433 4.442 20 0 GIADMN Clc1cc(Br)cc(CNCc2ccc(N3CCCC3)nc2)c1 ZINC000414501039 823996479 /nfs/dbraw/zinc/99/64/79/823996479.db2.gz GKENGSFPYYVNPU-UHFFFAOYSA-N 0 1 380.717 4.388 20 0 GIADMN O=C(Nc1cccc(-c2nnc[nH]2)c1)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F ZINC000127010824 824000209 /nfs/dbraw/zinc/00/02/09/824000209.db2.gz WGMNGWCMBAPUPL-GJZGRUSLSA-N 0 1 388.349 4.113 20 0 GIADMN CC[C@H](NCc1ccc2c(c1)sc(=O)n2C)c1ccccc1OC(F)F ZINC000192469284 824002948 /nfs/dbraw/zinc/00/29/48/824002948.db2.gz MFGNVFHNYNJWSG-AWEZNQCLSA-N 0 1 378.444 4.442 20 0 GIADMN OCC1([C@H](NCc2cc(O)cc(C(F)(F)F)c2)c2ccccc2)CCOCC1 ZINC000414538247 824005366 /nfs/dbraw/zinc/00/53/66/824005366.db2.gz LWUXUQRDVFKNOP-LJQANCHMSA-N 0 1 395.421 4.031 20 0 GIADMN COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)[C@](C)(N)c3ccccc3)s2)cc1 ZINC000192480691 824007275 /nfs/dbraw/zinc/00/72/75/824007275.db2.gz OUXFOIRLGWUSBO-IVZQSRNASA-N 0 1 395.528 4.178 20 0 GIADMN CCc1c(C(=O)Nc2[nH]nc(-c3ccc(C)o3)c2C)cnn1-c1ccccc1 ZINC000192482532 824008096 /nfs/dbraw/zinc/00/80/96/824008096.db2.gz YYLITDMTTALDDW-UHFFFAOYSA-N 0 1 375.432 4.287 20 0 GIADMN CC(C)(C)OC(=O)CC[C@H]1CCCN(Cc2cnc([C@H]3CCCO3)s2)C1 ZINC000414551122 824009898 /nfs/dbraw/zinc/00/98/98/824009898.db2.gz AWVDQLQSISJFJD-NVXWUHKLSA-N 0 1 380.554 4.329 20 0 GIADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)Nc2ccc(-n3cccn3)c(Cl)c2)n[nH]1 ZINC000575853419 824013125 /nfs/dbraw/zinc/01/31/25/824013125.db2.gz NATCBHRRXCBNOP-VXGBXAGGSA-N 0 1 387.875 4.040 20 0 GIADMN Cc1[nH]ncc1C1CCN(C(=O)N[C@H]2CCCc3sc(Cl)cc32)CC1 ZINC000575855485 824013397 /nfs/dbraw/zinc/01/33/97/824013397.db2.gz YXAPABNKSRRWLC-HNNXBMFYSA-N 0 1 378.929 4.400 20 0 GIADMN Cc1c(C(=O)[O-])sc2nc(C[NH+](C)C)nc(N[C@H](C)C3CCCCC3)c12 ZINC000575871605 824016830 /nfs/dbraw/zinc/01/68/30/824016830.db2.gz IYAQMMYUISSRBK-GFCCVEGCSA-N 0 1 376.526 4.140 20 0 GIADMN O=C(CNC1(c2ccc(F)cc2)CCOCC1)Nc1ccccc1C(F)(F)F ZINC000170971280 824023125 /nfs/dbraw/zinc/02/31/25/824023125.db2.gz UTLSYHXDYZCMBY-UHFFFAOYSA-N 0 1 396.384 4.079 20 0 GIADMN CCC[N@@H+](CC(=O)[O-])Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1 ZINC000414686807 824023521 /nfs/dbraw/zinc/02/35/21/824023521.db2.gz WBXYDFFTAUJEMU-UHFFFAOYSA-N 0 1 397.450 4.409 20 0 GIADMN COc1ccc2sc(-c3nc([C@@H]4CN5CCC[C@@]5(C)CO4)no3)c(C)c2c1 ZINC000575907101 824026015 /nfs/dbraw/zinc/02/60/15/824026015.db2.gz XIVDITMOJJZDFE-YWZLYKJASA-N 0 1 385.489 4.194 20 0 GIADMN O[C@H](CN1CCC([C@H](O)c2ccc(F)cc2)CC1)c1ccccc1C(F)(F)F ZINC000170988510 824029247 /nfs/dbraw/zinc/02/92/47/824029247.db2.gz UZCNHOFHECYQDL-WOJBJXKFSA-N 0 1 397.412 4.324 20 0 GIADMN CCCO[C@@H]1CCCN(CC(=O)N2CC[C@H](C)Sc3ccccc32)CC1 ZINC000170990139 824029549 /nfs/dbraw/zinc/02/95/49/824029549.db2.gz VRGULCTZXXOFQU-ZWKOTPCHSA-N 0 1 376.566 4.185 20 0 GIADMN Cc1ccc(C[C@@H](NCc2ccc3c(c2)sc(=O)n3C)c2ccccn2)cc1 ZINC000192574967 824036152 /nfs/dbraw/zinc/03/61/52/824036152.db2.gz NSKYTPWECQDBDP-HXUWFJFHSA-N 0 1 389.524 4.377 20 0 GIADMN Cc1cccc(C2(C(=O)NC3CCN(Cc4cccnc4)CC3)CCCCC2)c1 ZINC000192578506 824036897 /nfs/dbraw/zinc/03/68/97/824036897.db2.gz UNQBAWYCRSBCPS-UHFFFAOYSA-N 0 1 391.559 4.373 20 0 GIADMN CO[C@H](C)c1cccc(NS(=O)(=O)c2ccc(F)cc2Br)c1 ZINC000171013526 824036969 /nfs/dbraw/zinc/03/69/69/824036969.db2.gz KDINOJZWGRTKGM-SNVBAGLBSA-N 0 1 388.258 4.096 20 0 GIADMN CO[C@@H](C)c1cccc(NS(=O)(=O)c2ccc(F)cc2Br)c1 ZINC000171013524 824037166 /nfs/dbraw/zinc/03/71/66/824037166.db2.gz KDINOJZWGRTKGM-JTQLQIEISA-N 0 1 388.258 4.096 20 0 GIADMN COc1cc(C(=O)Nc2nc(-c3ccco3)n[nH]2)cc(Cl)c1OCC(C)C ZINC000192594917 824040834 /nfs/dbraw/zinc/04/08/34/824040834.db2.gz YVLLRVJDSGIWQI-UHFFFAOYSA-N 0 1 390.827 4.014 20 0 GIADMN Cc1cccc2nc(CN3CCC[C@H](c4nc(-c5ccc(F)cc5)no4)C3)cn21 ZINC000171038384 824044043 /nfs/dbraw/zinc/04/40/43/824044043.db2.gz KYMFYRQAANUEPA-KRWDZBQOSA-N 0 1 391.450 4.211 20 0 GIADMN CCOC(=O)c1oc2c(c1C)[C@@H](N[C@H](C)c1cccc(NC(C)=O)c1)CCC2 ZINC000192631843 824051395 /nfs/dbraw/zinc/05/13/95/824051395.db2.gz NRBIHHUVXPERDB-KDOFPFPSSA-N 0 1 384.476 4.451 20 0 GIADMN O=C(Nc1nc(-c2sccc2Br)cs1)C12CCCN1CCC2 ZINC000414935803 824051698 /nfs/dbraw/zinc/05/16/98/824051698.db2.gz WFQCLOPKTSZVIS-UHFFFAOYSA-N 0 1 398.351 4.201 20 0 GIADMN COc1ccc([C@@H](O)[C@H]2CCCN2Cc2nnc(-c3ccccc3Cl)o2)cc1 ZINC000359978595 209209847 /nfs/dbraw/zinc/20/98/47/209209847.db2.gz OKXZBWPTVSDXCS-UYAOXDASSA-N 0 1 399.878 4.097 20 0 GIADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1csc2c1CC[C@H](C)C2 ZINC000006912282 212069601 /nfs/dbraw/zinc/06/96/01/212069601.db2.gz IHXXNKSCUSGDOC-HNNXBMFYSA-N 0 1 383.561 4.185 20 0 GIADMN Cc1nc(CN2CCCC23CCN(c2cc(C(C)C)nc(C)n2)CC3)cs1 ZINC001164694359 719804259 /nfs/dbraw/zinc/80/42/59/719804259.db2.gz XRWZVOABDCQLCA-UHFFFAOYSA-N 0 1 385.581 4.308 20 0 GIADMN Cc1nc(CN2CCCC23CCN(c2ncnc4ccc(F)cc42)CC3)cs1 ZINC001164692947 719804422 /nfs/dbraw/zinc/80/44/22/719804422.db2.gz QTLKTBUWMSGGRK-UHFFFAOYSA-N 0 1 397.523 4.169 20 0 GIADMN Cc1nc(CN2CCCC23CCN(c2cc(C)c4cc[nH]c4n2)CC3)cs1 ZINC001164691292 719811447 /nfs/dbraw/zinc/81/14/47/719811447.db2.gz DSRGFNLCDPRDKO-UHFFFAOYSA-N 0 1 381.549 4.271 20 0 GIADMN Cc1cc2ccccc2nc1N1CCC2(CC1)CN(Cc1cccs1)CCO2 ZINC001164696073 719888921 /nfs/dbraw/zinc/88/89/21/719888921.db2.gz WDULLZILSYJOKJ-UHFFFAOYSA-N 0 1 393.556 4.476 20 0 GIADMN Cc1cc(N2CCc3ncc(CN4CCCC4)n3CC2)nc2cc(Cl)ccc12 ZINC001164727980 720572850 /nfs/dbraw/zinc/57/28/50/720572850.db2.gz GWMXYYAMMHSWOP-UHFFFAOYSA-N 0 1 395.938 4.052 20 0 GIADMN CC(C)c1cc2c(ncnc2N2CCn3c(CN(C)C(C)C)cnc3[C@@H]2C)s1 ZINC001164854596 720919426 /nfs/dbraw/zinc/91/94/26/720919426.db2.gz FYLXIRMFRRKKOS-HNNXBMFYSA-N 0 1 398.580 4.433 20 0 GIADMN CC(C)N(C)Cc1cnc2n1CCN(c1nc(Cl)cc(C(C)(C)C)n1)[C@@H]2C ZINC001164863426 720993377 /nfs/dbraw/zinc/99/33/77/720993377.db2.gz VIHHSBCXDFKINE-CQSZACIVSA-N 0 1 390.963 4.045 20 0 GIADMN Cc1c[nH]c2nc(Cl)cc(N3CCn4c(CN(C)C(C)C)cnc4[C@H]3C)c12 ZINC001164859656 720997056 /nfs/dbraw/zinc/99/70/56/720997056.db2.gz KXSXQXAYEMHMFW-CQSZACIVSA-N 0 1 386.931 4.143 20 0 GIADMN F[C@H](Oc1ccnc(Cl)c1)N1CC(c2ncn3cc(-c4ccoc4)ccc23)C1 ZINC001165014206 721767801 /nfs/dbraw/zinc/76/78/01/721767801.db2.gz FDASVHYGZVAMAI-FQEVSTJZSA-N 0 1 398.825 4.374 20 0 GIADMN COc1cccc(OC)c1CN1CCC(N(C)c2ccc3ccccc3n2)CC1 ZINC001165017398 721837596 /nfs/dbraw/zinc/83/75/96/721837596.db2.gz LHLWWWAJZMOSIG-UHFFFAOYSA-N 0 1 391.515 4.353 20 0 GIADMN Fc1cccc(Oc2nc(Cl)ncc2N2CCN(C3CCCC3)CC2)c1 ZINC001165033407 721862235 /nfs/dbraw/zinc/86/22/35/721862235.db2.gz NEJOQLHYJYECEL-UHFFFAOYSA-N 0 1 376.863 4.126 20 0 GIADMN Cc1ccc2nc(CNC(=O)N3CC(c4cccc(C(F)(F)F)c4)C3)[nH]c2c1 ZINC000458499338 823048071 /nfs/dbraw/zinc/04/80/71/823048071.db2.gz WFDSWFPYTIMTIE-UHFFFAOYSA-N 0 1 388.393 4.199 20 0 GIADMN CCOc1c(F)cccc1C(=O)N1CCC[C@@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000175833992 823050676 /nfs/dbraw/zinc/05/06/76/823050676.db2.gz YVGSNGGBJGAKJV-OAHLLOKOSA-N 0 1 381.451 4.429 20 0 GIADMN C[C@H]1CC(C)(C)CC[C@H]1NC(=O)N(C)C1CCN(CCC(F)(F)F)CC1 ZINC000458526670 823051136 /nfs/dbraw/zinc/05/11/36/823051136.db2.gz WJEVTZWABXKDLT-GOEBONIOSA-N 0 1 377.495 4.259 20 0 GIADMN CCC[C@H](C)c1cc(NS(=O)(=O)Cc2ccc(Br)cc2)n[nH]1 ZINC000570589291 823058498 /nfs/dbraw/zinc/05/84/98/823058498.db2.gz UVZBYYNNDYPRNV-NSHDSACASA-N 0 1 386.315 4.018 20 0 GIADMN CCCCCN(C)c1ccc(F)cc1CN1CCC(O[C@H]2CCOC2)CC1 ZINC000570576977 823056466 /nfs/dbraw/zinc/05/64/66/823056466.db2.gz RBLAIGKVXSNDCC-NRFANRHFSA-N 0 1 378.532 4.222 20 0 GIADMN C[N@@H+](CCCOc1cccc2ccccc21)Cc1ccc(OCC(=O)[O-])cc1 ZINC000570576886 823056481 /nfs/dbraw/zinc/05/64/81/823056481.db2.gz MNUIXLRSPFESSY-UHFFFAOYSA-N 0 1 379.456 4.204 20 0 GIADMN C[C@H](NCc1ccc(-c2ccccc2)o1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000120755214 823057866 /nfs/dbraw/zinc/05/78/66/823057866.db2.gz ISLKAFDJPKHQBE-KRWDZBQOSA-N 0 1 390.483 4.455 20 0 GIADMN CC[C@@H](NCc1cc(Br)cc(Br)c1N)c1ccncc1 ZINC000187410247 823057889 /nfs/dbraw/zinc/05/78/89/823057889.db2.gz FVCMDKPHRZCZBT-CQSZACIVSA-N 0 1 399.130 4.430 20 0 GIADMN C[C@@H](NCc1ccc(OCc2ccccc2F)nc1)c1ccc2c(c1)OCO2 ZINC000187409996 823057930 /nfs/dbraw/zinc/05/79/30/823057930.db2.gz GNVBQNJQMNYITC-OAHLLOKOSA-N 0 1 380.419 4.379 20 0 GIADMN CC(C)[C@H]1N(C(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)CC12CCCC2 ZINC000458584322 823059649 /nfs/dbraw/zinc/05/96/49/823059649.db2.gz UNFXJCFXADHSHZ-GHTZIAJQSA-N 0 1 384.568 4.217 20 0 GIADMN Cc1nn(-c2ccc(Br)cc2)cc1CN(C)CCc1ccccn1 ZINC000120777653 823061913 /nfs/dbraw/zinc/06/19/13/823061913.db2.gz ZSZHLBYUWYZCQG-UHFFFAOYSA-N 0 1 385.309 4.013 20 0 GIADMN Cc1cccc2nc(CCC(=O)N3CCC(OCCc4ccccc4)CC3)[nH]c21 ZINC000175878575 823062340 /nfs/dbraw/zinc/06/23/40/823062340.db2.gz IAUSFOSIPGIKON-UHFFFAOYSA-N 0 1 391.515 4.054 20 0 GIADMN CN1CC[C@@H](CNC(=O)N2CC(C(C)(C)C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000458613636 823063878 /nfs/dbraw/zinc/06/38/78/823063878.db2.gz JDZUUPZLIQRVPT-KBXCAEBGSA-N 0 1 381.923 4.159 20 0 GIADMN CC(C)c1nc(CNC(=O)N[C@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)n[nH]1 ZINC000458617312 823064485 /nfs/dbraw/zinc/06/44/85/823064485.db2.gz ZZQIBIAOYZIIHI-HIFRSBDPSA-N 0 1 395.429 4.082 20 0 GIADMN CC(C)c1nc(CNC(=O)N[C@@H]2CCC[C@H]2c2ccccc2C(F)(F)F)n[nH]1 ZINC000458617311 823064592 /nfs/dbraw/zinc/06/45/92/823064592.db2.gz ZZQIBIAOYZIIHI-DZGCQCFKSA-N 0 1 395.429 4.082 20 0 GIADMN Cc1cc(C)c(C[N@H+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])c(OCc2ccccc2)n1 ZINC000570638979 823065345 /nfs/dbraw/zinc/06/53/45/823065345.db2.gz OGAXTHMQIIPICR-FCEUIQTBSA-N 0 1 394.515 4.495 20 0 GIADMN O=C(CCCCCc1ccc(F)cc1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000187449654 823065852 /nfs/dbraw/zinc/06/58/52/823065852.db2.gz RIQGMUDQBYICJT-GOSISDBHSA-N 0 1 384.499 4.330 20 0 GIADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1ccc(Oc2ccccc2)o1 ZINC000175908253 823069840 /nfs/dbraw/zinc/06/98/40/823069840.db2.gz PUVPPAKLZSHNCH-UHFFFAOYSA-N 0 1 391.471 4.384 20 0 GIADMN N#CC(C(=O)CC1(CSc2ccccc2)CC1)c1nnc2n1CCCCC2 ZINC000187484912 823073217 /nfs/dbraw/zinc/07/32/17/823073217.db2.gz UIWSCQVIZMWJLM-KRWDZBQOSA-N 0 1 380.517 4.143 20 0 GIADMN Cc1cnc([C@@H](NC[C@H](O)c2ccc(F)c(Br)c2)C2CC2)s1 ZINC000187488657 823073751 /nfs/dbraw/zinc/07/37/51/823073751.db2.gz WNSPCOLCLPWFNB-GJZGRUSLSA-N 0 1 385.302 4.127 20 0 GIADMN Cc1cc(CN2CCSCC2)ccc1NC(=O)c1ccc(N(C)C)cc1F ZINC000120840556 823074572 /nfs/dbraw/zinc/07/45/72/823074572.db2.gz LTRNEJGYMUAYPZ-UHFFFAOYSA-N 0 1 387.524 4.001 20 0 GIADMN O=C(c1cc(C2CC2)nc2ccccc21)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000120847404 823075849 /nfs/dbraw/zinc/07/58/49/823075849.db2.gz XDCSQTRNVKARAK-MRXNPFEDSA-N 0 1 387.487 4.128 20 0 GIADMN CCN(CCNC(=O)N[C@H]1CCCC[C@H]1CC(F)(F)F)CCC(F)(F)F ZINC000458704435 823076435 /nfs/dbraw/zinc/07/64/35/823076435.db2.gz AQEHPQJQRAZLBS-STQMWFEESA-N 0 1 391.400 4.071 20 0 GIADMN COc1ccccc1C[C@@H]1CCCN1C(=O)CCc1nc2cccc(C)c2[nH]1 ZINC000175941316 823077679 /nfs/dbraw/zinc/07/76/79/823077679.db2.gz WYIRTVCABGMKDK-SFHVURJKSA-N 0 1 377.488 4.046 20 0 GIADMN CC1(C)OCc2cc(CN3CCC[C@H](n4ccc(C(F)(F)F)n4)C3)ccc2O1 ZINC000187514167 823078710 /nfs/dbraw/zinc/07/87/10/823078710.db2.gz BYPIIEDWOKRFTD-INIZCTEOSA-N 0 1 395.425 4.384 20 0 GIADMN CCOc1ccc2c(c1)[C@@H](NCc1ccc(Oc3cnccn3)cc1)CCO2 ZINC000187548972 823086706 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COc1cccc(C(=O)N2CCCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)c1O ZINC000457389845 822872198 /nfs/dbraw/zinc/87/21/98/822872198.db2.gz YHMPQWYOOKSQJF-INIZCTEOSA-N 0 1 385.851 4.298 20 0 GIADMN O=c1[nH]c(CCN2CCC[C@H]2c2cccc(Br)c2)nc2ccccc21 ZINC000054271550 822872230 /nfs/dbraw/zinc/87/22/30/822872230.db2.gz ZWDDBRCRNXEMQQ-SFHVURJKSA-N 0 1 398.304 4.065 20 0 GIADMN CCN1CCN(c2ccc(-c3noc(CC[C@@H](C)c4ccccc4)n3)cn2)CC1 ZINC000569045892 822872889 /nfs/dbraw/zinc/87/28/89/822872889.db2.gz PNRUZJZJABIDNB-GOSISDBHSA-N 0 1 391.519 4.010 20 0 GIADMN CCC[C@H]1CCCCN1C(=O)Nc1ccc(N2CCN(C)CC2)cc1OCC ZINC000186304636 822873703 /nfs/dbraw/zinc/87/37/03/822873703.db2.gz YIOVYQKIAGAFRL-SFHVURJKSA-N 0 1 388.556 4.024 20 0 GIADMN O=C(NC[C@@H](c1ccco1)N1CCCCC1)N1CC2(CCC2)[C@H]1c1ccco1 ZINC000457451589 822876084 /nfs/dbraw/zinc/87/60/84/822876084.db2.gz RALPNUCLZRYYEC-FXAWDEMLSA-N 0 1 383.492 4.336 20 0 GIADMN Cc1ccc2nc([C@@H]3CCCN3C(=O)c3ccc(O[C@@H]4CCOC4)cc3)[nH]c2c1 ZINC000569068159 822876242 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Cc1ccc(CN(C)C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)cc1 ZINC000054393612 822881656 /nfs/dbraw/zinc/88/16/56/822881656.db2.gz BBALOYZSAXTUIN-UHFFFAOYSA-N 0 1 385.939 4.454 20 0 GIADMN CC(C)[C@H](NC(=O)N(C)C1CCN(CCC(F)(F)F)CC1)c1ccccc1 ZINC000457504978 822883186 /nfs/dbraw/zinc/88/31/86/822883186.db2.gz BGZZPXZRWQGAJO-SFHVURJKSA-N 0 1 385.474 4.442 20 0 GIADMN Cc1c(N[C@@H](C)c2cc(Br)cc(Br)c2O)cnn1C ZINC000186368922 822883193 /nfs/dbraw/zinc/88/31/93/822883193.db2.gz FYILIPPKKOLXCL-ZETCQYMHSA-N 0 1 389.091 4.132 20 0 GIADMN O=C(NCCc1nnc(-c2ccccc2)[nH]1)c1ccc(Cl)cc1C(F)(F)F ZINC000186376680 822884443 /nfs/dbraw/zinc/88/44/43/822884443.db2.gz OGAGQNBGMDTFPY-UHFFFAOYSA-N 0 1 394.784 4.116 20 0 GIADMN O=C(CSc1n[nH]c(=S)s1)N[C@@H]1CCCC[C@H]1Cc1ccccc1 ZINC000175121109 822886322 /nfs/dbraw/zinc/88/63/22/822886322.db2.gz DNRBGZGSRXMGKX-UONOGXRCSA-N 0 1 379.576 4.210 20 0 GIADMN CCOCCOc1cc(C)ccc1CNCc1ccc2c(c1)COC(C)(C)O2 ZINC000186397735 822887785 /nfs/dbraw/zinc/88/77/85/822887785.db2.gz QMJUUHJCWNBNBV-UHFFFAOYSA-N 0 1 385.504 4.345 20 0 GIADMN C[C@H](NC(=O)CSc1n[nH]c(=S)s1)c1nc(-c2ccccc2)cs1 ZINC000175136701 822889816 /nfs/dbraw/zinc/88/98/16/822889816.db2.gz ZKCLEWJOLVDNLE-VIFPVBQESA-N 0 1 394.572 4.294 20 0 GIADMN CN1CCN(c2ccc(NC(=O)C3CC(C(C)(C)C)C3)c(C(F)(F)F)c2)CC1 ZINC000457554579 822890414 /nfs/dbraw/zinc/89/04/14/822890414.db2.gz OTQIXKYPSDMELN-UHFFFAOYSA-N 0 1 397.485 4.468 20 0 GIADMN CN(C(=O)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)C1CCN(CCC(F)(F)F)CC1 ZINC000457594085 822895770 /nfs/dbraw/zinc/89/57/70/822895770.db2.gz ZZVMFQRYLKZMLB-GVDBMIGSSA-N 0 1 389.506 4.404 20 0 GIADMN Cn1cccc1[C@@H]1CCCCN1C(=O)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000175166821 822896377 /nfs/dbraw/zinc/89/63/77/822896377.db2.gz TZHKRUVLGJHETP-PMACEKPBSA-N 0 1 384.524 4.082 20 0 GIADMN Cc1oc2ccc(NC(=O)NC3CCN(Cc4ccncc4)CC3)cc2c1C ZINC000186453466 822898130 /nfs/dbraw/zinc/89/81/30/822898130.db2.gz HZBMGGIHOTTYSD-UHFFFAOYSA-N 0 1 378.476 4.231 20 0 GIADMN O=C(CCSc1cccc(Cl)c1)NC[C@@H](c1ccco1)N1CCCC1 ZINC000569263996 822898151 /nfs/dbraw/zinc/89/81/51/822898151.db2.gz TWEOCXPSVJCEEC-KRWDZBQOSA-N 0 1 378.925 4.369 20 0 GIADMN O=C(NC1CCN(Cc2ccccn2)CC1)N1CCCC2(C1)CCCCCC2 ZINC000175177616 822898237 /nfs/dbraw/zinc/89/82/37/822898237.db2.gz MKTILZFSWZEPEH-UHFFFAOYSA-N 0 1 384.568 4.192 20 0 GIADMN CC(C)[C@H]1N(C(=O)NC2CCN(Cc3ccccn3)CC2)CC12CCCCC2 ZINC000457635961 822899397 /nfs/dbraw/zinc/89/93/97/822899397.db2.gz JPFGRAAKALGIDF-OAQYLSRUSA-N 0 1 384.568 4.046 20 0 GIADMN Cn1c(CN[C@H](C[C@H]2CCOC2)c2ccccc2)nnc1-c1ccc(Cl)cc1 ZINC000186465173 822899785 /nfs/dbraw/zinc/89/97/85/822899785.db2.gz QWGPDQGUQNTERR-OXQOHEQNSA-N 0 1 396.922 4.393 20 0 GIADMN CC(C)(C)OC(=O)[C@@H]1CCN(C(=O)c2cccc3[nH]c(-c4cccs4)nc32)C1 ZINC000569294164 822902992 /nfs/dbraw/zinc/90/29/92/822902992.db2.gz KOBMPGBQGLJREP-CYBMUJFWSA-N 0 1 397.500 4.095 20 0 GIADMN CC(C)(C)C[C@@H](O)Cc1nc(-c2ccc3[nH]c(-c4cscn4)nc3c2)no1 ZINC000569299281 822903983 /nfs/dbraw/zinc/90/39/83/822903983.db2.gz BLCKTUPSSGCVRJ-LBPRGKRZSA-N 0 1 383.477 4.076 20 0 GIADMN CCc1cc2oc(=O)cc(CN3CCC[C@H](c4nc(C)no4)C3)c2cc1Cl ZINC000054676994 822904920 /nfs/dbraw/zinc/90/49/20/822904920.db2.gz KQPLRFUKKCLLPH-AWEZNQCLSA-N 0 1 387.867 4.080 20 0 GIADMN CC(=O)Nc1ccc(S[C@H](C)C(=O)C(C#N)c2nc3ccccc3o2)cc1 ZINC000054736776 822909397 /nfs/dbraw/zinc/90/93/97/822909397.db2.gz LOQMMEXHNKZBQL-WBMJQRKESA-N 0 1 379.441 4.143 20 0 GIADMN C[C@@H]1CCCN(C(=O)c2ccc(-n3[nH]c(Cc4ccccc4)cc3=O)cc2)[C@@H]1C ZINC000569344575 822909744 /nfs/dbraw/zinc/90/97/44/822909744.db2.gz ROCSVPVGLGRUOX-QZTJIDSGSA-N 0 1 389.499 4.283 20 0 GIADMN Cc1cc([C@H](C)NC(=O)N(C)C2CCN(CCC(F)(F)F)CC2)c(C)s1 ZINC000457723154 822910848 /nfs/dbraw/zinc/91/08/48/822910848.db2.gz DJJVPZFBOSYZQI-ZDUSSCGKSA-N 0 1 391.503 4.484 20 0 GIADMN Clc1ccc(COCCN[C@@H](c2nnc[nH]2)c2ccccc2)c(Cl)c1 ZINC000569385495 822914405 /nfs/dbraw/zinc/91/44/05/822914405.db2.gz BJAIGYNEMIGIJU-QGZVFWFLSA-N 0 1 377.275 4.007 20 0 GIADMN O=C(NCc1cc(-c2ccccc2)on1)c1cn[nH]c1-c1ccc(Cl)s1 ZINC000569392936 822915581 /nfs/dbraw/zinc/91/55/81/822915581.db2.gz GZNCBWHUSZYBSE-UHFFFAOYSA-N 0 1 384.848 4.377 20 0 GIADMN Nc1nc(CN2CC[C@@H](Cc3ccccc3)C2)nc2sc3c(c21)CCCC3 ZINC000569417444 822919755 /nfs/dbraw/zinc/91/97/55/822919755.db2.gz LZPPYJWWUTUUFC-INIZCTEOSA-N 0 1 378.545 4.217 20 0 GIADMN CCOc1ccc(CNC2(c3cccc(OC)c3F)CCOCC2)cc1OC ZINC000569423921 822921303 /nfs/dbraw/zinc/92/13/03/822921303.db2.gz QLXTXRXYFCXNQS-UHFFFAOYSA-N 0 1 389.467 4.037 20 0 GIADMN COc1ccccc1[C@H](CNC(=O)N(C)[C@@H](C)c1ccc(F)cc1)N1CCCC1 ZINC000054920507 822922316 /nfs/dbraw/zinc/92/23/16/822922316.db2.gz IDMRTXCTYMMULE-UWJYYQICSA-N 0 1 399.510 4.374 20 0 GIADMN COc1ccccc1[C@@H](CNC(=O)N(C)[C@H](C)c1ccccc1)N1CCCC1 ZINC000054920505 822922404 /nfs/dbraw/zinc/92/24/04/822922404.db2.gz JBLRRNNRKOQHTP-WIYYLYMNSA-N 0 1 381.520 4.235 20 0 GIADMN C[C@H]1CC[N@@H+](Cc2cccc(NC(=O)c3ccccc3Cl)c2)C[C@H]1C(=O)[O-] ZINC000569457061 822925558 /nfs/dbraw/zinc/92/55/58/822925558.db2.gz LERZAIXDKFFVOM-KBXCAEBGSA-N 0 1 386.879 4.135 20 0 GIADMN COc1cc(/C=C\c2nc(C3(N)CCC3)no2)cc(Cl)c1OCC(C)C ZINC000569483528 822928199 /nfs/dbraw/zinc/92/81/99/822928199.db2.gz QDFSSPBLFXRZBA-WAYWQWQTSA-N 0 1 377.872 4.275 20 0 GIADMN Cc1c2cc(Cl)ccc2oc1C(=O)NCc1n[nH]c(COc2ccccc2)n1 ZINC000186659888 822931517 /nfs/dbraw/zinc/93/15/17/822931517.db2.gz ZYLAIHPLVSJIKQ-UHFFFAOYSA-N 0 1 396.834 4.022 20 0 GIADMN CN(CCc1ccc(F)cc1)Cc1nnc(-c2ccccc2Br)o1 ZINC000055023294 822931862 /nfs/dbraw/zinc/93/18/62/822931862.db2.gz ZJDJYOZCFCHLHF-UHFFFAOYSA-N 0 1 390.256 4.313 20 0 GIADMN CN1CC[C@H](N[C@@H](C(=O)Nc2ccccc2)c2ccccc2)[C@H]1c1ccccc1 ZINC000569533226 822935693 /nfs/dbraw/zinc/93/56/93/822935693.db2.gz FJIQGISFXQDQLS-RBZQAINGSA-N 0 1 385.511 4.401 20 0 GIADMN Cc1ccc2nc([C@@H]3CCCN(C(=O)c4ccc(Br)nc4)C3)[nH]c2c1 ZINC000175334529 822938403 /nfs/dbraw/zinc/93/84/03/822938403.db2.gz MFWIISDAKJYHNA-CQSZACIVSA-N 0 1 399.292 4.049 20 0 GIADMN CC(C)c1nc2c([nH]1)CC[C@H](C(=O)NCC1(Cc3cccc(Cl)c3)CC1)C2 ZINC000569551078 822938964 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COc1ccccc1S(=O)(=O)CCCN[C@H](C)c1ccc(F)cc1Cl ZINC000184308514 822612089 /nfs/dbraw/zinc/61/20/89/822612089.db2.gz UCQHQMSJOHRXNI-CYBMUJFWSA-N 0 1 385.888 4.002 20 0 GIADMN C[C@@H](C(=O)Nc1cccc(CN2CCSCC2)c1)c1cn(C)c2ccccc12 ZINC000184311602 822612691 /nfs/dbraw/zinc/61/26/91/822612691.db2.gz CLWSBSWCLKOHOV-QGZVFWFLSA-N 0 1 393.556 4.469 20 0 GIADMN C[C@@H](NC(=O)NC[C@@H](c1cccs1)N(C)C)c1cccc(OC(F)F)c1 ZINC000047832234 822613221 /nfs/dbraw/zinc/61/32/21/822613221.db2.gz QNYNZTZMEDXNRB-DOMZBBRYSA-N 0 1 383.464 4.013 20 0 GIADMN CN(C)[C@@H](CNC(=O)Nc1cc(F)c(N2CCCC2)c(F)c1)c1cccs1 ZINC000047860966 822614642 /nfs/dbraw/zinc/61/46/42/822614642.db2.gz JEXNLJHRQPMBIB-INIZCTEOSA-N 0 1 394.491 4.051 20 0 GIADMN C[C@@H](NC(=O)NC[C@H](c1ccco1)N1CCCC1)c1ccc(OC(F)F)cc1 ZINC000047871763 822615624 /nfs/dbraw/zinc/61/56/24/822615624.db2.gz VSVHYAVSOPPOCQ-RHSMWYFYSA-N 0 1 393.434 4.078 20 0 GIADMN COc1ccc2oc([C@H](C)NCC(=O)N(C)Cc3ccccc3OC)c(C)c2c1 ZINC000184329277 822616073 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FYLXIRMFRRKKOS-OAHLLOKOSA-N 0 1 398.580 4.433 20 0 GIADMN Cc1ccc2nc(N3CCn4c(CN(C)C(C)C)cnc4[C@@H]3C)c(Cl)nc2c1 ZINC001164860477 720955717 /nfs/dbraw/zinc/95/57/17/720955717.db2.gz QBEIDGHVTLIKHI-HNNXBMFYSA-N 0 1 398.942 4.210 20 0 GIADMN Cc1nc2cc(Cl)ccc2c(N2CCn3c(CN(C)C(C)C)cnc3[C@@H]2C)n1 ZINC001164856134 720963410 /nfs/dbraw/zinc/96/34/10/720963410.db2.gz AVZXPPQFIPXKBJ-AWEZNQCLSA-N 0 1 398.942 4.210 20 0 GIADMN Cc1nc(N2CCn3c(CN(C)C(C)C)cnc3[C@H]2C)c(Cl)cc1Cl ZINC001164856270 720993068 /nfs/dbraw/zinc/99/30/68/720993068.db2.gz AMEKOLDWBOYPGC-CYBMUJFWSA-N 0 1 382.339 4.315 20 0 GIADMN F[C@H](Oc1cccc(Cl)n1)N1CC(c2ncn3cc(-c4ccoc4)ccc23)C1 ZINC001165015948 721767450 /nfs/dbraw/zinc/76/74/50/721767450.db2.gz UCPGFZASQJKICZ-FQEVSTJZSA-N 0 1 398.825 4.374 20 0 GIADMN COc1cccc(OC)c1CN1CCC(N(C)c2cc3ccccc3cn2)CC1 ZINC001165019255 721838896 /nfs/dbraw/zinc/83/88/96/721838896.db2.gz BPWNSYDIWXCXSD-UHFFFAOYSA-N 0 1 391.515 4.353 20 0 GIADMN FC(F)(c1cc(Cl)nc(-c2ccccc2)n1)N1CCN(C2CCCC2)CC1 ZINC001165028098 721857457 /nfs/dbraw/zinc/85/74/57/721857457.db2.gz JKMLRSXPUBVRTB-UHFFFAOYSA-N 0 1 392.881 4.407 20 0 GIADMN Fc1cccc(CN2CC[C@@]23CCCN(c2ncc4cc(F)ccc4n2)C3)c1 ZINC001164996671 722205476 /nfs/dbraw/zinc/20/54/76/722205476.db2.gz VCPCQGLYHBTVRW-JOCHJYFZSA-N 0 1 380.442 4.153 20 0 GIADMN COc1nc(N2CCC[C@@]3(CCN3Cc3cccc(F)c3)C2)ccc1Cl ZINC001164995986 722205837 /nfs/dbraw/zinc/20/58/37/722205837.db2.gz RCYXYVVETOUWBP-HXUWFJFHSA-N 0 1 375.875 4.128 20 0 GIADMN CCCOc1ccccc1[C@@H](CC(C)C)NC(=O)NCc1n[nH]c(C2CC2)n1 ZINC000458517180 823049934 /nfs/dbraw/zinc/04/99/34/823049934.db2.gz RVDBFDRAHQFPBM-QGZVFWFLSA-N 0 1 385.512 4.058 20 0 GIADMN CN(C(=O)c1ccc(NC(=O)c2coc(CN)c2)cc1Cl)C1CCCCC1 ZINC000187363827 823050334 /nfs/dbraw/zinc/05/03/34/823050334.db2.gz QQPCICRKUWNAIL-UHFFFAOYSA-N 0 1 389.883 4.049 20 0 GIADMN CCOc1cccc(S(=O)(=O)Nc2cccc(Cl)c2OCC(F)F)c1 ZINC000570557263 823054293 /nfs/dbraw/zinc/05/42/93/823054293.db2.gz KIIPKJGVWADCFI-UHFFFAOYSA-N 0 1 391.823 4.183 20 0 GIADMN Cn1c(CN2CCC[C@H]2C[C@H](O)c2cccs2)nc2cc(Cl)ccc21 ZINC000175846279 823053793 /nfs/dbraw/zinc/05/37/93/823053793.db2.gz ONHNLBRJHFGGTQ-YOEHRIQHSA-N 0 1 375.925 4.376 20 0 GIADMN COc1ccccc1NC(=O)CN1CCCCC[C@H]1C[C@H](O)c1cccs1 ZINC000175864869 823058708 /nfs/dbraw/zinc/05/87/08/823058708.db2.gz FIBVAEUREQBKKS-WMZOPIPTSA-N 0 1 388.533 4.064 20 0 GIADMN C[C@H](c1ccncc1)N1CCC(NC(=O)N2CC(c3ccc(Cl)cc3)C2)CC1 ZINC000458586124 823059815 /nfs/dbraw/zinc/05/98/15/823059815.db2.gz VGCJTMYXZQAJPL-MRXNPFEDSA-N 0 1 398.938 4.069 20 0 GIADMN O=C(C[C@@H](c1ccccc1)C(F)(F)F)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000120770661 823060608 /nfs/dbraw/zinc/06/06/08/823060608.db2.gz DQPDWGVKQKZNEB-HOTGVXAUSA-N 0 1 392.425 4.124 20 0 GIADMN Cc1cccc(NC(=O)NCc2ccc(F)c(CN(C)C)c2)c1Br ZINC000120774444 823061441 /nfs/dbraw/zinc/06/14/41/823061441.db2.gz KUKLBPQGHKTWDY-UHFFFAOYSA-N 0 1 394.288 4.280 20 0 GIADMN CN1CC[C@H](CNC(=O)N2CC(C(C)(C)C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000458613646 823063698 /nfs/dbraw/zinc/06/36/98/823063698.db2.gz JDZUUPZLIQRVPT-RDTXWAMCSA-N 0 1 381.923 4.159 20 0 GIADMN Cc1ccc(-c2cc(C(=O)N(C)CC(=O)Nc3c(C)cccc3C)n[nH]2)c(C)c1 ZINC000187459408 823067609 /nfs/dbraw/zinc/06/76/09/823067609.db2.gz VZRHIFMVZGWZCO-UHFFFAOYSA-N 0 1 390.487 4.021 20 0 GIADMN CC(C)c1nc(CNC(=O)N[C@H](C)c2ccc(-c3ccc(F)cc3)cc2)n[nH]1 ZINC000458615026 823064016 /nfs/dbraw/zinc/06/40/16/823064016.db2.gz XIDFBRUOQSDPCQ-CQSZACIVSA-N 0 1 381.455 4.295 20 0 GIADMN CC(C)c1csc(C(C#N)C(=O)c2coc(CNC(=O)OC(C)(C)C)c2)n1 ZINC000187443606 823065064 /nfs/dbraw/zinc/06/50/64/823065064.db2.gz BVPGAEDJQAFCBS-AWEZNQCLSA-N 0 1 389.477 4.374 20 0 GIADMN CN1CC[C@@H](CNC(=O)NC2(C3(C)CC3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000458629271 823066537 /nfs/dbraw/zinc/06/65/37/823066537.db2.gz WSUOCSXBAOCTMW-YOEHRIQHSA-N 0 1 379.907 4.104 20 0 GIADMN CC(C)(C)[C@H](NC(=O)NC1CCN(Cc2ccncc2)CC1)c1cccc(F)c1 ZINC000175912999 823071181 /nfs/dbraw/zinc/07/11/81/823071181.db2.gz QPUTYBIFPXLBJF-OAQYLSRUSA-N 0 1 398.526 4.272 20 0 GIADMN N#CC(C(=O)CCCc1cccc(C(F)(F)F)c1)c1nnc2n1CCCCC2 ZINC000187485091 823073250 /nfs/dbraw/zinc/07/32/50/823073250.db2.gz VGAGBAUTRGOZGP-INIZCTEOSA-N 0 1 390.409 4.222 20 0 GIADMN C[C@@H](NC(=O)c1cc(F)ccc1-c1cccc(C(F)(F)F)c1)c1nnc[nH]1 ZINC000175937545 823076934 /nfs/dbraw/zinc/07/69/34/823076934.db2.gz YENJCOGGANOAOX-SNVBAGLBSA-N 0 1 378.329 4.121 20 0 GIADMN CC(C)[C@@H](N[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(F)cc1F ZINC000120836960 823074119 /nfs/dbraw/zinc/07/41/19/823074119.db2.gz FIGOLWMWTSLUHV-VBKZILBWSA-N 0 1 396.503 4.263 20 0 GIADMN O=C(CO[C@H]1CCCc2ccccc21)Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1 ZINC000570756414 823081481 /nfs/dbraw/zinc/08/14/81/823081481.db2.gz CRXADVNPLKOEAO-LEWJYISDSA-N 0 1 391.471 4.447 20 0 GIADMN CC1(C)OCc2cc(CN3CCC[C@@H](n4ccc(C(F)(F)F)n4)C3)ccc2O1 ZINC000187514191 823078608 /nfs/dbraw/zinc/07/86/08/823078608.db2.gz BYPIIEDWOKRFTD-MRXNPFEDSA-N 0 1 395.425 4.384 20 0 GIADMN CCC[C@H](N[C@@H](C)c1ccc(S(=O)(=O)NC)cc1)c1ccc(F)cc1F ZINC000120894361 823083098 /nfs/dbraw/zinc/08/30/98/823083098.db2.gz ZQRSGTWLYCRMCM-DJJJIMSYSA-N 0 1 382.476 4.065 20 0 GIADMN O=C(Nc1cccc(OCCc2ccccc2)c1)c1cc(=O)c2ccccc2[nH]1 ZINC000056093681 823083378 /nfs/dbraw/zinc/08/33/78/823083378.db2.gz FZRRBXBKMHWDGO-UHFFFAOYSA-N 0 1 384.435 4.402 20 0 GIADMN c1csc(-c2ncc(CN3CCC(c4nnc5ccccn54)CC3)s2)c1 ZINC000120917639 823086489 /nfs/dbraw/zinc/08/64/89/823086489.db2.gz OFSZYZYYNZQZJK-UHFFFAOYSA-N 0 1 381.530 4.294 20 0 GIADMN C[C@H](NC[C@](C)(O)c1ccccc1Cl)c1ncc(Br)cc1F ZINC000187553789 823087628 /nfs/dbraw/zinc/08/76/28/823087628.db2.gz JVGZXJVOUNHEGZ-QFYYESIMSA-N 0 1 387.680 4.195 20 0 GIADMN COc1cccc([C@H](CNC(=O)c2[nH]c3ccccc3c2Cl)N2CCCC2)c1 ZINC000056144429 823087901 /nfs/dbraw/zinc/08/79/01/823087901.db2.gz BLGCHQZRJMNINC-IBGZPJMESA-N 0 1 397.906 4.397 20 0 GIADMN CCCN(C(=O)CCc1nc2cccc(C)c2[nH]1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000175981840 823088203 /nfs/dbraw/zinc/08/82/03/823088203.db2.gz LPBBKYPYTOYNBR-KRWDZBQOSA-N 0 1 392.503 4.070 20 0 GIADMN CC[C@]1(CO)CCCN([C@@H](C)C(=O)Nc2ccccc2Cc2ccccc2)C1 ZINC000187562148 823088926 /nfs/dbraw/zinc/08/89/26/823088926.db2.gz CSYHTCZLGHQOJH-CYFREDJKSA-N 0 1 380.532 4.089 20 0 GIADMN CC(C)c1nc([C@@H](C)NC(=O)NCC[C@H](c2ccccc2)C(F)(F)F)n[nH]1 ZINC000458823035 823092376 /nfs/dbraw/zinc/09/23/76/823092376.db2.gz WDMSJYOPPRIWKW-TZMCWYRMSA-N 0 1 383.418 4.025 20 0 GIADMN CCOc1ccc(NC(=O)[C@H](C)N[C@H](C)c2cc(OC)c(OC)cc2C)cc1 ZINC000056154058 823090291 /nfs/dbraw/zinc/09/02/91/823090291.db2.gz HZDGRIIEGKUSCV-CVEARBPZSA-N 0 1 386.492 4.089 20 0 GIADMN CC[C@H](C)c1nc([C@H](C)NC(=O)NCC[C@H](c2ccccc2)C(F)(F)F)n[nH]1 ZINC000458824574 823092477 /nfs/dbraw/zinc/09/24/77/823092477.db2.gz YLVSTIKXMKRNDL-KCQAQPDRSA-N 0 1 397.445 4.415 20 0 GIADMN COCc1cc([C@@H](C)NCc2ccc(Br)cc2OC)ccc1OC ZINC000187573463 823090764 /nfs/dbraw/zinc/09/07/64/823090764.db2.gz INYJQJZISNNJRN-CYBMUJFWSA-N 0 1 394.309 4.464 20 0 GIADMN COc1ccc(Br)c(NC(=O)CCc2nc3cccc(C)c3[nH]2)c1 ZINC000175995165 823091287 /nfs/dbraw/zinc/09/12/87/823091287.db2.gz RHOAYMXJBUFUAS-UHFFFAOYSA-N 0 1 388.265 4.214 20 0 GIADMN CCc1[nH]n(Cc2ccccc2C)c(=O)c1CCNC(=O)C1=CCC(C)(C)CC1 ZINC000570824639 823092012 /nfs/dbraw/zinc/09/20/12/823092012.db2.gz SWZLCJIXKXDGME-FQEVSTJZSA-N 0 1 395.547 4.362 20 0 GIADMN Cc1ccc(NC(=O)[C@H](C)N[C@H](C)c2ccc(NC(=O)NC3CC3)cc2)cc1F ZINC000056159652 823092137 /nfs/dbraw/zinc/09/21/37/823092137.db2.gz OPKSRODEMNJNQL-CABCVRRESA-N 0 1 398.482 4.096 20 0 GIADMN CC(C)(C)C1CC(NC(=O)N[C@@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)C1 ZINC000458828698 823093482 /nfs/dbraw/zinc/09/34/82/823093482.db2.gz LHQPUJBFSDPYOY-YMAMQOFZSA-N 0 1 395.429 4.037 20 0 GIADMN COc1cc([C@H](C)N[C@H](C)C(=O)Nc2cc(C)no2)ccc1OCCC(C)C ZINC000056183176 823097912 /nfs/dbraw/zinc/09/79/12/823097912.db2.gz VUWKNCZKCLIEEZ-JKSUJKDBSA-N 0 1 389.496 4.094 20 0 GIADMN C[C@@H](Cc1ccc(Cl)cc1)N(C)Cc1nc2c3ccccc3oc2c(=O)[nH]1 ZINC000120998423 823100019 /nfs/dbraw/zinc/10/00/19/823100019.db2.gz HGIOBRDHPKZTKA-ZDUSSCGKSA-N 0 1 381.863 4.386 20 0 GIADMN O=C(NCCCC1CCOCC1)N1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000458889735 823102264 /nfs/dbraw/zinc/10/22/64/823102264.db2.gz RTLVVXFJKQICMM-GOSISDBHSA-N 0 1 390.915 4.270 20 0 GIADMN O=C(NCc1coc(-c2cccs2)n1)c1cn[nH]c1-c1ccc(Cl)s1 ZINC000187644588 823103965 /nfs/dbraw/zinc/10/39/65/823103965.db2.gz MTPCUOLZGUJNLC-UHFFFAOYSA-N 0 1 390.877 4.438 20 0 GIADMN Cc1ccccc1[C@@H](CC(C)C)NC(=O)Nc1cc(C(N)=O)ccc1CN(C)C ZINC000176040988 823104122 /nfs/dbraw/zinc/10/41/22/823104122.db2.gz QKQBVTNATXLKQW-OAQYLSRUSA-N 0 1 396.535 4.064 20 0 GIADMN Cc1ccc2[nH]cc(CCC(=O)Nc3cccc4c3OCC[C@@H]4N(C)C)c2c1 ZINC000570896645 823104482 /nfs/dbraw/zinc/10/44/82/823104482.db2.gz JEFLPTWIEOYXIY-NRFANRHFSA-N 0 1 377.488 4.433 20 0 GIADMN Cc1c2cccc(Cl)c2oc1C(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000121025559 823104995 /nfs/dbraw/zinc/10/49/95/823104995.db2.gz ASFUYNHRJHJIKS-ZDUSSCGKSA-N 0 1 384.867 4.410 20 0 GIADMN O=C(NC1CCN(Cc2ccccc2Oc2cccnc2)CC1)c1ccccc1 ZINC000121026135 823105066 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GIADMN Cc1csc([C@H](NC[C@H](O)COc2c(Cl)cccc2Cl)C2CC2)n1 ZINC000183530801 822490720 /nfs/dbraw/zinc/49/07/20/822490720.db2.gz YTJXOHKAHYBQTF-SWLSCSKDSA-N 0 1 387.332 4.239 20 0 GIADMN O=C(Nc1cccc(OCC(F)(F)F)c1)c1ccc(Br)c(O)c1 ZINC000179495310 822490954 /nfs/dbraw/zinc/49/09/54/822490954.db2.gz MJICYJYNKZITSS-UHFFFAOYSA-N 0 1 390.155 4.348 20 0 GIADMN CC(C)n1c2ccccc2nc1[C@H]1CCCN(C(=O)c2cnccc2N(C)C)C1 ZINC000183569264 822496068 /nfs/dbraw/zinc/49/60/68/822496068.db2.gz QBYDPJNICHMKLT-KRWDZBQOSA-N 0 1 391.519 4.098 20 0 GIADMN CCn1nc(C)c(NC(=O)N2CCN(Cc3cccc4ccccc43)CC2)c1C ZINC000179535361 822499144 /nfs/dbraw/zinc/49/91/44/822499144.db2.gz OSHJWTSYLPHUOY-UHFFFAOYSA-N 0 1 391.519 4.023 20 0 GIADMN CCN(C[C@@H]1CCN(Cc2sc(C)nc2C(F)(F)F)C1)CC(F)(F)F ZINC000183602142 822499928 /nfs/dbraw/zinc/49/99/28/822499928.db2.gz YUOQDGOWPGDDMM-NSHDSACASA-N 0 1 389.409 4.176 20 0 GIADMN CC(C)Oc1cccc([C@H](O)CN[C@@H](c2ccccc2)c2ccc(F)cn2)c1 ZINC000183612556 822501214 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Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)NC[C@@H](c1cccs1)N(C)C ZINC000180294302 822657824 /nfs/dbraw/zinc/65/78/24/822657824.db2.gz MHSNLOFQLFJPLT-SJORKVTESA-N 0 1 389.569 4.018 20 0 GIADMN CCN(CC)Cc1ccc(C(=O)N(C)Cc2ccc(Br)cc2)o1 ZINC000048434470 822661688 /nfs/dbraw/zinc/66/16/88/822661688.db2.gz VHKUTLMKSGGLBH-UHFFFAOYSA-N 0 1 379.298 4.156 20 0 GIADMN CN(C)[C@H](CNC(=O)Nc1ccc(F)cc1Br)c1cccs1 ZINC000048451608 822662910 /nfs/dbraw/zinc/66/29/10/822662910.db2.gz YHHVXOAIDHOSHO-CYBMUJFWSA-N 0 1 386.290 4.074 20 0 GIADMN Cc1[nH]nc2cc(NC(=O)CSCc3coc(-c4ccccc4)n3)ccc12 ZINC000180330178 822664471 /nfs/dbraw/zinc/66/44/71/822664471.db2.gz HJHUDXYOVOPSCP-UHFFFAOYSA-N 0 1 378.457 4.398 20 0 GIADMN CSCC[C@H](NCCOc1cccc2ccccc21)c1nnc2ccccn21 ZINC000184606655 822664886 /nfs/dbraw/zinc/66/48/86/822664886.db2.gz DUDRGFKWECIQFP-IBGZPJMESA-N 0 1 392.528 4.345 20 0 GIADMN O=C1CCCCN1CC1CCN(Cc2c(Cl)cccc2N2CCCC2)CC1 ZINC000180337657 822666026 /nfs/dbraw/zinc/66/60/26/822666026.db2.gz JUWYQJBAGMTGOL-UHFFFAOYSA-N 0 1 389.971 4.165 20 0 GIADMN O=C(c1cc(-c2ccccc2)[nH]n1)N1CCC(C(=O)c2cc(F)ccc2F)CC1 ZINC000048477554 822666076 /nfs/dbraw/zinc/66/60/76/822666076.db2.gz BPZCPKUZXLYQSG-UHFFFAOYSA-N 0 1 395.409 4.090 20 0 GIADMN Clc1ccccc1[C@H](NCCc1nccs1)c1ccc2c(c1)OCCO2 ZINC000180341081 822666519 /nfs/dbraw/zinc/66/65/19/822666519.db2.gz CWJLNBHQQRKGJM-HXUWFJFHSA-N 0 1 386.904 4.489 20 0 GIADMN Cc1cc(CSc2ncccc2C(=O)Nc2ccc3c(C)[nH]nc3c2)no1 ZINC000180343353 822666718 /nfs/dbraw/zinc/66/67/18/822666718.db2.gz JGNHMEHKNLJNHA-UHFFFAOYSA-N 0 1 379.445 4.107 20 0 GIADMN Cc1c(NC(=O)NC[C@@H](c2ccco2)N2CCCC2)cccc1-c1ncco1 ZINC000455504071 822667450 /nfs/dbraw/zinc/66/74/50/822667450.db2.gz IWQHIRVHMSGDRS-SFHVURJKSA-N 0 1 380.448 4.202 20 0 GIADMN N#Cc1ccc(C/N=C/c2cc(Br)cc(Br)c2O)cc1 ZINC000048501882 822667735 /nfs/dbraw/zinc/66/77/35/822667735.db2.gz FWNILOQODHBJLE-DJKKODMXSA-N 0 1 394.066 4.408 20 0 GIADMN CC(C)Oc1ccc2ccccc2c1CN[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000184641428 822669783 /nfs/dbraw/zinc/66/97/83/822669783.db2.gz DAJOUODZRWWCKF-FPOVZHCZSA-N 0 1 375.534 4.072 20 0 GIADMN COc1ccc(-c2nc(Cc3noc(-c4cc(Cl)ccc4O)n3)co2)cc1 ZINC000180358961 822669854 /nfs/dbraw/zinc/66/98/54/822669854.db2.gz LYMHEOABFILBHI-UHFFFAOYSA-N 0 1 383.791 4.350 20 0 GIADMN CCCC[C@H](N[C@@H](C)c1c[nH]nc1C)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000180380270 822672914 /nfs/dbraw/zinc/67/29/14/822672914.db2.gz UZETZTLLJKWCNL-KKSFZXQISA-N 0 1 383.540 4.166 20 0 GIADMN Cc1ccc(-c2nc(CCN[C@H](c3cnn(C)c3)c3cccc(F)c3)co2)cc1 ZINC000180391936 822674882 /nfs/dbraw/zinc/67/48/82/822674882.db2.gz IYRARAWZHJGBIN-QFIPXVFZSA-N 0 1 390.462 4.444 20 0 GIADMN Cc1nc2n(n1)C[C@@H](N[C@@H](c1ccccc1)c1ccccc1Br)CC2 ZINC000180409819 822676885 /nfs/dbraw/zinc/67/68/85/822676885.db2.gz GEROCKSJXYIPAM-JXFKEZNVSA-N 0 1 397.320 4.043 20 0 GIADMN Cc1c(-c2cc(CN3CCC(Oc4ccccc4Cl)CC3)on2)cnn1C ZINC000184688994 822676867 /nfs/dbraw/zinc/67/68/67/822676867.db2.gz NLQDGVKHXNUDEL-UHFFFAOYSA-N 0 1 386.883 4.080 20 0 GIADMN C[NH+](C)C1CCN(c2ccc(NC(=O)c3ccc4ccccc4c3[O-])cc2)CC1 ZINC000180420176 822678668 /nfs/dbraw/zinc/67/86/68/822678668.db2.gz DMDRKBGXTPETQW-UHFFFAOYSA-N 0 1 389.499 4.328 20 0 GIADMN CCCC[C@H]1CCC[C@H]1NCc1nnc(C(=O)Nc2ccc(OC)cc2)s1 ZINC000184710421 822680331 /nfs/dbraw/zinc/68/03/31/822680331.db2.gz PBUYIUJKTXTVMB-WMLDXEAASA-N 0 1 388.537 4.248 20 0 GIADMN COc1cccc(OC)c1Oc1ccc(CNCc2ccc(F)c(F)c2)cn1 ZINC000048749633 822681181 /nfs/dbraw/zinc/68/11/81/822681181.db2.gz GAUGYYWAPNWPIU-UHFFFAOYSA-N 0 1 386.398 4.459 20 0 GIADMN C[C@H](NCc1ccc(Cl)c(Cl)c1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000048780194 822682605 /nfs/dbraw/zinc/68/26/05/822682605.db2.gz IOHUSTWEUBQAKY-LBPRGKRZSA-N 0 1 387.332 4.095 20 0 GIADMN Cc1ccc([C@H](CNC(=O)N[C@H](c2ccccc2)C(F)F)N2CCCC2)o1 ZINC000455604239 822682958 /nfs/dbraw/zinc/68/29/58/822682958.db2.gz TZZLTAPZBVFIEI-FUHWJXTLSA-N 0 1 377.435 4.031 20 0 GIADMN CC(C)(C)n1cc(CNCc2cccc(NC(=O)c3cccc(F)c3)c2)cn1 ZINC000048781575 822683084 /nfs/dbraw/zinc/68/30/84/822683084.db2.gz KXZJXNPVLWDIQW-UHFFFAOYSA-N 0 1 380.467 4.319 20 0 GIADMN CSCc1ccccc1NC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000184805876 822693374 /nfs/dbraw/zinc/69/33/74/822693374.db2.gz UFUZPPDNXQGIJK-INIZCTEOSA-N 0 1 384.549 4.292 20 0 GIADMN CSCc1ccccc1NC(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000184805899 822693395 /nfs/dbraw/zinc/69/33/95/822693395.db2.gz UFUZPPDNXQGIJK-MRXNPFEDSA-N 0 1 384.549 4.292 20 0 GIADMN Cn1cc([C@H](NC[C@H](O)c2ccc3ccccc3c2)c2cccc(F)c2)cn1 ZINC000180508942 822693578 /nfs/dbraw/zinc/69/35/78/822693578.db2.gz NEJDIAMSPMXVIF-XZOQPEGZSA-N 0 1 375.447 4.125 20 0 GIADMN C[C@@H](NC(=O)NC[C@H](c1ccsc1)N(C)C)c1cccc(OC(F)F)c1 ZINC000049195073 822694810 /nfs/dbraw/zinc/69/48/10/822694810.db2.gz VQLNNRCNCZYBKQ-MLGOLLRUSA-N 0 1 383.464 4.013 20 0 GIADMN C[C@@H](Cc1cccs1)NC(=O)N1CCC[C@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000184846468 822699570 /nfs/dbraw/zinc/69/95/70/822699570.db2.gz LJQGZAFTHSWOPL-RDJZCZTQSA-N 0 1 395.532 4.053 20 0 GIADMN Cc1cc(C(C#N)C(=O)CCCCc2ccc(Br)cc2)nc(C)n1 ZINC000049407493 822700334 /nfs/dbraw/zinc/70/03/34/822700334.db2.gz ZRODYKLNVGGMKF-QGZVFWFLSA-N 0 1 386.293 4.445 20 0 GIADMN O[C@@H](CN[C@@H](CC(F)(F)F)c1ccc(F)cc1)COCc1cccs1 ZINC000180569017 822703936 /nfs/dbraw/zinc/70/39/36/822703936.db2.gz QPZCHEHOXGATFS-HOCLYGCPSA-N 0 1 377.403 4.048 20 0 GIADMN C[C@@H]([NH2+][C@@H](C)c1cc(Br)ccc1[O-])c1ccc2c(c1)OCCO2 ZINC000184875183 822705131 /nfs/dbraw/zinc/70/51/31/822705131.db2.gz IXVCCOUWWPZLRS-NEPJUHHUSA-N 0 1 378.266 4.338 20 0 GIADMN C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)OCCO2)c1ccc(Br)cc1[O-] ZINC000184875492 822705421 /nfs/dbraw/zinc/70/54/21/822705421.db2.gz YUSHJHRYEFDOCT-NWDGAFQWSA-N 0 1 378.266 4.338 20 0 GIADMN Cc1ccc(CN(Cc2ccco2)C(=O)c2ccc(-c3nnc[nH]3)cc2)s1 ZINC000184882255 822706577 /nfs/dbraw/zinc/70/65/77/822706577.db2.gz DGBNFSDZEFXCKK-UHFFFAOYSA-N 0 1 378.457 4.277 20 0 GIADMN Cn1cc(NC(=O)NC[C@@H](c2ccco2)N2CCCCC2)c(C2CCCCC2)n1 ZINC000455707909 822708871 /nfs/dbraw/zinc/70/88/71/822708871.db2.gz FYKXZOCOCIHNPR-IBGZPJMESA-N 0 1 399.539 4.410 20 0 GIADMN COc1cccc(CN[C@@H](C)c2ccc(NC(=O)c3ccc(F)cc3)cc2)n1 ZINC000180601831 822709301 /nfs/dbraw/zinc/70/93/01/822709301.db2.gz MICDQURDDCYLOU-HNNXBMFYSA-N 0 1 379.435 4.332 20 0 GIADMN C[C@H](C(=O)NC[C@@H](c1ccco1)N1CCCCC1)c1cn(C)c2ccccc12 ZINC000184927350 822714430 /nfs/dbraw/zinc/71/44/30/822714430.db2.gz MFXVIHYAVSQNOI-UWJYYQICSA-N 0 1 379.504 4.218 20 0 GIADMN C[C@@H](C(=O)NC[C@@H](c1ccco1)N1CCCCC1)c1cn(C)c2ccccc12 ZINC000184927371 822714450 /nfs/dbraw/zinc/71/44/50/822714450.db2.gz MFXVIHYAVSQNOI-UTKZUKDTSA-N 0 1 379.504 4.218 20 0 GIADMN O=C(NC[C@H](c1ccco1)N1CCCCC1)Nc1ccc2c(c1)CCCC2=O ZINC000455725469 822714605 /nfs/dbraw/zinc/71/46/05/822714605.db2.gz BYNXYWIWFQRYOW-LJQANCHMSA-N 0 1 381.476 4.147 20 0 GIADMN CCCOc1ccc(C(=O)NC[C@@H](c2ccco2)N2CCCC2)cc1OCC ZINC000050040825 822715792 /nfs/dbraw/zinc/71/57/92/822715792.db2.gz KPLSPNTWHCJNRO-SFHVURJKSA-N 0 1 386.492 4.034 20 0 GIADMN C[C@H](NCC[C@@H]1CCOC1=O)c1nc(-c2ccc(Br)cc2)cs1 ZINC000184960027 822718719 /nfs/dbraw/zinc/71/87/19/822718719.db2.gz TWMNUDMVJXOBES-WCQYABFASA-N 0 1 395.322 4.176 20 0 GIADMN CSc1cccc(C)c1NC(=O)N[C@@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000184967359 822719472 /nfs/dbraw/zinc/71/94/72/822719472.db2.gz ABBHWPNLJVHERO-FUHWJXTLSA-N 0 1 384.549 4.144 20 0 GIADMN CSc1cccc(C)c1NC(=O)N[C@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000184967377 822719682 /nfs/dbraw/zinc/71/96/82/822719682.db2.gz ABBHWPNLJVHERO-WMZOPIPTSA-N 0 1 384.549 4.144 20 0 GIADMN CCOc1ccc(Cl)c(NC(=O)NCc2ccc(CN(C)C)c(F)c2)c1 ZINC000455757132 822720658 /nfs/dbraw/zinc/72/06/58/822720658.db2.gz ONZGLRPHVJQJJU-UHFFFAOYSA-N 0 1 379.863 4.261 20 0 GIADMN C[C@@H]([NH2+]C[C@@H]1CCN(c2ccccc2)C1)c1cc(Br)ccc1[O-] ZINC000184998032 822723626 /nfs/dbraw/zinc/72/36/26/822723626.db2.gz RNLYCQOTXCFKTF-CABCVRRESA-N 0 1 375.310 4.332 20 0 GIADMN O=C(CCCOc1ccccc1Cl)NC[C@@H](c1ccco1)N1CCCC1 ZINC000050290842 822723841 /nfs/dbraw/zinc/72/38/41/822723841.db2.gz VTEWADVNZPERDN-KRWDZBQOSA-N 0 1 376.884 4.045 20 0 GIADMN CCCN1CCN(c2ccc(NC(=O)[C@@H]3C[C@H]3c3cccnc3)cc2Cl)CC1 ZINC000050342969 822726806 /nfs/dbraw/zinc/72/68/06/822726806.db2.gz WSWZWNHOXHKXHC-RBUKOAKNSA-N 0 1 398.938 4.009 20 0 GIADMN CC[C@@H](C#N)Oc1cc(CNCc2sccc2Br)ccc1OC ZINC000185034988 822727688 /nfs/dbraw/zinc/72/76/88/822727688.db2.gz ZTJFUSCSXSHYQC-ZDUSSCGKSA-N 0 1 395.322 4.490 20 0 GIADMN COc1cc(C)c(Br)cc1NC(=O)c1cc(F)cc2[nH]cnc21 ZINC000185040100 822728163 /nfs/dbraw/zinc/72/81/63/822728163.db2.gz VAOKRDTZSYYJNU-UHFFFAOYSA-N 0 1 378.201 4.034 20 0 GIADMN COc1cc(NC(=O)Cc2n[nH]c3ccccc23)ccc1NC(=O)OC(C)(C)C ZINC000050584125 822734035 /nfs/dbraw/zinc/73/40/35/822734035.db2.gz XWNOFDUFAPDSMK-UHFFFAOYSA-N 0 1 396.447 4.100 20 0 GIADMN CCN(CC)c1ccc(C[NH2+][C@@H](C)c2ccc(Br)cc2[O-])cn1 ZINC000185085476 822734793 /nfs/dbraw/zinc/73/47/93/822734793.db2.gz OFWXXPPFDPCVNG-ZDUSSCGKSA-N 0 1 378.314 4.247 20 0 GIADMN CN(Cc1ccccc1NC(=O)Cc1n[nH]c2ccccc12)C(=O)OC(C)(C)C ZINC000050627696 822735031 /nfs/dbraw/zinc/73/50/31/822735031.db2.gz LRTSDUFAKISDBI-UHFFFAOYSA-N 0 1 394.475 4.111 20 0 GIADMN CC[C@@H](NC[C@@H](O)COc1ccc(Oc2ccccc2)cc1)c1nccs1 ZINC000185095135 822736456 /nfs/dbraw/zinc/73/64/56/822736456.db2.gz FABLDVMVRGKJGG-OXQOHEQNSA-N 0 1 384.501 4.416 20 0 GIADMN CCSCc1ccc(NC(=O)NC2CCN(Cc3ccccn3)CC2)cc1 ZINC000455862959 822739113 /nfs/dbraw/zinc/73/91/13/822739113.db2.gz PFFYIKCXRHGAOG-UHFFFAOYSA-N 0 1 384.549 4.121 20 0 GIADMN Cc1ccc(-c2cc(C(=O)Nc3cccc(CN4CCCCC4=O)c3)[nH]n2)cc1 ZINC000050796389 822739177 /nfs/dbraw/zinc/73/91/77/822739177.db2.gz HIGLIHHXUDVPOX-UHFFFAOYSA-N 0 1 388.471 4.150 20 0 GIADMN COc1cccc([C@@H](CNC(=O)Nc2scnc2C(C)C)N2CCCC2)c1 ZINC000455888547 822742884 /nfs/dbraw/zinc/74/28/84/822742884.db2.gz GLHABWKYEGOIIE-QGZVFWFLSA-N 0 1 388.537 4.234 20 0 GIADMN COc1ccccc1[C@H](CNC(=O)Nc1scnc1C(C)C)N1CCCC1 ZINC000455892102 822743380 /nfs/dbraw/zinc/74/33/80/822743380.db2.gz JTAAJCJALOEAOL-INIZCTEOSA-N 0 1 388.537 4.234 20 0 GIADMN 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20 0 GIADMN Cc1ccc(CCCC(=O)N(C)C2CCN(CCC(F)(F)F)CC2)s1 ZINC000457090015 822852360 /nfs/dbraw/zinc/85/23/60/822852360.db2.gz UTHNSPBYYQNKIX-UHFFFAOYSA-N 0 1 376.488 4.254 20 0 GIADMN Cc1ccn(-c2ccccc2C[NH2+][C@H](C)c2ccc(Br)cc2[O-])n1 ZINC000186123111 822853543 /nfs/dbraw/zinc/85/35/43/822853543.db2.gz QFMKMFXIZFJWTH-CQSZACIVSA-N 0 1 386.293 4.500 20 0 GIADMN C[C@H]([NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000186127652 822854037 /nfs/dbraw/zinc/85/40/37/822854037.db2.gz ICGXDXCVHLJVMJ-ZLIFDBKOSA-N 0 1 387.351 4.118 20 0 GIADMN COc1ccccc1-c1nnc(CN(CCCO)[C@H]2CCCc3ccccc32)o1 ZINC000174908194 822854146 /nfs/dbraw/zinc/85/41/46/822854146.db2.gz JQMNMJKYJOTVSA-FQEVSTJZSA-N 0 1 393.487 4.007 20 0 GIADMN Cc1noc(Cl)c1CCC(=O)Nc1cc(Cl)cc(Br)c1O ZINC000174915498 822855479 /nfs/dbraw/zinc/85/54/79/822855479.db2.gz WPYQZWYTDOWLQX-UHFFFAOYSA-N 0 1 394.052 4.329 20 0 GIADMN CCC[C@@H](N[C@H](C)c1sccc1OC)C(=O)N1CCc2sccc2C1 ZINC000186148033 822855758 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COc1ccsc1[C@H](C)NCc1cc(Br)c(OC)c(OC)c1 ZINC000186205782 822860824 /nfs/dbraw/zinc/86/08/24/822860824.db2.gz KOPAQJZJGSVMFZ-JTQLQIEISA-N 0 1 386.311 4.387 20 0 GIADMN COc1ccsc1[C@H](C)NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000186220189 822862110 /nfs/dbraw/zinc/86/21/10/822862110.db2.gz GAIZGPXBCLSZBN-JTQLQIEISA-N 0 1 393.310 4.155 20 0 GIADMN COc1ccsc1[C@H](C)NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000186220189 822862112 /nfs/dbraw/zinc/86/21/12/822862112.db2.gz GAIZGPXBCLSZBN-JTQLQIEISA-N 0 1 393.310 4.155 20 0 GIADMN O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)[C@H]1C[C@@H]1c1ccc(F)cc1 ZINC000054119967 822862859 /nfs/dbraw/zinc/86/28/59/822862859.db2.gz CLFIAPZQAXURSV-RTWAWAEBSA-N 0 1 386.898 4.363 20 0 GIADMN O=C(c1c[nH]c2ccccc2c1=O)N1CCC[C@@H]1c1ccc(Br)cc1 ZINC000054114515 822862886 /nfs/dbraw/zinc/86/28/86/822862886.db2.gz YFSQEAPPUAEBJP-GOSISDBHSA-N 0 1 397.272 4.268 20 0 GIADMN C[C@@H](CS(=O)(=O)c1ccccc1)N[C@H]1CCCOc2cc(Cl)ccc21 ZINC000186232896 822863239 /nfs/dbraw/zinc/86/32/39/822863239.db2.gz 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CC(=O)c1cc(C(=O)N2CCCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)n(C)c1 ZINC000457352801 822869695 /nfs/dbraw/zinc/86/96/95/822869695.db2.gz FIOWTEPGPMTHTG-QGZVFWFLSA-N 0 1 384.867 4.125 20 0 GIADMN COCc1c2ccccc2oc1C(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000054227258 822869824 /nfs/dbraw/zinc/86/98/24/822869824.db2.gz UWRGLMWAEOKAFC-WMZOPIPTSA-N 0 1 378.472 4.145 20 0 GIADMN O=C(CSc1ccncc1)N1CCCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000457357505 822869932 /nfs/dbraw/zinc/86/99/32/822869932.db2.gz IRUPVAMHZHADQE-QGZVFWFLSA-N 0 1 386.908 4.457 20 0 GIADMN O=C(c1ccnn1CC(F)F)N1CCCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000457358126 822870056 /nfs/dbraw/zinc/87/00/56/822870056.db2.gz JDOHCGNKILMELU-CQSZACIVSA-N 0 1 393.825 4.045 20 0 GIADMN CCCc1c(C(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)[nH]c(C)c1C(C)=O ZINC000054228245 822870077 /nfs/dbraw/zinc/87/00/77/822870077.db2.gz OARPJPIHZNEWDE-QFBILLFUSA-N 0 1 381.520 4.044 20 0 GIADMN COc1ccc(OCc2nc(CNCCC[C@@H]3CCCCO3)cs2)cc1 ZINC000186284264 822870308 /nfs/dbraw/zinc/87/03/08/822870308.db2.gz CFGXAZWTTXJERE-SFHVURJKSA-N 0 1 376.522 4.170 20 0 GIADMN COc1ccccc1OCC(=O)N1CCCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000457372888 822871123 /nfs/dbraw/zinc/87/11/23/822871123.db2.gz QQNTVRWJDLYDEV-KRWDZBQOSA-N 0 1 399.878 4.358 20 0 GIADMN CC[C@@H](c1cccc(OC)c1)N(C)C(=O)NC[C@H](c1cccs1)N(C)C ZINC000569034063 822871460 /nfs/dbraw/zinc/87/14/60/822871460.db2.gz CCGLTVODAXOPMV-ZWKOTPCHSA-N 0 1 375.538 4.152 20 0 GIADMN C[C@H](NCC(=O)N(C)C1CCCCC1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000175036102 822871574 /nfs/dbraw/zinc/87/15/74/822871574.db2.gz IPWFQLLSWLYLQQ-SFHVURJKSA-N 0 1 393.531 4.381 20 0 GIADMN C[C@H](CCc1ccccc1)NC(=O)N(C)C1CCN(CCC(F)(F)F)CC1 ZINC000457394372 822872548 /nfs/dbraw/zinc/87/25/48/822872548.db2.gz AHHMYCMKZPQPLL-MRXNPFEDSA-N 0 1 385.474 4.066 20 0 GIADMN CC[C@H](CC(F)F)C(=O)N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000457406656 822873375 /nfs/dbraw/zinc/87/33/75/822873375.db2.gz UTIGUARLSBGYBZ-OAHLLOKOSA-N 0 1 392.412 4.421 20 0 GIADMN C[C@]1(c2ccc(F)cc2)CCN(C(=O)c2cccc(Br)c2O)C1 ZINC000569057795 822874939 /nfs/dbraw/zinc/87/49/39/822874939.db2.gz JQEAAFCXAYHYKB-SFHVURJKSA-N 0 1 378.241 4.098 20 0 GIADMN C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)N1C(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000457459384 822877146 /nfs/dbraw/zinc/87/71/46/822877146.db2.gz NBMKRWUNZBMPBA-FZKCQIBNSA-N 0 1 387.446 4.177 20 0 GIADMN C[C@@H]1C[C@@H](NC(=O)NC[C@H](c2ccco2)N2CCCCC2)c2ccccc2O1 ZINC000457459587 822877171 /nfs/dbraw/zinc/87/71/71/822877171.db2.gz XHKRYEJTJIVZSG-BHIYHBOVSA-N 0 1 383.492 4.018 20 0 GIADMN C[C@H]1C[C@@H](N(C)C(=O)c2ccc3[n-]c(=S)oc3c2)CC[N@H+]1Cc1ccccc1 ZINC000175083872 822879297 /nfs/dbraw/zinc/87/92/97/822879297.db2.gz ZWGBFWGQXISXPI-YJBOKZPZSA-N 0 1 395.528 4.242 20 0 GIADMN CN(Cc1cccc(F)c1)C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000054393606 822881576 /nfs/dbraw/zinc/88/15/76/822881576.db2.gz CCZSQHPHGZFCIZ-UHFFFAOYSA-N 0 1 389.902 4.285 20 0 GIADMN Cc1cc(Br)c(F)cc1NC1CCN(Cc2ccccn2)CC1 ZINC000186361262 822882061 /nfs/dbraw/zinc/88/20/61/822882061.db2.gz PAQJIWOXNBGIQR-UHFFFAOYSA-N 0 1 378.289 4.368 20 0 GIADMN CC(C)C[C@H]1OCCC[C@H]1NCc1csc(CC(=O)Nc2ccccc2)n1 ZINC000186366969 822882810 /nfs/dbraw/zinc/88/28/10/822882810.db2.gz DHIVROXZQAXEEJ-RTBURBONSA-N 0 1 387.549 4.008 20 0 GIADMN O=C(CCN1CCC[C@@H]1c1nc2ccccc2s1)Nc1ccc2c(c1)OCO2 ZINC000054425344 822883902 /nfs/dbraw/zinc/88/39/02/822883902.db2.gz IQKWIBHDOPRALW-MRXNPFEDSA-N 0 1 395.484 4.191 20 0 GIADMN COc1ccc(S(=O)(=O)Nc2cc(F)c(SC)c(F)c2)c(Cl)c1 ZINC000569146560 822884053 /nfs/dbraw/zinc/88/40/53/822884053.db2.gz PHQUALMNQAQKEB-UHFFFAOYSA-N 0 1 379.837 4.150 20 0 GIADMN O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)N1Cc2cccc(F)c2C1 ZINC000457514728 822884193 /nfs/dbraw/zinc/88/41/93/822884193.db2.gz FRBLCOWEYAQJFE-UHFFFAOYSA-N 0 1 387.886 4.169 20 0 GIADMN CCCN(CC[S@@](=O)c1cc(Cl)ccc1Cl)C[C@@H]1CCCCO1 ZINC000569150435 822884649 /nfs/dbraw/zinc/88/46/49/822884649.db2.gz SLLGZFSVDJBVMO-NPMXOYFQSA-N 0 1 378.365 4.382 20 0 GIADMN C[C@@H]([NH2+]Cc1nnc(COc2ccccc2)[n-]1)c1ccc(OC(F)(F)F)cc1 ZINC000186422672 822892223 /nfs/dbraw/zinc/89/22/23/822892223.db2.gz ZDOPNVSXYOABBX-CYBMUJFWSA-N 0 1 392.381 4.133 20 0 GIADMN CN(C(=O)N[C@@H](c1ccccc1)C1CC1)C1CCN(CCC(F)(F)F)CC1 ZINC000457565544 822892199 /nfs/dbraw/zinc/89/21/99/822892199.db2.gz DAJNDRNKNMLGFY-SFHVURJKSA-N 0 1 383.458 4.196 20 0 GIADMN Cc1nn2c(CNc3ccc4c(c3)nc(C)n4[C@@H](C)CO)c(C(C)C)nc2s1 ZINC000569205043 822892611 /nfs/dbraw/zinc/89/26/11/822892611.db2.gz RSYYXDQAJKJVIR-LBPRGKRZSA-N 0 1 398.536 4.046 20 0 GIADMN Cc1nn(-c2ccc(Br)cc2)cc1-c1nc([C@H](N)CC(C)C)no1 ZINC000569221161 822894080 /nfs/dbraw/zinc/89/40/80/822894080.db2.gz IFFKCUBZATYYKP-OAHLLOKOSA-N 0 1 390.285 4.039 20 0 GIADMN Clc1ccc2c(c1Cl)CC[C@H]2NCc1n[nH]c(COc2ccccc2)n1 ZINC000186433417 822894419 /nfs/dbraw/zinc/89/44/19/822894419.db2.gz ZENYFGDGHKNBBY-MRXNPFEDSA-N 0 1 389.286 4.468 20 0 GIADMN Clc1ccc2c(c1Cl)CC[C@H]2[NH2+]Cc1nnc(COc2ccccc2)[n-]1 ZINC000186433417 822894425 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CCCOc1ccc(NS(=O)(=O)c2cc(Cl)c(OC)cc2OC)c(C)c1 ZINC000414380440 823969923 /nfs/dbraw/zinc/96/99/23/823969923.db2.gz KVRKEMBWYMMWTK-UHFFFAOYSA-N 0 1 399.896 4.255 20 0 GIADMN Cc1nn(-c2cccc(F)c2)cc1CNCc1ccc(C)cc1O[C@H]1CCOC1 ZINC000414384276 823970405 /nfs/dbraw/zinc/97/04/05/823970405.db2.gz VJGRYMWJWBHLIM-QFIPXVFZSA-N 0 1 395.478 4.086 20 0 GIADMN O=C(c1cc(-c2ccccc2Cl)[nH]n1)N1CCO[C@H](c2cccc(F)c2)C1 ZINC000170780685 823970702 /nfs/dbraw/zinc/97/07/02/823970702.db2.gz QQHWALYSSMAMNW-IBGZPJMESA-N 0 1 385.826 4.083 20 0 GIADMN CCCc1c(NC(=O)N[C@@H]2CCCc3cn[nH]c32)cnn1-c1ccc(C)cc1 ZINC000575435813 823970744 /nfs/dbraw/zinc/97/07/44/823970744.db2.gz PGIBMYRKWCCWER-QGZVFWFLSA-N 0 1 378.480 4.055 20 0 GIADMN CC(C)[C@@H](NCc1ccc(S(N)(=O)=O)c(Cl)c1)c1ccccc1Cl ZINC000414389875 823971459 /nfs/dbraw/zinc/97/14/59/823971459.db2.gz HHMXOIMESLLFCJ-QGZVFWFLSA-N 0 1 387.332 4.128 20 0 GIADMN O=C(NC1CCN(CCc2ccc(F)cc2Cl)CC1)c1ccc(F)cc1 ZINC000575632230 823980126 /nfs/dbraw/zinc/98/01/26/823980126.db2.gz SFVVMPDLFAXVSV-UHFFFAOYSA-N 0 1 378.850 4.055 20 0 GIADMN COc1cc(S(=O)(=O)[N-]c2cc(C[NH+]3CCCC3)ccc2C)ccc1Cl ZINC000414440118 823986070 /nfs/dbraw/zinc/98/60/70/823986070.db2.gz HHYFVOQDULWTLV-UHFFFAOYSA-N 0 1 394.924 4.054 20 0 GIADMN COc1ccc([C@H](C)NCc2cn(-c3cccc(F)c3)nc2C)c(C)c1OC ZINC000414443047 823986385 /nfs/dbraw/zinc/98/63/85/823986385.db2.gz MZGGTPHJEGQPSP-INIZCTEOSA-N 0 1 383.467 4.496 20 0 GIADMN COC(=O)c1ccc(CNCc2ccc(C(F)(F)F)c(C)c2)nc1C1CC1 ZINC000414445106 823986989 /nfs/dbraw/zinc/98/69/89/823986989.db2.gz RLERZTPMIQXAGQ-UHFFFAOYSA-N 0 1 378.394 4.363 20 0 GIADMN Cc1[nH]ncc1CNC(=O)C=Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000170850549 823990473 /nfs/dbraw/zinc/99/04/73/823990473.db2.gz RDHOQXBUYPRJHN-NSCUHMNNSA-N 0 1 377.288 4.085 20 0 GIADMN C[C@@H](Sc1nc(C(F)(F)F)cc(=O)[nH]1)C(=O)Nc1ccc(F)cc1Cl ZINC000126968196 823991537 /nfs/dbraw/zinc/99/15/37/823991537.db2.gz DCNMGCFGRPNKFF-ZCFIWIBFSA-N 0 1 395.765 4.113 20 0 GIADMN CSc1ccc([C@H](CN[C@H](c2ncc[nH]2)c2ccc(F)cc2)N(C)C)cc1 ZINC000575784798 823994606 /nfs/dbraw/zinc/99/46/06/823994606.db2.gz YDWVSDPCZGVOMI-PMACEKPBSA-N 0 1 384.524 4.253 20 0 GIADMN C/C(=C\c1cccc(C(F)(F)F)c1)CNCc1ccccc1S(C)(=O)=O ZINC000414509886 823997935 /nfs/dbraw/zinc/99/79/35/823997935.db2.gz STTBEUCYTNPHSG-GXDHUFHOSA-N 0 1 383.435 4.302 20 0 GIADMN Cc1ccc([C@@H](CNC(=O)N[C@@H]2CCCC[C@@H]2C(F)(F)F)N2CCCC2)o1 ZINC000575798920 823999186 /nfs/dbraw/zinc/99/91/86/823999186.db2.gz HPGNAGXYEJWYCF-ARFHVFGLSA-N 0 1 387.446 4.145 20 0 GIADMN C[C@@H](N[C@H](c1ccc2c(c1)OCCO2)C1CC1)c1ccc(Br)cn1 ZINC000575802744 824000378 /nfs/dbraw/zinc/00/03/78/824000378.db2.gz PVLRZZCHRDYBSW-BLVKFPJESA-N 0 1 389.293 4.417 20 0 GIADMN O=C([O-])c1cccc(OCC[N@@H+](Cc2cccc(Br)c2)C2CC2)c1 ZINC000575810273 824001452 /nfs/dbraw/zinc/00/14/52/824001452.db2.gz KLFHDBHZUOPWIG-UHFFFAOYSA-N 0 1 390.277 4.191 20 0 GIADMN Cc1ccc(OCc2nc(CNC[C@H](CO)c3ccc(F)cc3)cs2)cc1 ZINC000414529135 824002575 /nfs/dbraw/zinc/00/25/75/824002575.db2.gz OUPHJCHIYDPVEC-QGZVFWFLSA-N 0 1 386.492 4.035 20 0 GIADMN CC1CCN([C@@H](CNC(=O)c2cc(-c3ccncc3)on2)c2cccs2)CC1 ZINC000127040666 824005574 /nfs/dbraw/zinc/00/55/74/824005574.db2.gz CIQJJQNNGAWAJE-SFHVURJKSA-N 0 1 396.516 4.001 20 0 GIADMN CCS(=O)(=O)CCCNCc1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000414540660 824005924 /nfs/dbraw/zinc/00/59/24/824005924.db2.gz HMXWSKPIWJSPRT-UHFFFAOYSA-N 0 1 376.305 4.168 20 0 GIADMN CCN(Cc1cn(C)nc1-c1ccc2c(c1)OCCCO2)Cc1occc1C ZINC000414547174 824007959 /nfs/dbraw/zinc/00/79/59/824007959.db2.gz HJWYVVXYFBWHPW-UHFFFAOYSA-N 0 1 381.476 4.172 20 0 GIADMN CC(C)Sc1cccc(Cl)c1CNCC1(CS(C)(=O)=O)CCC1 ZINC000414549647 824008905 /nfs/dbraw/zinc/00/89/05/824008905.db2.gz BHEJBGQWMRPUAR-UHFFFAOYSA-N 0 1 375.987 4.145 20 0 GIADMN COCCNc1ccc(CN[C@@H](C)c2ccc(F)cc2Br)cc1 ZINC000127061172 824009427 /nfs/dbraw/zinc/00/94/27/824009427.db2.gz XKMAVFNEZTZHHM-ZDUSSCGKSA-N 0 1 381.289 4.497 20 0 GIADMN CC(C)(CNCc1cn(-c2cccc(Cl)c2Cl)nn1)c1cccnc1 ZINC000414554360 824010707 /nfs/dbraw/zinc/01/07/07/824010707.db2.gz GYVPKAMVQJCOPJ-UHFFFAOYSA-N 0 1 376.291 4.037 20 0 GIADMN Cc1cc(F)cc(NC(=O)N[C@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)c1 ZINC000127097733 824017074 /nfs/dbraw/zinc/01/70/74/824017074.db2.gz XALCCMIWRARCFM-HNNXBMFYSA-N 0 1 393.344 4.182 20 0 GIADMN Cc1c(Cl)cccc1NC(=O)CNC1(c2ccc(F)cc2)CCOCC1 ZINC000170971498 824023562 /nfs/dbraw/zinc/02/35/62/824023562.db2.gz TZZXHOPRWXYCAB-UHFFFAOYSA-N 0 1 376.859 4.022 20 0 GIADMN O=C(CNC1(c2ccc(F)cc2)CCOCC1)Nc1cccc(C(F)(F)F)c1 ZINC000170971496 824023628 /nfs/dbraw/zinc/02/36/28/824023628.db2.gz GEHBJVKNFHTRJF-UHFFFAOYSA-N 0 1 396.384 4.079 20 0 GIADMN Cc1ccc(NC(=O)CNC2(c3ccc(F)cc3)CCOCC2)cc1Cl ZINC000170972030 824024229 /nfs/dbraw/zinc/02/42/29/824024229.db2.gz FCXNPGJZXRVQCS-UHFFFAOYSA-N 0 1 376.859 4.022 20 0 GIADMN CO[C@H](C)c1cccc(NS(=O)(=O)c2ccc(C)cc2Br)c1 ZINC000171013622 824037421 /nfs/dbraw/zinc/03/74/21/824037421.db2.gz VQHSBRYFQWHZRB-GFCCVEGCSA-N 0 1 384.295 4.266 20 0 GIADMN COc1ccccc1-c1noc(C2CCN(Cc3cnc(C4CC4)s3)CC2)n1 ZINC000575976406 824042849 /nfs/dbraw/zinc/04/28/49/824042849.db2.gz XRKXAKYPRVVWGA-UHFFFAOYSA-N 0 1 396.516 4.459 20 0 GIADMN COc1cc(SC)ccc1NC(=O)NC[C@H](c1ccc(Cl)cc1)N(C)C ZINC000575981942 824043846 /nfs/dbraw/zinc/04/38/46/824043846.db2.gz NNLQBJNFUXIWKO-QGZVFWFLSA-N 0 1 393.940 4.495 20 0 GIADMN CCOC(=O)c1oc2c(c1C)[C@H](N[C@@H](C)c1ccc(-n3cncn3)cc1)CCC2 ZINC000192610687 824045263 /nfs/dbraw/zinc/04/52/63/824045263.db2.gz QUVCDQPDTXXCFA-MAUKXSAKSA-N 0 1 394.475 4.074 20 0 GIADMN CCOC(=O)c1oc2c(c1C)[C@@H](N[C@@H](C)c1ccc(-n3cncn3)cc1)CCC2 ZINC000192610672 824045388 /nfs/dbraw/zinc/04/53/88/824045388.db2.gz QUVCDQPDTXXCFA-YJBOKZPZSA-N 0 1 394.475 4.074 20 0 GIADMN Cc1ccc(Br)c(NC(=O)NC[C@@H](c2cccc(F)c2)N(C)C)c1 ZINC000576016523 824050510 /nfs/dbraw/zinc/05/05/10/824050510.db2.gz BMTGUXXZARQWNX-KRWDZBQOSA-N 0 1 394.288 4.321 20 0 GIADMN Cc1ccc(C(=O)Nc2ccc(OC(=O)Cc3[nH]nc4ccccc43)cc2)cc1 ZINC000171061683 824052111 /nfs/dbraw/zinc/05/21/11/824052111.db2.gz KPPKJGRBTNTPIU-UHFFFAOYSA-N 0 1 385.423 4.272 20 0 GIADMN O=C(CCSc1nc(-c2ccc(Cl)cc2)n[nH]1)Nc1ccccc1F ZINC000192646421 824055378 /nfs/dbraw/zinc/05/53/78/824055378.db2.gz DAYWKOORNKTKRM-UHFFFAOYSA-N 0 1 376.844 4.385 20 0 GIADMN Cc1cc(C(=O)Nc2cc(Cl)ccc2N2CCN(C)CC2)c2ccccc2n1 ZINC000016002897 210182077 /nfs/dbraw/zinc/18/20/77/210182077.db2.gz GKKYJVZJFXLUBJ-UHFFFAOYSA-N 0 1 394.906 4.201 20 0 GIADMN CC[C@@H]1C[N@H+](Cc2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)CC[C@@H]1c1ccccc1 ZINC000829150410 601114743 /nfs/dbraw/zinc/11/47/43/601114743.db2.gz NIFHEWVQIAKLRE-QAPCUYQASA-N 0 1 391.471 4.049 20 0 GIADMN CC[C@@H]1C[N@@H+](Cc2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)CC[C@@H]1c1ccccc1 ZINC000829150410 601114745 /nfs/dbraw/zinc/11/47/45/601114745.db2.gz NIFHEWVQIAKLRE-QAPCUYQASA-N 0 1 391.471 4.049 20 0 GIADMN Cc1nc(CN2CCCC23CCN(c2ncnc4c(F)cccc42)CC3)cs1 ZINC001164694427 719807691 /nfs/dbraw/zinc/80/76/91/719807691.db2.gz XNSFYBPMIVREDK-UHFFFAOYSA-N 0 1 397.523 4.169 20 0 GIADMN Clc1cc(C2CCCCC2)nc(N2CC[C@H]3[C@@H]2CCN3Cc2cccnc2)n1 ZINC001164724433 720475654 /nfs/dbraw/zinc/47/56/54/720475654.db2.gz GHFBZQGHIKIJNK-PMACEKPBSA-N 0 1 397.954 4.426 20 0 GIADMN Cc1cccc2c1nc(Cl)nc2N1CCn2c(CN(C)C(C)C)cnc2[C@H]1C ZINC001164856160 720946866 /nfs/dbraw/zinc/94/68/66/720946866.db2.gz BUWMDOHQVVFMAC-OAHLLOKOSA-N 0 1 398.942 4.210 20 0 GIADMN CC[C@H](C)c1nc2[nH]ccc2c(N2CCn3c(CN(C)C(C)C)cnc3[C@@H]2C)n1 ZINC001164861032 721024303 /nfs/dbraw/zinc/02/43/03/721024303.db2.gz NBJYLEPYSVSQHL-HOTGVXAUSA-N 0 1 395.555 4.089 20 0 GIADMN Cc1ccc(CN2CCOC3(CCN(c4ccc5ccccc5n4)CC3)C2)cc1 ZINC001164937930 721920347 /nfs/dbraw/zinc/92/03/47/721920347.db2.gz HQYYHYWFSQSLCO-UHFFFAOYSA-N 0 1 387.527 4.415 20 0 GIADMN Cc1ccc(CN2CCOC3(CCN(c4cc(Cl)ncc4F)CC3)C2)cc1 ZINC001164940904 721925276 /nfs/dbraw/zinc/92/52/76/721925276.db2.gz WAXNNBKEFHULIY-UHFFFAOYSA-N 0 1 389.902 4.054 20 0 GIADMN Fc1cccc(CN2CC[C@]23CCCN(c2nc(Cl)nc4cccnc42)C3)c1 ZINC001164992827 722195754 /nfs/dbraw/zinc/19/57/54/722195754.db2.gz BCACTZYHXRULAG-NRFANRHFSA-N 0 1 397.885 4.062 20 0 GIADMN Cc1ccc(-c2ccc(N3CCC[C@@]4(CCN4Cc4cccc(F)c4)C3)nn2)o1 ZINC001164993778 722209725 /nfs/dbraw/zinc/20/97/25/722209725.db2.gz BGRMAHFMMOFYKW-HSZRJFAPSA-N 0 1 392.478 4.429 20 0 GIADMN COCc1cccc(CC(=O)Nc2cc(Cl)cc(Br)c2O)c1 ZINC000187339257 823045663 /nfs/dbraw/zinc/04/56/63/823045663.db2.gz VZCFESZIFRJKQW-UHFFFAOYSA-N 0 1 384.657 4.136 20 0 GIADMN CCc1cc2c(C[N@@H+]3CCC[C@@H]3C[C@H](O)c3cccs3)cc(=O)oc2cc1[O-] ZINC000175814447 823046599 /nfs/dbraw/zinc/04/65/99/823046599.db2.gz NUDNSBDZTCVQCG-APWZRJJASA-N 0 1 399.512 4.211 20 0 GIADMN CCc1cc2c(C[N@H+]3CCC[C@@H]3C[C@H](O)c3cccs3)cc(=O)oc2cc1[O-] ZINC000175814447 823046604 /nfs/dbraw/zinc/04/66/04/823046604.db2.gz NUDNSBDZTCVQCG-APWZRJJASA-N 0 1 399.512 4.211 20 0 GIADMN CC1(CNC(=O)c2ccc(-n3[nH]c(Cc4ccccc4)cc3=O)cc2)CCCC1 ZINC000570506360 823047679 /nfs/dbraw/zinc/04/76/79/823047679.db2.gz LWHFJUCGZCKZFS-UHFFFAOYSA-N 0 1 389.499 4.332 20 0 GIADMN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccc2[nH]nnc2c1 ZINC000175824771 823048613 /nfs/dbraw/zinc/04/86/13/823048613.db2.gz MDLVHZCOKZICGB-UHFFFAOYSA-N 0 1 388.214 4.480 20 0 GIADMN CN(CC(=O)Nc1c(Cl)cccc1C(F)(F)F)CC1(O)CCCCCC1 ZINC000187361266 823049567 /nfs/dbraw/zinc/04/95/67/823049567.db2.gz ATQRNFIGMZKLLS-UHFFFAOYSA-N 0 1 392.849 4.314 20 0 GIADMN CCCOc1ccccc1[C@@H](CC(C)C)NC(=O)NCc1n[nH]c(C(C)C)n1 ZINC000458521151 823050409 /nfs/dbraw/zinc/05/04/09/823050409.db2.gz VDPAFAHLBGNGFS-QGZVFWFLSA-N 0 1 387.528 4.304 20 0 GIADMN CC(C)CC1(CNC(=O)N(C)C2CCN(CCC(F)(F)F)CC2)CCC1 ZINC000458532115 823051880 /nfs/dbraw/zinc/05/18/80/823051880.db2.gz JGHHXPDSQLEOJK-UHFFFAOYSA-N 0 1 377.495 4.261 20 0 GIADMN Cc1cccc(NC(=O)NC[C@H](c2ccco2)N2CCCC2)c1Br ZINC000120726041 823053221 /nfs/dbraw/zinc/05/32/21/823053221.db2.gz BHBKGMQUTAMEEQ-OAHLLOKOSA-N 0 1 392.297 4.309 20 0 GIADMN C[C@@H](c1ccccc1)N1CCC(NS(=O)(=O)c2ccc(C(F)F)cc2)CC1 ZINC000570554212 823053463 /nfs/dbraw/zinc/05/34/63/823053463.db2.gz LBMIHUSZFJKKLI-HNNXBMFYSA-N 0 1 394.487 4.128 20 0 GIADMN CCS(=O)(=O)c1ccc(N2CCC[C@H](c3nc4ccc(C)cc4[nH]3)C2)cc1 ZINC000570559104 823054728 /nfs/dbraw/zinc/05/47/28/823054728.db2.gz WOWVLJLCIJDURW-INIZCTEOSA-N 0 1 383.517 4.049 20 0 GIADMN C[C@@H](NC[C@@H](O)c1ccc(Cl)c(F)c1)c1ncc(Br)cc1F ZINC000187407364 823057091 /nfs/dbraw/zinc/05/70/91/823057091.db2.gz QJAZYQJRLZPERZ-XLKFXECMSA-N 0 1 391.643 4.160 20 0 GIADMN C[C@@H](NC[C@H](O)c1ccc(Cl)c(F)c1)c1ncc(Br)cc1F ZINC000187407330 823057107 /nfs/dbraw/zinc/05/71/07/823057107.db2.gz QJAZYQJRLZPERZ-CLAHSXSESA-N 0 1 391.643 4.160 20 0 GIADMN Cc1cc(C)c(NC(=O)CN(C)C(=O)c2cccc(C(F)(F)F)c2O)c(C)c1 ZINC000570579961 823057240 /nfs/dbraw/zinc/05/72/40/823057240.db2.gz HGQURYGIIJKROA-UHFFFAOYSA-N 0 1 394.393 4.047 20 0 GIADMN C[C@H](NC(=O)CN1CCCCC[C@@H]1C[C@H](O)c1cccs1)c1cccs1 ZINC000175859895 823057305 /nfs/dbraw/zinc/05/73/05/823057305.db2.gz KSFWHIJFHRLTHL-BBWFWOEESA-N 0 1 392.590 4.355 20 0 GIADMN C[C@H](NCc1ccc(OCc2ccccc2F)nc1)c1ccc2c(c1)OCO2 ZINC000187409979 823058042 /nfs/dbraw/zinc/05/80/42/823058042.db2.gz GNVBQNJQMNYITC-HNNXBMFYSA-N 0 1 380.419 4.379 20 0 GIADMN C[C@H](NC(=O)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1)c1cccc(O)c1 ZINC000570589187 823058273 /nfs/dbraw/zinc/05/82/73/823058273.db2.gz GGAXEPQNDFTTJX-MAUKXSAKSA-N 0 1 397.523 4.208 20 0 GIADMN CC[C@H](CN(CC)C(=O)NC1CCN(Cc2ccncc2)CC1)c1ccccc1 ZINC000187438915 823063987 /nfs/dbraw/zinc/06/39/87/823063987.db2.gz KKIBHMLLKPIJHK-OAQYLSRUSA-N 0 1 394.563 4.271 20 0 GIADMN C[C@@H](OC[C@@H](O)CNCc1nc(C(C)(C)C)cs1)c1ccc(Cl)cc1 ZINC000570625741 823064069 /nfs/dbraw/zinc/06/40/69/823064069.db2.gz IZEKITRIKMGXOG-CJNGLKHVSA-N 0 1 382.957 4.322 20 0 GIADMN C[C@H](OC[C@H](O)CNCc1nc(C(C)(C)C)cs1)c1ccc(Cl)cc1 ZINC000570625743 823064124 /nfs/dbraw/zinc/06/41/24/823064124.db2.gz IZEKITRIKMGXOG-XJKSGUPXSA-N 0 1 382.957 4.322 20 0 GIADMN CC(C)c1nc(CNC(=O)NCc2ccc(Sc3ccc(F)cc3)cc2)n[nH]1 ZINC000458636651 823067708 /nfs/dbraw/zinc/06/77/08/823067708.db2.gz ZDKPUABFYDAMDG-UHFFFAOYSA-N 0 1 399.495 4.218 20 0 GIADMN 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397.378 4.173 20 0 GIADMN C[C@@H](NCC(=O)NCc1ccc(Cl)s1)c1ccc(-c2cccnc2)cc1 ZINC000181291679 821738575 /nfs/dbraw/zinc/73/85/75/821738575.db2.gz RDMGBXNLLPXSFC-CQSZACIVSA-N 0 1 385.920 4.431 20 0 GIADMN CCn1c(CN[C@H](C)c2ccc(N3CCOC3=O)cc2)nc2c1cccc2F ZINC000181296425 821741423 /nfs/dbraw/zinc/74/14/23/821741423.db2.gz DUVZRVMXJZPGJP-CQSZACIVSA-N 0 1 382.439 4.003 20 0 GIADMN CCc1cccc(CC)c1NC(=O)CN[C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000181301869 821744097 /nfs/dbraw/zinc/74/40/97/821744097.db2.gz IOJDCYSAUFHQHH-MRXNPFEDSA-N 0 1 395.503 4.057 20 0 GIADMN Cc1ccc(NC(=O)N2CCC[C@H](c3nnc(-c4ccccc4)[nH]3)C2)c(F)c1 ZINC000181311573 821749738 /nfs/dbraw/zinc/74/97/38/821749738.db2.gz XDHSLTMNMZDBMI-INIZCTEOSA-N 0 1 379.439 4.331 20 0 GIADMN CCc1ccccc1NC(=O)N1CCC[C@@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000181312029 821750558 /nfs/dbraw/zinc/75/05/58/821750558.db2.gz VQHDPOLGWKEDMB-GOSISDBHSA-N 0 1 375.476 4.446 20 0 GIADMN COc1ccc(F)c(NC(=O)N2CCC[C@@H](c3nnc(-c4ccccc4)[nH]3)C2)c1 ZINC000181314344 821752758 /nfs/dbraw/zinc/75/27/58/821752758.db2.gz WJFIVHIEFVGTNH-OAHLLOKOSA-N 0 1 395.438 4.031 20 0 GIADMN Cc1cc(F)cc(NC(=O)N2CCC[C@H](c3nnc(-c4ccccc4)[nH]3)C2)c1 ZINC000181314995 821753524 /nfs/dbraw/zinc/75/35/24/821753524.db2.gz JJYNYDNMNDCQQX-INIZCTEOSA-N 0 1 379.439 4.331 20 0 GIADMN Cc1cc(NC(=O)CN[C@H](C)c2ccc(-c3cccnc3)cc2)n(C(C)(C)C)n1 ZINC000181315522 821754040 /nfs/dbraw/zinc/75/40/40/821754040.db2.gz XTTNTTJDZLKJIA-QGZVFWFLSA-N 0 1 391.519 4.298 20 0 GIADMN O=C(Cc1cccc(Cl)c1)N1CCC[C@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000181317454 821755322 /nfs/dbraw/zinc/75/53/22/821755322.db2.gz RLFNULQVAQSRNH-KRWDZBQOSA-N 0 1 380.879 4.074 20 0 GIADMN C[C@H](C(=O)N1CCC[C@@H](c2nnc(-c3ccccc3)[nH]2)C1)c1cccc(F)c1 ZINC000181321014 821757459 /nfs/dbraw/zinc/75/74/59/821757459.db2.gz HTBJEVPNIQFOQY-MAUKXSAKSA-N 0 1 378.451 4.121 20 0 GIADMN Cc1ccccc1[C@@H]1C[C@H]1C(=O)N1CCC[C@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000181340248 821771794 /nfs/dbraw/zinc/77/17/94/821771794.db2.gz PRUCZEBMVMUOCA-SESVDKBCSA-N 0 1 386.499 4.290 20 0 GIADMN O=C(c1ccnc2ccccc21)N1CCC[C@@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000181349803 821779104 /nfs/dbraw/zinc/77/91/04/821779104.db2.gz BIYRPMICOONBMU-QGZVFWFLSA-N 0 1 383.455 4.040 20 0 GIADMN COc1cccc(Cl)c1C(=O)N1CCC[C@@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000181353237 821781603 /nfs/dbraw/zinc/78/16/03/821781603.db2.gz FWCHXNUKOSQGCX-OAHLLOKOSA-N 0 1 396.878 4.154 20 0 GIADMN COc1cc(OC)c(NC(=O)CN[C@H](C)c2ccc(C)c(F)c2)cc1Cl ZINC000181354816 821783074 /nfs/dbraw/zinc/78/30/74/821783074.db2.gz ZYTDWUFRCWNJTQ-GFCCVEGCSA-N 0 1 380.847 4.094 20 0 GIADMN O=c1nc(CN[C@@H](CC2CCC2)c2ccccc2)[nH]c2sc3c(c21)CCC3 ZINC000181356319 821784057 /nfs/dbraw/zinc/78/40/57/821784057.db2.gz PRGUITWTIJACPY-KRWDZBQOSA-N 0 1 379.529 4.494 20 0 GIADMN CCn1c2ccc(F)cc2nc1CN[C@@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000181358358 821785315 /nfs/dbraw/zinc/78/53/15/821785315.db2.gz ONLXYSNHYVWWKI-HNNXBMFYSA-N 0 1 380.467 4.173 20 0 GIADMN 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[O-]c1cccc(C[NH2+]CC2(c3ccc(F)cc3)CCOCC2)c1Br ZINC000459458408 823196245 /nfs/dbraw/zinc/19/62/45/823196245.db2.gz DCMISRHTUXINMM-UHFFFAOYSA-N 0 1 394.284 4.132 20 0 GIADMN C[C@@H]1CN(c2ccccc2CNCc2ccc(Oc3ccccc3)nc2)CCO1 ZINC000459461822 823197182 /nfs/dbraw/zinc/19/71/82/823197182.db2.gz IWDDFZCMFKFXJZ-LJQANCHMSA-N 0 1 389.499 4.389 20 0 GIADMN CCN(C[C@@H]1CCN([C@@H](C)C(=O)Nc2ccccc2C(C)C)C1)CC(F)(F)F ZINC000176403936 823201204 /nfs/dbraw/zinc/20/12/04/823201204.db2.gz SPTGVBLZLKCWFA-IRXDYDNUSA-N 0 1 399.501 4.343 20 0 GIADMN CCN(C[C@H]1CCN([C@@H](C)c2nnc(-c3ccccc3)o2)C1)CC(F)(F)F ZINC000176404249 823201210 /nfs/dbraw/zinc/20/12/10/823201210.db2.gz DPQKMSIPTRMWGX-LSDHHAIUSA-N 0 1 382.430 4.004 20 0 GIADMN CCOc1cc(CN[C@@H]2CCOc3c(F)cccc32)cc(Br)c1O ZINC000459506077 823206509 /nfs/dbraw/zinc/20/65/09/823206509.db2.gz JKBCORDSQXONHK-OAHLLOKOSA-N 0 1 396.256 4.306 20 0 GIADMN Cc1nc(-c2ccc(S(=O)(=O)Nc3cc(C(C)(C)C)ccc3O)cc2)co1 ZINC000176414663 823203347 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Cc1ccc(NC(=O)[C@@H](C)N2CCC3(CC2)OCCc2ccccc23)c(C)c1 ZINC000459510200 823207595 /nfs/dbraw/zinc/20/75/95/823207595.db2.gz CJEXXCJLSOYNRK-LJQANCHMSA-N 0 1 378.516 4.194 20 0 GIADMN COc1cc(CN2CC[C@@H](n3cc(C)cn3)C2)ccc1OCc1cccs1 ZINC000571608254 823207866 /nfs/dbraw/zinc/20/78/66/823207866.db2.gz XNAWSMVFVQEHOK-GOSISDBHSA-N 0 1 383.517 4.288 20 0 GIADMN Cc1cccc2nc(CCC(=O)N(Cc3ccccc3)CC3CCOCC3)[nH]c21 ZINC000176443293 823208642 /nfs/dbraw/zinc/20/86/42/823208642.db2.gz NXWYIVGHGWQTEZ-UHFFFAOYSA-N 0 1 391.515 4.259 20 0 GIADMN O=C(Nc1nnc(SCc2ccccc2)s1)c1occc1Br ZINC000176461429 823212309 /nfs/dbraw/zinc/21/23/09/823212309.db2.gz JFJCTLMNNKOCJI-UHFFFAOYSA-N 0 1 396.291 4.438 20 0 GIADMN COCCC[C@H](Cc1ccccc1)[NH2+]Cc1cccc([O-])c1Br ZINC000459523063 823210704 /nfs/dbraw/zinc/21/07/04/823210704.db2.gz ITDBBGPNBSVDAF-QGZVFWFLSA-N 0 1 378.310 4.282 20 0 GIADMN O=C(CSc1n[nH]c(=S)s1)N1Cc2ccccc2C[C@@H]1c1ccccc1 ZINC000176468027 823214324 /nfs/dbraw/zinc/21/43/24/823214324.db2.gz HVBPZFOXSTYHNJ-MRXNPFEDSA-N 0 1 399.566 4.245 20 0 GIADMN CCOc1cc(CN2CCC[C@@](CO)(Cc3ccccc3)C2)cc(Cl)c1O ZINC000459555783 823219458 /nfs/dbraw/zinc/21/94/58/823219458.db2.gz IPOCXVXSJRCOEW-JOCHJYFZSA-N 0 1 389.923 4.262 20 0 GIADMN Oc1cccc(CN[C@H]2c3ccccc3CC23CCOCC3)c1Br ZINC000459557178 823219856 /nfs/dbraw/zinc/21/98/56/823219856.db2.gz CTMNSIJFPCZXDD-IBGZPJMESA-N 0 1 388.305 4.339 20 0 GIADMN CCOc1cc(CN[C@H]2c3ccccc3O[C@@H]2C)cc(Br)c1O ZINC000459562201 823220994 /nfs/dbraw/zinc/22/09/94/823220994.db2.gz ATWSAEXGQIZTKS-PIGZYNQJSA-N 0 1 378.266 4.165 20 0 GIADMN C[C@H](NC(=O)NC[C@H](c1ccsc1)N(C)C)c1ccccc1C(F)(F)F ZINC000056853715 823224505 /nfs/dbraw/zinc/22/45/05/823224505.db2.gz PIZXMTXTYFBMGH-BLLLJJGKSA-N 0 1 385.455 4.430 20 0 GIADMN [O-]c1cccc(C[NH2+]C2(Cc3ccc(F)cc3)CCOCC2)c1Br ZINC000459585576 823225487 /nfs/dbraw/zinc/22/54/87/823225487.db2.gz IMIIPUKWBOJCQP-UHFFFAOYSA-N 0 1 394.284 4.175 20 0 GIADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)Nc1ccsc1Cl ZINC000188367286 823227235 /nfs/dbraw/zinc/22/72/35/823227235.db2.gz BUIQQTQMGDKURW-UHFFFAOYSA-N 0 1 394.928 4.196 20 0 GIADMN C[C@H](C(=O)NC[C@H](c1ccc(F)cc1)N(C)C)c1ccc(C(F)(F)F)cc1 ZINC000409477187 823229735 /nfs/dbraw/zinc/22/97/35/823229735.db2.gz ILEHASBTIFOLNF-SCLBCKFNSA-N 0 1 382.401 4.367 20 0 GIADMN CN(C)[C@H](CNC(=O)N(Cc1ccco1)Cc1ccccc1)c1ccc(F)cc1 ZINC000056937826 823232974 /nfs/dbraw/zinc/23/29/74/823232974.db2.gz PZNWBCLWVKWYDK-JOCHJYFZSA-N 0 1 395.478 4.433 20 0 GIADMN C[C@@H](NC(=O)NC[C@H](c1ccc(F)cc1)N(C)C)c1cccc(OC(F)F)c1 ZINC000056936936 823233060 /nfs/dbraw/zinc/23/30/60/823233060.db2.gz KQQDYOQMJYCWQM-FZKQIMNGSA-N 0 1 395.425 4.090 20 0 GIADMN O=C(NC1CCN(Cc2ccc(F)cc2)CC1)N1CCC[C@@H]1c1cccc(F)c1 ZINC000056889894 823228592 /nfs/dbraw/zinc/22/85/92/823228592.db2.gz DTNOJUNHMDFMHN-JOCHJYFZSA-N 0 1 399.485 4.476 20 0 GIADMN C[C@@H]1CCCN1C(=O)CCN1CCc2nc(-c3ccccc3Cl)sc2C1 ZINC000571797654 823235544 /nfs/dbraw/zinc/23/55/44/823235544.db2.gz QFCFTNNSFLITLJ-CQSZACIVSA-N 0 1 389.952 4.223 20 0 GIADMN C[C@@H](NC[C@H](O)COc1ccc(Cl)cc1Cl)c1nc2c(s1)CCC2 ZINC000459640731 823235861 /nfs/dbraw/zinc/23/58/61/823235861.db2.gz XQXIVQOSQDEYDW-PWSUYJOCSA-N 0 1 387.332 4.029 20 0 GIADMN COc1ccc(NC(=O)NC[C@H](c2ccco2)N2CCCCC2)cc1SC ZINC000459658345 823242427 /nfs/dbraw/zinc/24/24/27/823242427.db2.gz KHEXHFAQYDMNMP-MRXNPFEDSA-N 0 1 389.521 4.359 20 0 GIADMN FC(F)(F)[C@H]1CCN(Cc2cccc3c2OCCCO3)CC12CCOCC2 ZINC000459656945 823241801 /nfs/dbraw/zinc/24/18/01/823241801.db2.gz WLVVYGUYRRTKHG-KRWDZBQOSA-N 0 1 385.426 4.029 20 0 GIADMN O=C(Nc1ccc2ccccc2c1)N1CCC(CCCN2CCOCC2)CC1 ZINC000121751061 823243026 /nfs/dbraw/zinc/24/30/26/823243026.db2.gz UKFJHIABHJQNOK-UHFFFAOYSA-N 0 1 381.520 4.196 20 0 GIADMN CN1CCN(Cc2cccc(NC(=O)c3cc(Cl)sc3Cl)c2)CC1 ZINC000057054710 823243912 /nfs/dbraw/zinc/24/39/12/823243912.db2.gz XLKUINHGQKQNIV-UHFFFAOYSA-N 0 1 384.332 4.055 20 0 GIADMN CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)c1 ZINC000121760075 823244946 /nfs/dbraw/zinc/24/49/46/823244946.db2.gz QYKPOAUYJJJMRE-UHFFFAOYSA-N 0 1 395.503 4.367 20 0 GIADMN CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)c1 ZINC000121760075 823244952 /nfs/dbraw/zinc/24/49/52/823244952.db2.gz QYKPOAUYJJJMRE-UHFFFAOYSA-N 0 1 395.503 4.367 20 0 GIADMN COc1ccc(C)cc1[C@@H](C)N[C@@H](C)C(=O)N(C)Cc1nc2ccccc2s1 ZINC000459665763 823245276 /nfs/dbraw/zinc/24/52/76/823245276.db2.gz KVJRYDVICNYYHG-CVEARBPZSA-N 0 1 397.544 4.311 20 0 GIADMN FC(F)(F)c1ccc(CN2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)nc1 ZINC000459669916 823246716 /nfs/dbraw/zinc/24/67/16/823246716.db2.gz VDMOPKXFBJLJMI-CQSZACIVSA-N 0 1 382.348 4.281 20 0 GIADMN CO[C@@H](C)c1nc(C)c(C(=O)Nc2ccc3nc(-c4ccccn4)[nH]c3c2)s1 ZINC000176627210 823252054 /nfs/dbraw/zinc/25/20/54/823252054.db2.gz MHXKQDSDEYIKEB-LBPRGKRZSA-N 0 1 393.472 4.350 20 0 GIADMN Cc1cccc2nc(CCC(=O)N3CCC[C@@H]3c3cccc(N(C)C)c3)[nH]c21 ZINC000176630084 823253164 /nfs/dbraw/zinc/25/31/64/823253164.db2.gz BJZQVSJAAHANOF-HXUWFJFHSA-N 0 1 376.504 4.234 20 0 GIADMN CN(C)[C@H](CNC(=O)N[C@H](CC(F)(F)F)c1ccccc1)c1cccc(F)c1 ZINC000057131356 823253306 /nfs/dbraw/zinc/25/33/06/823253306.db2.gz VMCYJTDXMXOIBL-QZTJIDSGSA-N 0 1 397.416 4.421 20 0 GIADMN COc1ccc([C@@H](CNC(=O)C(C)(C)c2ccc(F)cc2)N2CCCCC2)cc1 ZINC000409580707 823254050 /nfs/dbraw/zinc/25/40/50/823254050.db2.gz OABYHSNDVGDCTB-JOCHJYFZSA-N 0 1 398.522 4.455 20 0 GIADMN O=C(Cc1ccc(-c2ccccc2)cc1)NC1CCN(Cc2ccncc2)CC1 ZINC000057166470 823257744 /nfs/dbraw/zinc/25/77/44/823257744.db2.gz LUIITGOQEFXZOI-UHFFFAOYSA-N 0 1 385.511 4.072 20 0 GIADMN C[C@H](c1ccc(F)cc1)N1CC[C@@H](N2CCC(c3ccc(O)cc3)CC2)C1=O ZINC000571942654 823257849 /nfs/dbraw/zinc/25/78/49/823257849.db2.gz JGRWFIFZRUAKNB-OPAMFIHVSA-N 0 1 382.479 4.073 20 0 GIADMN O=C(Nc1ccc(NC(=O)[C@H]2CCCN2Cc2ccccc2)cc1)c1ccco1 ZINC000057153271 823255731 /nfs/dbraw/zinc/25/57/31/823255731.db2.gz SEFGQBHFATTYKG-HXUWFJFHSA-N 0 1 389.455 4.135 20 0 GIADMN COc1ccc(-c2n[nH]c(NC(=O)c3cccc(C4CCC4)c3)n2)c(OC)c1 ZINC000409592126 823256557 /nfs/dbraw/zinc/25/65/57/823256557.db2.gz PHJNGUGEAZAVRE-UHFFFAOYSA-N 0 1 378.432 4.009 20 0 GIADMN C[C@@H](NC(=O)CSc1n[nH]c(=S)s1)c1ccc(-c2cccnc2)cc1 ZINC000176659971 823259880 /nfs/dbraw/zinc/25/98/80/823259880.db2.gz LJNRSWUKTXDGQX-LLVKDONJSA-N 0 1 388.543 4.232 20 0 GIADMN CN(Cc1cc(Br)ccc1OCc1ccccn1)[C@@H]1CCCOC1 ZINC000571961507 823261046 /nfs/dbraw/zinc/26/10/46/823261046.db2.gz ZCLBIRPBLYLDDT-GOSISDBHSA-N 0 1 391.309 4.034 20 0 GIADMN CC[C@H](CS(=O)(=O)c1ccccc1)NCc1cscc1C(F)(F)F ZINC000571966941 823262202 /nfs/dbraw/zinc/26/22/02/823262202.db2.gz YHAHITQKEURBAK-CYBMUJFWSA-N 0 1 377.453 4.109 20 0 GIADMN Fc1cccc([C@@H]2CN(Cc3ccccc3)C[C@H]2NCc2ncc(C3CC3)o2)c1 ZINC000459770066 823262456 /nfs/dbraw/zinc/26/24/56/823262456.db2.gz RQXCOVRABWBFGU-FCHUYYIVSA-N 0 1 391.490 4.449 20 0 GIADMN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN(C)[C@H](C)Cc1cccc(F)c1 ZINC000459774952 823263493 /nfs/dbraw/zinc/26/34/93/823263493.db2.gz WSPHRBYWIYOPMR-MRXNPFEDSA-N 0 1 394.494 4.130 20 0 GIADMN C[C@@H](CN(C)[C@@H](C)c1nnc(-c2cccc(Cl)c2)o1)C(=O)OC(C)(C)C ZINC000459801762 823266220 /nfs/dbraw/zinc/26/62/20/823266220.db2.gz HIXCUNCHWCVQEY-STQMWFEESA-N 0 1 379.888 4.361 20 0 GIADMN COc1cc(C)c(Br)cc1S(=O)(=O)Nc1ccc2[nH]ccc2c1 ZINC000176682350 823266843 /nfs/dbraw/zinc/26/68/43/823266843.db2.gz FELAYZVXMABCAP-UHFFFAOYSA-N 0 1 395.278 4.048 20 0 GIADMN COc1ccc(NC(=O)N2CCCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)cn1 ZINC000571973576 823263598 /nfs/dbraw/zinc/26/35/98/823263598.db2.gz LXJKDPQLILOGOA-INIZCTEOSA-N 0 1 385.855 4.379 20 0 GIADMN Cc1ccc(NC(=O)NC[C@@H]2CCCN(Cc3cnc(C(C)(C)C)nc3)C2)cc1 ZINC000572022929 823270424 /nfs/dbraw/zinc/27/04/24/823270424.db2.gz BRAWOXNJTMSYGL-SFHVURJKSA-N 0 1 395.551 4.116 20 0 GIADMN CC(C)(C)c1nc2ccc(NC(=O)CCCNC(=O)[C@H]3CC=CCC3)cc2[nH]1 ZINC000409646692 823272672 /nfs/dbraw/zinc/27/26/72/823272672.db2.gz WWCNRHKGSIMSED-HNNXBMFYSA-N 0 1 382.508 4.052 20 0 GIADMN Cc1[nH]c(SCC(=O)NCc2cccc(Cl)c2)nc1Cc1ccccc1 ZINC000005312374 817573103 /nfs/dbraw/zinc/57/31/03/817573103.db2.gz GNJOPMJJGGBITA-UHFFFAOYSA-N 0 1 385.920 4.371 20 0 GIADMN CN(C)Cc1ccc(CNC(=O)[C@@H]2C[C@H]2c2ccc(C(F)(F)F)cc2)cc1F ZINC000121899433 823272819 /nfs/dbraw/zinc/27/28/19/823272819.db2.gz SICAEDVRCFCYLB-ZWKOTPCHSA-N 0 1 394.412 4.326 20 0 GIADMN CN(C)Cc1ccc(CNC(=O)[C@@H]2C[C@@H]2c2ccc(C(F)(F)F)cc2)cc1F ZINC000121899111 823272864 /nfs/dbraw/zinc/27/28/64/823272864.db2.gz SICAEDVRCFCYLB-QZTJIDSGSA-N 0 1 394.412 4.326 20 0 GIADMN CCC[C@H]1CCc2nc(NS(=O)(=O)c3ccc(CCOC)cc3)sc2C1 ZINC000409666585 823278291 /nfs/dbraw/zinc/27/82/91/823278291.db2.gz ONFYVLKGRHMMBA-HNNXBMFYSA-N 0 1 394.562 4.038 20 0 GIADMN Cc1ccc([C@H](NC/C=C/c2ccc(F)c(F)c2)[C@@H](C)S(C)(=O)=O)cc1 ZINC000572079482 823279429 /nfs/dbraw/zinc/27/94/29/823279429.db2.gz CRUKLKWKWFEKBQ-XHSUDLSASA-N 0 1 379.472 4.050 20 0 GIADMN Cc1ccc(-c2n[nH]c(SCC(=O)N(C)Cc3ccc(Cl)cc3)n2)cc1 ZINC000005868441 817625747 /nfs/dbraw/zinc/62/57/47/817625747.db2.gz NXKGGTUEBYTAJK-UHFFFAOYSA-N 0 1 386.908 4.184 20 0 GIADMN C[C@H]([NH2+]C[C@]1(O)CCC[C@H](C(F)(F)F)C1)c1ccc(Br)cc1[O-] ZINC000188627928 823276071 /nfs/dbraw/zinc/27/60/71/823276071.db2.gz QADQDXBLPVVMBB-PGUXBMHVSA-N 0 1 396.247 4.289 20 0 GIADMN CC[C@H](CC(C)C)C(=O)Nc1ccc(N2CCN(C)CC2)cc1C(F)(F)F ZINC000460023589 823280060 /nfs/dbraw/zinc/28/00/60/823280060.db2.gz XECQLODGVWZFRR-OAHLLOKOSA-N 0 1 385.474 4.468 20 0 GIADMN COc1ccc(-c2n[nH]c(SCC(=O)N[C@@H](C)c3ccc(C)c(C)c3)n2)cc1 ZINC000006141448 817661369 /nfs/dbraw/zinc/66/13/69/817661369.db2.gz VLFGDOFMARYDRV-HNNXBMFYSA-N 0 1 396.516 4.067 20 0 GIADMN CCN(C(=O)[C@H](C)Sc1nc(-c2ccc(OC)cc2)n[nH]1)c1ccccc1 ZINC000006141809 817661879 /nfs/dbraw/zinc/66/18/79/817661879.db2.gz GXMJJVKKYALYOO-AWEZNQCLSA-N 0 1 382.489 4.014 20 0 GIADMN COc1ccc(C(=O)Nc2ccc3nc([C@H]4CCCO4)[nH]c3c2)c(OC(C)C)c1 ZINC000188681647 823285366 /nfs/dbraw/zinc/28/53/66/823285366.db2.gz IPNNEEXRLZFMTI-LJQANCHMSA-N 0 1 395.459 4.463 20 0 GIADMN C[C@@H](NC(=O)c1oc2ccccc2c1CSc1cccs1)c1nnc[nH]1 ZINC000176736533 823281335 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JFTFOCMOIXFSTA-LLVKDONJSA-N 0 1 383.275 4.300 20 0 GIADMN CC(C)c1noc(CSc2nc(-c3ccc(Br)cc3)n[nH]2)n1 ZINC000029140338 820397919 /nfs/dbraw/zinc/39/79/19/820397919.db2.gz AGOAHLSYHLZUFJ-UHFFFAOYSA-N 0 1 380.271 4.033 20 0 GIADMN O=C(NCCN1CCCCC1)c1sc(-c2ccco2)nc1-c1ccccc1 ZINC000058980300 823478430 /nfs/dbraw/zinc/47/84/30/823478430.db2.gz YSDZNHHEPFAABJ-UHFFFAOYSA-N 0 1 381.501 4.286 20 0 GIADMN O=C(NCC1(N2CCSCC2)CCCC1)c1cc2c(cccc2F)s1 ZINC000029368603 820445198 /nfs/dbraw/zinc/44/51/98/820445198.db2.gz GNCYAUWEEYPXES-UHFFFAOYSA-N 0 1 378.538 4.132 20 0 GIADMN C[C@H](c1nnc(-c2ccc(Cl)c(Cl)c2)o1)N1CCN(CC2CC2)CC1 ZINC000123228185 823481685 /nfs/dbraw/zinc/48/16/85/823481685.db2.gz NWDWKMODCLKUJC-GFCCVEGCSA-N 0 1 381.307 4.132 20 0 GIADMN CC(=O)Nc1ccc(OC[C@H](O)CN[C@H](C)c2ccc(Cl)cc2Cl)cc1 ZINC000029698811 820500095 /nfs/dbraw/zinc/50/00/95/820500095.db2.gz ZDAFICGSFZCOBL-MLGOLLRUSA-N 0 1 397.302 4.042 20 0 GIADMN CC(C)Oc1ccc(CNC(=O)NC[C@@H](c2ccco2)N2CCCCC2)cc1 ZINC000059037227 823484265 /nfs/dbraw/zinc/48/42/65/823484265.db2.gz GICPSXKKVVCJFT-FQEVSTJZSA-N 0 1 385.508 4.093 20 0 GIADMN CN(CC(=O)Nc1ccnn1Cc1ccccc1Cl)[C@H]1CCc2ccccc21 ZINC000029810944 820522922 /nfs/dbraw/zinc/52/29/22/820522922.db2.gz XGDIJDKMHAALST-FQEVSTJZSA-N 0 1 394.906 4.143 20 0 GIADMN COc1ccccc1[C@@H]1CC[N@@H+](Cc2nc3ccccc3c(C)c2C(=O)[O-])C1 ZINC000573379443 823486383 /nfs/dbraw/zinc/48/63/83/823486383.db2.gz IBQXGZKIQODTHE-MRXNPFEDSA-N 0 1 376.456 4.240 20 0 GIADMN Cc1cc([C@@H](C)NC(=O)CCn2c(=O)c3ccccc3[nH]c2=S)c(C)s1 ZINC000029842868 820530875 /nfs/dbraw/zinc/53/08/75/820530875.db2.gz HTZGSXXAQZRRNN-GFCCVEGCSA-N 0 1 387.530 4.005 20 0 GIADMN COc1ccc(S(=O)(=O)Nc2ccc3oc(C4CC4)nc3c2)c(Cl)c1 ZINC000573401419 823488464 /nfs/dbraw/zinc/48/84/64/823488464.db2.gz PWAOIUNIKTWIEM-UHFFFAOYSA-N 0 1 378.837 4.168 20 0 GIADMN COc1cc([C@@H](C)N[C@H](C)C(=O)NC2CCC(C)CC2)ccc1OC(C)C ZINC000030492472 820622407 /nfs/dbraw/zinc/62/24/07/820622407.db2.gz DVMVDHNWLLXUFU-VZDIDWBNSA-N 0 1 376.541 4.216 20 0 GIADMN COc1cc([C@H](C)N[C@@H](C)C(=O)Nc2ccc(N(C)C)cc2)ccc1OC(C)C ZINC000030492475 820622498 /nfs/dbraw/zinc/62/24/98/820622498.db2.gz AADATNMXKOYDBX-IRXDYDNUSA-N 0 1 399.535 4.226 20 0 GIADMN COc1cc([C@H](C)N[C@@H](C)C(=O)NC2CCC(C)CC2)ccc1OC(C)C ZINC000030492471 820622706 /nfs/dbraw/zinc/62/27/06/820622706.db2.gz DVMVDHNWLLXUFU-VIHIWDAPSA-N 0 1 376.541 4.216 20 0 GIADMN C[C@H](NCc1cccc(COCc2ccco2)c1)C(=O)Nc1cccnc1Cl ZINC000030511224 820627992 /nfs/dbraw/zinc/62/79/92/820627992.db2.gz DLDYQFHESCGJII-HNNXBMFYSA-N 0 1 399.878 4.162 20 0 GIADMN CC(C)Cn1c(C2CC2)nnc1N1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000460736734 823500222 /nfs/dbraw/zinc/50/02/22/823500222.db2.gz MTVMTWGNVHBTRH-UHFFFAOYSA-N 0 1 387.959 4.177 20 0 GIADMN O=C(Nc1ccc2nc(Cc3ccccc3F)[nH]c2c1)[C@H]1Cc2ccccc2O1 ZINC000059422204 823496166 /nfs/dbraw/zinc/49/61/66/823496166.db2.gz UYVMERFKBJGJQN-OAQYLSRUSA-N 0 1 387.414 4.235 20 0 GIADMN O=C(Nc1nc2ccc(OC(F)(F)F)cc2s1)c1cccc2c[nH]nc21 ZINC000030699270 820667499 /nfs/dbraw/zinc/66/74/99/820667499.db2.gz BGLDRWYZKJYCKL-UHFFFAOYSA-N 0 1 378.335 4.324 20 0 GIADMN CCCCCC(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccccc2OC)c1 ZINC000030713626 820669743 /nfs/dbraw/zinc/66/97/43/820669743.db2.gz PKBJCKNKBIPENZ-UHFFFAOYSA-N 0 1 390.505 4.323 20 0 GIADMN COc1ccc2nc(SCc3cccc(C(=O)NCc4ccco4)c3)[nH]c2c1 ZINC000059738247 823497768 /nfs/dbraw/zinc/49/77/68/823497768.db2.gz BPVCNQNMPFWDKO-UHFFFAOYSA-N 0 1 393.468 4.387 20 0 GIADMN Cc1ccc2cc(CN3CCCN(C(=O)CCc4ccccc4)CC3)ccc2n1 ZINC000189807052 823498392 /nfs/dbraw/zinc/49/83/92/823498392.db2.gz BSWIIBWVAJJWIU-UHFFFAOYSA-N 0 1 387.527 4.210 20 0 GIADMN COc1ncccc1CNCc1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000030901371 820705222 /nfs/dbraw/zinc/70/52/22/820705222.db2.gz MMSSAJONDNZMCT-UHFFFAOYSA-N 0 1 390.512 4.353 20 0 GIADMN O=C(NCc1ccc(F)cc1)NC[C@H](c1ccccc1Cl)N1CCCC1 ZINC000030989449 820717188 /nfs/dbraw/zinc/71/71/88/820717188.db2.gz RDDULBDKCNKQHK-LJQANCHMSA-N 0 1 375.875 4.115 20 0 GIADMN COc1ccc2cc(CNC(=O)NC[C@H](c3cccc(F)c3)N(C)C)ccc2c1 ZINC000031032836 820725299 /nfs/dbraw/zinc/72/52/99/820725299.db2.gz SRDYEKKNGUVAPT-JOCHJYFZSA-N 0 1 395.478 4.090 20 0 GIADMN O=C(Nc1ccccc1)[C@H]1CCCN(Cc2ncc(-c3cccc(F)c3)o2)C1 ZINC000177643891 823506409 /nfs/dbraw/zinc/50/64/09/823506409.db2.gz PQXGHLGHFTUYGR-KRWDZBQOSA-N 0 1 379.435 4.331 20 0 GIADMN COC(=O)c1ccc(CN(Cc2ccc(C(=O)OC)o2)[C@@H]2CCC[C@@H](C)C2)o1 ZINC000031471821 820815534 /nfs/dbraw/zinc/81/55/34/820815534.db2.gz LBKVEXASEUTNHV-HUUCEWRRSA-N 0 1 389.448 4.027 20 0 GIADMN Cc1cc(C)n(-c2ccccc2NS(=O)(=O)c2ccc(F)c(Cl)c2)n1 ZINC000031535178 820822493 /nfs/dbraw/zinc/82/24/93/820822493.db2.gz LGCFCRIXPRKTHZ-UHFFFAOYSA-N 0 1 379.844 4.082 20 0 GIADMN Cc1noc(Cl)c1CCC(=O)NC[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC000060099370 823508263 /nfs/dbraw/zinc/50/82/63/823508263.db2.gz KLFANNIJGUOCDC-KRWDZBQOSA-N 0 1 396.318 4.176 20 0 GIADMN C[C@@H](C(=O)NC[C@H](c1ccccc1Cl)N1CCCC1)n1cnc2ccccc21 ZINC000031810598 820863553 /nfs/dbraw/zinc/86/35/53/820863553.db2.gz JOKVDLYOPAFOHV-HRAATJIYSA-N 0 1 396.922 4.204 20 0 GIADMN Cc1cc(OCC(=O)Nc2ccc3nc([C@H]4CCCO4)[nH]c3c2)ccc1Cl ZINC000060166548 823510784 /nfs/dbraw/zinc/51/07/84/823510784.db2.gz SYKBWPJDQPNAHB-GOSISDBHSA-N 0 1 385.851 4.394 20 0 GIADMN COc1ccc(-c2n[nH]c(NC(=O)c3cc(Cl)cc(Cl)c3)n2)c(OC)c1 ZINC000060200156 823511623 /nfs/dbraw/zinc/51/16/23/823511623.db2.gz CYFHNKXSSLVNCD-UHFFFAOYSA-N 0 1 393.230 4.048 20 0 GIADMN CC(C)(C)c1cc(C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)no1 ZINC000460790163 823513129 /nfs/dbraw/zinc/51/31/29/823513129.db2.gz LFTJQFQVECFZPC-UHFFFAOYSA-N 0 1 375.900 4.020 20 0 GIADMN O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1ccccc1C(=O)c1ccccc1 ZINC000032217557 820903455 /nfs/dbraw/zinc/90/34/55/820903455.db2.gz NRJONODYKCTXRK-DEOSSOPVSA-N 0 1 398.506 4.485 20 0 GIADMN O=C(NCc1ccc(COc2ccccc2)cc1)c1c[nH]c2ccccc2c1=O ZINC000032304751 820911052 /nfs/dbraw/zinc/91/10/52/820911052.db2.gz DUYYWIIGIUUARV-UHFFFAOYSA-N 0 1 384.435 4.037 20 0 GIADMN CCN(CC)[C@@H](CNC(=O)Cc1noc2ccccc21)c1ccccc1Cl ZINC000032316953 820914101 /nfs/dbraw/zinc/91/41/01/820914101.db2.gz WMYAOCYNAUDMOL-IBGZPJMESA-N 0 1 385.895 4.223 20 0 GIADMN COc1cc(CNCc2ccccc2CO)ccc1OCc1ccc(F)cc1 ZINC000123513032 823516262 /nfs/dbraw/zinc/51/62/62/823516262.db2.gz VULIMIYUSZJNSE-UHFFFAOYSA-N 0 1 381.447 4.195 20 0 GIADMN CN(C)[C@@H](CNC(=O)CCCc1ncc(-c2ccccc2)o1)c1cccc(F)c1 ZINC000032483716 820956847 /nfs/dbraw/zinc/95/68/47/820956847.db2.gz QBNSKDNFLZGEIF-FQEVSTJZSA-N 0 1 395.478 4.223 20 0 GIADMN Cc1ccc(CCC(=O)N[C@H](C)c2cc(F)ccc2N2CCN(C)CC2)c(C)c1 ZINC000060344036 823517458 /nfs/dbraw/zinc/51/74/58/823517458.db2.gz MIPCMYXSZSOEJQ-LJQANCHMSA-N 0 1 397.538 4.004 20 0 GIADMN COc1ccc(-c2noc(CSc3nc(-c4ccc(Cl)cc4)n[nH]3)n2)cc1 ZINC000032563638 820969566 /nfs/dbraw/zinc/96/95/66/820969566.db2.gz BKLVENDTKVTASP-UHFFFAOYSA-N 0 1 399.863 4.476 20 0 GIADMN O=S(=O)(Nc1cccc2cccnc21)c1ccc(OC(F)F)c(Cl)c1 ZINC000032588912 820973871 /nfs/dbraw/zinc/97/38/71/820973871.db2.gz BZTXJMZRMGSTAN-UHFFFAOYSA-N 0 1 384.791 4.290 20 0 GIADMN Cc1ccc([C@@H](CNC(=O)c2ccc(Oc3cccnc3)cc2)N2CCCC2)o1 ZINC000060354857 823518796 /nfs/dbraw/zinc/51/87/96/823518796.db2.gz UCRFQVTUDIBKAA-OAQYLSRUSA-N 0 1 391.471 4.342 20 0 GIADMN Cc1ccc([C@H](CNC(=O)c2cccnc2SC(F)(F)F)N2CCCC2)o1 ZINC000060354880 823518822 /nfs/dbraw/zinc/51/88/22/823518822.db2.gz RELJZVQKZJOMOP-AWEZNQCLSA-N 0 1 399.438 4.162 20 0 GIADMN Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)c1c[nH]c2ccccc2c1=O ZINC000032720030 820996973 /nfs/dbraw/zinc/99/69/73/820996973.db2.gz KYDCJZIRCNGFAA-UHFFFAOYSA-N 0 1 376.500 4.415 20 0 GIADMN CCOc1cccc2[nH]cc(CC(=O)Nc3[nH]nc(-c4ccc(C)o4)c3C)c21 ZINC000189975860 823520218 /nfs/dbraw/zinc/52/02/18/823520218.db2.gz POQXDHZTGKYZEZ-UHFFFAOYSA-N 0 1 378.432 4.348 20 0 GIADMN CN(C)[C@H](CNC(=O)c1csc(-c2ccc(F)cc2)n1)c1cccc(F)c1 ZINC000032729772 820998872 /nfs/dbraw/zinc/99/88/72/820998872.db2.gz DIUWAAGPMOAUMR-GOSISDBHSA-N 0 1 387.455 4.121 20 0 GIADMN CCN(CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2)Cc1ccccc1 ZINC000032758289 821003739 /nfs/dbraw/zinc/00/37/39/821003739.db2.gz MRVGJIMWVKWBCV-NRFANRHFSA-N 0 1 394.515 4.034 20 0 GIADMN CC(C)(C)c1nc2ccc(NC(=O)CCc3nc(C4CCCC4)no3)cc2[nH]1 ZINC000177759784 823521857 /nfs/dbraw/zinc/52/18/57/823521857.db2.gz RIQQLNAJFPZBOC-UHFFFAOYSA-N 0 1 381.480 4.472 20 0 GIADMN CCO[C@H]1C[C@@](CO)(NCC(=O)Nc2c(C(C)C)cccc2C(C)C)C1(C)C ZINC000189995032 823523218 /nfs/dbraw/zinc/52/32/18/823523218.db2.gz OMZSYNZRFUIQFX-CVDCTZTESA-N 0 1 390.568 4.028 20 0 GIADMN CN(C)[C@H](CNC(=O)c1ccccc1OCc1ccc(F)cc1)c1cccs1 ZINC000033471542 821056003 /nfs/dbraw/zinc/05/60/03/821056003.db2.gz MLKKCVWDLUJUFM-LJQANCHMSA-N 0 1 398.503 4.499 20 0 GIADMN CC(C)c1cccc(C(C)C)c1NC(=O)N1CCN(CC(C)(C)O)[C@H](C)C1 ZINC000190034318 823528875 /nfs/dbraw/zinc/52/88/75/823528875.db2.gz CUQHRZJJTKJTMU-QGZVFWFLSA-N 0 1 375.557 4.242 20 0 GIADMN CC[C@@H](Oc1ccccc1F)C(=O)Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1 ZINC000177775458 823524300 /nfs/dbraw/zinc/52/43/00/823524300.db2.gz QRHDLKKAPQBDCH-MJGOQNOKSA-N 0 1 383.423 4.350 20 0 GIADMN C[C@H](NCc1ccc(Cn2cncn2)cc1)c1nc(-c2ccccc2)cs1 ZINC000177777167 823524785 /nfs/dbraw/zinc/52/47/85/823524785.db2.gz XVYDUWQBXZBMCU-INIZCTEOSA-N 0 1 375.501 4.301 20 0 GIADMN COCCc1ccccc1NC(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000190009765 823525117 /nfs/dbraw/zinc/52/51/17/823525117.db2.gz ACJAEOTYBOPUHO-IBGZPJMESA-N 0 1 380.532 4.157 20 0 GIADMN Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(F)cc1Br ZINC000037408669 821092025 /nfs/dbraw/zinc/09/20/25/821092025.db2.gz BQPQIFISGZZEKF-UHFFFAOYSA-N 0 1 378.650 4.351 20 0 GIADMN COc1cc(F)c([C@@H](C)NC[C@@H](O)c2ccccc2C(F)(F)F)cc1OC ZINC000177780045 823525334 /nfs/dbraw/zinc/52/53/34/823525334.db2.gz NHDMQOITRCXGNV-BDJLRTHQSA-N 0 1 387.373 4.246 20 0 GIADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)CC[C@H](C)c1ccccc1 ZINC000123659148 823529657 /nfs/dbraw/zinc/52/96/57/823529657.db2.gz JQHKFVZQAGUXRC-IBGZPJMESA-N 0 1 395.547 4.360 20 0 GIADMN Cc1ccc([C@@H](CNC(=O)c2c(F)c(F)cc(F)c2F)N2CCCC2)cc1 ZINC000177782613 823525582 /nfs/dbraw/zinc/52/55/82/823525582.db2.gz YXKHZGQWKJYAMM-MRXNPFEDSA-N 0 1 380.385 4.118 20 0 GIADMN CCN1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(F)c(F)c2)CC1 ZINC000039516390 821109074 /nfs/dbraw/zinc/10/90/74/821109074.db2.gz UIQRSSUVVOXUPE-UHFFFAOYSA-N 0 1 379.838 4.012 20 0 GIADMN O=C(Nc1ccccc1C(=O)NCc1ccccc1)c1cc(-c2ccccc2)n[nH]1 ZINC000039551243 821112900 /nfs/dbraw/zinc/11/29/00/821112900.db2.gz KUTOSVBAIGVFJE-UHFFFAOYSA-N 0 1 396.450 4.259 20 0 GIADMN Brc1ccc2nc(CSc3nc(-c4cccnc4)n[nH]3)oc2c1 ZINC000460866977 823532272 /nfs/dbraw/zinc/53/22/72/823532272.db2.gz VWYBNZZMKLEXJH-UHFFFAOYSA-N 0 1 388.250 4.063 20 0 GIADMN COc1ccccc1[C@@H](CNC(=O)CCCOc1ccccc1)N1CCCCC1 ZINC000040615259 821162217 /nfs/dbraw/zinc/16/22/17/821162217.db2.gz VWNRFYPNTAUAOJ-JOCHJYFZSA-N 0 1 396.531 4.198 20 0 GIADMN CC1CCN([C@H](CNC(=O)CCC(=O)c2ccc(F)cc2)c2ccccc2)CC1 ZINC000040654480 821164104 /nfs/dbraw/zinc/16/41/04/821164104.db2.gz SLJDHLJGPRYQKF-JOCHJYFZSA-N 0 1 396.506 4.378 20 0 GIADMN O=S(=O)(Nc1ccc2[nH]ccc2c1)c1ccc(Br)cc1Cl ZINC000040810411 821164722 /nfs/dbraw/zinc/16/47/22/821164722.db2.gz ZWJWDVVPDAJTOH-UHFFFAOYSA-N 0 1 385.670 4.385 20 0 GIADMN CN(C)[C@@H](CNC(=O)CCc1ncc(-c2ccccc2)o1)c1ccc(Cl)cc1 ZINC000041020095 821167173 /nfs/dbraw/zinc/16/71/73/821167173.db2.gz KEFYNPFKDJJJPP-IBGZPJMESA-N 0 1 397.906 4.347 20 0 GIADMN COc1ccc([C@H](CNC(=O)c2cc3cccc(C)c3o2)N2CCCC2)cc1 ZINC000041330232 821183134 /nfs/dbraw/zinc/18/31/34/821183134.db2.gz JROGGTALOCFPAY-FQEVSTJZSA-N 0 1 378.472 4.317 20 0 GIADMN O=C(Cc1c[nH]c2ccccc12)NC[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC000041400524 821188799 /nfs/dbraw/zinc/18/87/99/821188799.db2.gz XZWJVTYNRFGHJN-OAQYLSRUSA-N 0 1 381.907 4.317 20 0 GIADMN Cc1csc([C@@H](C#N)C(=O)c2ccccc2OCc2cn3ccccc3n2)n1 ZINC000041516546 821203772 /nfs/dbraw/zinc/20/37/72/821203772.db2.gz NJFPNRZPSSBZTC-KRWDZBQOSA-N 0 1 388.452 4.168 20 0 GIADMN Cc1csc(C(C#N)C(=O)c2ccccc2OCc2cn3ccccc3n2)n1 ZINC000041516546 821203780 /nfs/dbraw/zinc/20/37/80/821203780.db2.gz NJFPNRZPSSBZTC-KRWDZBQOSA-N 0 1 388.452 4.168 20 0 GIADMN CCOC(=O)Nc1ccc(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)cc1 ZINC000041557945 821209883 /nfs/dbraw/zinc/20/98/83/821209883.db2.gz GTTJDWJGEXQFBP-AWEZNQCLSA-N 0 1 398.369 4.490 20 0 GIADMN CCOC(=O)Nc1ccc(C(=O)C(C#N)c2nc3ccccc3n2C(F)F)cc1 ZINC000041557945 821209892 /nfs/dbraw/zinc/20/98/92/821209892.db2.gz GTTJDWJGEXQFBP-AWEZNQCLSA-N 0 1 398.369 4.490 20 0 GIADMN Cc1cc(C(C#N)C(=O)CCCOc2ccc(Cl)cc2Cl)nc(C)n1 ZINC000041574314 821212443 /nfs/dbraw/zinc/21/24/43/821212443.db2.gz AVFBMKLZAIQNQQ-AWEZNQCLSA-N 0 1 378.259 4.436 20 0 GIADMN CN1CC[C@H](CNC(=O)c2ccc3[nH]ccc3c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123752211 823537467 /nfs/dbraw/zinc/53/74/67/823537467.db2.gz OAXHJRRTFWKXCW-UZLBHIALSA-N 0 1 385.870 4.383 20 0 GIADMN CCN(CC)Cc1ccc(C(=O)Nc2nc3cc(OC)c(OC)cc3s2)o1 ZINC000041820546 821234116 /nfs/dbraw/zinc/23/41/16/821234116.db2.gz ZIOCCJQWQQLDTP-UHFFFAOYSA-N 0 1 389.477 4.001 20 0 GIADMN O=C(Nc1ccccc1SCC(F)(F)F)c1cc(=O)c2ccccc2[nH]1 ZINC000041868121 821240275 /nfs/dbraw/zinc/24/02/75/821240275.db2.gz WOHQEQZKWCDKSF-UHFFFAOYSA-N 0 1 378.375 4.435 20 0 GIADMN O=C(Nc1ccccc1)Nc1cccc(NC(=O)c2cc(=O)c3ccccc3[nH]2)c1 ZINC000041868811 821240471 /nfs/dbraw/zinc/24/04/71/821240471.db2.gz BWBNLHDXKBTGOA-UHFFFAOYSA-N 0 1 398.422 4.424 20 0 GIADMN CN1CC[C@H](CNC(=O)CCOc2ccccc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123763126 823538660 /nfs/dbraw/zinc/53/86/60/823538660.db2.gz RQJNLTFGDNQBTF-IERDGZPVSA-N 0 1 390.886 4.057 20 0 GIADMN COc1ccccc1[C@@H](CNC(=O)c1c(C)[nH]c2ccccc21)N1CCCC1 ZINC000041949681 821249231 /nfs/dbraw/zinc/24/92/31/821249231.db2.gz MEXJGUVVEJJSDZ-HXUWFJFHSA-N 0 1 377.488 4.052 20 0 GIADMN COCc1cccc(C(=O)NC[C@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000123767816 823539101 /nfs/dbraw/zinc/53/91/01/823539101.db2.gz VALICNFLRSNEPB-XLIONFOSSA-N 0 1 390.886 4.048 20 0 GIADMN C[C@H](NC(=O)c1c[nH]c2ccccc2c1=O)c1cc(F)c(Cl)cc1Cl ZINC000042017884 821254030 /nfs/dbraw/zinc/25/40/30/821254030.db2.gz YWCFBLOHEFKMRS-VIFPVBQESA-N 0 1 379.218 4.465 20 0 GIADMN Cc1nc2ccc(NC(=O)c3cccnc3SCc3c(C)noc3C)cc2[nH]1 ZINC000042060156 821258499 /nfs/dbraw/zinc/25/84/99/821258499.db2.gz OECIBJNFXXESLS-UHFFFAOYSA-N 0 1 393.472 4.416 20 0 GIADMN CCN(CC)Cc1ccc(C(=O)N2CCC[C@H]2c2ccc(OC)c(OC)c2)o1 ZINC000042062979 821259122 /nfs/dbraw/zinc/25/91/22/821259122.db2.gz SRPLJLKWRWHPKT-SFHVURJKSA-N 0 1 386.492 4.116 20 0 GIADMN CC(=O)Nc1cccc([C@@H](C)NCc2cccc(C(=O)N3CCCCC3)c2)c1 ZINC000177874299 823539747 /nfs/dbraw/zinc/53/97/47/823539747.db2.gz ZSBIPCSEWICPFF-QGZVFWFLSA-N 0 1 379.504 4.122 20 0 GIADMN C[C@H]1CN(C(=O)Nc2ccc(SC3CCCC3)cc2)CCN1CC(C)(C)O ZINC000190120317 823540088 /nfs/dbraw/zinc/54/00/88/823540088.db2.gz UFUQPQPLECWKAR-INIZCTEOSA-N 0 1 391.581 4.030 20 0 GIADMN O=C(c1ccc(CNCc2csc(Br)c2)cc1)N1CCCC1 ZINC000042187215 821281253 /nfs/dbraw/zinc/28/12/53/821281253.db2.gz DWOBNSKIZDVRHH-UHFFFAOYSA-N 0 1 379.323 4.036 20 0 GIADMN COc1cc(CN[C@@H](C)c2ccc(OCC(C)C)c(OC)c2)cc2c1OCO2 ZINC000042201785 821282863 /nfs/dbraw/zinc/28/28/63/821282863.db2.gz JFYHTKWHYIYECT-HNNXBMFYSA-N 0 1 387.476 4.318 20 0 GIADMN CCS(=O)(=O)c1ccc(O)c(NC(=O)c2cc3ccc(C(C)C)cc3[nH]2)c1 ZINC000042348848 821303277 /nfs/dbraw/zinc/30/32/77/821303277.db2.gz TXPCCHUNXYSCGA-UHFFFAOYSA-N 0 1 386.473 4.043 20 0 GIADMN COc1cccc([C@H](CNC(=O)c2cc(SC)ccc2Cl)N(C)C)c1 ZINC000042674250 821323944 /nfs/dbraw/zinc/32/39/44/821323944.db2.gz ITLNSAPPBRRUQX-SFHVURJKSA-N 0 1 378.925 4.103 20 0 GIADMN CN1CCN(c2ccc(NC(=O)C3(c4cccc(Cl)c4)CCC3)cc2)CC1 ZINC000042687802 821324570 /nfs/dbraw/zinc/32/45/70/821324570.db2.gz HHEYROSLWSIHLI-UHFFFAOYSA-N 0 1 383.923 4.152 20 0 GIADMN Cc1ccc(C)c(NC(=O)NCc2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC000043122749 821364497 /nfs/dbraw/zinc/36/44/97/821364497.db2.gz SCROVPBHEZPUMZ-KDURUIRLSA-N 0 1 381.520 4.234 20 0 GIADMN C[C@@H]1CN(Cc2ccc(CNC(=O)Nc3ccccc3Cl)cc2)C[C@@H](C)O1 ZINC000043146690 821368528 /nfs/dbraw/zinc/36/85/28/821368528.db2.gz MXMZZHSTLPPPDX-HZPDHXFCSA-N 0 1 387.911 4.271 20 0 GIADMN CCN(Cc1ccccc1Cl)C(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000043168118 821372895 /nfs/dbraw/zinc/37/28/95/821372895.db2.gz RPIMMRZOJLUUIZ-GOSISDBHSA-N 0 1 375.900 4.302 20 0 GIADMN CC(C)CN1CCO[C@H](CNC(=O)Nc2c(C(C)C)cccc2C(C)C)C1 ZINC000043171393 821373728 /nfs/dbraw/zinc/37/37/28/821373728.db2.gz XMTATLZYMSSYLF-GOSISDBHSA-N 0 1 375.557 4.412 20 0 GIADMN CC[C@H](N[C@@H](C)c1nc(=O)c2c(C)c(C)sc2[nH]1)c1ccc2c(c1)OCCO2 ZINC000180633699 821376009 /nfs/dbraw/zinc/37/60/09/821376009.db2.gz LYLJPWCJHIYERX-WFASDCNBSA-N 0 1 399.516 4.175 20 0 GIADMN CCc1cc2c(C[NH2+][C@H](CC)c3ccc4c(c3)OCCO4)cc(=O)oc2cc1[O-] ZINC000180633774 821376661 /nfs/dbraw/zinc/37/66/61/821376661.db2.gz ANJRGVJBFCDKON-GOSISDBHSA-N 0 1 395.455 4.073 20 0 GIADMN CN(Cc1cn(C)nc1-c1cccnc1)Cc1cccc(OC(F)(F)F)c1 ZINC000180645983 821381024 /nfs/dbraw/zinc/38/10/24/821381024.db2.gz YJLOMKQPSUPYGF-UHFFFAOYSA-N 0 1 376.382 4.013 20 0 GIADMN CN(C)[C@H](CNC(=O)Nc1ccc(Br)cc1F)c1ccsc1 ZINC000043259619 821381627 /nfs/dbraw/zinc/38/16/27/821381627.db2.gz BOUUNAYJTNUGNL-CQSZACIVSA-N 0 1 386.290 4.074 20 0 GIADMN COc1ccc(CN2CCCN(C(=O)Nc3ccc(F)cc3Cl)CC2)cc1 ZINC000043262866 821382600 /nfs/dbraw/zinc/38/26/00/821382600.db2.gz FFWUKWAIMNAZJQ-UHFFFAOYSA-N 0 1 391.874 4.228 20 0 GIADMN CC(C)[C@H]1CN(C)CCN1C(=O)Nc1cccc(CSc2ccccn2)c1 ZINC000180667620 821388535 /nfs/dbraw/zinc/38/85/35/821388535.db2.gz SBVGGMQEXVXTCT-LJQANCHMSA-N 0 1 384.549 4.178 20 0 GIADMN CC[C@@H](CSC)N(C)CC(=O)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000180677656 821392165 /nfs/dbraw/zinc/39/21/65/821392165.db2.gz UARWBHHAKLVKHM-INIZCTEOSA-N 0 1 391.562 4.012 20 0 GIADMN COc1ccc(NC(=O)NC[C@H](c2ccco2)N2CCCCC2)cc1Cl ZINC000043332298 821394444 /nfs/dbraw/zinc/39/44/44/821394444.db2.gz SMLSUFCULZMMPK-MRXNPFEDSA-N 0 1 377.872 4.290 20 0 GIADMN O=c1cc(CN2CCC(c3ccc(C(F)(F)F)cc3)CC2)nc2sccn21 ZINC000180699166 821401885 /nfs/dbraw/zinc/40/18/85/821401885.db2.gz HUMPWKFFVSRBOZ-UHFFFAOYSA-N 0 1 393.434 4.154 20 0 GIADMN COC(=O)[C@@H](Sc1nc(-c2cccnc2)n[nH]1)c1cccc(Cl)c1Cl ZINC000180699068 821401977 /nfs/dbraw/zinc/40/19/77/821401977.db2.gz DDUUIAWQEUFKKH-ZDUSSCGKSA-N 0 1 395.271 4.180 20 0 GIADMN O[C@]1(CN[C@@H](c2ccc(Br)cc2)c2ccccc2F)CCSC1 ZINC000180702244 821404511 /nfs/dbraw/zinc/40/45/11/821404511.db2.gz KZWKQJZGCJZHCS-ROUUACIJSA-N 0 1 396.325 4.135 20 0 GIADMN CC[C@@H]1CCCN(C(=O)Nc2cc(Cl)ccc2N2CCN(CC)CC2)C1 ZINC000043454520 821409831 /nfs/dbraw/zinc/40/98/31/821409831.db2.gz JUPCSEKSJQWFQB-MRXNPFEDSA-N 0 1 378.948 4.136 20 0 GIADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N1CC=C(c2ccccc2)CC1 ZINC000043490231 821416019 /nfs/dbraw/zinc/41/60/19/821416019.db2.gz CQFYSMLAHNLEIX-UHFFFAOYSA-N 0 1 390.531 4.068 20 0 GIADMN Cc1cc(N2CCCC2)ccc1NC(=O)NC[C@H](c1cccc(F)c1)N(C)C ZINC000043496781 821418268 /nfs/dbraw/zinc/41/82/68/821418268.db2.gz HNVOTDRIAYKMLS-OAQYLSRUSA-N 0 1 384.499 4.159 20 0 GIADMN Cc1nc(NC(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)sc1C ZINC000043550855 821425907 /nfs/dbraw/zinc/42/59/07/821425907.db2.gz DCQPHXHEQDMUAZ-UHFFFAOYSA-N 0 1 378.929 4.199 20 0 GIADMN O=C(NC[C@@H](c1cccs1)N1CCCC1)Nc1nc(C(F)(F)F)cs1 ZINC000043635335 821433872 /nfs/dbraw/zinc/43/38/72/821433872.db2.gz SKQBDYNLVNBVAP-JTQLQIEISA-N 0 1 390.456 4.182 20 0 GIADMN Clc1ccccc1[C@@H](NCCc1cscn1)c1ccc2c(c1)OCCO2 ZINC000180790718 821460025 /nfs/dbraw/zinc/46/00/25/821460025.db2.gz QQFXWCVCHNUFRC-FQEVSTJZSA-N 0 1 386.904 4.489 20 0 GIADMN O=C1CCCN1Cc1cccc(CNCc2ccc(Oc3ccccc3)o2)c1 ZINC000180792345 821461025 /nfs/dbraw/zinc/46/10/25/821461025.db2.gz OQBGTNFAZZGHTR-UHFFFAOYSA-N 0 1 376.456 4.484 20 0 GIADMN Cc1nc2cc(F)ccc2cc1C(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000043809937 821462531 /nfs/dbraw/zinc/46/25/31/821462531.db2.gz SYCKONBAAYTDID-UHFFFAOYSA-N 0 1 377.463 4.030 20 0 GIADMN Fc1ccc(-n2cc(CN3CCC[C@@H](n4ccc(C(F)(F)F)n4)C3)cn2)cc1 ZINC000180800407 821465492 /nfs/dbraw/zinc/46/54/92/821465492.db2.gz MUHFDRLKFAEMNT-QGZVFWFLSA-N 0 1 393.388 4.064 20 0 GIADMN Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)NCCS(=O)(=O)C(C)(C)C ZINC000180806465 821469674 /nfs/dbraw/zinc/46/96/74/821469674.db2.gz VPJIUNDAKYITAR-CQSZACIVSA-N 0 1 380.579 4.291 20 0 GIADMN C[C@H](NCC(=O)Nc1ccc(Cl)cc1Cl)c1ccc(-n2cccn2)cc1 ZINC000180844014 821490726 /nfs/dbraw/zinc/49/07/26/821490726.db2.gz VNJACQACNZYQJP-ZDUSSCGKSA-N 0 1 389.286 4.468 20 0 GIADMN CN(C)[C@H](CNC(=O)Nc1ccc(NC(=O)c2ccco2)cc1)c1ccsc1 ZINC000043975803 821496903 /nfs/dbraw/zinc/49/69/03/821496903.db2.gz LHSQCMGFTJQFPK-QGZVFWFLSA-N 0 1 398.488 4.018 20 0 GIADMN CC(C)(NCC(=O)Nc1ccccc1Br)c1ccc(F)c(F)c1 ZINC000180860662 821499569 /nfs/dbraw/zinc/49/95/69/821499569.db2.gz WHHMFULAWVNOSK-UHFFFAOYSA-N 0 1 383.236 4.191 20 0 GIADMN C[C@H](NCC(=O)NCC1(c2ccccc2)CC1)c1ccc(-c2ccncc2)cc1 ZINC000180884800 821512570 /nfs/dbraw/zinc/51/25/70/821512570.db2.gz JNAZHGDOPPSLKF-IBGZPJMESA-N 0 1 385.511 4.247 20 0 GIADMN CC(C)C(=O)Nc1cccc(NC(=O)NC[C@@H](c2ccco2)N2CCCCC2)c1 ZINC000044084463 821520120 /nfs/dbraw/zinc/52/01/20/821520120.db2.gz QRQLTEAISBNRBN-IBGZPJMESA-N 0 1 398.507 4.223 20 0 GIADMN CCOc1ccc(Cl)cc1[C@H](C)NCc1cccc(OCC(=O)OC)c1 ZINC000180910304 821531693 /nfs/dbraw/zinc/53/16/93/821531693.db2.gz SWFSJJQBSPUEHB-AWEZNQCLSA-N 0 1 377.868 4.141 20 0 GIADMN CC(C)[C@@H](NC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)c1nc(C2CC2)no1 ZINC000180922528 821539909 /nfs/dbraw/zinc/53/99/09/821539909.db2.gz FGMGEWUKEDQEKP-NPYXIHBLSA-N 0 1 390.528 4.164 20 0 GIADMN O=C(CSc1n[nH]c(=S)s1)N1CCCCC[C@@H]1/C=C/c1cccs1 ZINC000180925233 821540883 /nfs/dbraw/zinc/54/08/83/821540883.db2.gz MZWMUMWMYZSKBP-ABZNLYFFSA-N 0 1 397.616 4.465 20 0 GIADMN O=C(CN1CCCCCC1)Nc1ccc(NC(=S)NC2CCCCC2)cc1 ZINC000044191778 821543072 /nfs/dbraw/zinc/54/30/72/821543072.db2.gz GHUDZOQAFPPEKB-UHFFFAOYSA-N 0 1 388.581 4.120 20 0 GIADMN COc1cc(Br)ccc1CNC1(c2ccc(F)cc2)CCOCC1 ZINC000180940245 821548256 /nfs/dbraw/zinc/54/82/56/821548256.db2.gz FYGAQRCIFIUBPF-UHFFFAOYSA-N 0 1 394.284 4.392 20 0 GIADMN COC(=O)c1ccc(CN[C@@H](C)c2ccc(OCC(F)(F)F)cc2)c(F)c1 ZINC000180949349 821552464 /nfs/dbraw/zinc/55/24/64/821552464.db2.gz 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CS(=O)(=O)c1cccc([C@H](N[C@H]2CCC[C@@H](F)C2)c2ccc(F)cc2F)c1 ZINC000575123132 823917778 /nfs/dbraw/zinc/91/77/78/823917778.db2.gz XNOIMBRWMNAAIR-IIMJZQEZSA-N 0 1 397.462 4.328 20 0 GIADMN C[C@@H](NCCn1cc(Br)cn1)c1csc(-c2ccccc2)n1 ZINC000414167647 823921599 /nfs/dbraw/zinc/92/15/99/823921599.db2.gz SXDFMVWSPWEZDX-GFCCVEGCSA-N 0 1 377.311 4.120 20 0 GIADMN C[C@H](N[C@H]1c2sccc2OC(C)(C)[C@@H]1O)c1ccc(Br)s1 ZINC000414166581 823921885 /nfs/dbraw/zinc/92/18/85/823921885.db2.gz FEKRREUDCPGHDL-ORUWWINDSA-N 0 1 388.352 4.496 20 0 GIADMN COc1cc(CNC(=O)N2CCCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)ccn1 ZINC000575145148 823922731 /nfs/dbraw/zinc/92/27/31/823922731.db2.gz FVXANLXMUDMTBV-QGZVFWFLSA-N 0 1 399.882 4.057 20 0 GIADMN C#CCOc1ccccc1CNCc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000065014633 823924907 /nfs/dbraw/zinc/92/49/07/823924907.db2.gz LVRPIFFXFREOCL-UHFFFAOYSA-N 0 1 385.389 4.193 20 0 GIADMN Cc1cc(Cl)ccc1S(=O)(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000462326030 823925432 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4.252 20 0 GIADMN CCS(=O)(=O)c1cc(Cl)cc(CN[C@@H](C)c2ccc(F)c(OC)c2)c1 ZINC000414214967 823930808 /nfs/dbraw/zinc/93/08/08/823930808.db2.gz WFVUWKQBOJRZLW-LBPRGKRZSA-N 0 1 385.888 4.132 20 0 GIADMN CCCOc1ccc(Br)cc1CN[C@@H](CCO)c1ccccc1 ZINC000462340020 823930911 /nfs/dbraw/zinc/93/09/11/823930911.db2.gz WNSSYBICNQZWKS-SFHVURJKSA-N 0 1 378.310 4.451 20 0 GIADMN O=C(NCc1ccc2cc[nH]c2n1)N1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000462342472 823931887 /nfs/dbraw/zinc/93/18/87/823931887.db2.gz BPEKMKGQJOCRQJ-KRWDZBQOSA-N 0 1 394.866 4.139 20 0 GIADMN C[C@@H]1[C@H](c2ccc(Br)cc2)OCCN1CCCc1ccncc1 ZINC000462346120 823933543 /nfs/dbraw/zinc/93/35/43/823933543.db2.gz CGNIOFSNMLHNIS-DNVCBOLYSA-N 0 1 375.310 4.239 20 0 GIADMN C[C@@H]1C[C@H](N[C@H](c2ccc(Cl)cc2)c2cccc(S(C)(=O)=O)c2)CS1 ZINC000414226112 823933563 /nfs/dbraw/zinc/93/35/63/823933563.db2.gz JNVAFLUPSGYXFG-XVGQJIODSA-N 0 1 395.977 4.317 20 0 GIADMN C[C@@H](NCc1ccc(-n2cncn2)cc1)c1ccc(Br)cc1F ZINC000126722252 823935763 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721698163 /nfs/dbraw/zinc/69/81/63/721698163.db2.gz GZMAGHLGCBGVKZ-SFHVURJKSA-N 0 1 396.844 4.007 20 0 GIADMN COc1cccc(OC)c1CN1CCC(N(C)c2ccc(Cl)c(C)n2)CC1 ZINC001165021502 721840155 /nfs/dbraw/zinc/84/01/55/721840155.db2.gz NGYLGENHTRCVNF-UHFFFAOYSA-N 0 1 389.927 4.161 20 0 GIADMN CSc1nc(Cl)ncc1N1CCC[C@@]2(CCN2Cc2cccc(F)c2)C1 ZINC001164995400 722199681 /nfs/dbraw/zinc/19/96/81/722199681.db2.gz NPIHSEJIQNBMQN-LJQANCHMSA-N 0 1 392.931 4.236 20 0 GIADMN Cc1ccc2nc(N3CCC[C@]4(CCN4Cc4cccc(F)c4)C3)ncc2c1 ZINC001164994489 722201227 /nfs/dbraw/zinc/20/12/27/722201227.db2.gz ICVMTJDZCWJNHI-QHCPKHFHSA-N 0 1 376.479 4.322 20 0 GIADMN Fc1cccc(CN2CC[C@]23CCCN(c2nnc(Cl)c4ccoc42)C3)c1 ZINC001164993741 722203933 /nfs/dbraw/zinc/20/39/33/722203933.db2.gz AJWGJUDUHUHALJ-FQEVSTJZSA-N 0 1 386.858 4.260 20 0 GIADMN Cc1csc2cnc(N3CCC[C@@]4(CCN4Cc4cccc(F)c4)C3)nc12 ZINC001164993811 722206602 /nfs/dbraw/zinc/20/66/02/722206602.db2.gz BUMPGSAKZVLUQU-OAQYLSRUSA-N 0 1 382.508 4.384 20 0 GIADMN 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4.306 20 0 GIADMN Cc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CC[C@@H](C(=O)[O-])C2)c(C)c1 ZINC000414681530 824023177 /nfs/dbraw/zinc/02/31/77/824023177.db2.gz MMORUQUMAWDKFJ-GOSISDBHSA-N 0 1 375.472 4.063 20 0 GIADMN O=C(CNC1(c2ccc(F)cc2)CCOCC1)Nc1ccc(C(F)(F)F)cc1 ZINC000170971489 824023589 /nfs/dbraw/zinc/02/35/89/824023589.db2.gz AVTBODLWKIBJLM-UHFFFAOYSA-N 0 1 396.384 4.079 20 0 GIADMN COCc1ccc(NC(=O)N2CCC[C@H](c3nnc(-c4ccccc4)[nH]3)C2)cc1 ZINC000192546793 824027888 /nfs/dbraw/zinc/02/78/88/824027888.db2.gz HTGMUYYBGUWKRR-SFHVURJKSA-N 0 1 391.475 4.030 20 0 GIADMN CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)Cc1nnc(-c2ccccc2)o1 ZINC000170987929 824028556 /nfs/dbraw/zinc/02/85/56/824028556.db2.gz YCJYRJKHICLVMA-UHFFFAOYSA-N 0 1 391.450 4.330 20 0 GIADMN CC(C)C[C@@H](N)c1noc(CSc2nncn2-c2ccc(C(C)C)cc2)n1 ZINC000575922367 824030209 /nfs/dbraw/zinc/03/02/09/824030209.db2.gz UXVBDXZUTKVQJH-MRXNPFEDSA-N 0 1 386.525 4.112 20 0 GIADMN C[C@@H](OC(=O)CCCCc1cn[nH]n1)c1ccccc1NC(=O)c1ccccc1 ZINC000192567455 824034238 /nfs/dbraw/zinc/03/42/38/824034238.db2.gz DAYZXRZMRYKWFH-MRXNPFEDSA-N 0 1 392.459 4.074 20 0 GIADMN O=C(C1CCN(CCOc2cc(Cl)ccc2Cl)CC1)N1CCCCC1 ZINC000171015948 824038347 /nfs/dbraw/zinc/03/83/47/824038347.db2.gz HCNIHRGNPJCSAO-UHFFFAOYSA-N 0 1 385.335 4.097 20 0 GIADMN COC(=O)Nc1cc(NC(=O)c2cc(-c3ccccc3Cl)n[nH]2)ccc1F ZINC000171018404 824039109 /nfs/dbraw/zinc/03/91/09/824039109.db2.gz VRVRONOVZZIEKH-UHFFFAOYSA-N 0 1 388.786 4.300 20 0 GIADMN CC[C@H](C(=O)N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1)N(C)Cc1ccccc1 ZINC000575961955 824039209 /nfs/dbraw/zinc/03/92/09/824039209.db2.gz SJZBBEXFIBORHQ-VSKRKVRLSA-N 0 1 384.495 4.073 20 0 GIADMN COCc1ccc(NC(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)N(C)C)cc1 ZINC000192599418 824042234 /nfs/dbraw/zinc/04/22/34/824042234.db2.gz PMRTZYXMMNWRNK-SFHVURJKSA-N 0 1 395.425 4.276 20 0 GIADMN Cc1ccc(-c2ccncc2)cc1NS(=O)(=O)c1ccccc1OC(F)F ZINC000171054935 824049193 /nfs/dbraw/zinc/04/91/93/824049193.db2.gz ZQCWWTYBPDVUBE-UHFFFAOYSA-N 0 1 390.411 4.459 20 0 GIADMN Cc1ccc(Br)c(NC(=O)NC[C@H](c2cccc(F)c2)N(C)C)c1 ZINC000576016524 824050250 /nfs/dbraw/zinc/05/02/50/824050250.db2.gz BMTGUXXZARQWNX-QGZVFWFLSA-N 0 1 394.288 4.321 20 0 GIADMN COc1ccccc1[C@H](CNc1nc(C)nc2sc3c(c21)CCC3)N(C)C ZINC000007979206 221017347 /nfs/dbraw/zinc/01/73/47/221017347.db2.gz HHXVAJVZDMDRDR-INIZCTEOSA-N 0 1 382.533 4.212 20 0 GIADMN COc1cc(CN(Cc2cccc(F)c2)C[C@@H]2CCCO2)cc(OC)c1OC ZINC000013993963 221295460 /nfs/dbraw/zinc/29/54/60/221295460.db2.gz UBGZVYXLJAWPOF-IBGZPJMESA-N 0 1 389.467 4.033 20 0 GIADMN COc1ccc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)cc1F ZINC000071977251 222201251 /nfs/dbraw/zinc/20/12/51/222201251.db2.gz KFTBXBCZTURJBC-UHFFFAOYSA-N 0 1 383.750 4.307 20 0 GIADMN COc1ccc(C(=O)Nc2ccc3nc(-c4ccco4)[nH]c3c2)c(OC)c1OC ZINC000072005167 222202904 /nfs/dbraw/zinc/20/29/04/222202904.db2.gz SRDJZMGGRMAAGL-UHFFFAOYSA-N 0 1 393.399 4.101 20 0 GIADMN Cc1cccc([C@H]2CCCC[N@@H+]2Cc2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)c1C ZINC000832964772 601037437 /nfs/dbraw/zinc/03/74/37/601037437.db2.gz BGWTXXYONCQIEJ-HXUWFJFHSA-N 0 1 391.471 4.378 20 0 GIADMN Cc1cccc([C@H]2CCCC[N@H+]2Cc2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)c1C ZINC000832964772 601037440 /nfs/dbraw/zinc/03/74/40/601037440.db2.gz BGWTXXYONCQIEJ-HXUWFJFHSA-N 0 1 391.471 4.378 20 0 GIADMN COc1cc(Cl)cc(N2CCC3(CCCN3Cc3csc(C)n3)CC2)n1 ZINC001164692871 719808073 /nfs/dbraw/zinc/80/80/73/719808073.db2.gz NGEYPIXGTQJUAM-UHFFFAOYSA-N 0 1 392.956 4.144 20 0 GIADMN Cc1nc(CN2CCCC23CCN(c2nc(C)c(Cl)c(C)n2)CC3)cs1 ZINC001164692619 719810561 /nfs/dbraw/zinc/81/05/61/719810561.db2.gz LRCMCTUFOQACGW-UHFFFAOYSA-N 0 1 391.972 4.147 20 0 GIADMN CSCc1ccc(N2CCC3(CCCN3Cc3csc(C)n3)CC2)nc1 ZINC001164691574 719815334 /nfs/dbraw/zinc/81/53/34/719815334.db2.gz HULCJCUWCVVSNK-UHFFFAOYSA-N 0 1 388.606 4.345 20 0 GIADMN Cc1c(Cl)ccc2ccc(N3CCc4ncc(CN5CCCC5)n4CC3)nc21 ZINC001164736356 720575601 /nfs/dbraw/zinc/57/56/01/720575601.db2.gz KHBDZFHCPKTBCG-UHFFFAOYSA-N 0 1 395.938 4.052 20 0 GIADMN Cc1cc(Cl)ncc1C(F)(F)N1CCn2c(CN(C)C(C)C)cnc2[C@H]1C ZINC001164859919 720962895 /nfs/dbraw/zinc/96/28/95/720962895.db2.gz OLYAYAARBJJHFH-CQSZACIVSA-N 0 1 397.901 4.206 20 0 GIADMN Fc1ccc2nc(Cl)cc(N3C[C@H]4CN(Cc5nccs5)C[C@H]4C3)c2c1 ZINC001164787516 721401120 /nfs/dbraw/zinc/40/11/20/721401120.db2.gz POKVYXJYJQHADW-BETUJISGSA-N 0 1 388.899 4.052 20 0 GIADMN Fc1cnc(Cl)cc1N1CCC(F)(F)[C@@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164907515 721701407 /nfs/dbraw/zinc/70/14/07/721701407.db2.gz VCGGLKPQQAYHLP-GOSISDBHSA-N 0 1 396.844 4.007 20 0 GIADMN FC(F)(c1ccc(-c2ccc(Cl)nn2)cc1)N1CCN(C2CCCC2)CC1 ZINC001165032610 721859811 /nfs/dbraw/zinc/85/98/11/721859811.db2.gz TVFBUUKGQWWHGS-UHFFFAOYSA-N 0 1 392.881 4.407 20 0 GIADMN Cc1ccc(CN2CCOC3(CCN(c4cc5ccsc5cn4)CC3)C2)cc1 ZINC001164938617 721928022 /nfs/dbraw/zinc/92/80/22/721928022.db2.gz AWZWACAZOWCEDK-UHFFFAOYSA-N 0 1 393.556 4.476 20 0 GIADMN Clc1ccc(-c2ccccc2)c(N2CCN(CCc3ccccn3)CC2)n1 ZINC001165056529 722012788 /nfs/dbraw/zinc/01/27/88/722012788.db2.gz VEDTZPDHZFEYCX-UHFFFAOYSA-N 0 1 378.907 4.162 20 0 GIADMN CC(C)(c1ccnc(Cl)c1)N1CCC2(CC[C@H](C(=O)NCC3CC3)C2)CC1 ZINC001164984536 722092066 /nfs/dbraw/zinc/09/20/66/722092066.db2.gz WUMSSJXZWILIJN-KRWDZBQOSA-N 0 1 389.971 4.379 20 0 GIADMN Fc1cccc(CN2CC[C@@]23CCCN(c2cc(Cl)nc(C4CC4)n2)C3)c1 ZINC001164993879 722193525 /nfs/dbraw/zinc/19/35/25/722193525.db2.gz IHBSFSUNJXLYAS-OAQYLSRUSA-N 0 1 386.902 4.391 20 0 GIADMN CCO[C@@H]1C[C@@](N)(C(=O)Nc2nc(-c3ccccc3)c(C(C)C)s2)C1(C)C ZINC000187341559 823046066 /nfs/dbraw/zinc/04/60/66/823046066.db2.gz SQKJFQSQEYMFKU-QVKFZJNVSA-N 0 1 387.549 4.405 20 0 GIADMN CN(C(=O)c1ccc(-c2ccccc2OC(F)(F)F)o1)[C@H]1CCCN(C)C1 ZINC000187362609 823049959 /nfs/dbraw/zinc/04/99/59/823049959.db2.gz IOMCHWPGYBMRMA-ZDUSSCGKSA-N 0 1 382.382 4.011 20 0 GIADMN Cc1ccc2nc([C@@H]3CCCN(C(=O)c4cccnc4NC(C)C)C3)[nH]c2c1 ZINC000175834056 823050698 /nfs/dbraw/zinc/05/06/98/823050698.db2.gz CTNAHZHNXGDPRT-MRXNPFEDSA-N 0 1 377.492 4.106 20 0 GIADMN c1csc([C@@H](NCc2ccc(COc3ccccc3)cc2)c2nnc[nH]2)c1 ZINC000570532807 823050774 /nfs/dbraw/zinc/05/07/74/823050774.db2.gz CWGBLFMDKKHDMT-HXUWFJFHSA-N 0 1 376.485 4.324 20 0 GIADMN Clc1cccc(-c2nnc(CN3CCCN4c5ccccc5C[C@H]4C3)o2)c1 ZINC000570555306 823054098 /nfs/dbraw/zinc/05/40/98/823054098.db2.gz VUNCONOJLUSJNO-SFHVURJKSA-N 0 1 380.879 4.027 20 0 GIADMN Cn1c(CN2CCC[C@@H]2C[C@H](O)c2cccs2)nc2cc(Cl)ccc21 ZINC000175846262 823053834 /nfs/dbraw/zinc/05/38/34/823053834.db2.gz ONHNLBRJHFGGTQ-PBHICJAKSA-N 0 1 375.925 4.376 20 0 GIADMN CN(CCC1CCOCC1)Cc1ncc(-c2ccccc2Br)o1 ZINC000120759291 823058415 /nfs/dbraw/zinc/05/84/15/823058415.db2.gz VZTISWWEBYJJIM-UHFFFAOYSA-N 0 1 379.298 4.353 20 0 GIADMN CN(CCC1CCOCC1)CC(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000120748705 823056542 /nfs/dbraw/zinc/05/65/42/823056542.db2.gz MUAALYJJCZVICD-UHFFFAOYSA-N 0 1 379.715 4.334 20 0 GIADMN C[C@H](NC[C@H](O)c1ccc(Cl)c(F)c1)c1ncc(Br)cc1F ZINC000187407314 823057158 /nfs/dbraw/zinc/05/71/58/823057158.db2.gz QJAZYQJRLZPERZ-RTHLEPHNSA-N 0 1 391.643 4.160 20 0 GIADMN CNS(=O)(=O)c1ccc([C@H](C)N[C@H](c2ccc(F)cc2F)C(C)(C)C)cc1 ZINC000120804224 823067653 /nfs/dbraw/zinc/06/76/53/823067653.db2.gz XDDQONBNMQBDQH-ORAYPTAESA-N 0 1 396.503 4.311 20 0 GIADMN COCCCOc1ccc(C(=O)Nc2ccc3nc([C@H]4CCCO4)[nH]c3c2)cc1 ZINC000175887844 823064081 /nfs/dbraw/zinc/06/40/81/823064081.db2.gz KSUGFCXUGBSDDO-HXUWFJFHSA-N 0 1 395.459 4.082 20 0 GIADMN Cc1cc(C)c(C[N@@H+]2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)c(OCc2ccccc2)n1 ZINC000570638978 823065420 /nfs/dbraw/zinc/06/54/20/823065420.db2.gz OGAXTHMQIIPICR-BVSLBCMMSA-N 0 1 394.515 4.495 20 0 GIADMN C[C@@H](c1ccccn1)N(C)C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000187452388 823066102 /nfs/dbraw/zinc/06/61/02/823066102.db2.gz VTQPVUAKYAAIEI-KSSFIOAISA-N 0 1 394.441 4.106 20 0 GIADMN CC(C)N(C)c1cccc(NC(=O)NC2CCN([C@H](C)c3ccncc3)CC2)c1 ZINC000120799846 823066622 /nfs/dbraw/zinc/06/66/22/823066622.db2.gz JPYCXYYFKYHKRS-GOSISDBHSA-N 0 1 395.551 4.273 20 0 GIADMN O=C(Nc1ccc(NC(=O)c2c[nH]nc2-c2ccsc2)cc1)c1ccco1 ZINC000187461778 823067995 /nfs/dbraw/zinc/06/79/95/823067995.db2.gz CSFLUPPCLVASFU-UHFFFAOYSA-N 0 1 378.413 4.236 20 0 GIADMN Cc1ccccc1C(NC(=O)NCc1n[nH]c(C(C)C)n1)c1ccccc1C ZINC000458642283 823068491 /nfs/dbraw/zinc/06/84/91/823068491.db2.gz CYSYQGQHNOWSAX-UHFFFAOYSA-N 0 1 377.492 4.134 20 0 GIADMN Cc1ccc(CO)cc1NS(=O)(=O)c1cc(Cl)ccc1OCCC1CC1 ZINC000187468025 823069011 /nfs/dbraw/zinc/06/90/11/823069011.db2.gz JFQKRKUVIUZCOP-UHFFFAOYSA-N 0 1 395.908 4.120 20 0 GIADMN Cc1oc2ccccc2c1CNC(=O)N(C)C1CCN(CCC(F)(F)F)CC1 ZINC000458648308 823069653 /nfs/dbraw/zinc/06/96/53/823069653.db2.gz OUGUCTTXEMVDMJ-UHFFFAOYSA-N 0 1 397.441 4.299 20 0 GIADMN CN(C)[C@H](CNC(=O)NCCC1CC(F)(F)C1)c1cccc(C(F)(F)F)c1 ZINC000458653630 823070180 /nfs/dbraw/zinc/07/01/80/823070180.db2.gz RRKIGQGTPKKHJO-OAHLLOKOSA-N 0 1 393.400 4.043 20 0 GIADMN COc1cc([C@H](C)N[C@@H](c2ccc(F)cc2F)C(C)C)ccc1S(C)(=O)=O ZINC000120826536 823072254 /nfs/dbraw/zinc/07/22/54/823072254.db2.gz SZVHQPOAIFPXEV-RNODOKPDSA-N 0 1 397.487 4.425 20 0 GIADMN Cc1cc(CN2CCSCC2)ccc1NC(=O)c1ccc(Cl)nc1C ZINC000120839790 823074524 /nfs/dbraw/zinc/07/45/24/823074524.db2.gz NNVHOBIKSNKKMH-UHFFFAOYSA-N 0 1 375.925 4.153 20 0 GIADMN O=C(CCc1ccc(Cl)cc1Cl)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000120853687 823076976 /nfs/dbraw/zinc/07/69/76/823076976.db2.gz QVQTUSKZFLBPQR-CQSZACIVSA-N 0 1 393.318 4.328 20 0 GIADMN COc1ccc(-c2nc3c(s2)[C@H](NCc2ncccc2N(C)C)CCC3)cc1 ZINC000570733014 823077808 /nfs/dbraw/zinc/07/78/08/823077808.db2.gz ACKHGHBLJSGFAG-QGZVFWFLSA-N 0 1 394.544 4.447 20 0 GIADMN Cc1c2cc(Cl)ccc2sc1CNC(=O)NCc1n[nH]c(C(C)C)n1 ZINC000458726936 823078824 /nfs/dbraw/zinc/07/88/24/823078824.db2.gz HXLQWICBJZPFBT-UHFFFAOYSA-N 0 1 377.901 4.104 20 0 GIADMN CCCC(=O)Nc1cccc(NC(=O)c2[nH]c(-c3cccc(OC)c3)nc2C)c1 ZINC000120869460 823079882 /nfs/dbraw/zinc/07/98/82/823079882.db2.gz AFYSYVOSLVWRSE-UHFFFAOYSA-N 0 1 392.459 4.385 20 0 GIADMN OC[C@]1(Cc2ccc(F)cc2)CCN(Cc2coc(-c3ccc(F)cc3)n2)C1 ZINC000570758053 823081825 /nfs/dbraw/zinc/08/18/25/823081825.db2.gz NZTPCXDXNKQXRV-QFIPXVFZSA-N 0 1 384.426 4.047 20 0 GIADMN CC[C@H](c1noc(CCCCc2cn[nH]n2)n1)c1ccc(Br)cc1 ZINC000570759238 823082328 /nfs/dbraw/zinc/08/23/28/823082328.db2.gz BCLAXYHOTLFIND-HNNXBMFYSA-N 0 1 390.285 4.058 20 0 GIADMN Cc1cccnc1[C@@H](NCC(=O)Nc1ccnn1CC1CCCCC1)C(C)C ZINC000120888451 823082572 /nfs/dbraw/zinc/08/25/72/823082572.db2.gz CMMVCDJIJFTLPQ-NRFANRHFSA-N 0 1 383.540 4.092 20 0 GIADMN Cc1cc(S(=O)(=O)Nc2ccccc2NC(=O)NC(C)C)c(Cl)cc1F ZINC000120894787 823083420 /nfs/dbraw/zinc/08/34/20/823083420.db2.gz KIOMPXBDSKXIBP-UHFFFAOYSA-N 0 1 399.875 4.118 20 0 GIADMN CC(C)(C)C(C)(C)CNC(=O)N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000458787791 823085579 /nfs/dbraw/zinc/08/55/79/823085579.db2.gz DLMGOPVDYZAXGU-CQSZACIVSA-N 0 1 397.445 4.284 20 0 GIADMN COc1ccc(NC(=O)c2nnc(CN[C@@H]3CCC(C)(C)C[C@@H]3C)s2)cc1 ZINC000120915207 823086241 /nfs/dbraw/zinc/08/62/41/823086241.db2.gz UBNHCPQFUWGSQE-XJKSGUPXSA-N 0 1 388.537 4.103 20 0 GIADMN O=C([C@@H]1CCCCN1Cc1ccccc1)N1CCC([C@H](O)c2ccccc2)CC1 ZINC000120923649 823087441 /nfs/dbraw/zinc/08/74/41/823087441.db2.gz DEUMWCKRWRDMPO-BJKOFHAPSA-N 0 1 392.543 4.013 20 0 GIADMN COc1cc(C)c([C@@H](C)N[C@H](C)C(=O)Nc2ccc(F)cc2Cl)cc1OC ZINC000056154174 823090860 /nfs/dbraw/zinc/09/08/60/823090860.db2.gz BNLFOHYHHRLIPD-CHWSQXEVSA-N 0 1 394.874 4.483 20 0 GIADMN O=C(c1ccc(Oc2ccccc2)o1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000120968208 823094728 /nfs/dbraw/zinc/09/47/28/823094728.db2.gz SRFIHKWDYHIYNM-OAHLLOKOSA-N 0 1 378.432 4.087 20 0 GIADMN O=C(Nc1nc(Sc2ccccc2)ns1)c1occc1Br ZINC000176025669 823098867 /nfs/dbraw/zinc/09/88/67/823098867.db2.gz DGRDCWIMSYQYCD-UHFFFAOYSA-N 0 1 382.264 4.297 20 0 GIADMN Cc1ccc2nc([C@@H]3CCCN(c4nnc(C5CCOCC5)s4)C3)[nH]c2c1 ZINC000570867963 823098937 /nfs/dbraw/zinc/09/89/37/823098937.db2.gz PYGYQYCXTQJNDV-OAHLLOKOSA-N 0 1 383.521 4.001 20 0 GIADMN CCc1ccc([C@H](NC(=O)CN2CCC[C@H]2[C@@H]2CCCO2)c2cccs2)cc1 ZINC000570871904 823099593 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CCC1CN(Cc2ccc(OCC(=O)Nc3ccccc3Cl)c(OC)c2)C1 ZINC000453611082 822392848 /nfs/dbraw/zinc/39/28/48/822392848.db2.gz YWCYJIQURVGTCF-UHFFFAOYSA-N 0 1 388.895 4.208 20 0 GIADMN C[C@H](NC(=O)NC[C@@H](c1ccsc1)N(C)C)c1cccc(C(F)(F)F)c1 ZINC000045541206 822394717 /nfs/dbraw/zinc/39/47/17/822394717.db2.gz SHUALGOUSFKFDW-LRDDRELGSA-N 0 1 385.455 4.430 20 0 GIADMN C[C@@H](NC(=O)NC[C@H](c1ccsc1)N(C)C)c1cccc(C(F)(F)F)c1 ZINC000045541209 822394750 /nfs/dbraw/zinc/39/47/50/822394750.db2.gz SHUALGOUSFKFDW-MLGOLLRUSA-N 0 1 385.455 4.430 20 0 GIADMN CC(C)(C)c1noc(CCCC(=O)Nc2nc3ccc(C(F)(F)F)cc3[nH]2)n1 ZINC000178629051 822397569 /nfs/dbraw/zinc/39/75/69/822397569.db2.gz XXLAROFOYJKMDH-UHFFFAOYSA-N 0 1 395.385 4.224 20 0 GIADMN O=C(CCSCc1ccccn1)Nc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000178635912 822398254 /nfs/dbraw/zinc/39/82/54/822398254.db2.gz VKMREMGJQWJHIX-UHFFFAOYSA-N 0 1 380.395 4.239 20 0 GIADMN C[C@H](c1ccncc1)N1CCC(NC(=O)Nc2nc3c(s2)CCCCC3)CC1 ZINC000178646746 822399136 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ZINC000180356679 822669501 /nfs/dbraw/zinc/66/95/01/822669501.db2.gz AICWSTXPOGOHQI-CQSZACIVSA-N 0 1 398.459 4.138 20 0 GIADMN CCOc1cccc2cc([C@H](C)NCC(=O)Nc3cccc(NC(C)=O)c3)oc21 ZINC000180357174 822669723 /nfs/dbraw/zinc/66/97/23/822669723.db2.gz FUHHMMBXOFZJFU-AWEZNQCLSA-N 0 1 395.459 4.079 20 0 GIADMN COc1cccc(-c2nc(C)c(C(=O)OCc3nc(C(F)(F)F)cs3)[nH]2)c1 ZINC000180380730 822673113 /nfs/dbraw/zinc/67/31/13/822673113.db2.gz DSMUUVDAEMQBSU-UHFFFAOYSA-N 0 1 397.378 4.226 20 0 GIADMN O=C(Nc1ncc(Cc2ccc(F)c(F)c2)s1)c1ccc(-c2nnc[nH]2)cc1 ZINC000184678757 822675039 /nfs/dbraw/zinc/67/50/39/822675039.db2.gz IJGTTYZUFHAWPM-UHFFFAOYSA-N 0 1 397.410 4.050 20 0 GIADMN COc1ccc([C@@H](CNC(=O)Nc2cc(F)cc(F)c2F)N2CCCC2)cc1 ZINC000455565916 822675512 /nfs/dbraw/zinc/67/55/12/822675512.db2.gz AQUJWESPRJDHKZ-GOSISDBHSA-N 0 1 393.409 4.071 20 0 GIADMN Cc1nn(-c2ccc(F)cc2F)c(C)c1CNCc1cnn(-c2ccccc2)c1 ZINC000048710763 822679151 /nfs/dbraw/zinc/67/91/51/822679151.db2.gz IYNZFOXQYXGBEN-UHFFFAOYSA-N 0 1 393.441 4.243 20 0 GIADMN COc1ccc(CN[C@@H](C)c2ccc(OCc3ccncc3)c(OC)c2)cc1O ZINC000048746786 822680914 /nfs/dbraw/zinc/68/09/14/822680914.db2.gz HIUDDCSGRFEBQC-INIZCTEOSA-N 0 1 394.471 4.234 20 0 GIADMN CC(=O)Nc1cccc(OCCN[C@@H](C)c2nc(-c3ccccc3)cs2)c1 ZINC000180448955 822684123 /nfs/dbraw/zinc/68/41/23/822684123.db2.gz YFWWFJJGIWYTFH-HNNXBMFYSA-N 0 1 381.501 4.498 20 0 GIADMN COCCc1nc(C)c([C@@H](C)NCc2sccc2Br)s1 ZINC000180481073 822688996 /nfs/dbraw/zinc/68/89/96/822688996.db2.gz PWKUPQOBMSHCEL-SECBINFHSA-N 0 1 375.357 4.315 20 0 GIADMN CN(C)[C@H](CNC(=O)c1ccc2cc[nH]c2c1)c1cccc(C(F)(F)F)c1 ZINC000184831403 822696953 /nfs/dbraw/zinc/69/69/53/822696953.db2.gz TZWTXTSHSJCWHN-GOSISDBHSA-N 0 1 375.394 4.219 20 0 GIADMN Cc1nc(CCCC(=O)NC[C@H](c2cccc(C(F)(F)F)c2)N(C)C)cs1 ZINC000184836255 822697612 /nfs/dbraw/zinc/69/76/12/822697612.db2.gz HBOXBYRSTHVJNW-QGZVFWFLSA-N 0 1 399.482 4.212 20 0 GIADMN C[C@H]([NH2+]C[C@H](c1ccco1)N1CCCC1)c1cc(Br)ccc1[O-] ZINC000184844893 822699363 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C[C@H]([NH2+]Cc1ccc(Cn2cccn2)cc1)c1ccc(Br)cc1[O-] ZINC000184920345 822713347 /nfs/dbraw/zinc/71/33/47/822713347.db2.gz YVEUQMKTTMWJRW-AWEZNQCLSA-N 0 1 386.293 4.250 20 0 GIADMN CC(C)[C@@H]1CN(C)CCN1C(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1 ZINC000180621033 822714343 /nfs/dbraw/zinc/71/43/43/822714343.db2.gz NKSPLNHTVYWJAR-FQEVSTJZSA-N 0 1 395.507 4.135 20 0 GIADMN CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000180622554 822714561 /nfs/dbraw/zinc/71/45/61/822714561.db2.gz VAZHJWFNWIVEJU-MRXNPFEDSA-N 0 1 392.421 4.005 20 0 GIADMN CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000180622554 822714563 /nfs/dbraw/zinc/71/45/63/822714563.db2.gz VAZHJWFNWIVEJU-MRXNPFEDSA-N 0 1 392.421 4.005 20 0 GIADMN O=C(NCc1ccnc(Oc2ccccc2)c1)[C@H]1CCCN1Cc1ccccc1 ZINC000050032149 822715293 /nfs/dbraw/zinc/71/52/93/822715293.db2.gz BSCRNKBBHKPGAM-JOCHJYFZSA-N 0 1 387.483 4.155 20 0 GIADMN C[C@H](Cc1ccsc1)NC(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000050157552 822720633 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COc1cc(OC)c(C[NH2+][C@H](C)c2ccc(Br)cc2[O-])c(OC)c1 ZINC000185066251 822731709 /nfs/dbraw/zinc/73/17/09/822731709.db2.gz DTPCSFGCCSUKDI-LLVKDONJSA-N 0 1 396.281 4.031 20 0 GIADMN O=C(Cc1[nH]nc2ccccc21)N[C@H](COc1ccccc1F)c1ccccc1 ZINC000050583619 822733944 /nfs/dbraw/zinc/73/39/44/822733944.db2.gz HZQNYRFNPHBDNV-OAQYLSRUSA-N 0 1 389.430 4.181 20 0 GIADMN COc1cc([C@H](C)NC(=O)Cc2[nH]nc3ccccc32)ccc1OC1CCCC1 ZINC000050582065 822733954 /nfs/dbraw/zinc/73/39/54/822733954.db2.gz SMDLKURLNFWHJU-HNNXBMFYSA-N 0 1 393.487 4.313 20 0 GIADMN O=C(Cc1n[nH]c2ccccc12)Nc1ccc(OCc2ccccc2F)cc1 ZINC000050631414 822735336 /nfs/dbraw/zinc/73/53/36/822735336.db2.gz JKYHEBPEYJSHOJ-UHFFFAOYSA-N 0 1 375.403 4.462 20 0 GIADMN O=C(Nc1cccc(CSc2ccccn2)c1)c1ccc(-c2nnc[nH]2)cc1 ZINC000185106093 822737862 /nfs/dbraw/zinc/73/78/62/822737862.db2.gz DSNYOSTXKZCYIN-UHFFFAOYSA-N 0 1 387.468 4.411 20 0 GIADMN COc1cccc([C@H](CNC(=O)Nc2scnc2C(C)C)N2CCCC2)c1 ZINC000455888545 822742956 /nfs/dbraw/zinc/74/29/56/822742956.db2.gz GLHABWKYEGOIIE-KRWDZBQOSA-N 0 1 388.537 4.234 20 0 GIADMN CCC[C@H](C)NC(=O)[C@H]1CCCN([C@@H](C)C(=O)Nc2ccccc2C(C)C)C1 ZINC000051053603 822745134 /nfs/dbraw/zinc/74/51/34/822745134.db2.gz NGXNTBBJDBYZFG-FHWLQOOXSA-N 0 1 387.568 4.154 20 0 GIADMN CCCCNC(=O)[C@@H]1CCCN(Cc2csc(-c3ccc(F)cc3)n2)C1 ZINC000051062033 822745611 /nfs/dbraw/zinc/74/56/11/822745611.db2.gz XHRZOMLFAYPJIE-MRXNPFEDSA-N 0 1 375.513 4.078 20 0 GIADMN O=S(=O)(Nc1ccc(OCC(F)(F)F)cc1)c1c[nH]c2cccc(F)c21 ZINC000185181193 822746325 /nfs/dbraw/zinc/74/63/25/822746325.db2.gz MXRNHHSDZURFGS-UHFFFAOYSA-N 0 1 388.342 4.049 20 0 GIADMN CN(CC(=O)NC1(c2ccccc2)CCC1)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051132170 822746984 /nfs/dbraw/zinc/74/69/84/822746984.db2.gz FBYLMADXFNMXOA-XUZZJYLKSA-N 0 1 392.543 4.282 20 0 GIADMN COc1ccc(-c2noc(CN(C)C[C@H]3CCCO[C@@H]3c3ccccc3)n2)cc1 ZINC000051133197 822747440 /nfs/dbraw/zinc/74/74/40/822747440.db2.gz IDTWJFRTRQNNNW-DENIHFKCSA-N 0 1 393.487 4.345 20 0 GIADMN CN(CC(=O)NCc1cccc(Cl)c1)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000051133218 822747454 /nfs/dbraw/zinc/74/74/54/822747454.db2.gz XYXJRFZDCYMXJW-DENIHFKCSA-N 0 1 386.923 4.056 20 0 GIADMN COc1cccc(OCC(=O)C(C#N)c2nc(-c3ccc(C)cc3)cs2)c1 ZINC000051154824 822748587 /nfs/dbraw/zinc/74/85/87/822748587.db2.gz AJXKUMARUANAAF-GOSISDBHSA-N 0 1 378.453 4.382 20 0 GIADMN Cc1cc2ncn(C[C@@H](O)CN(C)[C@@H](C)c3nc4ccccc4s3)c2cc1C ZINC000051286580 822754509 /nfs/dbraw/zinc/75/45/09/822754509.db2.gz GEMTXHINKGSQPC-IRXDYDNUSA-N 0 1 394.544 4.317 20 0 GIADMN O=C(c1ccccc1)C1CCN(C[C@@H](O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000051287912 822754512 /nfs/dbraw/zinc/75/45/12/822754512.db2.gz QKQMPNITIRQLSS-LJQANCHMSA-N 0 1 377.406 4.334 20 0 GIADMN CCOc1cc(CN(C)C[C@H](O)c2c(F)cccc2F)ccc1OC(F)F ZINC000051323854 822756020 /nfs/dbraw/zinc/75/60/20/822756020.db2.gz ODEMBHDBZXMRKC-HNNXBMFYSA-N 0 1 387.373 4.130 20 0 GIADMN Fc1ccccc1[C@@H](NCc1cnc(N2CCOCC2)c(F)c1)C1CCCC1 ZINC000185266781 822756938 /nfs/dbraw/zinc/75/69/38/822756938.db2.gz KGZXQMZYNIBGHY-NRFANRHFSA-N 0 1 387.474 4.218 20 0 GIADMN Cc1cc2cc([C@@H](C)NCc3cccc(N4CCCS4(=O)=O)c3)oc2cc1C ZINC000185289757 822760148 /nfs/dbraw/zinc/76/01/48/822760148.db2.gz ZAVULCLGVJNFQY-QGZVFWFLSA-N 0 1 398.528 4.440 20 0 GIADMN CC[C@H](C#N)Oc1cc(CNCc2ccc([N+](=O)[O-])c(Cl)c2)ccc1OC ZINC000185289579 822760186 /nfs/dbraw/zinc/76/01/86/822760186.db2.gz XMLUOMUFTFBLNT-OAHLLOKOSA-N 0 1 389.839 4.228 20 0 GIADMN CCOCCOc1cc(C)ccc1CNCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000185305380 822762664 /nfs/dbraw/zinc/76/26/64/822762664.db2.gz ZQWVRKQQFSILSM-UHFFFAOYSA-N 0 1 378.856 4.262 20 0 GIADMN COc1cccc([C@H](CNC(=O)Nc2cccc(CC(F)(F)F)c2)N(C)C)c1 ZINC000174305823 822768134 /nfs/dbraw/zinc/76/81/34/822768134.db2.gz LXJZCYYHZGAUMR-SFHVURJKSA-N 0 1 395.425 4.224 20 0 GIADMN CC(=O)Nc1ccc(CC[NH2+][C@@H](C)c2ccc(Br)cc2[O-])cc1 ZINC000185338352 822768176 /nfs/dbraw/zinc/76/81/76/822768176.db2.gz AXTFFKLISSJLNE-LBPRGKRZSA-N 0 1 377.282 4.006 20 0 GIADMN 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20 0 GIADMN Cc1ccc(-c2n[nH]c(SCC(=O)N3CCc4ccccc4[C@H]3C)n2)cc1 ZINC000178128223 822327004 /nfs/dbraw/zinc/32/70/04/822327004.db2.gz DUFYCFWDSNJDSV-OAHLLOKOSA-N 0 1 378.501 4.018 20 0 GIADMN COc1cc(OC)c(NC(=O)CN[C@@H](C)c2cc3ccccc3o2)cc1Cl ZINC000182633413 822332220 /nfs/dbraw/zinc/33/22/20/822332220.db2.gz AYYIKPMROMDCRL-LBPRGKRZSA-N 0 1 388.851 4.393 20 0 GIADMN C[C@@H](NCC(=O)Nc1ccc(F)c(F)c1F)c1ccc(Br)s1 ZINC000178201298 822350839 /nfs/dbraw/zinc/35/08/39/822350839.db2.gz ATVMKJFJIJLXMY-SSDOTTSWSA-N 0 1 393.228 4.217 20 0 GIADMN COc1cc([C@@H](C)N[C@@H](C)c2cn(C)nc2C)ccc1OCc1ccncc1 ZINC000178214163 822354380 /nfs/dbraw/zinc/35/43/80/822354380.db2.gz BDZIFKBXPUUVPW-CVEARBPZSA-N 0 1 380.492 4.123 20 0 GIADMN Cc1nnc(-c2ccccc2C(=O)Nc2ccc3nc(-c4ccccn4)[nH]c3c2)o1 ZINC000178221368 822355368 /nfs/dbraw/zinc/35/53/68/822355368.db2.gz HULDUIZKQFPCJP-UHFFFAOYSA-N 0 1 396.410 4.236 20 0 GIADMN COc1ccc(-c2n[nH]c(SCCCc3ccccc3OC)n2)c(OC)c1 ZINC000182714306 822357134 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Cc1cc([C@H](C)NCC(=O)Nc2c(C)nn(-c3ccccc3)c2C)c(C)s1 ZINC000182762207 822363867 /nfs/dbraw/zinc/36/38/67/822363867.db2.gz DHXNPAQALIPUDU-AWEZNQCLSA-N 0 1 382.533 4.457 20 0 GIADMN CCN(c1ccc(N[C@H](C)c2ccc(S(=O)(=O)NC)cc2)cc1)C(C)C ZINC000182773330 822365441 /nfs/dbraw/zinc/36/54/41/822365441.db2.gz HDFWTCAXAQWJTC-MRXNPFEDSA-N 0 1 375.538 4.003 20 0 GIADMN CCCCNC(=O)c1ccc(CNCc2ccc(Br)c(F)c2)cc1 ZINC000178309956 822366035 /nfs/dbraw/zinc/36/60/35/822366035.db2.gz QPMOPRULUSANBS-UHFFFAOYSA-N 0 1 393.300 4.408 20 0 GIADMN Cc1ncccc1NC(=O)[C@H](C)N[C@@H](C)c1ccc(SCC(F)F)cc1 ZINC000453452946 822366246 /nfs/dbraw/zinc/36/62/46/822366246.db2.gz SONPUXCXVPJZNZ-JSGCOSHPSA-N 0 1 379.476 4.425 20 0 GIADMN COc1cc(OC)c(OC)cc1CN[C@@H](C)c1sc(-c2cccnc2)nc1C ZINC000178316866 822366740 /nfs/dbraw/zinc/36/67/40/822366740.db2.gz RVYNKKHIEGORDD-ZDUSSCGKSA-N 0 1 399.516 4.390 20 0 GIADMN Cc1nc(-c2ccccc2)sc1[C@@H](C)N[C@@H](C)C(=O)Nc1cccnc1C ZINC000453457490 822367556 /nfs/dbraw/zinc/36/75/56/822367556.db2.gz 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C[C@H](c1cccc(F)c1)N1CCC(C(=O)c2ccc3c(c2)NC(=O)[C@H](C)O3)CC1 ZINC000171065469 824053819 /nfs/dbraw/zinc/05/38/19/824053819.db2.gz NLMRAXVINIHTEV-CABCVRRESA-N 0 1 396.462 4.201 20 0 GIADMN COc1ccc([C@H](O)[C@@H]2CCCN2Cc2nnc(-c3ccccc3Cl)o2)cc1 ZINC000359978593 212128410 /nfs/dbraw/zinc/12/84/10/212128410.db2.gz OKXZBWPTVSDXCS-ICSRJNTNSA-N 0 1 399.878 4.097 20 0 GIADMN CCc1c(NC(=O)CCc2nc3ccccc3s2)[nH]nc1-c1ccncc1 ZINC000359955440 212125462 /nfs/dbraw/zinc/12/54/62/212125462.db2.gz IHKQBFBULZILTD-UHFFFAOYSA-N 0 1 377.473 4.215 20 0 GIADMN CC(C)n1ccnc1CN1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 ZINC000328604085 212084802 /nfs/dbraw/zinc/08/48/02/212084802.db2.gz ILUHAZWVWNRUJF-XMSQKQJNSA-N 0 1 377.492 4.068 20 0 GIADMN CCOc1ccc2nc(NC(=O)c3cn[nH]c3-c3ccc(OC)cc3)sc2c1 ZINC000010894534 221107929 /nfs/dbraw/zinc/10/79/29/221107929.db2.gz GAXWMTMHLHZATM-UHFFFAOYSA-N 0 1 394.456 4.346 20 0 GIADMN Cc1ccc(NC(=O)[C@H](C)Sc2nnc(C(C)(C)C)[nH]2)c(Br)c1 ZINC000012259772 221172780 /nfs/dbraw/zinc/17/27/80/221172780.db2.gz CAAAFJQPKIYFPK-JTQLQIEISA-N 0 1 397.342 4.292 20 0 GIADMN CN1CCN(c2ccc(Cl)cc2NC(=O)Cc2ccc3ccccc3c2)CC1 ZINC000016002757 221354535 /nfs/dbraw/zinc/35/45/35/221354535.db2.gz MQQIHSOBAHKKTD-UHFFFAOYSA-N 0 1 393.918 4.426 20 0 GIADMN COc1ccc(C(=O)Nc2ccc3nc(-c4cc(F)ccc4F)[nH]c3c2)cn1 ZINC000071998835 222202993 /nfs/dbraw/zinc/20/29/93/222202993.db2.gz CPCLGBCAZZIJFP-UHFFFAOYSA-N 0 1 380.354 4.164 20 0 GIADMN CCC[N@@H+](Cc1ccc(C(=O)[O-])cc1)Cc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000263507087 599986506 /nfs/dbraw/zinc/98/65/06/599986506.db2.gz XKASPGVAMLKSLC-UHFFFAOYSA-N 0 1 385.851 4.099 20 0 GIADMN CCC[N@H+](Cc1ccc(C(=O)[O-])cc1)Cc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000263507087 599986508 /nfs/dbraw/zinc/98/65/08/599986508.db2.gz XKASPGVAMLKSLC-UHFFFAOYSA-N 0 1 385.851 4.099 20 0 GIADMN