smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCN(CCc1ccccc1)c1nnc(C(=O)N2CCCC2)n1CCSC(F)(F)F ZINC001359274579 1069311463 /nfs/dbraw/zinc/31/14/63/1069311463.db2.gz SJVOUBVACUOGNM-UHFFFAOYSA-N 0 0 453.534 4.002 20 30 JIEDRN C#CCN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1coc(-c2cccs2)n1 ZINC001300642789 1069311684 /nfs/dbraw/zinc/31/16/84/1069311684.db2.gz UMBHOCWLHDTISY-CALCHBBNSA-N 0 0 482.610 4.273 20 30 JIEDRN C=CCN(CCc1ccccc1)c1nnc(-c2ccc(Cl)nc2)n1CC1CCS(=O)(=O)CC1 ZINC001359275182 1069311843 /nfs/dbraw/zinc/31/18/43/1069311843.db2.gz MKALIJSRIMINMC-UHFFFAOYSA-N 0 0 486.041 4.053 20 30 JIEDRN C#CCN(Cc1ccc(F)cc1)c1nnc([C@]2(OCC)CCOC2)n1CCCC(F)(F)F ZINC001300643084 1069312194 /nfs/dbraw/zinc/31/21/94/1069312194.db2.gz OHFLBQLRUQKMEC-NRFANRHFSA-N 0 0 454.468 4.052 20 30 JIEDRN C#CCN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cccnc1OCC(F)(F)F ZINC001300643431 1069313452 /nfs/dbraw/zinc/31/34/52/1069313452.db2.gz JBMFGYZAVQBGJN-QZTJIDSGSA-N 0 0 465.520 4.041 20 30 JIEDRN C=CCN(CCc1ccco1)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCCSC1 ZINC001359276558 1069314079 /nfs/dbraw/zinc/31/40/79/1069314079.db2.gz HSYHBJXGAHHBAX-IBGZPJMESA-N 0 0 486.663 4.320 20 30 JIEDRN C=CCN(CCc1ccco1)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H]1CCCS(=O)(=O)C1 ZINC001359276991 1069315030 /nfs/dbraw/zinc/31/50/30/1069315030.db2.gz YUPLOWRYVWGOSZ-KRWDZBQOSA-N 0 0 493.004 4.391 20 30 JIEDRN C=CCN(CCc1ccco1)c1nnc([C@H]2CCCCO2)n1CC(=O)N(C)C1CCCCC1 ZINC001359277307 1069315458 /nfs/dbraw/zinc/31/54/58/1069315458.db2.gz ILZIVPPIVCKHRC-JOCHJYFZSA-N 0 0 455.603 4.139 20 30 JIEDRN C#CCN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCc1cnn(-c2ccccc2)c1 ZINC001300644502 1069316699 /nfs/dbraw/zinc/31/66/99/1069316699.db2.gz YKONBCOOISYWBG-QHCPKHFHSA-N 0 0 489.624 4.238 20 30 JIEDRN C=CCN(CCc1ccco1)c1nnc([C@H]2CCCO2)n1Cc1ccc(NC(=O)N(C)C)cc1 ZINC001359278114 1069317232 /nfs/dbraw/zinc/31/72/32/1069317232.db2.gz IUXKCAZJXNDCBK-JOCHJYFZSA-N 0 0 464.570 4.100 20 30 JIEDRN C=CCN(CCOC)c1nnc(-c2ccc(Br)cc2)n1C[C@](C)(O)c1cc(C)oc1C ZINC001359278667 1069317939 /nfs/dbraw/zinc/31/79/39/1069317939.db2.gz CAQDZFIZEHNBPO-QHCPKHFHSA-N 0 0 489.414 4.464 20 30 JIEDRN C=CCN(CCOC)c1nnc(-c2cc(F)ccc2Br)n1C[C@]1(O)CCC[C@@H]1C ZINC001359279069 1069318964 /nfs/dbraw/zinc/31/89/64/1069318964.db2.gz RCDYPIUKSNCKCE-YCRPNKLZSA-N 0 0 467.383 4.037 20 30 JIEDRN C=CCN(CCOC)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@H]1CCOC[C@H]1C ZINC001359279767 1069320564 /nfs/dbraw/zinc/32/05/64/1069320564.db2.gz RPBABGMDFMMEMD-SJLPKXTDSA-N 0 0 479.419 4.028 20 30 JIEDRN C=CCN(CCOC)c1nnc(-c2cn(C)c3ccccc23)n1CCc1nc(C)c(C)s1 ZINC001359280572 1069321123 /nfs/dbraw/zinc/32/11/23/1069321123.db2.gz WFHQXVLOYSUHEP-UHFFFAOYSA-N 0 0 450.612 4.392 20 30 JIEDRN C=CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1CCN1c2ccccc2C[C@H]1C ZINC001359279983 1069321345 /nfs/dbraw/zinc/32/13/45/1069321345.db2.gz ZYGJOAWSJFANOI-GOSISDBHSA-N 0 0 452.990 4.084 20 30 JIEDRN C=CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1ccc(F)c(C)c1 ZINC001359282437 1069322852 /nfs/dbraw/zinc/32/28/52/1069322852.db2.gz ANYBALKTNOIWQI-NRFANRHFSA-N 0 0 473.593 4.485 20 30 JIEDRN C#CCN(Cc1ccc(F)cc1)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(C)(C)SC ZINC001300647233 1069323186 /nfs/dbraw/zinc/32/31/86/1069323186.db2.gz CPHUOTBAUXXBCT-UHFFFAOYSA-N 0 0 493.656 4.373 20 30 JIEDRN C=CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(Cc2csc(C(C)(C)C)n2)CC1 ZINC001359283041 1069323705 /nfs/dbraw/zinc/32/37/05/1069323705.db2.gz JCHPFFMPFKHQMK-UHFFFAOYSA-N 0 0 493.681 4.409 20 30 JIEDRN C#CCN(Cc1ccc(F)cc1)c1nnc(C2CCC2)n1CCNc1nccc(C(F)(F)F)n1 ZINC001300647631 1069324025 /nfs/dbraw/zinc/32/40/25/1069324025.db2.gz HGPKVAWOZSCCCK-UHFFFAOYSA-N 0 0 473.478 4.245 20 30 JIEDRN C=CCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCO[C@H](c2nnc(C)o2)C1 ZINC001359283398 1069325108 /nfs/dbraw/zinc/32/51/08/1069325108.db2.gz NAXQBZKUAHSJKR-QAPCUYQASA-N 0 0 458.950 4.144 20 30 JIEDRN C=CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN(CC(F)(F)C(F)F)CC1 ZINC001359283764 1069325966 /nfs/dbraw/zinc/32/59/66/1069325966.db2.gz RVFPAESLEMZMAZ-KRWDZBQOSA-N 0 0 455.500 4.243 20 30 JIEDRN C=CCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 ZINC001359283763 1069326061 /nfs/dbraw/zinc/32/60/61/1069326061.db2.gz RQIMAULXQSMEAS-UHFFFAOYSA-N 0 0 490.555 4.458 20 30 JIEDRN C=CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(Cc2csc(C)n2)CC1 ZINC001359283865 1069326115 /nfs/dbraw/zinc/32/61/15/1069326115.db2.gz ZNTSAYCUXOFYRO-MRXNPFEDSA-N 0 0 459.019 4.345 20 30 JIEDRN C=CCn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@H](c2ccc(CC)cc2)C1 ZINC001359283937 1069326854 /nfs/dbraw/zinc/32/68/54/1069326854.db2.gz FHEOZZFNIIFZPK-FQEVSTJZSA-N 0 0 456.388 4.372 20 30 JIEDRN C=CCn1c(-c2sc3ccccc3c2Cl)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001359284029 1069326936 /nfs/dbraw/zinc/32/69/36/1069326936.db2.gz LIYRWSSJGRRQHY-AWEZNQCLSA-N 0 0 451.017 4.403 20 30 JIEDRN C=CCn1c(-c2cc(F)ccc2Br)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 ZINC001359284208 1069327298 /nfs/dbraw/zinc/32/72/98/1069327298.db2.gz YUBPDORHRDOBTH-INIZCTEOSA-N 0 0 460.355 4.083 20 30 JIEDRN C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccncc2)n1C[C@](C)(O)c1cccs1 ZINC001300648920 1069327529 /nfs/dbraw/zinc/32/75/29/1069327529.db2.gz HQSWUSMRWZKSCS-VWLOTQADSA-N 0 0 461.566 4.012 20 30 JIEDRN C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CC1(C)C ZINC001300649800 1069330070 /nfs/dbraw/zinc/33/00/70/1069330070.db2.gz OVJGILHZJCLDGG-IRLDBZIGSA-N 0 0 497.615 4.412 20 30 JIEDRN C=CCn1c(-c2ccccc2Br)nnc1N1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC001359286140 1069331873 /nfs/dbraw/zinc/33/18/73/1069331873.db2.gz YRGMEQOUSAQAHA-UHFFFAOYSA-N 0 0 482.430 4.442 20 30 JIEDRN C=CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(CCOC)CCc1ccccc1 ZINC001359286963 1069332041 /nfs/dbraw/zinc/33/20/41/1069332041.db2.gz DCMRXIKIVCSJQS-QFIPXVFZSA-N 0 0 469.630 4.274 20 30 JIEDRN C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(CC)C[C@@H](O)c1ccc(C)cc1 ZINC001359287163 1069333538 /nfs/dbraw/zinc/33/35/38/1069333538.db2.gz QAHUKACTPKAYLB-JOCHJYFZSA-N 0 0 469.630 4.447 20 30 JIEDRN C=CCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001359289008 1069336165 /nfs/dbraw/zinc/33/61/65/1069336165.db2.gz UJWFMTCINDHOCM-UHFFFAOYSA-N 0 0 476.021 4.495 20 30 JIEDRN C=CCn1c(COc2cc(C)ccc2C)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC001359289551 1069337227 /nfs/dbraw/zinc/33/72/27/1069337227.db2.gz PPBMPTMAIFWJMA-UHFFFAOYSA-N 0 0 455.603 4.401 20 30 JIEDRN C=CCn1c(COc2ccc(OC)cc2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](CC)C1 ZINC001359289886 1069338086 /nfs/dbraw/zinc/33/80/86/1069338086.db2.gz RZSDRIYXXMMURO-WIYYLYMNSA-N 0 0 471.602 4.181 20 30 JIEDRN C=CCn1c(COc2ccc(OC)cc2)nnc1N1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC001359289936 1069338350 /nfs/dbraw/zinc/33/83/50/1069338350.db2.gz WBXTUXKWEYXDAJ-UHFFFAOYSA-N 0 0 462.476 4.109 20 30 JIEDRN C=CCNC(=O)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CCC(C)=C(C)C1 ZINC001359294691 1069341230 /nfs/dbraw/zinc/34/12/30/1069341230.db2.gz BIIVAFXQSBYVBW-UHFFFAOYSA-N 0 0 464.795 4.210 20 30 JIEDRN C=CCNC(=O)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC[C@H](OC(C)(C)C)C1 ZINC001359295022 1069341847 /nfs/dbraw/zinc/34/18/47/1069341847.db2.gz MPVRUGVEWNIJGA-SFHVURJKSA-N 0 0 490.446 4.102 20 30 JIEDRN C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N(Cc1ccco1)Cc1ccc(C)s1 ZINC001359295278 1069342022 /nfs/dbraw/zinc/34/20/22/1069342022.db2.gz WOLWTBOYARMSME-UHFFFAOYSA-N 0 0 451.552 4.318 20 30 JIEDRN C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)[C@@H]1C[C@H](OCC)C1(C)C ZINC001359295443 1069342677 /nfs/dbraw/zinc/34/26/77/1069342677.db2.gz BDNBUHCMTHZAEJ-MSOLQXFVSA-N 0 0 466.413 4.194 20 30 JIEDRN C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC(c2ccsc2)CC1 ZINC001359296158 1069343298 /nfs/dbraw/zinc/34/32/98/1069343298.db2.gz YVNYARUJUDIGCM-UHFFFAOYSA-N 0 0 472.014 4.355 20 30 JIEDRN C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)[C@@H](C)c1sc(CC)nc1C ZINC001359299229 1069344331 /nfs/dbraw/zinc/34/43/31/1069344331.db2.gz ZBDHKNRFILZWKM-KRWDZBQOSA-N 0 0 491.621 4.427 20 30 JIEDRN C=CCNC(=O)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1C[C@H](C)CC[C@@H]1C ZINC001359303004 1069344594 /nfs/dbraw/zinc/34/45/94/1069344594.db2.gz AVPDBRWDLYYCBQ-MJGOQNOKSA-N 0 0 460.022 4.179 20 30 JIEDRN C=CCNC(=O)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC(OC(C)(C)C)CC1 ZINC001359303936 1069344710 /nfs/dbraw/zinc/34/47/10/1069344710.db2.gz GBKHFIBLYABMKT-UHFFFAOYSA-N 0 0 483.657 4.241 20 30 JIEDRN C#CCN(CCOC)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1Cc1c(C)nn(C)c1C ZINC001300654023 1069344628 /nfs/dbraw/zinc/34/46/28/1069344628.db2.gz RCNYZBGIRKGTBC-FQEVSTJZSA-N 0 0 485.032 4.173 20 30 JIEDRN C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCC[C@H](c2nc(C(C)C)cs2)C1 ZINC001359303663 1069344921 /nfs/dbraw/zinc/34/49/21/1069344921.db2.gz WTTUUGYXBJIGMY-NRFANRHFSA-N 0 0 478.666 4.329 20 30 JIEDRN C=CCOc1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCCC[C@H](SC)C2)cc1 ZINC001359306526 1069346360 /nfs/dbraw/zinc/34/63/60/1069346360.db2.gz JNMKOGUUEUNYMZ-NRFANRHFSA-N 0 0 478.622 4.260 20 30 JIEDRN C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@@H]1c1ccsc1 ZINC001359305017 1069345805 /nfs/dbraw/zinc/34/58/05/1069345805.db2.gz QSVMRVPQSNIUPP-OAQYLSRUSA-N 0 0 451.596 4.179 20 30 JIEDRN C#CCN(CCOC)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1Cc1nnc(CC)s1 ZINC001300654753 1069346764 /nfs/dbraw/zinc/34/67/64/1069346764.db2.gz GEMMTJLQADLKJI-UHFFFAOYSA-N 0 0 482.610 4.361 20 30 JIEDRN C=CCOc1ccc(Cn2c([C@@H](C)CC)nnc2N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)cc1 ZINC001359306910 1069346835 /nfs/dbraw/zinc/34/68/35/1069346835.db2.gz UUUQSJYTVRMSCR-UGKGYDQZSA-N 0 0 485.629 4.135 20 30 JIEDRN C=CCOc1ccc(Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)C[C@@H]2CCOC2)cc1 ZINC001359307287 1069347634 /nfs/dbraw/zinc/34/76/34/1069347634.db2.gz GQXAQJLQVZTMDA-KRWDZBQOSA-N 0 0 472.387 4.122 20 30 JIEDRN O=C1C=C2CN(C(=S)Nc3ccc(Br)cc3OC(F)(F)F)CC[C@H]2S1 ZINC001200709446 1069349093 /nfs/dbraw/zinc/34/90/93/1069349093.db2.gz NEKDICSXWLHQHE-GFCCVEGCSA-N 0 0 453.305 4.319 20 30 JIEDRN C=CCOc1ccc(Cn2c(CC(C)(C)C)nnc2N2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)cc1 ZINC001359308499 1069349854 /nfs/dbraw/zinc/34/98/54/1069349854.db2.gz PTXXGMLUBFBPCJ-CUVVAGTFSA-N 0 0 454.615 4.253 20 30 JIEDRN C=CCOc1ccc(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCC[C@@H](C(C)C)C2)cc1 ZINC001359309537 1069352400 /nfs/dbraw/zinc/35/24/00/1069352400.db2.gz VIXVZPDSPXXZCK-GPXNEJASSA-N 0 0 454.615 4.488 20 30 JIEDRN C#CCN(CCOC)c1nnc(-c2ccc(C)c(Br)c2)n1CCc1csc(CC)n1 ZINC001300656513 1069352540 /nfs/dbraw/zinc/35/25/40/1069352540.db2.gz IOZAABACNPGAEE-UHFFFAOYSA-N 0 0 488.455 4.364 20 30 JIEDRN C=CCOc1ccccc1Cn1c(-c2cccnc2)nnc1N1C[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC001359309971 1069353219 /nfs/dbraw/zinc/35/32/19/1069353219.db2.gz IRLHEPFOFGRLPM-OXJNMPFZSA-N 0 0 459.472 4.109 20 30 JIEDRN C=CCOc1ccccc1Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(CC)C(C)C ZINC001359310302 1069353565 /nfs/dbraw/zinc/35/35/65/1069353565.db2.gz SFJHNBJQLRLQIB-UHFFFAOYSA-N 0 0 461.614 4.300 20 30 JIEDRN C=CCOc1ccccc1Cn1c(-c2ccc[nH]2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001359310427 1069353944 /nfs/dbraw/zinc/35/39/44/1069353944.db2.gz VVAJHVQYZWAGAT-LJQANCHMSA-N 0 0 478.597 4.237 20 30 JIEDRN C#CCN(CCOC)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1cccnc1OCC ZINC001300657163 1069355104 /nfs/dbraw/zinc/35/51/04/1069355104.db2.gz UXGXNKZOBAOFOQ-UHFFFAOYSA-N 0 0 465.623 4.204 20 30 JIEDRN C#CCN(CCOC)c1nnc(-c2ccc(Br)cc2)n1Cc1csc([C@@H](C)OC)n1 ZINC001300657117 1069355194 /nfs/dbraw/zinc/35/51/94/1069355194.db2.gz SCFHSMVHPODFLP-OAHLLOKOSA-N 0 0 490.427 4.006 20 30 JIEDRN C=CCOc1ccccc1Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](C)C[C@H](C)C1 ZINC001359311221 1069355307 /nfs/dbraw/zinc/35/53/07/1069355307.db2.gz VFQXBPTXRRZMHT-OALUTQOASA-N 0 0 465.623 4.365 20 30 JIEDRN C=CCOc1ccccc1Cn1c(N2CCC(OC(C)(C)C)CC2)nnc1[C@@]1(OCC)CCOC1 ZINC001359311166 1069355483 /nfs/dbraw/zinc/35/54/83/1069355483.db2.gz SLGSXNDCWJBNII-HHHXNRCGSA-N 0 0 484.641 4.327 20 30 JIEDRN C#CCN(CCOC)c1nnc(-c2ccc(Br)s2)n1C[C@H](C)N(C)c1ccccc1 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C=CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCc1cccs1 ZINC001359342919 1069408688 /nfs/dbraw/zinc/40/86/88/1069408688.db2.gz HTPZCJRZTOFRAW-LJQANCHMSA-N 0 0 493.699 4.246 20 30 JIEDRN C=CCSCCn1c(Cc2ccsc2)nnc1N(C)Cc1nc2ccsc2c(=O)[nH]1 ZINC001359345054 1069412603 /nfs/dbraw/zinc/41/26/03/1069412603.db2.gz RETQPEDDBGCWKN-UHFFFAOYSA-N 0 0 458.638 4.196 20 30 JIEDRN C=CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H](C)c1ccco1 ZINC001359343677 1069409873 /nfs/dbraw/zinc/40/98/73/1069409873.db2.gz YHODTOGPIJKWGV-MSOLQXFVSA-N 0 0 477.631 4.296 20 30 JIEDRN C=CCSCCn1c(N2CCO[C@H](c3ccccc3Cl)C2)nnc1[C@]1(OCC)CCOC1 ZINC001359346585 1069417582 /nfs/dbraw/zinc/41/75/82/1069417582.db2.gz OVONPBFRPBQHAW-REWPJTCUSA-N 0 0 479.046 4.081 20 30 JIEDRN C=CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 ZINC001359345708 1069414641 /nfs/dbraw/zinc/41/46/41/1069414641.db2.gz OCXHERVBRRVDIP-OAQYLSRUSA-N 0 0 472.655 4.167 20 30 JIEDRN C=CCSCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCSC(C)(C)C1 ZINC001359346177 1069416011 /nfs/dbraw/zinc/41/60/11/1069416011.db2.gz DBEBXXVOEFWAPO-CALCHBBNSA-N 0 0 467.705 4.300 20 30 JIEDRN C=CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC001359346774 1069418207 /nfs/dbraw/zinc/41/82/07/1069418207.db2.gz VSJWSCCVHJVBTN-OTPAQWSUSA-N 0 0 474.646 4.353 20 30 JIEDRN C=CCSCCn1c(COc2ccccc2CC)nnc1N1C[C@@H](O)CC2(CCCC2)C1 ZINC001359346821 1069418347 /nfs/dbraw/zinc/41/83/47/1069418347.db2.gz WXPDZOLOKUICOU-NRFANRHFSA-N 0 0 456.656 4.470 20 30 JIEDRN C=CCSCCn1c(N2CCC(C)=C(Br)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001359346926 1069418354 /nfs/dbraw/zinc/41/83/54/1069418354.db2.gz ZQOTVXRMUAABBL-FQEVSTJZSA-N 0 0 471.465 4.117 20 30 JIEDRN C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc(C)c(Br)c3)n2C[C@H]2C[C@@H]2C)n1 ZINC001300676849 1069427359 /nfs/dbraw/zinc/42/73/59/1069427359.db2.gz UYMFDFMKISLKBT-AZUAARDMSA-N 0 0 497.441 4.155 20 30 JIEDRN C#CCn1ccc(CN(CCOC)c2nnc(C(C)(C)C)n2CC2CC(c3ccccc3)C2)n1 ZINC001300676404 1069424152 /nfs/dbraw/zinc/42/41/52/1069424152.db2.gz OXZDUZUPBUAEAM-UHFFFAOYSA-N 0 0 460.626 4.252 20 30 JIEDRN C#CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cc(C2CC2)ccc1F ZINC001300676567 1069424684 /nfs/dbraw/zinc/42/46/84/1069424684.db2.gz QCQQNRIJYJDAOL-FYYLOGMGSA-N 0 0 454.590 4.348 20 30 JIEDRN C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc(Cl)cc3F)n2C[C@H]2CCCS2)n1 ZINC001300676846 1069426881 /nfs/dbraw/zinc/42/68/81/1069426881.db2.gz UWGHUVQJJIFJOB-LJQANCHMSA-N 0 0 489.020 4.116 20 30 JIEDRN C#CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1(CC(C)C)CC1 ZINC001300677162 1069429232 /nfs/dbraw/zinc/42/92/32/1069429232.db2.gz ZINUJFNFNNKBSO-FQEVSTJZSA-N 0 0 459.635 4.262 20 30 JIEDRN COc1ccccc1SCc1nnc(N2CCC[C@@](C)(C#N)C2)n1CCn1cc(Cl)cn1 ZINC001300678152 1069436018 /nfs/dbraw/zinc/43/60/18/1069436018.db2.gz CTOXMOWOZRLKJG-QFIPXVFZSA-N 0 0 472.018 4.259 20 30 JIEDRN COc1ccccc1SCc1nnc(N2CCC[C@@](C)(C#N)C2)n1CCNC(=O)OC(C)(C)C ZINC001300679696 1069441223 /nfs/dbraw/zinc/44/12/23/1069441223.db2.gz NPDWJDMSUJWWKX-DEOSSOPVSA-N 0 0 486.642 4.234 20 30 JIEDRN C#CCn1ccc(CN(CCOC)c2nnc(C3CCC3)n2Cc2ccccc2C(F)(F)F)n1 ZINC001300680995 1069446575 /nfs/dbraw/zinc/44/65/75/1069446575.db2.gz IVHGGTGSMSCBHV-UHFFFAOYSA-N 0 0 472.515 4.095 20 30 JIEDRN CC(=O)Nc1ccc(Cn2c(COc3cc(C)ccc3C(C)C)nnc2N2CCC(C#N)CC2)cn1 ZINC001359408733 1069520819 /nfs/dbraw/zinc/52/08/19/1069520819.db2.gz XQFDJWLZOIDNQU-UHFFFAOYSA-N 0 0 487.608 4.431 20 30 JIEDRN CC(=O)NC1CCC(N(C)c2nnc(-c3cccc(C#N)c3)n2Cc2nc(C(C)C)cs2)CC1 ZINC001359412476 1069532352 /nfs/dbraw/zinc/53/23/52/1069532352.db2.gz YKETVUHUGYFMMF-UHFFFAOYSA-N 0 0 477.638 4.328 20 30 JIEDRN CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](c2nc(C(C)C)cs2)C1 ZINC001359456342 1069581748 /nfs/dbraw/zinc/58/17/48/1069581748.db2.gz VYUYSQZHVRSBHA-OAQYLSRUSA-N 0 0 477.638 4.307 20 30 JIEDRN C[C@@H](C#N)CN(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1Cc1ccnc(OC(F)F)c1 ZINC001359466849 1069602851 /nfs/dbraw/zinc/60/28/51/1069602851.db2.gz IVLLYXMMAKPBLC-LSDHHAIUSA-N 0 0 460.460 4.198 20 30 JIEDRN C[C@H](C#N)CN(C)c1nnc([C@H](C)Oc2ccccc2F)n1CCCNC(=O)OC(C)(C)C ZINC001359466601 1069600912 /nfs/dbraw/zinc/60/09/12/1069600912.db2.gz FATHRZUHWTWRMQ-SJORKVTESA-N 0 0 460.554 4.068 20 30 JIEDRN C[C@@H](C#N)CN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1ccc(OC(C)(C)C)nc1 ZINC001359467016 1069603955 /nfs/dbraw/zinc/60/39/55/1069603955.db2.gz KXLZWDLPCHPFKO-KRWDZBQOSA-N 0 0 496.015 4.078 20 30 JIEDRN C[C@@H](C#N)CN(C)c1nnc(-c2ccc(Br)s2)n1Cc1ccc(N2CCCC2)nc1 ZINC001359467936 1069606112 /nfs/dbraw/zinc/60/61/12/1069606112.db2.gz AYHMBFMHONNJHT-HNNXBMFYSA-N 0 0 486.443 4.408 20 30 JIEDRN C[C@@H](C#N)CN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCNC(=O)c1ccccc1F ZINC001359468244 1069607316 /nfs/dbraw/zinc/60/73/16/1069607316.db2.gz HUSOQUNBTARGRJ-IRXDYDNUSA-N 0 0 480.613 4.296 20 30 JIEDRN C[C@H](C#N)CN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1ncnn1C(C)(C)C ZINC001359468380 1069608226 /nfs/dbraw/zinc/60/82/26/1069608226.db2.gz KLFXDSUVXWHAIB-HZPDHXFCSA-N 0 0 452.632 4.122 20 30 JIEDRN C[C@H](C#N)CN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCCN(C)C(=O)OC(C)(C)C ZINC001359468466 1069609310 /nfs/dbraw/zinc/60/93/10/1069609310.db2.gz LTBDFDCPCZRKDU-GOSISDBHSA-N 0 0 478.601 4.188 20 30 JIEDRN C[C@@H](C#N)CN(C)c1nnc(-c2ccc(Br)s2)n1CCCNC(=O)OC(C)(C)C ZINC001359468415 1069609807 /nfs/dbraw/zinc/60/98/07/1069609807.db2.gz KXILSIXVRXTXCG-ZDUSSCGKSA-N 0 0 483.436 4.280 20 30 JIEDRN C[C@@H](C#N)CN(C)c1nnc(-c2cccc(Cl)c2)n1C[C@@H](c1cccs1)N1CCOCC1 ZINC001359468507 1069609987 /nfs/dbraw/zinc/60/99/87/1069609987.db2.gz MJWGREMDASXIPD-PXNSSMCTSA-N 0 0 471.030 4.329 20 30 JIEDRN C[C@@H](C#N)CN(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC[C@@H](C(F)F)N1CCOCC1 ZINC001359468824 1069612117 /nfs/dbraw/zinc/61/21/17/1069612117.db2.gz SEJTWCKJVQLYCH-RXVVDRJESA-N 0 0 474.600 4.194 20 30 JIEDRN C[C@@H](C#N)CN(C)c1nnc(-c2ccc(Cl)cc2F)n1CCCNC(=O)OC(C)(C)C ZINC001359469826 1069616349 /nfs/dbraw/zinc/61/63/49/1069616349.db2.gz LKGNNHNXUKLETH-AWEZNQCLSA-N 0 0 450.946 4.248 20 30 JIEDRN C[C@@H](C#N)CN(C)c1nnc(-c2ccc3ccccc3n2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC001359469608 1069616386 /nfs/dbraw/zinc/61/63/86/1069616386.db2.gz IISGAZFOEYFPMB-AZUAARDMSA-N 0 0 475.597 4.489 20 30 JIEDRN C[C@H](C#N)CN(C)c1nnc(-c2cccc(C#N)c2)n1CCC1CCN(CC(F)(F)F)CC1 ZINC001359470481 1069618758 /nfs/dbraw/zinc/61/87/58/1069618758.db2.gz YSQGPYJATHHEQO-QGZVFWFLSA-N 0 0 459.520 4.077 20 30 JIEDRN C[C@H](C#N)CN(C)c1nnc(-c2cccc3cccnc32)n1Cc1cccnc1OCC(F)(F)F ZINC001359470111 1069619111 /nfs/dbraw/zinc/61/91/11/1069619111.db2.gz RAMUXELDTZZCDP-MRXNPFEDSA-N 0 0 481.482 4.474 20 30 JIEDRN C[C@H](C#N)CN(C)c1nnc([C@@H]2COc3ccccc3O2)n1Cc1cc(Br)cs1 ZINC001359474224 1069625573 /nfs/dbraw/zinc/62/55/73/1069625573.db2.gz OWHFZQJSBLTUFY-ACJLOTCBSA-N 0 0 474.384 4.259 20 30 JIEDRN C[C@H](C#N)CN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(Cc2ccccc2)CC1 ZINC001359474543 1069626994 /nfs/dbraw/zinc/62/69/94/1069626994.db2.gz TWNGDDRBGUFINM-IRLDBZIGSA-N 0 0 494.640 4.205 20 30 JIEDRN C[C@@H](C#N)CN(C)c1nnc(Cc2ccsc2)n1CC(C)(C)c1ccc2c(c1)OCCO2 ZINC001359476080 1069630338 /nfs/dbraw/zinc/63/03/38/1069630338.db2.gz WVHISDLKYMOUBP-KRWDZBQOSA-N 0 0 451.596 4.275 20 30 JIEDRN C[C@H](C#N)CN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCCSc1nccs1 ZINC001359473760 1069625637 /nfs/dbraw/zinc/62/56/37/1069625637.db2.gz HLCZFDMMTCEKJF-QAPCUYQASA-N 0 0 456.597 4.025 20 30 JIEDRN C[C@H](C#N)CN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1nc(C(F)(F)F)cs1 ZINC001359477313 1069637294 /nfs/dbraw/zinc/63/72/94/1069637294.db2.gz VOCRXAWDGOIZIY-KGLIPLIRSA-N 0 0 499.563 4.470 20 30 JIEDRN C[C@@H](C#N)CN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1c(F)cc(F)c(F)c1F ZINC001359478575 1069641939 /nfs/dbraw/zinc/64/19/39/1069641939.db2.gz VQADJDKFSVZNTJ-MELADBBJSA-N 0 0 496.509 4.249 20 30 JIEDRN CC(C)(C)c1ccc(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2ccc(F)cn2)cc1 ZINC001359497849 1069740991 /nfs/dbraw/zinc/74/09/91/1069740991.db2.gz FWQAQZKZFCMUJG-XMMPIXPASA-N 0 0 452.509 4.179 20 30 JIEDRN CC(C)(C)c1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCSCC(F)(F)F)cc1 ZINC001359498426 1069746570 /nfs/dbraw/zinc/74/65/70/1069746570.db2.gz YSBZBKGFCGCLQX-GOSISDBHSA-N 0 0 483.560 4.179 20 30 JIEDRN CC(C)(C)c1nccc(CCCn2c(COc3ccc(C#N)cc3)nnc2N2CC=CCC2)n1 ZINC001359501057 1069762914 /nfs/dbraw/zinc/76/29/14/1069762914.db2.gz RUCUHUDIUGYBFF-UHFFFAOYSA-N 0 0 457.582 4.215 20 30 JIEDRN CC(C)(C)Cc1nnc(N(CCO)Cc2ccc(Br)s2)n1Cc1ccc(C#N)o1 ZINC001359525548 1069815147 /nfs/dbraw/zinc/81/51/47/1069815147.db2.gz HHHPYFUHROBBEE-UHFFFAOYSA-N 0 0 478.416 4.203 20 30 JIEDRN CC(C)(C)Cc1nnc(N2CCC(C)(C#N)CC2)n1CC(F)(F)CNC(=O)OC(C)(C)C ZINC001359527254 1069816965 /nfs/dbraw/zinc/81/69/65/1069816965.db2.gz GFYUFOYVCLDZLM-UHFFFAOYSA-N 0 0 454.566 4.157 20 30 JIEDRN CC(C)(C)Cc1nnc(N2CCC[C@H](Cc3ccc(C#N)cc3)C2)n1CCN1CCOCC1(C)C ZINC001359534538 1069827620 /nfs/dbraw/zinc/82/76/20/1069827620.db2.gz XOANTVXLTJOEFG-XMMPIXPASA-N 0 0 478.685 4.308 20 30 JIEDRN Cc1ccccc1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C#N)CC1 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OWNUJWFMDIUBAI-GOEBONIOSA-N 0 0 485.352 4.085 20 30 JIEDRN C#CCCCn1c(COc2cc(C)ccc2C)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001300421819 1068642297 /nfs/dbraw/zinc/64/22/97/1068642297.db2.gz SARGOMXTVNCZPT-OAQYLSRUSA-N 0 0 467.614 4.238 20 30 JIEDRN C#CCN1CCN(c2nnc(-c3ccc(Br)s3)n2CCCCCCSC)CC1 ZINC001359031559 1068641979 /nfs/dbraw/zinc/64/19/79/1068641979.db2.gz HEGTXMACJLWMJK-UHFFFAOYSA-N 0 0 482.517 4.448 20 30 JIEDRN C#CCN1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@](C)(O)CCC(C)C)CC1 ZINC001359031862 1068642170 /nfs/dbraw/zinc/64/21/70/1068642170.db2.gz RUGXWSDZVNEFCR-HHHXNRCGSA-N 0 0 451.659 4.185 20 30 JIEDRN C#CCN1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@@H](C)c2ccc(F)cc2)CC1 ZINC001359031725 1068642388 /nfs/dbraw/zinc/64/23/88/1068642388.db2.gz NMHVAZSRTVRPPJ-MRXNPFEDSA-N 0 0 488.430 4.467 20 30 JIEDRN C#CCN1CCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2C[C@H]2CCO[C@@H]2C(C)C)CC1 ZINC001359033356 1068648094 /nfs/dbraw/zinc/64/80/94/1068648094.db2.gz ZBAUXUCBHDNSGP-AOYPEHQESA-N 0 0 479.669 4.186 20 30 JIEDRN C#CCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 ZINC001300423886 1068651199 /nfs/dbraw/zinc/65/11/99/1068651199.db2.gz XIEHIRZOQGEURD-OAQYLSRUSA-N 0 0 485.057 4.356 20 30 JIEDRN C#CCN1CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@@H](OC)[C@@H](C)CC)CC1 ZINC001359039633 1068653782 /nfs/dbraw/zinc/65/37/82/1068653782.db2.gz PSULJCROSVONPF-GHTZIAJQSA-N 0 0 462.063 4.040 20 30 JIEDRN C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3c(C)cc(Cl)cc3C)n2CCC2CC2)CC1 ZINC001359040921 1068654663 /nfs/dbraw/zinc/65/46/63/1068654663.db2.gz JNFIJGLRKZUHNZ-IBGZPJMESA-N 0 0 484.044 4.454 20 30 JIEDRN C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Br)s3)n2CCC=C(C)C)CC1 ZINC001359041695 1068655588 /nfs/dbraw/zinc/65/55/88/1068655588.db2.gz FNQBALUQROWTOL-UHFFFAOYSA-N 0 0 476.444 4.091 20 30 JIEDRN C#CCNC(=O)C1CCN(c2nnc(-c3cc4c(s3)CCCCC4)n2CCCCOCC)CC1 ZINC001359042052 1068657918 /nfs/dbraw/zinc/65/79/18/1068657918.db2.gz PUVROAFBVDTSIA-UHFFFAOYSA-N 0 0 483.682 4.058 20 30 JIEDRN C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Br)n2CC(C)(C)CC=C)CC1 ZINC001359043135 1068661152 /nfs/dbraw/zinc/66/11/52/1068661152.db2.gz IKPMKWWFAGSFPT-UHFFFAOYSA-N 0 0 484.442 4.276 20 30 JIEDRN C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2CC[C@@H](C)c2ccc(OC)cc2)CC1 ZINC001359046300 1068661846 /nfs/dbraw/zinc/66/18/46/1068661846.db2.gz MGKKNLOXTGIECY-HXUWFJFHSA-N 0 0 491.661 4.099 20 30 JIEDRN C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2Cc2ccc(CC)s2)CC1 ZINC001359046795 1068663181 /nfs/dbraw/zinc/66/31/81/1068663181.db2.gz GHUAEBIXRPUGLQ-UHFFFAOYSA-N 0 0 491.661 4.112 20 30 JIEDRN C#CCSCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001359048837 1068665211 /nfs/dbraw/zinc/66/52/11/1068665211.db2.gz CDMRTQVQFXCHMZ-NRFANRHFSA-N 0 0 469.655 4.244 20 30 JIEDRN C#CCSCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 ZINC001359049091 1068666402 /nfs/dbraw/zinc/66/64/02/1068666402.db2.gz HYGUKAUAITVMTD-ZWKOTPCHSA-N 0 0 471.030 4.165 20 30 JIEDRN C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(C(F)(F)F)CC1 ZINC001359050115 1068670954 /nfs/dbraw/zinc/67/09/54/1068670954.db2.gz GQLUJFLSNICOHP-UHFFFAOYSA-N 0 0 462.339 4.181 20 30 JIEDRN C#CCSCCn1c(-c2cc(F)ccc2Br)nnc1N(CC)C[C@H]1CCCO1 ZINC001359050616 1068674504 /nfs/dbraw/zinc/67/45/04/1068674504.db2.gz WCIAPPZETUHDEC-MRXNPFEDSA-N 0 0 467.408 4.218 20 30 JIEDRN C#CCSCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC(C(F)(F)F)CC1 ZINC001359050862 1068675725 /nfs/dbraw/zinc/67/57/25/1068675725.db2.gz FMIHGJYTKZLYKO-UHFFFAOYSA-N 0 0 484.544 4.116 20 30 JIEDRN C#CCSCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@H]2CCC[C@H]21 ZINC001359050875 1068675862 /nfs/dbraw/zinc/67/58/62/1068675862.db2.gz FYPVXMRMTCVRIX-IEBWSBKVSA-N 0 0 456.612 4.106 20 30 JIEDRN C#CCSCCn1c(-c2cc(OC)ccc2Br)nnc1N(C)Cc1cnc(C)s1 ZINC001359051381 1068676523 /nfs/dbraw/zinc/67/65/23/1068676523.db2.gz VGGJUAAPRONLSR-UHFFFAOYSA-N 0 0 492.468 4.484 20 30 JIEDRN C#CCSCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1C[C@H](C)O[C@@H](C)C1 ZINC001359051847 1068678518 /nfs/dbraw/zinc/67/85/18/1068678518.db2.gz LPADLNXRFXNRLD-OALUTQOASA-N 0 0 452.580 4.097 20 30 JIEDRN C#CCSCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@H](C(=O)NCCC)C1 ZINC001359051905 1068678568 /nfs/dbraw/zinc/67/85/68/1068678568.db2.gz NSQROJMEMPFGKZ-INIZCTEOSA-N 0 0 480.465 4.361 20 30 JIEDRN C#CCN(C)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C ZINC001300431040 1068679124 /nfs/dbraw/zinc/67/91/24/1068679124.db2.gz SAIQHEQALJNEPQ-OALUTQOASA-N 0 0 471.602 4.142 20 30 JIEDRN C#CCSCCn1c(-c2ccc(F)cc2Br)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 ZINC001359052958 1068684129 /nfs/dbraw/zinc/68/41/29/1068684129.db2.gz WIZSVXWGRBYFNE-BEFAXECRSA-N 0 0 479.419 4.218 20 30 JIEDRN C#CCSCCn1c(-c2cccn2C)nnc1N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC001359053992 1068686016 /nfs/dbraw/zinc/68/60/16/1068686016.db2.gz GTYVPVCGVVKRIK-QFIPXVFZSA-N 0 0 470.042 4.253 20 30 JIEDRN C#CCSCCn1c(-c2ccccn2)nnc1N1CCC[C@@H](CNC(=O)Nc2ccc(C)cc2)C1 ZINC001359053943 1068686081 /nfs/dbraw/zinc/68/60/81/1068686081.db2.gz FJNLCCKUGODOIM-NRFANRHFSA-N 0 0 489.649 4.053 20 30 JIEDRN C#CCSCCn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)C2CCCCC2)CC1 ZINC001359053819 1068686351 /nfs/dbraw/zinc/68/63/51/1068686351.db2.gz ZFCKZCZMFDVERR-UHFFFAOYSA-N 0 0 472.058 4.194 20 30 JIEDRN C#CCSCCn1c(-c2nn(CC)c(=O)c3ccccc32)nnc1N(Cc1ccco1)C(C)C ZINC001359054714 1068687406 /nfs/dbraw/zinc/68/74/06/1068687406.db2.gz DYUKHVKLSCWFES-UHFFFAOYSA-N 0 0 476.606 4.049 20 30 JIEDRN C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC001359056506 1068689668 /nfs/dbraw/zinc/68/96/68/1068689668.db2.gz GOPRDUWCYSTUAA-FCHUYYIVSA-N 0 0 475.058 4.490 20 30 JIEDRN C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@@H](c2ccc(Cl)s2)C1 ZINC001359056610 1068690624 /nfs/dbraw/zinc/69/06/24/1068690624.db2.gz IGCLRCANUOUYFC-JKSUJKDBSA-N 0 0 453.033 4.179 20 30 JIEDRN C#CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 ZINC001359058687 1068693854 /nfs/dbraw/zinc/69/38/54/1068693854.db2.gz MTFWMNZXVGYDLU-IBGZPJMESA-N 0 0 469.655 4.319 20 30 JIEDRN C#CCSCCn1c(Cc2ccccc2C)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001359058662 1068694284 /nfs/dbraw/zinc/69/42/84/1068694284.db2.gz LSKBDODBJVMQQM-OAQYLSRUSA-N 0 0 483.682 4.285 20 30 JIEDRN C#CCSCCn1c(Cc2ccccc2C)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001359058661 1068694377 /nfs/dbraw/zinc/69/43/77/1068694377.db2.gz LSKBDODBJVMQQM-NRFANRHFSA-N 0 0 483.682 4.285 20 30 JIEDRN C#CCSCCn1c(CCc2ccccc2)nnc1N1CCC(NC(=O)NC2CCCCC2)CC1 ZINC001359060491 1068697269 /nfs/dbraw/zinc/69/72/69/1068697269.db2.gz WTCQXGYRKZTOQZ-UHFFFAOYSA-N 0 0 494.709 4.030 20 30 JIEDRN C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1C[C@@H](C)O[C@H](c2ccsc2)C1 ZINC001359061014 1068699438 /nfs/dbraw/zinc/69/94/38/1068699438.db2.gz OCQIIKGGJLRWOD-UTKZUKDTSA-N 0 0 472.611 4.391 20 30 JIEDRN C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1C[C@H](C)O[C@@H](c2ccsc2)C1 ZINC001359061013 1068699504 /nfs/dbraw/zinc/69/95/04/1068699504.db2.gz OCQIIKGGJLRWOD-LAUBAEHRSA-N 0 0 472.611 4.391 20 30 JIEDRN C#CCSCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@@H]1c1nncn1C ZINC001359062017 1068701074 /nfs/dbraw/zinc/70/10/74/1068701074.db2.gz TZWOIFRMEYWGAP-GOSISDBHSA-N 0 0 474.059 4.060 20 30 JIEDRN C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCc2c(cccc2OC)C1 ZINC001359062844 1068702791 /nfs/dbraw/zinc/70/27/91/1068702791.db2.gz VGVNHYFNUWBAML-IFMALSPDSA-N 0 0 454.640 4.134 20 30 JIEDRN C#CCN(C)c1nnc(-c2cccc(Br)c2)n1Cc1ccnc(C(F)(F)F)c1 ZINC001300438000 1068704359 /nfs/dbraw/zinc/70/43/59/1068704359.db2.gz CNYADFYPQOBUBB-UHFFFAOYSA-N 0 0 450.262 4.239 20 30 JIEDRN C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H](c1cccnc1)C(C)C ZINC001359065934 1068711115 /nfs/dbraw/zinc/71/11/15/1068711115.db2.gz IALOAOWCNXMQCH-JYFHCDHNSA-N 0 0 477.634 4.176 20 30 JIEDRN C#C[C@]1(C)CCCN1c1nnc(-c2cc(F)ccc2Br)n1C[C@]1(O)CCC[C@@H]1C ZINC001359066097 1068711425 /nfs/dbraw/zinc/71/14/25/1068711425.db2.gz NMVQRGKQMAGYFJ-ITEAAPOESA-N 0 0 461.379 4.390 20 30 JIEDRN C#CCN(C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H]1[C@H](C)CCN1C(=O)OC(C)(C)C ZINC001300440000 1068711679 /nfs/dbraw/zinc/71/16/79/1068711679.db2.gz OMUVEYZQGDGPES-APWZRJJASA-N 0 0 475.540 4.261 20 30 JIEDRN C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)cn2C)n1CCOc1ccccc1C ZINC001359066114 1068711665 /nfs/dbraw/zinc/71/16/65/1068711665.db2.gz NXSOWNJEJNXNIH-HSZRJFAPSA-N 0 0 468.399 4.426 20 30 JIEDRN C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C)c(Br)c2)n1Cc1ccc(NC(C)=O)nc1 ZINC001359066529 1068713250 /nfs/dbraw/zinc/71/32/50/1068713250.db2.gz FIGZXMJXRWAEGV-XMMPIXPASA-N 0 0 493.409 4.410 20 30 JIEDRN C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)s2)n1CCn1cc(Cl)cn1 ZINC001359066571 1068713674 /nfs/dbraw/zinc/71/36/74/1068713674.db2.gz GRUOIJIJLNPNRU-GOSISDBHSA-N 0 0 465.808 4.311 20 30 JIEDRN C#CCN(C)c1nnc(-c2ccc(Br)s2)n1Cc1cccc(OCCCOC)c1 ZINC001300441301 1068716429 /nfs/dbraw/zinc/71/64/29/1068716429.db2.gz JRNZFPVBBLZGEA-UHFFFAOYSA-N 0 0 475.412 4.302 20 30 JIEDRN C#CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1CCc1scnc1C ZINC001300441348 1068717052 /nfs/dbraw/zinc/71/70/52/1068717052.db2.gz LQBLZIWZASWFHO-UHFFFAOYSA-N 0 0 450.793 4.438 20 30 JIEDRN C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1Cc1c(C)nn(C)c1C ZINC001359067550 1068717682 /nfs/dbraw/zinc/71/76/82/1068717682.db2.gz SLCYFMDVHHYIEL-AREMUKBSSA-N 0 0 462.598 4.132 20 30 JIEDRN C#CCN(C)c1nnc(-c2ccc(Br)cc2)n1CC(C)(C)NC(=O)OC(C)(C)C ZINC001300441762 1068719416 /nfs/dbraw/zinc/71/94/16/1068719416.db2.gz YWXILEZMDODJCX-UHFFFAOYSA-N 0 0 462.392 4.080 20 30 JIEDRN C#C[C@]1(C)CCCN1c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H](OC)[C@@H](C)CC ZINC001359070859 1068722822 /nfs/dbraw/zinc/72/28/22/1068722822.db2.gz WVQQYBPMPGFLSD-JDRJUVJTSA-N 0 0 473.662 4.446 20 30 JIEDRN C#CCN(C)c1nnc(-c2ccc(Br)s2)n1CCCCn1cc(Br)cn1 ZINC001300443371 1068727479 /nfs/dbraw/zinc/72/74/79/1068727479.db2.gz FJJGWDJVPDYKGI-UHFFFAOYSA-N 0 0 498.248 4.278 20 30 JIEDRN C#C[C@]1(C)CCCN1c1nnc(CSc2ccccc2OC)n1Cc1cccnc1OCC ZINC001359074471 1068730351 /nfs/dbraw/zinc/73/03/51/1068730351.db2.gz FPZPEGBUOSECGK-RUZDIDTESA-N 0 0 463.607 4.413 20 30 JIEDRN C=C(Br)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC(OCc2ccccc2)CC1 ZINC001359076957 1068733953 /nfs/dbraw/zinc/73/39/53/1068733953.db2.gz QCTSDNRSWYZNQF-UHFFFAOYSA-N 0 0 490.446 4.291 20 30 JIEDRN C=C(Br)Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H](C)O[C@@H](c2ccsc2)C1 ZINC001359077144 1068734598 /nfs/dbraw/zinc/73/45/98/1068734598.db2.gz VKKUIBAJQDMBCU-RHSMWYFYSA-N 0 0 482.448 4.133 20 30 JIEDRN C=C(Br)Cn1c([C@@H](C)CC)nnc1N1CCN(Cc2cc(C)ccc2OC)CC1 ZINC001359077083 1068734848 /nfs/dbraw/zinc/73/48/48/1068734848.db2.gz UFFGGTAMKBUVCK-KRWDZBQOSA-N 0 0 462.436 4.339 20 30 JIEDRN C=C(Br)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 ZINC001359077332 1068735182 /nfs/dbraw/zinc/73/51/82/1068735182.db2.gz ACKJADQBBBIDQC-DOWNOZBLSA-N 0 0 495.393 4.239 20 30 JIEDRN C=C(Br)Cn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N(C)Cc1cnn(C)c1C ZINC001359077747 1068736986 /nfs/dbraw/zinc/73/69/86/1068736986.db2.gz KCHYRLJRFONDOT-QGZVFWFLSA-N 0 0 489.418 4.404 20 30 JIEDRN C=C(Br)Cn1c(-c2cc(Br)cn2C)nnc1N1CC(C)(C)OC(C)(C)C1 ZINC001359077754 1068737010 /nfs/dbraw/zinc/73/70/10/1068737010.db2.gz KFMDCORYFVYVQV-UHFFFAOYSA-N 0 0 487.240 4.349 20 30 JIEDRN C=C(Br)Cn1c(-c2ccc(Br)s2)nnc1N1CC[C@](F)(C#N)C1 ZINC001359078756 1068742220 /nfs/dbraw/zinc/74/22/20/1068742220.db2.gz MKQOKISPSFGHBE-AWEZNQCLSA-N 0 0 461.158 4.120 20 30 JIEDRN COc1cccc(O[C@H](C)Cn2c(-c3cc(Br)cn3C)nnc2N(C)C[C@H](C)C#N)c1 ZINC001300448063 1068743630 /nfs/dbraw/zinc/74/36/30/1068743630.db2.gz ZRENHKZBGDUQLW-HZPDHXFCSA-N 0 0 487.402 4.118 20 30 JIEDRN C=C(Br)Cn1c(-c2ccc(F)cc2Br)nnc1N(C)CCCCCO ZINC001359079317 1068744912 /nfs/dbraw/zinc/74/49/12/1068744912.db2.gz GCAFZUMHFFDRHS-UHFFFAOYSA-N 0 0 476.188 4.354 20 30 JIEDRN C=C(Br)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@](C)(N2CCOCC2)C1 ZINC001359079236 1068744970 /nfs/dbraw/zinc/74/49/70/1068744970.db2.gz BYOYQBKMXFINHC-DEOSSOPVSA-N 0 0 488.474 4.452 20 30 JIEDRN C=C(Br)Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 ZINC001359079343 1068745335 /nfs/dbraw/zinc/74/53/35/1068745335.db2.gz GTTVBXVZYRMPHQ-ZYHUDNBSSA-N 0 0 466.689 4.058 20 30 JIEDRN C=C(Br)Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC001359079340 1068745432 /nfs/dbraw/zinc/74/54/32/1068745432.db2.gz GTTVBXVZYRMPHQ-CMPLNLGQSA-N 0 0 466.689 4.058 20 30 JIEDRN C=C(Br)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 ZINC001359079417 1068745477 /nfs/dbraw/zinc/74/54/77/1068745477.db2.gz JKHZCIYEUYZTGC-APWZRJJASA-N 0 0 472.431 4.114 20 30 JIEDRN C=C(Br)Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 ZINC001359079462 1068745564 /nfs/dbraw/zinc/74/55/64/1068745564.db2.gz KGSBRWNMPKNJIR-OAHLLOKOSA-N 0 0 461.795 4.310 20 30 JIEDRN COc1cccc(O[C@H](C)Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N(C)[C@H](C)CC#N)c1 ZINC001300448392 1068745645 /nfs/dbraw/zinc/74/56/45/1068745645.db2.gz BUGHXPBPIDYMCW-WTGUMLROSA-N 0 0 498.628 4.263 20 30 JIEDRN C=C(Br)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@@H](C(=O)NCCC)C1 ZINC001359079762 1068747358 /nfs/dbraw/zinc/74/73/58/1068747358.db2.gz VEKQHCPLDMCGRG-OAHLLOKOSA-N 0 0 496.837 4.258 20 30 JIEDRN C=C(Br)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@H](OC)C(C)(C)C1 ZINC001359079758 1068747611 /nfs/dbraw/zinc/74/76/11/1068747611.db2.gz VCPFMZQYYTZOKT-INIZCTEOSA-N 0 0 455.784 4.377 20 30 JIEDRN C=C(Br)Cn1c(-c2ccc(Cl)cc2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 ZINC001359079915 1068748987 /nfs/dbraw/zinc/74/89/87/1068748987.db2.gz ZQGHADMZTZAAQA-QFBILLFUSA-N 0 0 480.838 4.054 20 30 JIEDRN C=C(Br)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)[C@@H](C)CCSC ZINC001359080221 1068750224 /nfs/dbraw/zinc/75/02/24/1068750224.db2.gz KDHLIOABHCMMNB-AWEZNQCLSA-N 0 0 453.406 4.203 20 30 JIEDRN C=C(Br)Cn1c(-c2ccccc2C)nnc1N1CCN(CC(F)(F)C(F)F)CC1 ZINC001359080244 1068750341 /nfs/dbraw/zinc/75/03/41/1068750341.db2.gz LDZVBTRYBIFNKD-UHFFFAOYSA-N 0 0 476.316 4.185 20 30 JIEDRN C=C(Br)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC=C(Br)C1 ZINC001359080510 1068750886 /nfs/dbraw/zinc/75/08/86/1068750886.db2.gz UMYNTLZIONLQCL-UHFFFAOYSA-N 0 0 468.149 4.071 20 30 JIEDRN C=C(Br)Cn1c(-c2ccccn2)nnc1N1CCC[C@H](C(=O)NCCCCCC)C1 ZINC001359081080 1068753448 /nfs/dbraw/zinc/75/34/48/1068753448.db2.gz ODOHZDOCKZDKMI-SFHVURJKSA-N 0 0 475.435 4.162 20 30 JIEDRN C=C(Br)Cn1c(-c2ccccn2)nnc1N1CC[C@@H](COCc2ccccc2)C1 ZINC001359081191 1068753544 /nfs/dbraw/zinc/75/35/44/1068753544.db2.gz SBMYNJLCTSSVAI-LJQANCHMSA-N 0 0 454.372 4.292 20 30 JIEDRN C=C(Br)Cn1c(-c2cccnc2)nnc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC001359081253 1068753660 /nfs/dbraw/zinc/75/36/60/1068753660.db2.gz UYIHSWHSINIMNY-GOSISDBHSA-N 0 0 462.298 4.105 20 30 JIEDRN C=C(Br)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC(C)(C#N)CC1 ZINC001359083022 1068757357 /nfs/dbraw/zinc/75/73/57/1068757357.db2.gz ADARIXGCUOLZOA-UHFFFAOYSA-N 0 0 493.450 4.431 20 30 JIEDRN C#CCN(C)c1nnc(-c2cn(C)c3ccccc23)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C ZINC001300451497 1068757668 /nfs/dbraw/zinc/75/76/68/1068757668.db2.gz XETIUUCMZDWWAM-GOSISDBHSA-N 0 0 450.587 4.009 20 30 JIEDRN C=C(Br)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC=C(C)CC1 ZINC001359083386 1068758774 /nfs/dbraw/zinc/75/87/74/1068758774.db2.gz IUVIQQSUFDFIOY-KRWDZBQOSA-N 0 0 466.424 4.458 20 30 JIEDRN C=C(Br)Cn1c([C@H]2CCCCO2)nnc1N1CCC(O)(Cc2ccccc2F)CC1 ZINC001359083467 1068758798 /nfs/dbraw/zinc/75/87/98/1068758798.db2.gz KJVYWOHHHLVLGQ-LJQANCHMSA-N 0 0 479.394 4.141 20 30 JIEDRN C=C(Br)Cn1c([C@@H]2CCCCO2)nnc1N(C)Cc1ccc(OCC)c(OC)c1 ZINC001359083748 1068759326 /nfs/dbraw/zinc/75/93/26/1068759326.db2.gz QGJMIEYAHHSXLK-SFHVURJKSA-N 0 0 465.392 4.472 20 30 JIEDRN C=C(Br)Cn1c(CC(C)C)nnc1N1CCN(c2nc3cc(C)ccc3o2)CC1 ZINC001359084228 1068760681 /nfs/dbraw/zinc/76/06/81/1068760681.db2.gz AYFUAOTWWISVDT-UHFFFAOYSA-N 0 0 459.392 4.161 20 30 JIEDRN C=C(Br)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](OCCC)CC1 ZINC001359084386 1068761258 /nfs/dbraw/zinc/76/12/58/1068761258.db2.gz GDJKPEVIBNCCSN-YLJYHZDGSA-N 0 0 477.403 4.485 20 30 JIEDRN C=C(Br)Cn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC001359084731 1068762367 /nfs/dbraw/zinc/76/23/67/1068762367.db2.gz QCLFNIZHZXMLHX-RDTXWAMCSA-N 0 0 451.796 4.435 20 30 JIEDRN C=C(Br)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1C[C@@H](C)S[C@H](C)C1 ZINC001359084828 1068762665 /nfs/dbraw/zinc/76/26/65/1068762665.db2.gz TVYYLTROGVQDJC-CPUCHLNUSA-N 0 0 451.390 4.029 20 30 JIEDRN CCCCCCCCCCCCNC(=S)N1C[C@@H](C(=O)N2CCOCC2)C2(C1)CCOCC2 ZINC001200502696 1068764711 /nfs/dbraw/zinc/76/47/11/1068764711.db2.gz DUCBCPCSKCZSRJ-QHCPKHFHSA-N 0 0 481.747 4.369 20 30 JIEDRN C=C(Br)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC(C)(COC)CC1 ZINC001359085822 1068766060 /nfs/dbraw/zinc/76/60/60/1068766060.db2.gz ADNJHWWMIFCQJW-UHFFFAOYSA-N 0 0 463.420 4.233 20 30 JIEDRN C=C(Br)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](Oc2ccccc2Cl)C1 ZINC001359086679 1068768198 /nfs/dbraw/zinc/76/81/98/1068768198.db2.gz FMQYLLNXANAHDF-KRWDZBQOSA-N 0 0 491.821 4.359 20 30 JIEDRN C=C(Br)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](C(C)(C)C)C1 ZINC001359086913 1068769173 /nfs/dbraw/zinc/76/91/73/1068769173.db2.gz MPSBBNOFXHDHIN-AWEZNQCLSA-N 0 0 452.422 4.051 20 30 JIEDRN C=C(Br)Cn1c(CNC(=O)c2cccs2)nnc1N1CCSC2(CCCCC2)C1 ZINC001359087143 1068769640 /nfs/dbraw/zinc/76/96/40/1068769640.db2.gz VICIYYQWNZYHLW-UHFFFAOYSA-N 0 0 496.500 4.434 20 30 JIEDRN C=C(Br)Cn1c(CCc2ccccc2)nnc1N1CCC=C(Br)C1 ZINC001359087141 1068769727 /nfs/dbraw/zinc/76/97/27/1068769727.db2.gz VHCURCAXJRTKPU-UHFFFAOYSA-N 0 0 452.194 4.461 20 30 JIEDRN C=C(Br)Cn1c(COc2cc(C)ccc2C)nnc1N(C)CC1COC(C)(C)OC1 ZINC001359087456 1068770139 /nfs/dbraw/zinc/77/01/39/1068770139.db2.gz GPXIFQHBZVTHFS-UHFFFAOYSA-N 0 0 479.419 4.218 20 30 JIEDRN C=C(Br)Cn1c(COc2ccc(F)cc2)nnc1N(C)C1CCC2(CC1)OCCO2 ZINC001359087569 1068770912 /nfs/dbraw/zinc/77/09/12/1068770912.db2.gz KAIUPVBBJJDKBN-UHFFFAOYSA-N 0 0 481.366 4.027 20 30 JIEDRN C=C(Br)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCc2sccc2C1 ZINC001359087636 1068771432 /nfs/dbraw/zinc/77/14/32/1068771432.db2.gz MCLONYCHZAYPGR-UHFFFAOYSA-N 0 0 456.369 4.262 20 30 JIEDRN C=C(Br)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N(C)Cc1cnn(C)c1 ZINC001359087972 1068772806 /nfs/dbraw/zinc/77/28/06/1068772806.db2.gz WIRTUXRVIJIHIY-UHFFFAOYSA-N 0 0 486.201 4.442 20 30 JIEDRN C=C(Br)Cn1c(N2CCO[C@@H](COC(C)C)C2)nnc1C1(c2ccccc2)CCC1 ZINC001359088600 1068776368 /nfs/dbraw/zinc/77/63/68/1068776368.db2.gz OUISSUGWXFFPBB-HXUWFJFHSA-N 0 0 475.431 4.287 20 30 JIEDRN C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(Cc1cccs1)C1CC1 ZINC001359089306 1068778522 /nfs/dbraw/zinc/77/85/22/1068778522.db2.gz GJXWAAPXDJSIOZ-YOEHRIQHSA-N 0 0 453.406 4.141 20 30 JIEDRN C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC001359089601 1068779804 /nfs/dbraw/zinc/77/98/04/1068779804.db2.gz LMUYPQCQWFDQHG-SJORKVTESA-N 0 0 471.758 4.409 20 30 JIEDRN C=C(Br)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](c2nc(C)no2)C1 ZINC001359089575 1068779846 /nfs/dbraw/zinc/77/98/46/1068779846.db2.gz LDTHNLNGWJUVAH-BRWVUGGUSA-N 0 0 479.423 4.181 20 30 JIEDRN C=C(Br)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](c2nc(C)no2)C1 ZINC001359089576 1068779929 /nfs/dbraw/zinc/77/99/29/1068779929.db2.gz LDTHNLNGWJUVAH-GVDBMIGSSA-N 0 0 479.423 4.181 20 30 JIEDRN C=C(Br)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H]2[C@H](OC)CC[C@@H]2C1 ZINC001359089593 1068780106 /nfs/dbraw/zinc/78/01/06/1068780106.db2.gz LJBCEXDNOMUQMY-VSZNYVQBSA-N 0 0 496.450 4.120 20 30 JIEDRN C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC001359089857 1068780667 /nfs/dbraw/zinc/78/06/67/1068780667.db2.gz QFSGOJUOVBWTGL-ZXMXYHOLSA-N 0 0 481.641 4.144 20 30 JIEDRN C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(C(=O)C(C)C)CC1 ZINC001359090472 1068782728 /nfs/dbraw/zinc/78/27/28/1068782728.db2.gz BRMLXOIMAVWASK-SGNDLWITSA-N 0 0 465.642 4.106 20 30 JIEDRN C#CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CCC2(CCCCC2)O1 ZINC001300458070 1068783339 /nfs/dbraw/zinc/78/33/39/1068783339.db2.gz LUSQMDOGYOIEIY-NHCUHLMSSA-N 0 0 471.646 4.344 20 30 JIEDRN C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@H](C(=O)OC)C1 ZINC001359090955 1068785253 /nfs/dbraw/zinc/78/52/53/1068785253.db2.gz HUTVTVQDTXSIGN-OOSNJVJTSA-N 0 0 474.989 4.052 20 30 JIEDRN C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](CC)c2ccccc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001359091330 1068786274 /nfs/dbraw/zinc/78/62/74/1068786274.db2.gz MFHNLRRWGDZMPZ-QPXUXIHVSA-N 0 0 486.682 4.205 20 30 JIEDRN C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)CC(=O)NC(C)(C)C ZINC001359091755 1068788199 /nfs/dbraw/zinc/78/81/99/1068788199.db2.gz RMKHSAHCJZADBU-SPEDKVCISA-N 0 0 490.048 4.404 20 30 JIEDRN C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)Oc2ccccc2F)nnc1N(CC)Cc1cnn(C)c1 ZINC001359092030 1068789165 /nfs/dbraw/zinc/78/91/65/1068789165.db2.gz VZZGIGWDGRKJJE-XQFWAAQXSA-N 0 0 468.577 4.298 20 30 JIEDRN C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)CCCS(C)(=O)=O ZINC001359092473 1068790589 /nfs/dbraw/zinc/79/05/89/1068790589.db2.gz BECZAWYWFYSSKA-HNAYVOBHSA-N 0 0 487.453 4.104 20 30 JIEDRN C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)CCCS(C)(=O)=O ZINC001359092472 1068790968 /nfs/dbraw/zinc/79/09/68/1068790968.db2.gz BECZAWYWFYSSKA-DNVCBOLYSA-N 0 0 487.453 4.104 20 30 JIEDRN C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H](OCCOC)C1 ZINC001359093078 1068793524 /nfs/dbraw/zinc/79/35/24/1068793524.db2.gz JVYZRUBGLKOWJT-NNWRFLSQSA-N 0 0 461.006 4.212 20 30 JIEDRN C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)Cc1cc(C)cs1 ZINC001359093861 1068795295 /nfs/dbraw/zinc/79/52/95/1068795295.db2.gz UDQZSJDHACDXOK-SIKLNZKXSA-N 0 0 486.663 4.336 20 30 JIEDRN C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)C[C@H](C)C(=O)NC ZINC001359093937 1068795330 /nfs/dbraw/zinc/79/53/30/1068795330.db2.gz VDVNDESTILAITI-KHYOSLBOSA-N 0 0 466.413 4.051 20 30 JIEDRN C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 ZINC001359093806 1068795438 /nfs/dbraw/zinc/79/54/38/1068795438.db2.gz SSWVZCKISHJIKI-TZIWHRDSSA-N 0 0 487.048 4.210 20 30 JIEDRN C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cc(Br)cn2C)nnc1N1CCC(CC#N)CC1 ZINC001359094115 1068796543 /nfs/dbraw/zinc/79/65/43/1068796543.db2.gz XGNRIKOXBIKEGJ-FXAWDEMLSA-N 0 0 473.419 4.157 20 30 JIEDRN C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC(C)(C)OC(C)(C)C1 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WRQCKJLTCLOIED-HNNXBMFYSA-N 0 0 496.534 4.312 20 30 JIEDRN C#CCSCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)[C@@H](C)c1cccs1 ZINC001359050011 1068671208 /nfs/dbraw/zinc/67/12/08/1068671208.db2.gz CHFHTIUIBPFWMX-KRWDZBQOSA-N 0 0 488.708 4.172 20 30 JIEDRN C#CCSCCn1c(-c2cccc(Cl)c2)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 ZINC001359050506 1068673590 /nfs/dbraw/zinc/67/35/90/1068673590.db2.gz SRPSCXKACSMJBP-IBGZPJMESA-N 0 0 486.085 4.440 20 30 JIEDRN C#CCSCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC([C@@H]2CCOC2)CC1 ZINC001359050706 1068674307 /nfs/dbraw/zinc/67/43/07/1068674307.db2.gz ZNKIKAYVQRCJIJ-LJQANCHMSA-N 0 0 462.566 4.166 20 30 JIEDRN C#CCSCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@H]1c1ccco1 ZINC001359051424 1068676964 /nfs/dbraw/zinc/67/69/64/1068676964.db2.gz WCHOPQPPYIFDGY-SFHVURJKSA-N 0 0 468.579 4.272 20 30 JIEDRN C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001359052755 1068682353 /nfs/dbraw/zinc/68/23/53/1068682353.db2.gz ONHMOBAVEQMCDA-QGZVFWFLSA-N 0 0 491.061 4.053 20 30 JIEDRN C#CCSCCn1c(-c2cccc(C)n2)nnc1N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 ZINC001359055111 1068689010 /nfs/dbraw/zinc/68/90/10/1068689010.db2.gz SVAIGNBTIJKCHT-OAQYLSRUSA-N 0 0 485.560 4.194 20 30 JIEDRN C#CCSCCn1c(C2CCCC2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](CC)C1 ZINC001359056080 1068689541 /nfs/dbraw/zinc/68/95/41/1068689541.db2.gz XITWLRRGDLMARX-ICSRJNTNSA-N 0 0 461.676 4.432 20 30 JIEDRN C#CCSCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@@H](C)C[C@H](C)C1 ZINC001359056526 1068690639 /nfs/dbraw/zinc/69/06/39/1068690639.db2.gz GVAFKPSIYQULRZ-OALUTQOASA-N 0 0 461.676 4.241 20 30 JIEDRN C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CCc2ccc(Cl)nc2C1 ZINC001359058345 1068693039 /nfs/dbraw/zinc/69/30/39/1068693039.db2.gz ZUUVXZVEPFMRQQ-UHFFFAOYSA-N 0 0 459.953 4.125 20 30 JIEDRN C#CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001359058806 1068694159 /nfs/dbraw/zinc/69/41/59/1068694159.db2.gz QHKRHTQRIWAQBP-UHFFFAOYSA-N 0 0 490.073 4.382 20 30 JIEDRN C#CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001359058553 1068694302 /nfs/dbraw/zinc/69/43/02/1068694302.db2.gz HVAKSHBDPCWQHW-SFHVURJKSA-N 0 0 490.073 4.334 20 30 JIEDRN C#CCSCCn1c(CC2CCCC2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001359059131 1068694851 /nfs/dbraw/zinc/69/48/51/1068694851.db2.gz BLBLOXJWBXXFNW-UHFFFAOYSA-N 0 0 461.676 4.213 20 30 JIEDRN C#CCSCCn1c(CC2CCCC2)nnc1N1CCC(C(=O)NC2CCCCC2)CC1 ZINC001359059442 1068695357 /nfs/dbraw/zinc/69/53/57/1068695357.db2.gz NPCHGEKVDMTLGC-UHFFFAOYSA-N 0 0 457.688 4.043 20 30 JIEDRN C#CCSCCn1c(CCCc2ccccc2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001359059874 1068695891 /nfs/dbraw/zinc/69/58/91/1068695891.db2.gz DBOPNSGTTXCFAN-JOCHJYFZSA-N 0 0 483.682 4.265 20 30 JIEDRN C#CCSCCn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@@H](C)c1cc(F)ccc1F ZINC001359059715 1068695956 /nfs/dbraw/zinc/69/59/56/1068695956.db2.gz XFDYEIAIWJMUDE-KRWDZBQOSA-N 0 0 466.561 4.359 20 30 JIEDRN C#CCSCCn1c(COc2ccc(C)cc2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC001359060998 1068698268 /nfs/dbraw/zinc/69/82/68/1068698268.db2.gz NNMUTICXFIJNNQ-QFIPXVFZSA-N 0 0 482.572 4.062 20 30 JIEDRN C#CCSCCn1c(CSc2ccc(C)cc2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 ZINC001359061404 1068700129 /nfs/dbraw/zinc/70/01/29/1068700129.db2.gz ASUZGHPYLBJVFQ-HXUWFJFHSA-N 0 0 472.680 4.020 20 30 JIEDRN C#CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC001359062315 1068701757 /nfs/dbraw/zinc/70/17/57/1068701757.db2.gz CQKFDIOSZJTXNU-KSZLIROESA-N 0 0 483.629 4.444 20 30 JIEDRN C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCOc1ccc(C)cc1 ZINC001359062821 1068702604 /nfs/dbraw/zinc/70/26/04/1068702604.db2.gz USAJMYWLGKYSLG-FGZHOGPDSA-N 0 0 456.656 4.387 20 30 JIEDRN C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCCn1nc(C)cc1C ZINC001359063822 1068705093 /nfs/dbraw/zinc/70/50/93/1068705093.db2.gz FGCBSNGGYHOYGC-CJFMBICVSA-N 0 0 450.562 4.453 20 30 JIEDRN C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H](C)N1CCOCC1 ZINC001359064664 1068706424 /nfs/dbraw/zinc/70/64/24/1068706424.db2.gz XVQVQQBMCYVCDT-LZCXECNNSA-N 0 0 486.060 4.401 20 30 JIEDRN C#C[C@]1(C)CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1CCc1ccc(F)cc1Cl ZINC001359064808 1068707411 /nfs/dbraw/zinc/70/74/11/1068707411.db2.gz AMVYELUZFSXZKC-DNQXCXABSA-N 0 0 460.981 4.346 20 30 JIEDRN C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1CCc1ccc(F)cc1Cl ZINC001359064809 1068707626 /nfs/dbraw/zinc/70/76/26/1068707626.db2.gz AMVYELUZFSXZKC-RPWUZVMVSA-N 0 0 460.981 4.346 20 30 JIEDRN C#CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccnc(Oc2ccccc2F)c1 ZINC001300439011 1068708009 /nfs/dbraw/zinc/70/80/09/1068708009.db2.gz XZIFIQJMLSONCI-UHFFFAOYSA-N 0 0 481.329 4.480 20 30 JIEDRN C#C[C@]1(C)CCCN1c1nnc(-c2cc(F)ccc2Br)n1Cc1ncccc1N(C)C ZINC001359066328 1068712594 /nfs/dbraw/zinc/71/25/94/1068712594.db2.gz XFRKARLWCNFAIR-HSZRJFAPSA-N 0 0 483.389 4.348 20 30 JIEDRN C#CCN(C)c1nnc(-c2ccc(Br)s2)n1C[C@](O)(c1ccccc1)C(F)(F)F ZINC001300440943 1068714556 /nfs/dbraw/zinc/71/45/56/1068714556.db2.gz BVXCBAVILTVCGY-SFHVURJKSA-N 0 0 485.329 4.289 20 30 JIEDRN C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@@H]1CCCCS1(=O)=O ZINC001359067189 1068715410 /nfs/dbraw/zinc/71/54/10/1068715410.db2.gz DMAGQUPIQLGJAT-JYFHCDHNSA-N 0 0 484.666 4.329 20 30 JIEDRN C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OCCC)c(OC)c2)n1Cc1nccn1C(F)F ZINC001359067502 1068716201 /nfs/dbraw/zinc/71/62/01/1068716201.db2.gz QBOPLNSDWZXYBG-XMMPIXPASA-N 0 0 470.524 4.375 20 30 JIEDRN C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C)n2)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C ZINC001359068484 1068719532 /nfs/dbraw/zinc/71/95/32/1068719532.db2.gz CIJDMUMNZLKDTK-AVRWGWEMSA-N 0 0 452.603 4.144 20 30 JIEDRN C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C)n2)n1C[C@H]1[C@H](C)CCN1C(=O)OC(C)(C)C ZINC001359069846 1068721015 /nfs/dbraw/zinc/72/10/15/1068721015.db2.gz ZVYXGKIEOURZJB-JJHGTGHCSA-N 0 0 464.614 4.286 20 30 JIEDRN C#C[C@]1(C)CCCN1c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=C)c1ccccc1 ZINC001359069878 1068721997 /nfs/dbraw/zinc/72/19/97/1068721997.db2.gz AJZXMFBJCKJLKM-WXVAWEFUSA-N 0 0 477.609 4.292 20 30 JIEDRN C#C[C@]1(C)CCCN1c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H](OC)[C@H](C)CC ZINC001359070857 1068722705 /nfs/dbraw/zinc/72/27/05/1068722705.db2.gz WVQQYBPMPGFLSD-BNIKKZEQSA-N 0 0 473.662 4.446 20 30 JIEDRN C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCOC2)n1Cc1cccc(COCC(F)(F)F)c1 ZINC001359070908 1068722764 /nfs/dbraw/zinc/72/27/64/1068722764.db2.gz XWPLIHDDIHQJOI-NZQKXSOJSA-N 0 0 462.516 4.291 20 30 JIEDRN C#C[C@]1(C)CCCN1c1nnc(Cc2ccccn2)n1Cc1ccc(C)cc1OCCOCC ZINC001359072314 1068724890 /nfs/dbraw/zinc/72/48/90/1068724890.db2.gz XQFVOJWUAOVRLQ-HHHXNRCGSA-N 0 0 459.594 4.028 20 30 JIEDRN C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Br)cc2)n1CCCn1ccnc1C ZINC001359073099 1068726190 /nfs/dbraw/zinc/72/61/90/1068726190.db2.gz CHWJRGABANIRDC-HSZRJFAPSA-N 0 0 483.414 4.207 20 30 JIEDRN C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)cc2)n1CCOc1ccc(Cl)cn1 ZINC001359073826 1068727930 /nfs/dbraw/zinc/72/79/30/1068727930.db2.gz GJTYSRYXARTEQY-XMMPIXPASA-N 0 0 451.958 4.285 20 30 JIEDRN C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@@H]1CCCCS1(=O)=O ZINC001359073569 1068728279 /nfs/dbraw/zinc/72/82/79/1068728279.db2.gz WOPAWLNOXAJFOE-HFZDXXHNSA-N 0 0 484.666 4.248 20 30 JIEDRN C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCc1csc(C)n1 ZINC001359074426 1068730637 /nfs/dbraw/zinc/73/06/37/1068730637.db2.gz CTCJZPZLFHCIAS-YADARESESA-N 0 0 470.643 4.350 20 30 JIEDRN C=C(Br)Cn1c([C@H](C)CC)nnc1N1CCN(Cc2cc(C)ccc2OC)CC1 ZINC001359077084 1068734917 /nfs/dbraw/zinc/73/49/17/1068734917.db2.gz UFFGGTAMKBUVCK-QGZVFWFLSA-N 0 0 462.436 4.339 20 30 JIEDRN C=C(Br)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC(C)(C)CC1 ZINC001359077536 1068735786 /nfs/dbraw/zinc/73/57/86/1068735786.db2.gz FDIXBSDFNFVCTI-UHFFFAOYSA-N 0 0 481.464 4.082 20 30 JIEDRN C=C(Br)Cn1c(-c2cc(C)nc3ccccc32)nnc1N1CCC(NC(=O)C(C)C)CC1 ZINC001359077537 1068736019 /nfs/dbraw/zinc/73/60/19/1068736019.db2.gz FDJRSOOHZIIJQA-UHFFFAOYSA-N 0 0 497.441 4.451 20 30 JIEDRN C=C(Br)Cn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1ccc(C)o1 ZINC001359077867 1068737116 /nfs/dbraw/zinc/73/71/16/1068737116.db2.gz NIUISYNKIYGLJY-UHFFFAOYSA-N 0 0 469.181 4.493 20 30 JIEDRN C#CCN(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C ZINC001300446316 1068737159 /nfs/dbraw/zinc/73/71/59/1068737159.db2.gz JHTYEITXTLQJOS-KXBFYZLASA-N 0 0 461.969 4.453 20 30 JIEDRN C#CCN(C)c1nnc(-c2ccc(F)cc2Br)n1Cc1ccnc(OCC(F)(F)F)c1 ZINC001300446770 1068737810 /nfs/dbraw/zinc/73/78/10/1068737810.db2.gz SHSPZJYVAHRNMK-UHFFFAOYSA-N 0 0 498.278 4.301 20 30 JIEDRN C=C(Br)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@H](N2CCCC2=O)C1 ZINC001359078011 1068738456 /nfs/dbraw/zinc/73/84/56/1068738456.db2.gz QCIDOSJQMLFGFV-SJORKVTESA-N 0 0 492.393 4.057 20 30 JIEDRN C=C(Br)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1C[C@H](COC)O[C@@H](C)C1 ZINC001359078165 1068738785 /nfs/dbraw/zinc/73/87/85/1068738785.db2.gz UPAXITBIEPARAF-YTQUADARSA-N 0 0 479.419 4.184 20 30 JIEDRN C=C(Br)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@H](C2CCOCC2)C1 ZINC001359079013 1068743490 /nfs/dbraw/zinc/74/34/90/1068743490.db2.gz VYEPHTNAMVHXBV-QGZVFWFLSA-N 0 0 477.403 4.124 20 30 JIEDRN C=C(Br)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCS[C@@H](C)[C@@H]1C ZINC001359079125 1068744052 /nfs/dbraw/zinc/74/40/52/1068744052.db2.gz ZFEACEMMLLCANS-KBPBESRZSA-N 0 0 483.432 4.210 20 30 JIEDRN C=C(Br)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)CCCc1ccccn1 ZINC001359079255 1068744927 /nfs/dbraw/zinc/74/49/27/1068744927.db2.gz DKBVPTMCVJLADL-UHFFFAOYSA-N 0 0 472.387 4.335 20 30 JIEDRN C=C(Br)Cn1c(-c2ccc(Cl)cc2)nnc1N(C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC001359079602 1068745995 /nfs/dbraw/zinc/74/59/95/1068745995.db2.gz PASDAZPXAFNXEL-IYBDPMFKSA-N 0 0 468.827 4.053 20 30 JIEDRN C=C(Br)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC001359079508 1068746178 /nfs/dbraw/zinc/74/61/78/1068746178.db2.gz LYRTUHFCMLTZDQ-IRXDYDNUSA-N 0 0 471.758 4.030 20 30 JIEDRN C=C(Br)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCC[C@H](OC)C1 ZINC001359079546 1068746285 /nfs/dbraw/zinc/74/62/85/1068746285.db2.gz NATLJBMGEUQAAD-AWEZNQCLSA-N 0 0 486.208 4.240 20 30 JIEDRN C=C(Br)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCCC[C@H](COC)C1 ZINC001359079857 1068748031 /nfs/dbraw/zinc/74/80/31/1068748031.db2.gz XISJFUJSVSUBJA-INIZCTEOSA-N 0 0 465.392 4.124 20 30 JIEDRN C=C(Br)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC(NC(=O)CCC)CC1 ZINC001359079875 1068748060 /nfs/dbraw/zinc/74/80/60/1068748060.db2.gz YCXJMYCSAIWULI-UHFFFAOYSA-N 0 0 496.837 4.401 20 30 JIEDRN C=C(Br)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@H](c2ccco2)C1 ZINC001359080110 1068749597 /nfs/dbraw/zinc/74/95/97/1068749597.db2.gz GNBMEUYZPONTDJ-HNNXBMFYSA-N 0 0 459.344 4.458 20 30 JIEDRN C=C(Br)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@H](c2ccco2)C1 ZINC001359080111 1068749718 /nfs/dbraw/zinc/74/97/18/1068749718.db2.gz GNBMEUYZPONTDJ-OAHLLOKOSA-N 0 0 459.344 4.458 20 30 JIEDRN C#CCN(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@@H]1[C@H](C)CCN1C(=O)OC(C)(C)C ZINC001300449328 1068749736 /nfs/dbraw/zinc/74/97/36/1068749736.db2.gz QJUUZHAEULOSKZ-UYAOXDASSA-N 0 0 483.613 4.067 20 30 JIEDRN 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JIEDRN C=C(Br)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(CC(F)(F)F)CC1 ZINC001359079264 1068744804 /nfs/dbraw/zinc/74/48/04/1068744804.db2.gz DQBHUZBLGIDULQ-UHFFFAOYSA-N 0 0 482.707 4.331 20 30 JIEDRN COc1cccc(O[C@@H](C)Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N(C)[C@@H](C)CC#N)c1 ZINC001300448390 1068745397 /nfs/dbraw/zinc/74/53/97/1068745397.db2.gz BUGHXPBPIDYMCW-LWYYNNOASA-N 0 0 498.628 4.263 20 30 JIEDRN C=C(Br)Cn1c(-c2ccc(C)o2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 ZINC001359079539 1068746092 /nfs/dbraw/zinc/74/60/92/1068746092.db2.gz MWILBQRDIVXWON-IBGZPJMESA-N 0 0 454.328 4.205 20 30 JIEDRN C=C(Br)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 ZINC001359079509 1068746273 /nfs/dbraw/zinc/74/62/73/1068746273.db2.gz LYRTUHFCMLTZDQ-SJORKVTESA-N 0 0 471.758 4.030 20 30 JIEDRN C=C(Br)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](C(=O)N[C@H](C)CCC)C1 ZINC001359079714 1068746963 /nfs/dbraw/zinc/74/69/63/1068746963.db2.gz SZMVWQPJVVSKAO-WBVHZDCISA-N 0 0 495.853 4.423 20 30 JIEDRN 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MMYPFBJXCJCYDW-IBGZPJMESA-N 0 0 463.424 4.158 20 30 JIEDRN C=C(Br)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H](OCC)C1 ZINC001359084052 1068760584 /nfs/dbraw/zinc/76/05/84/1068760584.db2.gz WZMVVPZVJDLWCT-ROUUACIJSA-N 0 0 498.466 4.307 20 30 JIEDRN C=C(Br)Cn1c(CC(C)(C)C)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1 ZINC001359084627 1068761711 /nfs/dbraw/zinc/76/17/11/1068761711.db2.gz NOSYLEKWJFRMRC-UHFFFAOYSA-N 0 0 456.335 4.128 20 30 JIEDRN C=C(Br)Cn1c([C@H]2COc3ccccc3O2)nnc1N(C)C[C@@H](C)c1nccs1 ZINC001359084577 1068761938 /nfs/dbraw/zinc/76/19/38/1068761938.db2.gz MAXYCNBDUMTHQZ-CXAGYDPISA-N 0 0 476.400 4.396 20 30 JIEDRN C=C(Br)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 ZINC001359084769 1068762455 /nfs/dbraw/zinc/76/24/55/1068762455.db2.gz RHDBARUKINGCGN-KRWDZBQOSA-N 0 0 475.822 4.233 20 30 JIEDRN C=C(Br)Cn1c(Cc2ccccn2)nnc1N(Cc1ccc(OC)cc1)C1CC1 ZINC001359085666 1068765479 /nfs/dbraw/zinc/76/54/79/1068765479.db2.gz VOXCLDGNBKCHPB-UHFFFAOYSA-N 0 0 454.372 4.350 20 30 JIEDRN 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/nfs/dbraw/zinc/95/53/16/1068955316.db2.gz KMDFHDWFTFDWBG-UHFFFAOYSA-N 0 0 491.636 4.050 20 30 JIEDRN C=CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1c1ccco1)c1ccccc1 ZINC001359194312 1068956244 /nfs/dbraw/zinc/95/62/44/1068956244.db2.gz SXRVTNSHOZKGLL-HMXCVIKNSA-N 0 0 469.611 4.183 20 30 JIEDRN C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1ccc(CSC)cc1 ZINC001300536595 1068956969 /nfs/dbraw/zinc/95/69/69/1068956969.db2.gz ZCKIXGMEACWGGT-HSZRJFAPSA-N 0 0 493.677 4.377 20 30 JIEDRN C=CC[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1)c1ccccc1 ZINC001359194533 1068957087 /nfs/dbraw/zinc/95/70/87/1068957087.db2.gz WYZQKVMBFDCZAG-DRMXPCRNSA-N 0 0 491.558 4.119 20 30 JIEDRN C=CC[C@H](Cn1c(Cc2ccncc2)nnc1N(C)CC1COC(C)(C)OC1)c1ccccc1 ZINC001359194752 1068959827 /nfs/dbraw/zinc/95/98/27/1068959827.db2.gz BAYUNIIEXPNCTN-XMMPIXPASA-N 0 0 461.610 4.459 20 30 JIEDRN C=CC[C@H](Cn1c(N2C[C@@H](CC)[C@@H](N3CCOCC3)C2)nnc1C(C)(C)C)c1ccccc1 ZINC001359195381 1068960923 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455.404 4.240 20 30 JIEDRN C=CCCCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC001359201636 1068978619 /nfs/dbraw/zinc/97/86/19/1068978619.db2.gz UYXMKTBJSDBWEO-HXUWFJFHSA-N 0 0 471.403 4.375 20 30 JIEDRN C=CCCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N1CCC(COC)CC1 ZINC001359201648 1068978803 /nfs/dbraw/zinc/97/88/03/1068978803.db2.gz VGSOITSEYCMQHM-UHFFFAOYSA-N 0 0 464.614 4.455 20 30 JIEDRN C=CCCCCn1c(-c2cnccn2)nnc1N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC001359201356 1068978829 /nfs/dbraw/zinc/97/88/29/1068978829.db2.gz KSFALHSEZGPKIT-HXUWFJFHSA-N 0 0 469.387 4.432 20 30 JIEDRN C=CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](COCC)C1 ZINC001359203109 1068980415 /nfs/dbraw/zinc/98/04/15/1068980415.db2.gz IJPKKTBWJMVTOD-RTWAWAEBSA-N 0 0 477.650 4.196 20 30 JIEDRN C=CCCCCn1c(Cc2c(F)cccc2F)nnc1N1C[C@@H](CC)[C@H](N2CCOCC2)C1 ZINC001359204664 1068981683 /nfs/dbraw/zinc/98/16/83/1068981683.db2.gz XEEBCCLKVIRETJ-AUSIDOKSSA-N 0 0 459.585 4.050 20 30 JIEDRN C=CCCCCn1c(Cc2ccncc2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001359205078 1068982989 /nfs/dbraw/zinc/98/29/89/1068982989.db2.gz KUIZOSFVQBEDOS-UHFFFAOYSA-N 0 0 454.619 4.456 20 30 JIEDRN C=CCCCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC001359205976 1068984353 /nfs/dbraw/zinc/98/43/53/1068984353.db2.gz QALLSELDOBOEAS-HXUWFJFHSA-N 0 0 461.969 4.127 20 30 JIEDRN C=CCCCCn1c(COc2ccc(Br)cc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 ZINC001359206097 1068984997 /nfs/dbraw/zinc/98/49/97/1068984997.db2.gz UKGIWHQVEZSZMR-QFIPXVFZSA-N 0 0 490.402 4.007 20 30 JIEDRN C=CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](COC(C)C)C1 ZINC001359206967 1068986151 /nfs/dbraw/zinc/98/61/51/1068986151.db2.gz VBFKMTQQZJETOA-SFTDATJTSA-N 0 0 477.650 4.337 20 30 JIEDRN C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1ccc(Cl)cc1F ZINC001300547479 1068988160 /nfs/dbraw/zinc/98/81/60/1068988160.db2.gz NHWIYPPLZBUALB-FQEVSTJZSA-N 0 0 471.964 4.264 20 30 JIEDRN C=CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCN(Cc2ccccc2OC)CC1 ZINC001359209203 1068989036 /nfs/dbraw/zinc/98/90/36/1068989036.db2.gz FGFXUHQVZXMHJJ-UHFFFAOYSA-N 0 0 499.457 4.343 20 30 JIEDRN C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN([C@H](C)c2ccsc2)CC1 ZINC001359210026 1068992108 /nfs/dbraw/zinc/99/21/08/1068992108.db2.gz HHHZRHKMEMQOLZ-LJQANCHMSA-N 0 0 485.679 4.260 20 30 JIEDRN C=CCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC001359210903 1068994859 /nfs/dbraw/zinc/99/48/59/1068994859.db2.gz MFTVEAYVCFDBCW-GOSISDBHSA-N 0 0 458.006 4.316 20 30 JIEDRN C=CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(C(=O)Nc2ccc(C)cn2)CC1 ZINC001359211832 1068996179 /nfs/dbraw/zinc/99/61/79/1068996179.db2.gz QBEYKQKVWRLGQD-UHFFFAOYSA-N 0 0 490.608 4.487 20 30 JIEDRN C=CCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC(c2cnn(C)c2)CC1 ZINC001359211714 1068996466 /nfs/dbraw/zinc/99/64/66/1068996466.db2.gz MDIXDPCTSDLTLE-UHFFFAOYSA-N 0 0 450.587 4.436 20 30 JIEDRN C=CCCCn1c(-c2ccccc2Cl)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 ZINC001359212791 1068997833 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APDZGRIDACJSBM-UHFFFAOYSA-N 0 0 463.582 4.038 20 30 JIEDRN C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(C)(C)c1cccc(OC)c1 ZINC001300553730 1069006675 /nfs/dbraw/zinc/00/66/75/1069006675.db2.gz QNDZRAWSRPBULS-GRGXKFILSA-N 0 0 491.636 4.108 20 30 JIEDRN C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1cccc(C2CC2)c1 ZINC001300553979 1069007473 /nfs/dbraw/zinc/00/74/73/1069007473.db2.gz WXYUMKXTZODQLJ-ZRZAMGCNSA-N 0 0 459.594 4.047 20 30 JIEDRN C=CCCCn1c(COc2ccccc2OC)nnc1N1C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001359220230 1069007992 /nfs/dbraw/zinc/00/79/92/1069007992.db2.gz SCZUIDWMEKHZFW-OALUTQOASA-N 0 0 471.602 4.181 20 30 JIEDRN C=CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001359221240 1069010035 /nfs/dbraw/zinc/01/00/35/1069010035.db2.gz VUSOIELVYYMQRE-JKSUJKDBSA-N 0 0 459.513 4.084 20 30 JIEDRN C=CCCOCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCS[C@H](C(C)C)C1 ZINC001359221608 1069010412 /nfs/dbraw/zinc/01/04/12/1069010412.db2.gz HRUJDVKQDDFSMY-NRFANRHFSA-N 0 0 457.644 4.318 20 30 JIEDRN C=CCCOCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 ZINC001359222359 1069011069 /nfs/dbraw/zinc/01/10/69/1069011069.db2.gz GQOUXPGNBBTXJE-MCEYFSPLSA-N 0 0 470.614 4.012 20 30 JIEDRN C=CCCOCCn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 ZINC001359223013 1069013069 /nfs/dbraw/zinc/01/30/69/1069013069.db2.gz YJMGMOAQMSOFRC-JOCHJYFZSA-N 0 0 480.451 4.280 20 30 JIEDRN C=CCCOCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC(CC(=O)NC)CC1 ZINC001359223305 1069013553 /nfs/dbraw/zinc/01/35/53/1069013553.db2.gz HGJIBKWEVAZGGP-UHFFFAOYSA-N 0 0 471.671 4.221 20 30 JIEDRN C=CCCOCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001359223384 1069014115 /nfs/dbraw/zinc/01/41/15/1069014115.db2.gz JVAGLLKYSOINFC-UHFFFAOYSA-N 0 0 493.555 4.196 20 30 JIEDRN C=CCCOCCn1c(-c2cccc(OC)c2)nnc1N1CCC(n2cc(Cl)cn2)CC1 ZINC001359223843 1069015196 /nfs/dbraw/zinc/01/51/96/1069015196.db2.gz XPZATMDWRVLYGV-UHFFFAOYSA-N 0 0 456.978 4.238 20 30 JIEDRN C=CCCOCCn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1CCN(C(=O)OC)CC1 ZINC001359223821 1069015373 /nfs/dbraw/zinc/01/53/73/1069015373.db2.gz XDJXUYQYIHGGSH-UHFFFAOYSA-N 0 0 485.585 4.294 20 30 JIEDRN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CCCCOc1cccc(C#N)c1 ZINC001354242414 1069016814 /nfs/dbraw/zinc/01/68/14/1069016814.db2.gz FNEZQRZOVQSQLM-UHFFFAOYSA-N 0 0 455.580 4.229 20 30 JIEDRN Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2cnc(CNC(=O)OC(C)(C)C)s2)c1C ZINC001354242972 1069016985 /nfs/dbraw/zinc/01/69/85/1069016985.db2.gz YXCTTYBEHAENAD-UHFFFAOYSA-N 0 0 452.540 4.094 20 30 JIEDRN C=CCCOCCn1c(-c2ccccc2F)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC001359225015 1069019091 /nfs/dbraw/zinc/01/90/91/1069019091.db2.gz KEGXXALFJBELJG-NRFANRHFSA-N 0 0 456.484 4.207 20 30 JIEDRN C=CCCOCCn1c(-c2ccccc2Cl)nnc1N1CCN(C2CCCCC2)C(=O)C1 ZINC001359224719 1069019152 /nfs/dbraw/zinc/01/91/52/1069019152.db2.gz AKMUBOQKMGGVSC-UHFFFAOYSA-N 0 0 458.006 4.173 20 30 JIEDRN C#CCN(CC#CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@]1(O)CCC[C@H]1C 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IRCRJXPLEHPPGL-UHFFFAOYSA-N 0 0 455.580 4.319 20 30 JIEDRN C=C(C)COCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 ZINC001359128890 1068839893 /nfs/dbraw/zinc/83/98/93/1068839893.db2.gz IVJKABBHDCNVGW-MRXNPFEDSA-N 0 0 478.424 4.340 20 30 JIEDRN C=C(C)COCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 ZINC001359129113 1068840198 /nfs/dbraw/zinc/84/01/98/1068840198.db2.gz RCEHEYMNLTVTRC-RXFWQSSRSA-N 0 0 454.615 4.220 20 30 JIEDRN C=C(C)COCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC001359129087 1068840209 /nfs/dbraw/zinc/84/02/09/1068840209.db2.gz QMGZSQLPPJORDT-UWJYYQICSA-N 0 0 480.440 4.002 20 30 JIEDRN C=C(C)COCCn1c(-c2ccccc2Br)nnc1N1CCC[C@@H](NC(=O)CCC)C1 ZINC001359129539 1068840751 /nfs/dbraw/zinc/84/07/51/1068840751.db2.gz FGZOXKRHDZNCTM-GOSISDBHSA-N 0 0 490.446 4.185 20 30 JIEDRN C=C(C)COCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 ZINC001359129625 1068841253 /nfs/dbraw/zinc/84/12/53/1068841253.db2.gz HUHLIIVAEPZAPL-YADHBBJMSA-N 0 0 470.614 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C=C(C)COCCn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N1CCC[C@H]1C(C)C ZINC001359131468 1068842712 /nfs/dbraw/zinc/84/27/12/1068842712.db2.gz VBOAAGFMEDRADC-QFIPXVFZSA-N 0 0 464.614 4.453 20 30 JIEDRN Cc1nn(C)c(N2CCN(c3nnc(-c4ccccc4C)n3CCCC(C)(C)C)CC2)c1C#N ZINC001492568271 1068843044 /nfs/dbraw/zinc/84/30/44/1068843044.db2.gz MUUWRGBOXDDETH-UHFFFAOYSA-N 0 0 460.630 4.320 20 30 JIEDRN C=C(C)COCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)CCC(F)(F)F ZINC001359133370 1068843553 /nfs/dbraw/zinc/84/35/53/1068843553.db2.gz QTECUKZBCIYOKR-UHFFFAOYSA-N 0 0 475.556 4.374 20 30 JIEDRN C=C(C)COCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(C2CCCCC2)C(=O)C1 ZINC001359135481 1068845364 /nfs/dbraw/zinc/84/53/64/1068845364.db2.gz FGYPWHDZLWKYGR-UHFFFAOYSA-N 0 0 481.641 4.048 20 30 JIEDRN C=C(C)COCCn1c(Cn2ccc3ccccc32)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001359136108 1068845753 /nfs/dbraw/zinc/84/57/53/1068845753.db2.gz ZLPOQAZOGCBKAW-JOCHJYFZSA-N 0 0 494.640 4.319 20 30 JIEDRN 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C=CCN(Cc1cccs1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)c1ccc(F)cc1 ZINC001359263828 1069293056 /nfs/dbraw/zinc/29/30/56/1069293056.db2.gz NMXHKHSBGWZVOC-HKUYNNGSSA-N 0 0 474.627 4.377 20 30 JIEDRN C=CCN(Cc1cccs1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(CSC)c1 ZINC001359263665 1069293163 /nfs/dbraw/zinc/29/31/63/1069293163.db2.gz INWQMANVSYANBU-HXUWFJFHSA-N 0 0 488.704 4.346 20 30 JIEDRN C=CCN(Cc1cccs1)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(C)(C)O ZINC001359264175 1069294816 /nfs/dbraw/zinc/29/48/16/1069294816.db2.gz WVZAIEOHPITCTL-IBGZPJMESA-N 0 0 491.658 4.002 20 30 JIEDRN C=CCN(Cc1cccs1)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(C)(C)O ZINC001359264176 1069294954 /nfs/dbraw/zinc/29/49/54/1069294954.db2.gz WVZAIEOHPITCTL-LJQANCHMSA-N 0 0 491.658 4.002 20 30 JIEDRN C=CCN(Cc1cccs1)c1nnc(Cc2csc(C)n2)n1C[C@](C)(O)c1ccco1 ZINC001359264334 1069295579 /nfs/dbraw/zinc/29/55/79/1069295579.db2.gz BSTDYXXFWRLKNL-QFIPXVFZSA-N 0 0 455.609 4.389 20 30 JIEDRN C=CCN(Cc1cccs1)c1nnc(COc2ccc(Cl)cc2)n1C[C@@H]1CCS(=O)(=O)C1 ZINC001359265029 1069298238 /nfs/dbraw/zinc/29/82/38/1069298238.db2.gz WKJPSHCEAMHMHL-KRWDZBQOSA-N 0 0 493.054 4.199 20 30 JIEDRN C=CCN(CC=C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@H](C)NC(=O)OC(C)(C)C ZINC001359267372 1069303273 /nfs/dbraw/zinc/30/32/73/1069303273.db2.gz DYJMABFIOUQDNM-GOSISDBHSA-N 0 0 463.586 4.427 20 30 JIEDRN C=CCN(CC=C)c1nnc(-c2cc(F)ccc2Br)n1CCCc1cnn(C)c1 ZINC001359267709 1069303836 /nfs/dbraw/zinc/30/38/36/1069303836.db2.gz PKHMBTHCBPKQHG-UHFFFAOYSA-N 0 0 459.367 4.391 20 30 JIEDRN C=CCN(CC=C)c1nnc(-c2ccccc2Br)n1CC1(COC)CCOCC1 ZINC001359268847 1069307547 /nfs/dbraw/zinc/30/75/47/1069307547.db2.gz FKTVMTPVGROXQV-UHFFFAOYSA-N 0 0 461.404 4.329 20 30 JIEDRN C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1Cc1sccc1Br ZINC001300641114 1069307555 /nfs/dbraw/zinc/30/75/55/1069307555.db2.gz BVFVRPBILBAJJJ-UHFFFAOYSA-N 0 0 490.402 4.068 20 30 JIEDRN C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(C)o2)n1CC1CCN(C(=O)OC)CC1 ZINC001300641543 1069308693 /nfs/dbraw/zinc/30/86/93/1069308693.db2.gz CCFPVBFFMDXASR-UHFFFAOYSA-N 0 0 465.529 4.104 20 30 JIEDRN C=CCn1c2nnc(SCC(=O)c3cc(C)n(Cc4ccco4)c3C)n2c2ccccc2c1=O ZINC000003283135 194263065 /nfs/dbraw/zinc/26/30/65/194263065.db2.gz HLGSWHJMZJVTSA-UHFFFAOYSA-N 0 0 473.558 4.265 20 30 JIEDRN Cc1ccccc1-n1c2nnc(S[C@@H](C)C(=O)Nc3cccc(C#N)c3)n2c2ccccc2c1=O ZINC000012597706 195043860 /nfs/dbraw/zinc/04/38/60/195043860.db2.gz BYKWCJLBUOSNAG-KRWDZBQOSA-N 0 0 480.553 4.333 20 30 JIEDRN C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCCO[C@H]1C(C)C ZINC001300641787 1069309409 /nfs/dbraw/zinc/30/94/09/1069309409.db2.gz KAPWNULNPJNIGC-URXFXBBRSA-N 0 0 490.583 4.156 20 30 JIEDRN Cc1ccc(S(=O)(=O)[C@H](C#N)c2nc3ccccc3nc2N2CCN(CC(C)C)CC2)cc1C ZINC001164657591 719337351 /nfs/dbraw/zinc/33/73/51/719337351.db2.gz TVMGJLBSYXDKAU-XMMPIXPASA-N 0 0 477.634 4.063 20 30 JIEDRN C=CCN1C(=O)CC[C@]12CCCN(C(F)(F)Cc1nc3c(ncnc3Cl)s1)[C@@H]2CC ZINC001164697146 719825051 /nfs/dbraw/zinc/82/50/51/719825051.db2.gz AAOMUFIWTZPZKP-YJYMSZOUSA-N 0 0 455.962 4.297 20 30 JIEDRN N#Cc1c(Cl)nccc1C(F)(F)N1CCOC[C@@]2(C[C@@H](CNc3cccc(F)c3)CO2)C1 ZINC001164725746 720491253 /nfs/dbraw/zinc/49/12/53/720491253.db2.gz JZQBPHGFELYFAL-YCRPNKLZSA-N 0 0 466.891 4.015 20 30 JIEDRN N#Cc1cnc(Cl)cc1C(F)(F)N1CCOC[C@]2(C[C@@H](CNc3cccc(F)c3)CO2)C1 ZINC001164724358 720492926 /nfs/dbraw/zinc/49/29/26/720492926.db2.gz FHDPZVXIAJWGMY-BTYIYWSLSA-N 0 0 466.891 4.015 20 30 JIEDRN N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CC[C@@H]2[C@@H](CO[C@@H]2CC(=O)N2CCCCC2)C1 ZINC001164834765 720497506 /nfs/dbraw/zinc/49/75/06/720497506.db2.gz UPGVVCOMZPHXNQ-CKEIUWERSA-N 0 0 473.351 4.049 20 30 JIEDRN N#Cc1c(Cl)nc2ccc(C(F)(F)N3CC[C@@H]4O[C@@H](C(=O)N5CCCO5)CC[C@H]43)cc2c1Cl ZINC001164845771 720824034 /nfs/dbraw/zinc/82/40/34/720824034.db2.gz BWAWFRRYJTYMFX-FGTMMUONSA-N 0 0 497.329 4.248 20 30 JIEDRN N#Cc1cccc(-c2cc(C(F)(F)N3CCc4ncc(Cn5cccn5)n4CC3)cnc2Cl)c1 ZINC001164861124 721034737 /nfs/dbraw/zinc/03/47/37/721034737.db2.gz CHKFPGAGPVTTHW-UHFFFAOYSA-N 0 0 479.922 4.323 20 30 JIEDRN N#Cc1ccc(C(F)(F)N2CC[C@]3(C2)CCC[C@H](CNC(=O)c2ccccc2)O3)nc1Cl ZINC001164875000 721254388 /nfs/dbraw/zinc/25/43/88/721254388.db2.gz LFPFNARUCYREEO-GCJKJVERSA-N 0 0 460.912 4.100 20 30 JIEDRN N#Cc1cc(Cl)ncc1C(F)(F)N1CC[C@]2(C1)CCC[C@H](CNC(=O)c1ccccc1)O2 ZINC001164878865 721257905 /nfs/dbraw/zinc/25/79/05/721257905.db2.gz VVLFKRRNMVMGAQ-GCJKJVERSA-N 0 0 460.912 4.100 20 30 JIEDRN Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(c3ccc([C@@H](C#N)c4ccc(C)cc4)nn3)C2)C1 ZINC001164776231 721335711 /nfs/dbraw/zinc/33/57/11/721335711.db2.gz DGTZRGXYKMZWOG-CUBQBAPOSA-N 0 0 486.620 4.164 20 30 JIEDRN CCCc1cc(C#N)c(N2CCC[C@]3(C2)COCCN(Cc2c(C)noc2C)C3)nc1Cl ZINC001164777183 721355165 /nfs/dbraw/zinc/35/51/65/721355165.db2.gz DYKHELZDSCWWQQ-DEOSSOPVSA-N 0 0 458.006 4.283 20 30 JIEDRN C=CCOCc1nn(C)c2c1CN(C(F)(F)Oc1cccc(COc3cncc(Cl)n3)c1)CC2 ZINC001164786841 721447066 /nfs/dbraw/zinc/44/70/66/721447066.db2.gz NWQDFZZNMDNQLY-UHFFFAOYSA-N 0 0 491.926 4.133 20 30 JIEDRN N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CCCC[C@@]12CC(=O)N(Cc1cccnc1)C2 ZINC001164892648 721474110 /nfs/dbraw/zinc/47/41/10/721474110.db2.gz HBIDQGQZGQSKTK-FQEVSTJZSA-N 0 0 466.319 4.362 20 30 JIEDRN N#Cc1ccc(-c2cc(C(F)(F)N3CCC4(C[C@@H](c5ccncc5)C(=O)N4)CC3)c(Cl)nn2)cc1 ZINC001164897930 721505529 /nfs/dbraw/zinc/50/55/29/721505529.db2.gz OTPXGHLFJLGRED-IBGZPJMESA-N 0 0 494.933 4.251 20 30 JIEDRN CN(C)C(=O)CN1CCC2(CCCN2C(F)(F)c2ccc3nc(Cl)c(C#N)c(Cl)c3c2)CC1 ZINC001165012259 721750359 /nfs/dbraw/zinc/75/03/59/721750359.db2.gz DSDRHKUSJDGWQD-UHFFFAOYSA-N 0 0 496.389 4.481 20 30 JIEDRN N#Cc1ccc(-c2cc(C(F)(F)N3C[C@H]4COC[C@@]4(COCc4ccccn4)C3)c(Cl)nn2)cc1 ZINC001164922812 721841072 /nfs/dbraw/zinc/84/10/72/721841072.db2.gz RJMCBZAOPNZFCG-YADARESESA-N 0 0 497.933 4.278 20 30 JIEDRN N#Cc1ccc(C(F)(F)N2CC[C@@]3(C2)COCc2cnc(-c4ccccc4)nc23)nc1Cl ZINC001164934491 721898292 /nfs/dbraw/zinc/89/82/92/721898292.db2.gz QELGETGNTZVJII-JOCHJYFZSA-N 0 0 453.880 4.287 20 30 JIEDRN N#Cc1nc(Cl)ccc1C(F)(F)N1CC[C@]2(C1)COCc1cnc(-c3ccccc3)nc12 ZINC001164928415 721898633 /nfs/dbraw/zinc/89/86/33/721898633.db2.gz NZCQBUFVMRLSEZ-QFIPXVFZSA-N 0 0 453.880 4.287 20 30 JIEDRN CN(C)C(=O)N[C@H]1CCO[C@@]2(CCN(C(F)(F)c3ccc4nc(Cl)c(C#N)c(Cl)c4c3)C2)C1 ZINC001164954858 722011603 /nfs/dbraw/zinc/01/16/03/722011603.db2.gz PHXLGWGENHKIDD-QKKBWIMNSA-N 0 0 498.361 4.357 20 30 JIEDRN Cc1noc(C[C@@H]2C[C@@H]3CN(C(F)(F)c4cnc(Cl)c(-c5ccc(C#N)cc5)c4)C[C@@H]3O2)n1 ZINC001164963512 722043342 /nfs/dbraw/zinc/04/33/42/722043342.db2.gz ROPYLLNYKOHHSB-KPFFTGBYSA-N 0 0 471.895 4.346 20 30 JIEDRN Cc1noc(C[C@@H]2C[C@@H]3CN(C(F)(F)c4cnc(Cl)c(-c5ccc(C#N)cc5)c4)C[C@H]3O2)n1 ZINC001164963511 722043400 /nfs/dbraw/zinc/04/34/00/722043400.db2.gz ROPYLLNYKOHHSB-IMFGXOCKSA-N 0 0 471.895 4.346 20 30 JIEDRN N#Cc1ccc(-c2cc(C(F)(F)N3C[C@H]4CCN(C(=O)c5ccco5)[C@@H]4C3)c(Cl)nn2)cc1 ZINC001164959181 722049310 /nfs/dbraw/zinc/04/93/10/722049310.db2.gz PQTAWDFLTIGLKL-VQIMIIECSA-N 0 0 469.879 4.157 20 30 JIEDRN Cc1cncc(COCc2cnc3n2CCN(C(F)(F)c2cc(C#N)cc(Cl)n2)[C@H]3C)c1 ZINC001164963668 722063243 /nfs/dbraw/zinc/06/32/43/722063243.db2.gz BXYQCCGECMOZRO-HNNXBMFYSA-N 0 0 458.900 4.350 20 30 JIEDRN Cc1cncc(COCc2cnc3n2CCN(C(F)(F)c2cnc(Cl)cc2C#N)[C@H]3C)c1 ZINC001164963177 722063260 /nfs/dbraw/zinc/06/32/60/722063260.db2.gz AYLSWFHTIWCEDA-HNNXBMFYSA-N 0 0 458.900 4.350 20 30 JIEDRN N#Cc1ccc(-c2cc(C(F)(F)N3CC[C@@H]4[C@H]3CCN4C(=O)c3cscn3)c(Cl)nn2)cc1 ZINC001164962846 722066025 /nfs/dbraw/zinc/06/60/25/722066025.db2.gz AHUZAFUEPQQOFV-RTBURBONSA-N 0 0 486.935 4.163 20 30 JIEDRN Cc1nc(CN2CCO[C@@H]3CCN(c4cc(F)c(C#N)cc4-c4ccnc(Cl)n4)CC[C@H]32)cs1 ZINC001164985949 722182651 /nfs/dbraw/zinc/18/26/51/722182651.db2.gz CPDCOZRDRUUGQM-FYYLOGMGSA-N 0 0 499.015 4.443 20 30 JIEDRN CSc1nc(-c2ccccc2)nc(N2CC[C@H]3OCCN(Cc4csc(C)n4)[C@H]3CC2)c1C#N ZINC001164993182 722183891 /nfs/dbraw/zinc/18/38/91/722183891.db2.gz VLXDWIRENPOHPB-FCHUYYIVSA-N 0 0 492.674 4.372 20 30 JIEDRN Cc1nc(CN2CCO[C@H]3CCN(c4ncc(C)cc4C#C[Si](C)(C)C)CC[C@@H]32)cs1 ZINC001164990575 722184476 /nfs/dbraw/zinc/18/44/76/722184476.db2.gz OCDHCPPXFUGUNE-GOTSBHOMSA-N 0 0 454.716 4.254 20 30 JIEDRN CC(=O)NCc1ncn2c1CN(C(F)(F)c1ccc3nc(Cl)c(C#N)c(Cl)c3c1)CCC2 ZINC001164997013 722228810 /nfs/dbraw/zinc/22/88/10/722228810.db2.gz LZPFSJVBQIERLU-UHFFFAOYSA-N 0 0 479.318 4.201 20 30 JIEDRN N#Cc1cccc(N2CCOC[C@@]3(CCCN(C(F)(F)c4ccc([N+](=O)[O-])c(Cl)n4)C3)C2)c1 ZINC001165003199 722258411 /nfs/dbraw/zinc/25/84/11/722258411.db2.gz DBOHOWPIYUXGIG-NRFANRHFSA-N 0 0 477.899 4.183 20 30 JIEDRN N#Cc1cccc(N2CCOC[C@@]3(CCCN(C(F)(F)c4nc(Cl)ccc4C#N)C3)C2)c1 ZINC001165005737 722258693 /nfs/dbraw/zinc/25/86/93/722258693.db2.gz ZMZFSNZEQKHDOM-QFIPXVFZSA-N 0 0 457.912 4.147 20 30 JIEDRN N#Cc1cccc(N2CCOC[C@]3(CCCN(c4nc(Cl)ccc4CN4CCCC4)C3)C2)c1 ZINC001165005716 722258725 /nfs/dbraw/zinc/25/87/25/722258725.db2.gz ZHLPLVAYJMWVLQ-AREMUKBSSA-N 0 0 466.029 4.326 20 30 JIEDRN 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C=CC[C@H](Cn1c(-c2ccc(C)o2)nnc1N1CCC(NS(=O)(=O)CC)CC1)c1ccccc1 ZINC001359193884 1068955152 /nfs/dbraw/zinc/95/51/52/1068955152.db2.gz KXDDKLJEXUBWSL-OAQYLSRUSA-N 0 0 483.638 4.115 20 30 JIEDRN C=CC[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCC(N(C)C(C)=O)CC1)c1ccccc1 ZINC001359194010 1068955171 /nfs/dbraw/zinc/95/51/71/1068955171.db2.gz MSTPJMPVJXQUSJ-VWNXMTODSA-N 0 0 451.615 4.327 20 30 JIEDRN C=CC[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CCC(N(C)C(C)=O)CC1)c1ccccc1 ZINC001359194007 1068955264 /nfs/dbraw/zinc/95/52/64/1068955264.db2.gz MSTPJMPVJXQUSJ-ISKFKSNPSA-N 0 0 451.615 4.327 20 30 JIEDRN C=CC[C@H](Cn1c(-c2cccnc2)nnc1N1CCC[C@@H](NC(=O)OCC)C1)c1ccccc1 ZINC001359194035 1068955668 /nfs/dbraw/zinc/95/56/68/1068955668.db2.gz NGLFDKDVPZQRBE-DHIUTWEWSA-N 0 0 460.582 4.415 20 30 JIEDRN C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H](C)Oc1cccc(C)c1 ZINC001300535889 1068955652 /nfs/dbraw/zinc/95/56/52/1068955652.db2.gz QBBLVTTWDCHFMM-XZOQPEGZSA-N 0 0 491.636 4.241 20 30 JIEDRN C=CC[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](C(C)C)C1)c1ccccc1 ZINC001359194328 1068956218 /nfs/dbraw/zinc/95/62/18/1068956218.db2.gz SZXCVJUEQIRUMR-FGZHOGPDSA-N 0 0 460.582 4.147 20 30 JIEDRN C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1ccc(CSC)cc1 ZINC001300536598 1068957879 /nfs/dbraw/zinc/95/78/79/1068957879.db2.gz ZCKIXGMEACWGGT-QHCPKHFHSA-N 0 0 493.677 4.377 20 30 JIEDRN C=CCCCCCN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001359196350 1068964874 /nfs/dbraw/zinc/96/48/74/1068964874.db2.gz DJLYHAOBTUZBKU-UXHICEINSA-N 0 0 474.650 4.059 20 30 JIEDRN C=CCCCCCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1CC(F)(F)Br ZINC001359196475 1068965458 /nfs/dbraw/zinc/96/54/58/1068965458.db2.gz JCOLDYCARZYWOB-UHFFFAOYSA-N 0 0 495.372 4.362 20 30 JIEDRN C=CCCCCn1c(C(=O)NC(C)C)nnc1N(C)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001359197282 1068968384 /nfs/dbraw/zinc/96/83/84/1068968384.db2.gz JYQBFKCUCJHRLJ-YOFSQIOKSA-N 0 0 474.650 4.139 20 30 JIEDRN C=CCCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 ZINC001359198101 1068972156 /nfs/dbraw/zinc/97/21/56/1068972156.db2.gz IANTWQVKSGEPOY-OAQYLSRUSA-N 0 0 461.614 4.433 20 30 JIEDRN C=CCCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC001359199598 1068976173 /nfs/dbraw/zinc/97/61/73/1068976173.db2.gz BIHIHODMMAEREX-UZUQRXQVSA-N 0 0 491.430 4.457 20 30 JIEDRN C=CCCCCn1c(-c2ccccc2Br)nnc1N1CCN(C(=O)c2ccccn2)CC1 ZINC001359200739 1068978200 /nfs/dbraw/zinc/97/82/00/1068978200.db2.gz PGVXOBWKEWWDJW-UHFFFAOYSA-N 0 0 495.425 4.421 20 30 JIEDRN C=CCCCCn1c(-c2ccccc2F)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001359200836 1068978881 /nfs/dbraw/zinc/97/88/81/1068978881.db2.gz SJKJHCOZCOZQAV-SFHVURJKSA-N 0 0 459.566 4.170 20 30 JIEDRN C=CCCCCn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC001359202880 1068979845 /nfs/dbraw/zinc/97/98/45/1068979845.db2.gz DMDXOYGXAXOIIY-AZUAARDMSA-N 0 0 461.404 4.479 20 30 JIEDRN C=CCCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001359202887 1068980487 /nfs/dbraw/zinc/98/04/87/1068980487.db2.gz DOHGXQRIVHDQSV-KNKQGSTJSA-N 0 0 483.613 4.496 20 30 JIEDRN C=CCCCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)N(CC)CC)CC1 ZINC001359204006 1068981643 /nfs/dbraw/zinc/98/16/43/1068981643.db2.gz ANQDGNNIKCWNLE-UHFFFAOYSA-N 0 0 460.573 4.087 20 30 JIEDRN C=CCCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 ZINC001359204095 1068981665 /nfs/dbraw/zinc/98/16/65/1068981665.db2.gz DDXAKNXGBOBBFS-XMMPIXPASA-N 0 0 455.006 4.364 20 30 JIEDRN C=CCCCCn1c(Cc2ccccn2)nnc1N1CCC(NC(=O)Nc2ccccc2)CC1 ZINC001359204881 1068982230 /nfs/dbraw/zinc/98/22/30/1068982230.db2.gz FBISPEAYFGURSC-UHFFFAOYSA-N 0 0 459.598 4.411 20 30 JIEDRN C=CCCCCn1c(Cc2ccsc2)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC001359205028 1068982412 /nfs/dbraw/zinc/98/24/12/1068982412.db2.gz JJYSHNXYAQSEQR-UHFFFAOYSA-N 0 0 485.679 4.188 20 30 JIEDRN C=CCCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 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/nfs/dbraw/zinc/99/21/80/1068992180.db2.gz IFRPBQRRNDJIKV-UHFFFAOYSA-N 0 0 476.463 4.468 20 30 JIEDRN C#CCN(CC#C)c1nnc(COc2ccc(Cl)cc2Cl)n1CC[C@H](OC)C(F)(F)F ZINC001300548591 1068992429 /nfs/dbraw/zinc/99/24/29/1068992429.db2.gz LTJOPNCRMSMQSK-KRWDZBQOSA-N 0 0 475.298 4.204 20 30 JIEDRN C#CCN(CC#C)c1nnc(COc2ccccc2CC)n1Cc1ccc(N2CCC(C)CC2)nc1 ZINC001300548898 1068993511 /nfs/dbraw/zinc/99/35/11/1068993511.db2.gz SHBDSNMIUYTUCA-UHFFFAOYSA-N 0 0 482.632 4.172 20 30 JIEDRN C=CCCCn1c(-c2ccc(Br)cc2)nnc1N1CCCN(Cc2noc(C)n2)CC1 ZINC001359210597 1068993858 /nfs/dbraw/zinc/99/38/58/1068993858.db2.gz ZOTOMZIOZVFUKZ-UHFFFAOYSA-N 0 0 486.418 4.078 20 30 JIEDRN C=CCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)Cc1cn(C)nc1C(F)(F)F ZINC001359211572 1068996306 /nfs/dbraw/zinc/99/63/06/1068996306.db2.gz IBKHLEYPEMNFET-UHFFFAOYSA-N 0 0 462.476 4.071 20 30 JIEDRN C=CCCCn1c(-c2ccccc2Br)nnc1N1CCC(Cn2ccnn2)CC1 ZINC001359212314 1068997802 /nfs/dbraw/zinc/99/78/02/1068997802.db2.gz HYTJVEKYXMOHLJ-UHFFFAOYSA-N 0 0 456.392 4.182 20 30 JIEDRN C=CCCCn1c(-c2nn(CC)c(=O)c3ccccc32)nnc1N1CCC[C@H](C(F)(F)F)C1 ZINC001359213811 1068998327 /nfs/dbraw/zinc/99/83/27/1068998327.db2.gz HXOMBLPTLMDTOI-INIZCTEOSA-N 0 0 460.504 4.420 20 30 JIEDRN C=CCCCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N(C)[C@H]1CC[C@H](SCC)C1 ZINC001359213980 1068998397 /nfs/dbraw/zinc/99/83/97/1068998397.db2.gz OCBBJJYWHMMRTF-ROUUACIJSA-N 0 0 452.628 4.269 20 30 JIEDRN C=CCCCn1c(-c2noc3c2COCC3)nnc1N(C)CCc1ccc(Br)cc1 ZINC001359214254 1068999103 /nfs/dbraw/zinc/99/91/03/1068999103.db2.gz WNONOSFQRPJUHB-UHFFFAOYSA-N 0 0 472.387 4.413 20 30 JIEDRN C=CCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](C(=O)N[C@H](C)CCC)C1 ZINC001359216330 1068999944 /nfs/dbraw/zinc/99/99/44/1068999944.db2.gz UPQCXNXLGVPCGL-VIZSFHNOSA-N 0 0 467.614 4.278 20 30 JIEDRN C=CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)[C@H]1C[C@H](OCC)C1(C)C ZINC001359216600 1069000077 /nfs/dbraw/zinc/00/00/77/1069000077.db2.gz YUIQYEKDHSRFNU-SFTDATJTSA-N 0 0 453.635 4.058 20 30 JIEDRN C=CCCCn1c([C@@H]2CCCOC2)nnc1N1CCC(NC(=O)Nc2ccc(F)cc2)CC1 ZINC001359215668 1069000137 /nfs/dbraw/zinc/00/01/37/1069000137.db2.gz HDBYZVDHFPNEPF-GOSISDBHSA-N 0 0 456.566 4.068 20 30 JIEDRN C=CCCCn1c(CCc2ccc(OC)cc2)nnc1N1CCN(c2nc(C)cs2)CC1 ZINC001359218415 1069003642 /nfs/dbraw/zinc/00/36/42/1069003642.db2.gz IZDIWOVFOWONHO-UHFFFAOYSA-N 0 0 452.628 4.130 20 30 JIEDRN C=CCCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001359218558 1069003830 /nfs/dbraw/zinc/00/38/30/1069003830.db2.gz MZQLXDFNCRHVTI-IBGZPJMESA-N 0 0 450.587 4.420 20 30 JIEDRN C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCc1ccc(Cl)s1 ZINC001300553580 1069006127 /nfs/dbraw/zinc/00/61/27/1069006127.db2.gz KZCIGYLRZMCKAE-CALCHBBNSA-N 0 0 474.030 4.079 20 30 JIEDRN C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCc1c[nH]c2ccccc12 ZINC001300553456 1069006156 /nfs/dbraw/zinc/00/61/56/1069006156.db2.gz IXWMEGIDOQLADG-SZPZYZBQSA-N 0 0 486.620 4.236 20 30 JIEDRN C=CCCCn1c(N2CCC(n3ccc(C(F)(F)F)n3)CC2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001359220709 1069008670 /nfs/dbraw/zinc/00/86/70/1069008670.db2.gz GYCTXLJKMAHSHT-QFIPXVFZSA-N 0 0 482.551 4.342 20 30 JIEDRN C=CCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@](C)(N2CCOCC2)C1 ZINC001359221256 1069009762 /nfs/dbraw/zinc/00/97/62/1069009762.db2.gz WDZHZKFDEREFHW-QHCPKHFHSA-N 0 0 462.063 4.491 20 30 JIEDRN C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCC(c2nc3ccccc3s2)CC1 ZINC001359221891 1069010489 /nfs/dbraw/zinc/01/04/89/1069010489.db2.gz QYDSLXYDFRENMC-UHFFFAOYSA-N 0 0 468.627 4.003 20 30 JIEDRN C=CCCOCCn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 ZINC001359223140 1069013544 /nfs/dbraw/zinc/01/35/44/1069013544.db2.gz BRRLEOIZNFKBQO-UHFFFAOYSA-N 0 0 455.603 4.058 20 30 JIEDRN C=CCCOCCn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@H](c2nc(C)no2)C1 ZINC001359223722 1069014496 /nfs/dbraw/zinc/01/44/96/1069014496.db2.gz UOOLYVYVIAMQEL-SFHVURJKSA-N 0 0 487.402 4.376 20 30 JIEDRN C=CCCOCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 ZINC001359224368 1069016359 /nfs/dbraw/zinc/01/63/59/1069016359.db2.gz OOHGPSFNJXLCTO-IBGZPJMESA-N 0 0 491.423 4.255 20 30 JIEDRN C=CCCOCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001359224563 1069016986 /nfs/dbraw/zinc/01/69/86/1069016986.db2.gz WAHXEHCDGNIOGV-GOSISDBHSA-N 0 0 491.036 4.327 20 30 JIEDRN C#CCN(CC#CC)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@]1(C)CCO[C@@H]1C1CC1 ZINC001300557420 1069017100 /nfs/dbraw/zinc/01/71/00/1069017100.db2.gz SWTDFOHRJIZDMC-CNPGNWEMSA-N 0 0 450.558 4.225 20 30 JIEDRN C=CCCOCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 ZINC001359224503 1069017145 /nfs/dbraw/zinc/01/71/45/1069017145.db2.gz UINIYRVUPYWYEQ-GOSISDBHSA-N 0 0 456.978 4.342 20 30 JIEDRN C=CCCOCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@H]2CCC[C@@H](C1)C2O ZINC001359224638 1069017582 /nfs/dbraw/zinc/01/75/82/1069017582.db2.gz YAPOUVCLCBDGAV-NYTJIUQPSA-N 0 0 451.398 4.442 20 30 JIEDRN C=CCCOCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 ZINC001359224670 1069017657 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/nfs/dbraw/zinc/33/47/56/1067334756.db2.gz OALIBZKCEFMKND-UHFFFAOYSA-N 0 0 458.536 4.423 20 30 JIEDRN C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1Cc1ccc(NC(C)=O)nc1 ZINC001300786096 1067348187 /nfs/dbraw/zinc/34/81/87/1067348187.db2.gz CSAKCPHNRHJERZ-CRICUBBOSA-N 0 0 478.984 4.465 20 30 JIEDRN C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1Cc1c(C)sc(C)c1Br ZINC001300786688 1067349243 /nfs/dbraw/zinc/34/92/43/1067349243.db2.gz HHNWKBDJIDORPI-YADHBBJMSA-N 0 0 493.471 4.411 20 30 JIEDRN C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(Cl)c(OC)c1 ZINC001300787658 1067352000 /nfs/dbraw/zinc/35/20/00/1067352000.db2.gz NANPJKLFMRXZPC-RPWUZVMVSA-N 0 0 458.990 4.021 20 30 JIEDRN CCOC(=O)c1c(NC(=O)c2ccc(Oc3ccc(F)cc3)cc2)c(C#N)cn1CCOC ZINC001355037676 1067353780 /nfs/dbraw/zinc/35/37/80/1067353780.db2.gz QUFJUDVPMSPYMB-UHFFFAOYSA-N 0 0 451.454 4.367 20 30 JIEDRN C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Br)c2)n1C[C@H]1CC(F)(F)CO1 ZINC001300789089 1067356304 /nfs/dbraw/zinc/35/63/04/1067356304.db2.gz XKIJXBRBRHIHLW-VQIMIIECSA-N 0 0 451.315 4.124 20 30 JIEDRN C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)ccc2Br)n1C[C@H]1CCSC1 ZINC001300789583 1067358201 /nfs/dbraw/zinc/35/82/01/1067358201.db2.gz QFGSMGBBGNFDBE-QVKFZJNVSA-N 0 0 461.429 4.461 20 30 JIEDRN O=C(Nc1cccc(C#Cc2ccccc2)c1)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 ZINC001352382375 1067366364 /nfs/dbraw/zinc/36/63/64/1067366364.db2.gz TYYGDJLKGFKWNO-VWLOTQADSA-N 0 0 458.583 4.267 20 30 JIEDRN COc1cccc(C(C)(C)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCCCN3C)c2)c1 ZINC001355061214 1067367106 /nfs/dbraw/zinc/36/71/06/1067367106.db2.gz NOPKKVKHJMJZIV-XTCLZLMSSA-N 0 0 457.596 4.205 20 30 JIEDRN CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)Cc2ccc3cccnc3c2)c1 ZINC001355062279 1067367548 /nfs/dbraw/zinc/36/75/48/1067367548.db2.gz VTSYTOLOACASJP-SLEBQGDGSA-N 0 0 450.564 4.009 20 30 JIEDRN C/C(=C\c1ccc(Br)o1)C(=O)N1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC001352388712 1067369173 /nfs/dbraw/zinc/36/91/73/1067369173.db2.gz RFHCLSAAUJNDQR-NTCAYCPXSA-N 0 0 451.324 4.214 20 30 JIEDRN CCOC(=O)c1cnn(-c2cccc(NC(=O)c3cccc(C#N)c3Br)c2)c1C ZINC001355086187 1067371868 /nfs/dbraw/zinc/37/18/68/1067371868.db2.gz LFXSSHMYZUPYND-UHFFFAOYSA-N 0 0 453.296 4.244 20 30 JIEDRN C#Cc1cccc(NC(=O)CN(C)C(=O)c2ccc(Br)c(OC(F)(F)F)c2)c1 ZINC001355123146 1067376824 /nfs/dbraw/zinc/37/68/24/1067376824.db2.gz CLSGPQRPJNTRQQ-UHFFFAOYSA-N 0 0 455.230 4.040 20 30 JIEDRN COc1ccc(-c2nnc(N(CCC#N)CC3CC3)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)cc1 ZINC001300016941 1067377385 /nfs/dbraw/zinc/37/73/85/1067377385.db2.gz KEQUJRIXDQXBDC-GOSISDBHSA-N 0 0 468.602 4.339 20 30 JIEDRN COc1ccc([C@@H]2[C@@H](C(=O)Nc3cccc(OCc4cccc(C#N)c4)c3)CC(=O)N2C)cc1 ZINC001355137287 1067378712 /nfs/dbraw/zinc/37/87/12/1067378712.db2.gz QPXPMRVDSYCLSW-AZGAKELHSA-N 0 0 455.514 4.304 20 30 JIEDRN C#Cc1cccc(N(Cc2ccco2)C(=O)[C@H](NC(C)=O)c2cccc(Br)c2)c1 ZINC001352429167 1067387017 /nfs/dbraw/zinc/38/70/17/1067387017.db2.gz HTQAKVPDVROPCL-JOCHJYFZSA-N 0 0 451.320 4.434 20 30 JIEDRN COc1ccc(-c2nnc(N3C[C@@H](C)OC(C)(C)C3)n2Cc2ccc(C#N)o2)cc1Br ZINC001300022794 1067389877 /nfs/dbraw/zinc/38/98/77/1067389877.db2.gz FJMXMXYPQPZOEK-CQSZACIVSA-N 0 0 486.370 4.233 20 30 JIEDRN N#Cc1cc(Br)ccc1CC(=O)N1C[C@@H](CCN2CCCC2=O)c2ccccc21 ZINC001355250949 1067396083 /nfs/dbraw/zinc/39/60/83/1067396083.db2.gz CMCIHDKUJOUCEJ-QGZVFWFLSA-N 0 0 452.352 4.006 20 30 JIEDRN COc1ccc(-c2nnc(N3CCC(CC#N)CC3)n2Cc2ccc(Cl)nc2)c(OC)c1 ZINC001300038555 1067451739 /nfs/dbraw/zinc/45/17/39/1067451739.db2.gz QSQISGHIQPDEKJ-UHFFFAOYSA-N 0 0 452.946 4.189 20 30 JIEDRN CN(Cc1csc(Br)c1)C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 ZINC001355416576 1067457398 /nfs/dbraw/zinc/45/73/98/1067457398.db2.gz DHADYEKIKLSTFX-CYBMUJFWSA-N 0 0 452.761 4.047 20 30 JIEDRN COc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CC[C@H]2CCO[C@H](C)C2)cc1Br ZINC001300040869 1067465643 /nfs/dbraw/zinc/46/56/43/1067465643.db2.gz FQIKSBBUGMSIHZ-VVBPWWLESA-N 0 0 492.393 4.363 20 30 JIEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)c2c(C)cc(Br)cc2Cl)cc1 ZINC001355493819 1067488899 /nfs/dbraw/zinc/48/88/99/1067488899.db2.gz PMOXUDKECKSFOE-UHFFFAOYSA-N 0 0 457.777 4.470 20 30 JIEDRN N#Cc1ccc(N2C[C@H](C(=O)Nc3ccccc3OC[C@@H]3CCCCO3)CC2=O)cc1Cl ZINC001355562940 1067511274 /nfs/dbraw/zinc/51/12/74/1067511274.db2.gz HBSKDJVIFRGNKS-MJGOQNOKSA-N 0 0 453.926 4.151 20 30 JIEDRN Cc1ccccc1Cc1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C ZINC001492582291 1067524299 /nfs/dbraw/zinc/52/42/99/1067524299.db2.gz CFZJYVYRKOPMMF-BVZFJXPGSA-N 0 0 470.593 4.122 20 30 JIEDRN CCOC(=O)c1cnn(C2CCN(C(=O)Nc3cccc(C#Cc4ccccn4)c3)CC2)c1C ZINC001200081079 1067562044 /nfs/dbraw/zinc/56/20/44/1067562044.db2.gz UKKLRPUPFWRRLO-UHFFFAOYSA-N 0 0 457.534 4.032 20 30 JIEDRN Cc1cc(C(=O)Nc2ccc(S(=O)(=O)c3ccc(Br)cc3)cc2)ncc1C#N ZINC001355731113 1067566398 /nfs/dbraw/zinc/56/63/98/1067566398.db2.gz ACEGIZSACIILLR-UHFFFAOYSA-N 0 0 456.321 4.109 20 30 JIEDRN CC(C)=CCOc1cccc(CC(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)c1 ZINC001355744072 1067570552 /nfs/dbraw/zinc/57/05/52/1067570552.db2.gz ILOUXFLPNQXMIW-WNAAXNPUSA-N 0 0 455.580 4.026 20 30 JIEDRN COc1cc(C#N)cc(Br)c1OC(=O)[C@@H](C)Oc1cccc(Br)c1 ZINC001355752228 1067572973 /nfs/dbraw/zinc/57/29/73/1067572973.db2.gz RUIDZJHNIVOUMH-SNVBAGLBSA-N 0 0 455.102 4.465 20 30 JIEDRN COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCC(C)(C)C2CC2)cc1Br ZINC001300076890 1067604926 /nfs/dbraw/zinc/60/49/26/1067604926.db2.gz ITTIEEKSHUAQIU-KRWDZBQOSA-N 0 0 474.403 4.271 20 30 JIEDRN N#Cc1cnn(-c2ccccc2)c1NC(=O)CSc1nnc(Nc2cccc(F)c2)s1 ZINC000506654118 1067610178 /nfs/dbraw/zinc/61/01/78/1067610178.db2.gz NFWMOOVNTMQTJT-UHFFFAOYSA-N 0 0 451.512 4.209 20 30 JIEDRN Cc1c(C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCCCN3C)c2)cnn1CCC(C)C ZINC001355959162 1067618355 /nfs/dbraw/zinc/61/83/55/1067618355.db2.gz AJSZRUPKHLIEMW-XTCLZLMSSA-N 0 0 459.616 4.083 20 30 JIEDRN COc1ccc([C@@H](C)CC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCCCN3C)c2)cc1 ZINC001355959522 1067618368 /nfs/dbraw/zinc/61/83/68/1067618368.db2.gz GJUJNMFMAHNISK-RHMMOSFISA-N 0 0 457.596 4.421 20 30 JIEDRN CCS(=O)(=O)c1ccccc1CC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC001356068936 1067650223 /nfs/dbraw/zinc/65/02/23/1067650223.db2.gz XDKHGTNNUWHFCQ-UHFFFAOYSA-N 0 0 450.535 4.262 20 30 JIEDRN CCOc1cc(Br)c(CC(=O)Nc2ccc(F)cc2OCC#N)cc1OCC ZINC001356163570 1067678899 /nfs/dbraw/zinc/67/88/99/1067678899.db2.gz NVYIGHJICQHVJV-UHFFFAOYSA-N 0 0 451.292 4.469 20 30 JIEDRN CN(C(=O)Cc1ccc(NC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)cc1)c1ccccc1 ZINC001356180060 1067682686 /nfs/dbraw/zinc/68/26/86/1067682686.db2.gz SGYCMTWLZAKGMK-OAQYLSRUSA-N 0 0 456.521 4.368 20 30 JIEDRN COc1ccc(C[C@@H](C)Cn2c(N3CCN(c4ccc(C#N)cn4)CC3)nnc2C(C)(C)C)cc1 ZINC001300107579 1067700490 /nfs/dbraw/zinc/70/04/90/1067700490.db2.gz IMXBICKGDUVSRB-HXUWFJFHSA-N 0 0 473.625 4.056 20 30 JIEDRN Cn1cc([C@H]2[C@@H](C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)CC(=O)N2C(C)(C)C)cn1 ZINC001356261877 1067709491 /nfs/dbraw/zinc/70/94/91/1067709491.db2.gz LUNHZFQDRCDLLP-UPVQGACJSA-N 0 0 457.534 4.411 20 30 JIEDRN CC(C)c1cccc(O[C@@H](C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)c2ccccc2)c1 ZINC001356278693 1067715418 /nfs/dbraw/zinc/71/54/18/1067715418.db2.gz SFEVYSMFEJKOMX-NBGIEHNGSA-N 0 0 455.562 4.329 20 30 JIEDRN C=CCc1cc(CNC(=O)c2cc(Br)c(OC)c(OC)c2)cc(OC)c1OC ZINC001356305798 1067720420 /nfs/dbraw/zinc/72/04/20/1067720420.db2.gz ZXTJEVUZSZDQOX-UHFFFAOYSA-N 0 0 450.329 4.142 20 30 JIEDRN CCCn1ncc(C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCCCN3C)cc2)c1C1CC1 ZINC001356318672 1067722784 /nfs/dbraw/zinc/72/27/84/1067722784.db2.gz LSOQJCAMCTZBPB-YYADALCUSA-N 0 0 457.600 4.016 20 30 JIEDRN C[C@@H](C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)S(=O)(=O)c1ccc(F)cc1 ZINC001356319836 1067723435 /nfs/dbraw/zinc/72/34/35/1067723435.db2.gz VINWKTQZYVLEQF-KRWDZBQOSA-N 0 0 452.507 4.272 20 30 JIEDRN CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)Cc2ccc(F)c(Cl)c2)cc1 ZINC001356319588 1067723466 /nfs/dbraw/zinc/72/34/66/1067723466.db2.gz QOFUTOSKAYZMGX-QQTULTPQSA-N 0 0 451.951 4.253 20 30 JIEDRN Cc1ccc(OCCC(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCCCN3C)cc2)cc1C ZINC001356320508 1067723842 /nfs/dbraw/zinc/72/38/42/1067723842.db2.gz YWKMCESCOGBSST-WNAAXNPUSA-N 0 0 457.596 4.304 20 30 JIEDRN Cc1ccc(OCCC(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCCCN3C)cc2)cc1C ZINC001356320507 1067724070 /nfs/dbraw/zinc/72/40/70/1067724070.db2.gz YWKMCESCOGBSST-RWEWTDSWSA-N 0 0 457.596 4.304 20 30 JIEDRN COC(=O)c1nc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)cs1 ZINC001356326656 1067724893 /nfs/dbraw/zinc/72/48/93/1067724893.db2.gz INTDDEOSTBVYRL-UHFFFAOYSA-N 0 0 452.439 4.120 20 30 JIEDRN COc1ccc(CCc2nnc(N3CCC(CC#N)CC3)n2CC[C@H](OC)C(F)(F)F)cc1 ZINC001300118814 1067731836 /nfs/dbraw/zinc/73/18/36/1067731836.db2.gz IOZBUEHWIJJJSG-FQEVSTJZSA-N 0 0 465.520 4.169 20 30 JIEDRN O=C(c1ccc(C#Cc2ccccc2)cc1)N1CCNC(=O)[C@H]1c1cccc(Br)c1 ZINC001356367232 1067737055 /nfs/dbraw/zinc/73/70/55/1067737055.db2.gz LKEJCOIELBZRKN-HSZRJFAPSA-N 0 0 459.343 4.162 20 30 JIEDRN COc1ccc(CCc2nnc(N3CCC[C@](C)(C#N)C3)n2CCCN(C)C(=O)OC(C)(C)C)cc1 ZINC001300121592 1067739898 /nfs/dbraw/zinc/73/98/98/1067739898.db2.gz PMHWGQDHUWGSMN-HHHXNRCGSA-N 0 0 496.656 4.459 20 30 JIEDRN CCOC(=O)c1c(NC(=O)c2ccc(-c3ccccc3OC)s2)c(C#N)cn1CCOC ZINC001356402583 1067744745 /nfs/dbraw/zinc/74/47/45/1067744745.db2.gz WVMNBTRMCUJNLV-UHFFFAOYSA-N 0 0 453.520 4.172 20 30 JIEDRN COC(=O)CCOc1ccc(NC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)cc1 ZINC001356434867 1067750583 /nfs/dbraw/zinc/75/05/83/1067750583.db2.gz ZSUUXQPZYDNHBD-UHFFFAOYSA-N 0 0 455.942 4.399 20 30 JIEDRN C#CCN(CC1CC1)C(=O)Cn1nc(C)c2c1nc(-c1ccccc1OC)cc2C(F)(F)F ZINC001356529082 1067771635 /nfs/dbraw/zinc/77/16/35/1067771635.db2.gz HPPCESAGLKEJQM-UHFFFAOYSA-N 0 0 456.468 4.306 20 30 JIEDRN N#Cc1ccc(Oc2cccc(NC(=O)N[C@@H](Cc3ccccc3)CN3CCOCC3)c2)cc1 ZINC001200153633 1067774004 /nfs/dbraw/zinc/77/40/04/1067774004.db2.gz FVRDVLLVWYEYJY-DEOSSOPVSA-N 0 0 456.546 4.416 20 30 JIEDRN N#Cc1ccc(CN(CC(F)(F)F)C(=O)c2cn(-c3cccc(C(F)(F)F)c3)nn2)cc1 ZINC001356573127 1067781144 /nfs/dbraw/zinc/78/11/44/1067781144.db2.gz MTKNYCFNQXLASG-UHFFFAOYSA-N 0 0 453.346 4.362 20 30 JIEDRN COc1ccc(CCn2c(-c3ccc(C)o3)nnc2N2CC[C@](F)(C#N)C2)c(Cl)c1OC ZINC001300143133 1067795816 /nfs/dbraw/zinc/79/58/16/1067795816.db2.gz YRKWVTSABAGQES-QFIPXVFZSA-N 0 0 459.909 4.202 20 30 JIEDRN CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 ZINC000480101305 1067802415 /nfs/dbraw/zinc/80/24/15/1067802415.db2.gz UALQNMSSGQHYIL-UHFFFAOYSA-N 0 0 480.619 4.458 20 30 JIEDRN COc1ccc(CCn2c(Cc3csc(C)n3)nnc2N2CCC[C@](C)(C#N)C2)cc1F ZINC001300152054 1067808665 /nfs/dbraw/zinc/80/86/65/1067808665.db2.gz NOABJPSBLSQPPM-HSZRJFAPSA-N 0 0 454.575 4.154 20 30 JIEDRN CO[C@H]1CN(C(=O)OC(C)(C)C)[C@@](C)(C(=O)Nc2ccc(Oc3ccc(C#N)cn3)cc2)C1 ZINC001357165340 1067813055 /nfs/dbraw/zinc/81/30/55/1067813055.db2.gz HFLIZPDUQMPJNO-NTKDMRAZSA-N 0 0 452.511 4.099 20 30 JIEDRN CO[C@H]1CN(C(=O)OC(C)(C)C)[C@](C)(C(=O)Nc2ccc(Oc3ccc(C#N)cn3)cc2)C1 ZINC001357165336 1067813148 /nfs/dbraw/zinc/81/31/48/1067813148.db2.gz HFLIZPDUQMPJNO-DVECYGJZSA-N 0 0 452.511 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WIMUGENAGAATOI-OAQYLSRUSA-N 0 0 455.603 4.113 20 30 JIEDRN C=C(C)COCCn1c([C@H]2CCCCO2)nnc1N1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC001359132940 1068843150 /nfs/dbraw/zinc/84/31/50/1068843150.db2.gz IKZYJLMZXRTLDW-JOCHJYFZSA-N 0 0 488.032 4.118 20 30 JIEDRN C=C(C)COCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 ZINC001359134208 1068844165 /nfs/dbraw/zinc/84/41/65/1068844165.db2.gz NWUSJQMPRQYWSW-QFIPXVFZSA-N 0 0 455.006 4.461 20 30 JIEDRN C=C(C)COCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCCN(c2nccs2)CC1 ZINC001359134360 1068844275 /nfs/dbraw/zinc/84/42/75/1068844275.db2.gz SZEVYWXBICOGMP-UHFFFAOYSA-N 0 0 473.046 4.288 20 30 JIEDRN C=C(C)COCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 ZINC001359134207 1068844311 /nfs/dbraw/zinc/84/43/11/1068844311.db2.gz NWUSJQMPRQYWSW-JOCHJYFZSA-N 0 0 455.006 4.461 20 30 JIEDRN C=C(C)COCCn1c(Cc2ccccn2)nnc1N1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 ZINC001359135327 1068845055 /nfs/dbraw/zinc/84/50/55/1068845055.db2.gz ZSMBMEDIGCRAIK-FQEVSTJZSA-N 0 0 482.654 4.189 20 30 JIEDRN C=C(C)COCCn1c(Cn2ccc3ccccc32)nnc1N1CCCN(C(=O)OCC(C)C)CC1 ZINC001359135422 1068845478 /nfs/dbraw/zinc/84/54/78/1068845478.db2.gz CNNMGJOTMVBLMM-UHFFFAOYSA-N 0 0 494.640 4.179 20 30 JIEDRN C=C(C)COCCn1c(COc2ccc(C)cc2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC001359136469 1068846247 /nfs/dbraw/zinc/84/62/47/1068846247.db2.gz JQTSESNRRXGMBX-QHCPKHFHSA-N 0 0 482.547 4.288 20 30 JIEDRN C=C(Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(C(=O)N(C)CCCC)CC1)c1ccccc1 ZINC001359139669 1068849375 /nfs/dbraw/zinc/84/93/75/1068849375.db2.gz ALVJFJHXBMYFLF-UHFFFAOYSA-N 0 0 489.668 4.328 20 30 JIEDRN C=C(Cn1c(Cc2ccncc2)nnc1N1CCC[C@@H](CNC(=O)CCC)C1)c1ccccc1 ZINC001359139973 1068849732 /nfs/dbraw/zinc/84/97/32/1068849732.db2.gz KDDDPHBJUVCRPM-QHCPKHFHSA-N 0 0 458.610 4.110 20 30 JIEDRN C=C(Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)CCn1cccn1)c1ccccc1 ZINC001359141043 1068850773 /nfs/dbraw/zinc/85/07/73/1068850773.db2.gz VFQBOOIWCWMBFE-SZPZYZBQSA-N 0 0 477.613 4.095 20 30 JIEDRN C=C(Cl)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001359142008 1068851558 /nfs/dbraw/zinc/85/15/58/1068851558.db2.gz YLYROQFNXDIZRZ-GOSISDBHSA-N 0 0 474.993 4.003 20 30 JIEDRN C=C(Cl)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 ZINC001359143192 1068852952 /nfs/dbraw/zinc/85/29/52/1068852952.db2.gz WBUGSTJWZAXXFV-GHTZIAJQSA-N 0 0 474.968 4.028 20 30 JIEDRN C=C(Cl)Cn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CC[C@@]2(CCC(=O)N2)C1 ZINC001359143140 1068853014 /nfs/dbraw/zinc/85/30/14/1068853014.db2.gz VIDILRTYNDXJKJ-AOMKIAJQSA-N 0 0 464.397 4.300 20 30 JIEDRN C=C(Cl)Cn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCC(N(C)C(C)=O)CC1 ZINC001359143207 1068853383 /nfs/dbraw/zinc/85/33/83/1068853383.db2.gz WOVCGANALBKEAX-QGZVFWFLSA-N 0 0 461.994 4.016 20 30 JIEDRN C=C(Cl)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 ZINC001359143249 1068853444 /nfs/dbraw/zinc/85/34/44/1068853444.db2.gz XBDQBOSYWCRDOK-QYWGDWMGSA-N 0 0 453.370 4.208 20 30 JIEDRN C=C(Cl)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)Cc1cc(F)cc(F)c1 ZINC001359144109 1068854790 /nfs/dbraw/zinc/85/47/90/1068854790.db2.gz XHFSXTICGJTDBT-UHFFFAOYSA-N 0 0 480.972 4.214 20 30 JIEDRN C=C(Cl)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 ZINC001359144217 1068855187 /nfs/dbraw/zinc/85/51/87/1068855187.db2.gz BOLNDIWFTYLJSP-LJQANCHMSA-N 0 0 456.978 4.370 20 30 JIEDRN C=C(Cl)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@H](C(=O)N[C@H](C)CCC)C1 ZINC001359144516 1068855971 /nfs/dbraw/zinc/85/59/71/1068855971.db2.gz LFNLQKANKOHUFY-MSOLQXFVSA-N 0 0 476.021 4.236 20 30 JIEDRN C=C(Cl)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@H](C(=O)N[C@@H](C)CCC)C1 ZINC001359144518 1068855998 /nfs/dbraw/zinc/85/59/98/1068855998.db2.gz LFNLQKANKOHUFY-ROUUACIJSA-N 0 0 476.021 4.236 20 30 JIEDRN C=C(Cl)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN([C@@H](C)c2nccs2)CC1 ZINC001359144906 1068856333 /nfs/dbraw/zinc/85/63/33/1068856333.db2.gz YIVVSLUDTIMWSB-INIZCTEOSA-N 0 0 475.018 4.055 20 30 JIEDRN C=C(Cl)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC(n2cc(Cl)cn2)CC1 ZINC001359144954 1068856671 /nfs/dbraw/zinc/85/66/71/1068856671.db2.gz ZUQBIKBRMUJIPV-UHFFFAOYSA-N 0 0 463.369 4.406 20 30 JIEDRN C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H](C(=O)NCCCC)CC[C@@H]1C ZINC001359146357 1068858781 /nfs/dbraw/zinc/85/87/81/1068858781.db2.gz WGTQLCNBZUBQPP-RDJZCZTQSA-N 0 0 451.402 4.267 20 30 JIEDRN C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(NC(=O)c2ccc(F)cc2)CC1 ZINC001359146369 1068858841 /nfs/dbraw/zinc/85/88/41/1068858841.db2.gz WQFNFCMYEPJYKO-UHFFFAOYSA-N 0 0 475.355 4.284 20 30 JIEDRN C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H](C(=O)NCCCC)CC[C@H]1C ZINC001359146356 1068858866 /nfs/dbraw/zinc/85/88/66/1068858866.db2.gz WGTQLCNBZUBQPP-NVXWUHKLSA-N 0 0 451.402 4.267 20 30 JIEDRN C=C(Cl)Cn1c(-c2cccc(C)n2)nnc1N1CCCN(c2cc(OC)cc(OC)c2)CC1 ZINC001359148778 1068860274 /nfs/dbraw/zinc/86/02/74/1068860274.db2.gz CDEOBUKIGGLFEK-UHFFFAOYSA-N 0 0 468.989 4.135 20 30 JIEDRN C=C(Cl)Cn1c(-c2nn(CCC)c(=O)c3ccccc32)nnc1N1CCSC(C)(C)C1 ZINC001359148980 1068860611 /nfs/dbraw/zinc/86/06/11/1068860611.db2.gz JXCDONFECHVSTF-UHFFFAOYSA-N 0 0 459.019 4.149 20 30 JIEDRN C=C(Cl)Cn1c([C@H]2CCCCO2)nnc1N1CCC(Oc2c(OC)cccc2OC)CC1 ZINC001359150155 1068861800 /nfs/dbraw/zinc/86/18/00/1068861800.db2.gz QCSCFRFCNRCNHM-HXUWFJFHSA-N 0 0 462.978 4.337 20 30 JIEDRN C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCc1cccs1 ZINC001359151299 1068862086 /nfs/dbraw/zinc/86/20/86/1068862086.db2.gz QRWSZKSFTKXLNS-KRWDZBQOSA-N 0 0 468.023 4.079 20 30 JIEDRN C=C(Cl)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](C(=O)N[C@H](C)CCC)C1 ZINC001359151857 1068862788 /nfs/dbraw/zinc/86/27/88/1068862788.db2.gz FBHAMLGTTQPVTN-IAGOWNOFSA-N 0 0 465.976 4.421 20 30 JIEDRN C=C(Cl)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(Cl)=C(Cl)C1 ZINC001359152209 1068862837 /nfs/dbraw/zinc/86/28/37/1068862837.db2.gz PDNIRAIYRDMQPA-OAHLLOKOSA-N 0 0 478.808 4.238 20 30 JIEDRN C=C(Cl)Cn1c(Cc2ccsc2)nnc1N1CCN(c2ccc(C(C)=O)cc2F)CC1 ZINC001359153587 1068863667 /nfs/dbraw/zinc/86/36/67/1068863667.db2.gz LIVYUFBAVAHZCW-UHFFFAOYSA-N 0 0 459.978 4.351 20 30 JIEDRN C=C(Cl)Cn1c(CNC(=O)c2cccs2)nnc1N(C)Cc1c(F)cccc1Cl ZINC001359154952 1068865101 /nfs/dbraw/zinc/86/51/01/1068865101.db2.gz HUDYHHXGWIAOMS-UHFFFAOYSA-N 0 0 454.358 4.451 20 30 JIEDRN C=C(Cl)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC001359154895 1068865124 /nfs/dbraw/zinc/86/51/24/1068865124.db2.gz GJGHQVGLODTFCR-NRFANRHFSA-N 0 0 490.004 4.111 20 30 JIEDRN C=C(Cl)Cn1c(COc2ccc(Br)cc2)nnc1N(C[C@@H]1CCOC1)C1CC1 ZINC001359155425 1068865805 /nfs/dbraw/zinc/86/58/05/1068865805.db2.gz XNOHIMGKASZCTC-HNNXBMFYSA-N 0 0 467.795 4.377 20 30 JIEDRN C=C(Cl)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 ZINC001359155430 1068865856 /nfs/dbraw/zinc/86/58/56/1068865856.db2.gz XQAVUJLKYNMPPI-NTKDMRAZSA-N 0 0 461.006 4.426 20 30 JIEDRN C=C(Cl)Cn1c(CNC(=O)c2cccs2)nnc1N(C)[C@@H](C)c1cc(F)ccc1F ZINC001359155485 1068865860 /nfs/dbraw/zinc/86/58/60/1068865860.db2.gz ZKKQUIBTLSOCHU-ZDUSSCGKSA-N 0 0 451.930 4.498 20 30 JIEDRN C=C(Cl)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 ZINC001359155540 1068866210 /nfs/dbraw/zinc/86/62/10/1068866210.db2.gz BEUOUZAQZNMXAV-QGZVFWFLSA-N 0 0 457.928 4.299 20 30 JIEDRN C=C(Cl)Cn1c(COc2ccc(Cl)cc2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 ZINC001359156063 1068866828 /nfs/dbraw/zinc/86/68/28/1068866828.db2.gz UBVBWTUOTJEJLK-CKJXQJPGSA-N 0 0 453.370 4.036 20 30 JIEDRN C=C(Cl)Cn1c(COc2ccccc2CC)nnc1N1CCN(C(=O)c2ccsc2)CC1 ZINC001359156174 1068867193 /nfs/dbraw/zinc/86/71/93/1068867193.db2.gz XMTHIXBXXJQYOP-UHFFFAOYSA-N 0 0 472.014 4.196 20 30 JIEDRN C=C(Cl)Cn1c(CSc2ccccc2OC)nnc1N1CCN(c2ncccc2F)CC1 ZINC001359156484 1068867672 /nfs/dbraw/zinc/86/76/72/1068867672.db2.gz HKXBASYODJONTP-UHFFFAOYSA-N 0 0 474.993 4.192 20 30 JIEDRN C=C(Cl)Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[C@](O)(c2ccc(C)cc2)C1 ZINC001359156778 1068868347 /nfs/dbraw/zinc/86/83/47/1068868347.db2.gz PQRWOBUEDTZBLW-KNOQFWTLSA-N 0 0 488.032 4.208 20 30 JIEDRN C=C(Cl)Cn1c(CSc2ccccc2OC)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 ZINC001359157078 1068868709 /nfs/dbraw/zinc/86/87/09/1068868709.db2.gz YDMVYKNSCXDCCR-GSHUGGBRSA-N 0 0 465.019 4.104 20 30 JIEDRN N#CCCn1ccc(NC(=O)c2ccc3c(c2)C(=O)N(c2cc(Cl)ccc2Cl)C3=O)n1 ZINC001354055384 1068869198 /nfs/dbraw/zinc/86/91/98/1068869198.db2.gz YCDXBWKWEMPERD-UHFFFAOYSA-N 0 0 454.273 4.156 20 30 JIEDRN C=C1CCN(c2nnc(-c3cc(OC)ccc3Br)n2CCCOC[C@@H]2CCOC2)CC1 ZINC001359160746 1068871325 /nfs/dbraw/zinc/87/13/25/1068871325.db2.gz BXGZCIQIXLLQNM-SFHVURJKSA-N 0 0 491.430 4.316 20 30 JIEDRN C=C1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2CCC(=O)NCCC)CC1 ZINC001359161439 1068872517 /nfs/dbraw/zinc/87/25/17/1068872517.db2.gz DEJHFFFDUALYJD-UHFFFAOYSA-N 0 0 466.811 4.434 20 30 JIEDRN C=C1CCN(c2nnc(-c3ccc(Br)s3)n2CC[S@](=O)C(C)(C)C)CC1 ZINC001359161692 1068872885 /nfs/dbraw/zinc/87/28/85/1068872885.db2.gz NMMXLFIQYBEELI-SANMLTNESA-N 0 0 457.463 4.473 20 30 JIEDRN C#CCN(c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H]1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 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/nfs/dbraw/zinc/87/71/58/1068877158.db2.gz CPESUCDKECDGAG-QFIPXVFZSA-N 0 0 454.022 4.252 20 30 JIEDRN C=C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCOc2ccc(Cl)cn2)CC1 ZINC001359168233 1068878183 /nfs/dbraw/zinc/87/81/83/1068878183.db2.gz MMBVZOJDVYPACJ-UHFFFAOYSA-N 0 0 450.930 4.013 20 30 JIEDRN C=C1CCN(c2nnc(COc3ccccc3CC)n2CCn2cc(Br)cn2)CC1 ZINC001359169198 1068879561 /nfs/dbraw/zinc/87/95/61/1068879561.db2.gz XOYXGWCIDBPHBB-UHFFFAOYSA-N 0 0 471.403 4.235 20 30 JIEDRN C=C1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H](Cc2ccccc2)OC)CC1 ZINC001359169305 1068880121 /nfs/dbraw/zinc/88/01/21/1068880121.db2.gz BZSASXHGWSRRNV-XPWALMASSA-N 0 0 481.641 4.463 20 30 JIEDRN C=CC1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC2(SC)CCOCC2)CC1 ZINC001359173035 1068884966 /nfs/dbraw/zinc/88/49/66/1068884966.db2.gz RXYFHLPAWCZTLR-UHFFFAOYSA-N 0 0 490.073 4.176 20 30 JIEDRN C=CC1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H](OC)c2ccc(Cl)cc2)CC1 ZINC001359174647 1068887115 /nfs/dbraw/zinc/88/71/15/1068887115.db2.gz JZUMMHCSGHMSJK-URXFXBBRSA-N 0 0 461.006 4.374 20 30 JIEDRN C=CC1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2CCN2CCOC[C@H]2C)CC1 ZINC001359175546 1068888564 /nfs/dbraw/zinc/88/85/64/1068888564.db2.gz QATWZYWIHZDHFR-MRXNPFEDSA-N 0 0 494.865 4.484 20 30 JIEDRN C#CCN(CC#C)c1nnc(-c2cc(F)ccc2Br)n1Cc1cc(C(C)(C)C)no1 ZINC001300511420 1068889082 /nfs/dbraw/zinc/88/90/82/1068889082.db2.gz IYJIAIBYBPFAES-UHFFFAOYSA-N 0 0 470.346 4.253 20 30 JIEDRN C=CC1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 ZINC001359176090 1068889686 /nfs/dbraw/zinc/88/96/86/1068889686.db2.gz LPYLTVMBIKGBNC-HXUWFJFHSA-N 0 0 499.965 4.273 20 30 JIEDRN C=CC1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@](C)(O)c2cc(C)oc2C)CC1 ZINC001359176216 1068889713 /nfs/dbraw/zinc/88/97/13/1068889713.db2.gz PPKNBWVXXPLYHX-SANMLTNESA-N 0 0 466.582 4.482 20 30 JIEDRN C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC001300511672 1068890032 /nfs/dbraw/zinc/89/00/32/1068890032.db2.gz NOUFQLCRBDUVGV-HOCLYGCPSA-N 0 0 468.321 4.477 20 30 JIEDRN C=CC1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2CC2([S@](C)=O)CC2)CC1 ZINC001359176323 1068890115 /nfs/dbraw/zinc/89/01/15/1068890115.db2.gz TWEYQXONQINJEQ-LJAQVGFWSA-N 0 0 479.444 4.030 20 30 JIEDRN C=CC1CCN(c2nnc(-c3ccc(OC)cc3OC)n2Cc2nccc(C(F)F)n2)CC1 ZINC001359176271 1068890176 /nfs/dbraw/zinc/89/01/76/1068890176.db2.gz RKNDJXUKOLCVOH-UHFFFAOYSA-N 0 0 456.497 4.141 20 30 JIEDRN C=CC1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCCCNC(=O)OC(C)(C)C)CC1 ZINC001359176425 1068890554 /nfs/dbraw/zinc/89/05/54/1068890554.db2.gz YBOWILAZLGRRHV-UHFFFAOYSA-N 0 0 483.613 4.424 20 30 JIEDRN C=CC1CCN(c2nnc(-c3cccn3C)n2CCCCn2cc(Br)cn2)CC1 ZINC001359176697 1068890619 /nfs/dbraw/zinc/89/06/19/1068890619.db2.gz KSJUWQYTVVPSEG-UHFFFAOYSA-N 0 0 458.408 4.125 20 30 JIEDRN C#CCN(CC#C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@H](C)c1ncc(C)s1 ZINC001300512518 1068892132 /nfs/dbraw/zinc/89/21/32/1068892132.db2.gz XHVGNMHNMCCZSE-HNNXBMFYSA-N 0 0 484.423 4.358 20 30 JIEDRN C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1Cc1cccc(CSC)c1 ZINC001300513084 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WPGONOIGVQLAKK-SFHVURJKSA-N 0 0 460.648 4.142 20 30 JIEDRN C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC001359182928 1068907936 /nfs/dbraw/zinc/90/79/36/1068907936.db2.gz YHBKDSQRUSRERR-QGZVFWFLSA-N 0 0 479.551 4.173 20 30 JIEDRN C=CCC(C)(C)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC001359183053 1068908423 /nfs/dbraw/zinc/90/84/23/1068908423.db2.gz CAKSDPJYXWOSMB-VWNXMTODSA-N 0 0 495.668 4.465 20 30 JIEDRN C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(Oc2cncc(Cl)n2)CC1 ZINC001359183214 1068908717 /nfs/dbraw/zinc/90/87/17/1068908717.db2.gz GHWISMOTDQPRSQ-UHFFFAOYSA-N 0 0 497.003 4.019 20 30 JIEDRN C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCCN1CCCCCC1=O ZINC001300519940 1068908873 /nfs/dbraw/zinc/90/88/73/1068908873.db2.gz AZVPDODMVCGASK-UHFFFAOYSA-N 0 0 458.393 4.117 20 30 JIEDRN C=CCC(C)(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 ZINC001359183777 1068909952 /nfs/dbraw/zinc/90/99/52/1068909952.db2.gz TZHFKPIDBHGKFU-RXFWQSSRSA-N 0 0 471.621 4.461 20 30 JIEDRN C=CCC(C)(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(c2cccnn2)CC1 ZINC001359183953 1068910514 /nfs/dbraw/zinc/91/05/14/1068910514.db2.gz YLIYHUQVXYCHKZ-IBGZPJMESA-N 0 0 465.577 4.276 20 30 JIEDRN C=CCC(C)(C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1C[C@@H](OC)C(C)(C)C1 ZINC001359184257 1068912269 /nfs/dbraw/zinc/91/22/69/1068912269.db2.gz JBVLGIVZFRRPBV-GOSISDBHSA-N 0 0 474.675 4.010 20 30 JIEDRN C=CCC(C)(C)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 ZINC001359184404 1068913155 /nfs/dbraw/zinc/91/31/55/1068913155.db2.gz NWKPKAINZKGSKZ-SFHVURJKSA-N 0 0 463.586 4.214 20 30 JIEDRN C=CCC(C)(C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC2(COC(=O)N2)CC1 ZINC001359184671 1068914422 /nfs/dbraw/zinc/91/44/22/1068914422.db2.gz WKILEEAJYXTCBZ-UHFFFAOYSA-N 0 0 461.513 4.228 20 30 JIEDRN C#CCN(CC#C)c1nnc(-c2ccc(CC)cc2)n1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001300521982 1068915798 /nfs/dbraw/zinc/91/57/98/1068915798.db2.gz ZAUFKTZKIRGWMN-JOCHJYFZSA-N 0 0 461.610 4.227 20 30 JIEDRN C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC001359185357 1068917786 /nfs/dbraw/zinc/91/77/86/1068917786.db2.gz UBWVOOXZQXQVQX-GOSISDBHSA-N 0 0 480.078 4.309 20 30 JIEDRN C=CCC(C)(C)Cn1c(-c2ccccc2C)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 ZINC001359185612 1068918528 /nfs/dbraw/zinc/91/85/28/1068918528.db2.gz CUNUYHCLAKKIDA-OAQYLSRUSA-N 0 0 450.631 4.438 20 30 JIEDRN C=CCC(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC001359188374 1068923333 /nfs/dbraw/zinc/92/33/33/1068923333.db2.gz MIVZHNLYFZTETP-FYYLOGMGSA-N 0 0 465.642 4.421 20 30 JIEDRN C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1csc(Br)c1 ZINC001359188573 1068923794 /nfs/dbraw/zinc/92/37/94/1068923794.db2.gz QECFVUQNUYJTJE-OAHLLOKOSA-N 0 0 487.489 4.243 20 30 JIEDRN C=CCC(C)(C)Cn1c([C@H]2CCCOC2)nnc1N1CCCN(C(=O)c2ccsc2)CC1 ZINC001359188432 1068923859 /nfs/dbraw/zinc/92/38/59/1068923859.db2.gz NJJXELYBNUABFA-IBGZPJMESA-N 0 0 457.644 4.188 20 30 JIEDRN 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C=CCC(C)(C)Cn1c(CSc2ccc(C)cc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 ZINC001359192221 1068941723 /nfs/dbraw/zinc/94/17/23/1068941723.db2.gz ZMJPWQZNZVZXAG-JOCHJYFZSA-N 0 0 496.681 4.248 20 30 JIEDRN C=CCC(C)(C)Cn1c(COc2ccc(Br)cc2)nnc1N1CC[C@@](C)(C(=O)NC)C1 ZINC001359192219 1068941737 /nfs/dbraw/zinc/94/17/37/1068941737.db2.gz ZGOTUVFZGBHEIA-HSZRJFAPSA-N 0 0 490.446 4.184 20 30 JIEDRN C=CCC(C)(C)Cn1c(N2CCN(Cc3cccc(F)c3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001359192570 1068947916 /nfs/dbraw/zinc/94/79/16/1068947916.db2.gz IUXPOGUPEKLGKS-HHHXNRCGSA-N 0 0 485.648 4.382 20 30 JIEDRN C=CCC(C)(C)Cn1c(N2CCCN(C(=O)c3ccccc3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001359192683 1068948329 /nfs/dbraw/zinc/94/83/29/1068948329.db2.gz LLDOSJQJRFYYOR-MUUNZHRXSA-N 0 0 495.668 4.274 20 30 JIEDRN C=CCC(C)(C)Cn1c(N2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)nnc1[C@]1(OCC)CCOC1 ZINC001359193130 1068949978 /nfs/dbraw/zinc/94/99/78/1068949978.db2.gz XTHNPZQGRPBPNN-IBVKSMDESA-N 0 0 491.677 4.226 20 30 JIEDRN C=CC[C@H](Cn1c(-c2cccnc2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1)c1ccccc1 ZINC001359193679 1068953834 /nfs/dbraw/zinc/95/38/34/1068953834.db2.gz HSVOPIBVLYCOAI-HSZRJFAPSA-N 0 0 473.625 4.330 20 30 JIEDRN C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H](C)Oc1cccc(C)c1 ZINC001300535888 1068955174 /nfs/dbraw/zinc/95/51/74/1068955174.db2.gz QBBLVTTWDCHFMM-PKTZIBPZSA-N 0 0 491.636 4.241 20 30 JIEDRN C=CC[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CC(C)(C)OC[C@@H]1C)c1ccccc1 ZINC001359194126 1068956215 /nfs/dbraw/zinc/95/62/15/1068956215.db2.gz PREKIJFYZUMOJX-PZJWPPBQSA-N 0 0 460.582 4.289 20 30 JIEDRN C=CC[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC=C(Br)C1)c1ccccc1 ZINC001359195440 1068961605 /nfs/dbraw/zinc/96/16/05/1068961605.db2.gz MPYUSDDHLIWVJW-RBUKOAKNSA-N 0 0 491.455 4.029 20 30 JIEDRN C=CC[C@@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H](C)CC(N)=O)c1ccccc1 ZINC001359195821 1068962131 /nfs/dbraw/zinc/96/21/31/1068962131.db2.gz SFUDTWYQDONJNA-BVSLBCMMSA-N 0 0 496.656 4.410 20 30 JIEDRN 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4.302 20 30 JIEDRN C=CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](OCC(C)C)C1 ZINC001359337827 1069396564 /nfs/dbraw/zinc/39/65/64/1069396564.db2.gz CCLKFSIXRCBPGH-INIZCTEOSA-N 0 0 454.438 4.206 20 30 JIEDRN C=CCSCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001359337900 1069396723 /nfs/dbraw/zinc/39/67/23/1069396723.db2.gz FAXVDKKKMYQFNQ-HKUYNNGSSA-N 0 0 494.752 4.454 20 30 JIEDRN C=CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(c2nc(C)cs2)CC1 ZINC001359338001 1069397144 /nfs/dbraw/zinc/39/71/44/1069397144.db2.gz INAHMYWSBCFNMD-UHFFFAOYSA-N 0 0 494.488 4.046 20 30 JIEDRN C=CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 ZINC001359338042 1069397242 /nfs/dbraw/zinc/39/72/42/1069397242.db2.gz JVMDCGHTSWJTEZ-SFHVURJKSA-N 0 0 472.596 4.115 20 30 JIEDRN C=CCSCCn1c(-c2ccc(C)c(Br)c2)nnc1N1C[C@H](C)O[C@H](COC)C1 ZINC001359338699 1069399133 /nfs/dbraw/zinc/39/91/33/1069399133.db2.gz DPVUTPJWENTOQW-WMZOPIPTSA-N 0 0 481.460 4.175 20 30 JIEDRN C=CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 ZINC001359338736 1069399204 /nfs/dbraw/zinc/39/92/04/1069399204.db2.gz FWQYNPQFKOYNLE-GOSISDBHSA-N 0 0 473.050 4.038 20 30 JIEDRN C=CCSCCn1c(-c2ccc(CC)cc2)nnc1N1CCN(C(=O)OCC(C)C)CC1 ZINC001359338778 1069399333 /nfs/dbraw/zinc/39/93/33/1069399333.db2.gz HGMDUIQERBPIFF-UHFFFAOYSA-N 0 0 457.644 4.341 20 30 JIEDRN C=CCSCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 ZINC001359338585 1069398467 /nfs/dbraw/zinc/39/84/67/1069398467.db2.gz ASYWWEFMZKNOEM-KRWDZBQOSA-N 0 0 463.438 4.348 20 30 JIEDRN C=CCSCCn1c(-c2ccc(Br)cc2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC001359338485 1069398529 /nfs/dbraw/zinc/39/85/29/1069398529.db2.gz XNSRHEFFIZAMPU-IIBYNOLFSA-N 0 0 479.444 4.011 20 30 JIEDRN C=CCSCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCC[C@H](COC)C1 ZINC001359339714 1069401539 /nfs/dbraw/zinc/40/15/39/1069401539.db2.gz OUBYUHNTUPZPGL-INIZCTEOSA-N 0 0 481.460 4.498 20 30 JIEDRN C=CCSCCn1c(-c2ccccc2Br)nnc1N1CCC(C(=O)OC)CC1 ZINC001359339725 1069402453 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462.044 4.476 20 30 JIEDRN C=CCSCCn1c(Cc2ccccc2OC)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 ZINC001359344373 1069411359 /nfs/dbraw/zinc/41/13/59/1069411359.db2.gz VMLYXRLXZJIICA-HXUWFJFHSA-N 0 0 471.652 4.140 20 30 JIEDRN C=CCSCCn1c(Cc2csc(C)n2)nnc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC001359344525 1069411764 /nfs/dbraw/zinc/41/17/64/1069411764.db2.gz AQRHSTBGCWPVAD-HXUWFJFHSA-N 0 0 477.606 4.409 20 30 JIEDRN C=CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N(C)Cc1cc(Cl)ccn1 ZINC001359343123 1069408804 /nfs/dbraw/zinc/40/88/04/1069408804.db2.gz MJVFZWMQUYJQHB-HXUWFJFHSA-N 0 0 457.987 4.395 20 30 JIEDRN C=CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)c2ccccc2)CC1 ZINC001359346229 1069416866 /nfs/dbraw/zinc/41/68/66/1069416866.db2.gz FYMMAQRWYNMTFA-FGZHOGPDSA-N 0 0 483.682 4.078 20 30 JIEDRN C=CCSCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@](C)(OC)CC1 ZINC001359346587 1069417367 /nfs/dbraw/zinc/41/73/67/1069417367.db2.gz OWFLTSFLIYEOEE-YDIMBITNSA-N 0 0 479.691 4.363 20 30 JIEDRN C=CCSCCn1c(COc2ccc(Cl)cc2)nnc1N1CCc2c(cc[nH]c2=O)C1 ZINC001359345912 1069415580 /nfs/dbraw/zinc/41/55/80/1069415580.db2.gz ULJNPGQIUAFNBB-UHFFFAOYSA-N 0 0 457.987 4.093 20 30 JIEDRN N#CCCCOc1cccc(NC(=O)[C@@H]2CCC(=O)N2Cc2ccc(Br)cc2)c1 ZINC001354623127 1069416302 /nfs/dbraw/zinc/41/63/02/1069416302.db2.gz BCZWETDFAIPXLK-FQEVSTJZSA-N 0 0 456.340 4.261 20 30 JIEDRN C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc(Cl)cc3F)n2[C@@H]2C[C@H]2C(C)C)n1 ZINC001300676358 1069424257 /nfs/dbraw/zinc/42/42/57/1069424257.db2.gz NJIZAIADQZJNRO-RBBKRZOGSA-N 0 0 470.980 4.437 20 30 JIEDRN C#CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCc2ccccc21 ZINC001300676864 1069428030 /nfs/dbraw/zinc/42/80/30/1069428030.db2.gz VNNPHKSBYLCGLB-GGAORHGYSA-N 0 0 479.625 4.166 20 30 JIEDRN COc1ccccc1SCc1nnc(N2CCC[C@](C)(C#N)C2)n1CCNC(=O)OC(C)(C)C ZINC001300679697 1069441090 /nfs/dbraw/zinc/44/10/90/1069441090.db2.gz NPDWJDMSUJWWKX-XMMPIXPASA-N 0 0 486.642 4.234 20 30 JIEDRN CC(=O)N(C)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCCC2(F)F)CC1 ZINC001359354752 1069441196 /nfs/dbraw/zinc/44/11/96/1069441196.db2.gz YDAZBNGYZWRQII-FQEVSTJZSA-N 0 0 486.567 4.001 20 30 JIEDRN CC(=O)N1CCC(Cn2c([C@H](C)Oc3cccc(C)c3C)nnc2N(C)[C@@H](C)CC#N)CC1 ZINC001359364167 1069458537 /nfs/dbraw/zinc/45/85/37/1069458537.db2.gz KVXIJMSAWUKBSG-ICSRJNTNSA-N 0 0 452.603 4.032 20 30 JIEDRN C[C@H](C#N)CN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CCSC1(C)C ZINC001359466949 1069602575 /nfs/dbraw/zinc/60/25/75/1069602575.db2.gz JZSWLKPPAIPEEY-KGLIPLIRSA-N 0 0 451.438 4.174 20 30 JIEDRN CC(C)O[C@@]1(c2nnc(N(C)C[C@@H](C)C#N)n2C[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)CCOC1 ZINC001359467179 1069603699 /nfs/dbraw/zinc/60/36/99/1069603699.db2.gz NYHKYXBNOJKBFR-OZAHESQGSA-N 0 0 461.651 4.144 20 30 JIEDRN C[C@H](C#N)CN(C)c1nnc(-c2ccc(Br)cc2Cl)n1CCSCCCO ZINC001359468318 1069608614 /nfs/dbraw/zinc/60/86/14/1069608614.db2.gz JKCMLCYRKPBWNH-CYBMUJFWSA-N 0 0 472.840 4.072 20 30 JIEDRN C[C@@H](C#N)CN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCNC(=O)c1ccccc1F ZINC001359468245 1069607402 /nfs/dbraw/zinc/60/74/02/1069607402.db2.gz HUSOQUNBTARGRJ-SJORKVTESA-N 0 0 480.613 4.296 20 30 JIEDRN C[C@H](C#N)CN(C)c1nnc(-c2ccc(Br)cc2)n1C[C@@H](C)CNC(=O)OC(C)(C)C ZINC001359468636 1069610851 /nfs/dbraw/zinc/61/08/51/1069610851.db2.gz OPBHXZMATPEFTR-CVEARBPZSA-N 0 0 491.434 4.464 20 30 JIEDRN C[C@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N(C)C[C@H](C)C#N)N(C)C(=O)OC(C)(C)C ZINC001359468888 1069612263 /nfs/dbraw/zinc/61/22/63/1069612263.db2.gz SXYVMHAQNANDBA-HZPDHXFCSA-N 0 0 478.544 4.398 20 30 JIEDRN C[C@@H](C#N)CN(C)c1nnc(-c2ccccc2Br)n1C[C@H]1CSCCS1 ZINC001359469276 1069613783 /nfs/dbraw/zinc/61/37/83/1069613783.db2.gz AXHGLJOOZULZMG-KBPBESRZSA-N 0 0 452.447 4.152 20 30 JIEDRN C[C@H](C#N)CN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1Cc1ccnc(C(F)(F)F)c1 ZINC001359470895 1069619873 /nfs/dbraw/zinc/61/98/73/1069619873.db2.gz HSXSVTMCZNAJGL-MRXNPFEDSA-N 0 0 466.471 4.189 20 30 JIEDRN C[C@@H](C#N)CN(C)c1nnc(-c2ccccc2Br)n1Cc1cccnc1OCC(F)F ZINC001359469954 1069617288 /nfs/dbraw/zinc/61/72/88/1069617288.db2.gz OEDNXOVMMQATLD-AWEZNQCLSA-N 0 0 491.340 4.391 20 30 JIEDRN C[C@@H](C#N)CN(C)c1nnc(-c2ccc(F)cc2Br)n1CC1(O)CCCCC1 ZINC001359470384 1069618459 /nfs/dbraw/zinc/61/84/59/1069618459.db2.gz WVRGGSUHIUDGEZ-AWEZNQCLSA-N 0 0 450.356 4.138 20 30 JIEDRN C[C@H](C#N)CN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1CCC(F)(F)CC1 ZINC001359473792 1069625098 /nfs/dbraw/zinc/62/50/98/1069625098.db2.gz IEBAADZJUARNLZ-SJLPKXTDSA-N 0 0 482.576 4.008 20 30 JIEDRN C[C@H](C#N)CN(C)c1nnc(Cc2c(F)cccc2F)n1Cc1c(Cl)c(C(F)(F)F)nn1C ZINC001359473390 1069622750 /nfs/dbraw/zinc/62/27/50/1069622750.db2.gz BFJZANKLWDZAJN-LLVKDONJSA-N 0 0 487.864 4.197 20 30 JIEDRN C[C@H](C#N)CN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCc1cccc(F)c1 ZINC001359473842 1069625322 /nfs/dbraw/zinc/62/53/22/1069625322.db2.gz JGWPWDSAGNIGPD-GOSISDBHSA-N 0 0 470.593 4.370 20 30 JIEDRN 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C[C@@H]1CN(C(=O)c2ccc(NC(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)cc2)C[C@@H](C)O1 ZINC001357257384 1067826965 /nfs/dbraw/zinc/82/69/65/1067826965.db2.gz RLZFFBJZIPJHOB-QZTJIDSGSA-N 0 0 456.502 4.247 20 30 JIEDRN CCc1cc2c(C)cc(=O)oc2cc1OC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 ZINC001352996719 1067830147 /nfs/dbraw/zinc/83/01/47/1067830147.db2.gz ZXLBZBGGIIYCAR-INIZCTEOSA-N 0 0 450.878 4.147 20 30 JIEDRN C#CCN(Cc1ccc(F)cc1)C(=O)CCCOc1ccc(I)cc1 ZINC001357325675 1067834599 /nfs/dbraw/zinc/83/45/99/1067834599.db2.gz ZJRSAIDQIZKIMV-UHFFFAOYSA-N 0 0 451.279 4.251 20 30 JIEDRN CCCCCCCCCCNC(=S)N1CCC2(CC1)OCC(=O)N(c1cnn(C)c1)[C@@H]2C ZINC001200209741 1067845851 /nfs/dbraw/zinc/84/58/51/1067845851.db2.gz QBKKWHLLQOMMRC-HXUWFJFHSA-N 0 0 463.692 4.022 20 30 JIEDRN CCCCCCCCCCNC(=S)N1CCO[C@@]2(C1)COCCN(Cc1cccnc1)C2 ZINC001200211458 1067849498 /nfs/dbraw/zinc/84/94/98/1067849498.db2.gz PCRXRAGJTPPBEY-VWLOTQADSA-N 0 0 462.704 4.000 20 30 JIEDRN COc1ccc(CCNc2nnc(S[C@@H](C)C(=O)NC3(C#N)CCCCC3)s2)cc1OC ZINC000502087829 1067850182 /nfs/dbraw/zinc/85/01/82/1067850182.db2.gz CMBCNXFMUKWZAI-HNNXBMFYSA-N 0 0 475.640 4.033 20 30 JIEDRN CC(C)(C)OC(=O)N1CCC[C@@H]1COC(=O)c1cccc(NC(=O)c2ccc(C#N)s2)c1 ZINC001357447877 1067851140 /nfs/dbraw/zinc/85/11/40/1067851140.db2.gz OABYAWDFPHWYNL-QGZVFWFLSA-N 0 0 455.536 4.428 20 30 JIEDRN CCCCCCCCCCNC(=S)N1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C(=O)OC)C1 ZINC001200217378 1067852807 /nfs/dbraw/zinc/85/28/07/1067852807.db2.gz UXEVYMDIYYZXLA-OALUTQOASA-N 0 0 457.681 4.390 20 30 JIEDRN CCCCCCCCCCNC(=S)NC[C@@H](c1cnc(C(F)(F)F)nc1)N1CCOCC1 ZINC001200218167 1067854855 /nfs/dbraw/zinc/85/48/55/1067854855.db2.gz DLEKCLIGZSRNGK-IBGZPJMESA-N 0 0 475.625 4.474 20 30 JIEDRN COc1ccc(Cn2c(-c3ccc(Br)s3)nnc2N2CCO[C@H](C#N)C2)cc1Cl ZINC001300191496 1067855557 /nfs/dbraw/zinc/85/55/57/1067855557.db2.gz HKBFORZJNQFJDG-CYBMUJFWSA-N 0 0 494.802 4.208 20 30 JIEDRN COc1ccc(Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)C[C@H](C)C#N)cc1Cl ZINC001300192265 1067857544 /nfs/dbraw/zinc/85/75/44/1067857544.db2.gz WMWCNBNPOLFGON-GFCCVEGCSA-N 0 0 463.767 4.342 20 30 JIEDRN CC(C)(C)OC(=O)N1CCC[C@H]1COC(=O)c1ccc(NC(=O)c2ccsc2C#N)cc1 ZINC001357495800 1067859403 /nfs/dbraw/zinc/85/94/03/1067859403.db2.gz SRQZLIMKKXVMKQ-KRWDZBQOSA-N 0 0 455.536 4.428 20 30 JIEDRN CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2c(Cl)cccc2C(F)(F)F)cc1 ZINC001357545295 1067868058 /nfs/dbraw/zinc/86/80/58/1067868058.db2.gz YTDKVIJBCPIUTR-PCLIKHOPSA-N 0 0 459.877 4.424 20 30 JIEDRN C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Oc2cccc(C(N)=O)c2)c1 ZINC001357555399 1067869754 /nfs/dbraw/zinc/86/97/54/1067869754.db2.gz BLGXZOUEJCQZHD-UHFFFAOYSA-N 0 0 470.934 4.039 20 30 JIEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)C(F)(F)F)c2)cc1 ZINC001357632292 1067879793 /nfs/dbraw/zinc/87/97/93/1067879793.db2.gz VSTLGBKHINZHET-UHFFFAOYSA-N 0 0 452.454 4.047 20 30 JIEDRN CCCC(=O)Nc1nc2ccc(NC(=O)C3CCN(c4oc(C)nc4C#N)CC3)cc2s1 ZINC001357635144 1067880270 /nfs/dbraw/zinc/88/02/70/1067880270.db2.gz GJNYPHASCOKWEC-UHFFFAOYSA-N 0 0 452.540 4.058 20 30 JIEDRN COc1ccc(Cn2c(Cc3cccnc3)nnc2N2CCC[C@@](C)(C#N)C2)c(C(F)(F)F)c1 ZINC001300217673 1067888462 /nfs/dbraw/zinc/88/84/62/1067888462.db2.gz DWVOQGMGIOWUEK-QHCPKHFHSA-N 0 0 470.499 4.470 20 30 JIEDRN CS(=O)(=O)Cc1cccc(CNC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)c1 ZINC001357729687 1067891981 /nfs/dbraw/zinc/89/19/81/1067891981.db2.gz MCFPSCIRFLDNBR-UHFFFAOYSA-N 0 0 454.935 4.479 20 30 JIEDRN N#Cc1cc(-c2ccccc2)sc1NC(=O)CN1C(=O)C(F)(F)c2cc([N+](=O)[O-])ccc21 ZINC001357754533 1067894530 /nfs/dbraw/zinc/89/45/30/1067894530.db2.gz RKLKKOLARHQFCC-UHFFFAOYSA-N 0 0 454.414 4.272 20 30 JIEDRN C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)/C(C)=C/c2c(Cl)cccc2Cl)c1 ZINC001357767231 1067896090 /nfs/dbraw/zinc/89/60/90/1067896090.db2.gz MRVHSESFOFJJGN-SAPNQHFASA-N 0 0 457.357 4.270 20 30 JIEDRN CSCC[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)O[C@H](C)C(=O)Nc1ccccc1C#N ZINC000847618371 1067898263 /nfs/dbraw/zinc/89/82/63/1067898263.db2.gz IZBUTIWADCEQCU-YJYMSZOUSA-N 0 0 494.400 4.287 20 30 JIEDRN N#Cc1ccc(Oc2ccc(C(=O)N[C@@H]3CCN(c4ccc(F)c(Cl)c4)C3=O)cc2)nc1 ZINC001357830676 1067915945 /nfs/dbraw/zinc/91/59/45/1067915945.db2.gz CNKKUVYDZCOFOU-HXUWFJFHSA-N 0 0 450.857 4.073 20 30 JIEDRN N#Cc1ccc(OCC(=O)N(CCc2ccccc2)Cc2ccncc2)cc1Br ZINC001357959230 1067959420 /nfs/dbraw/zinc/95/94/20/1067959420.db2.gz WUNIQNDRJMIGNP-UHFFFAOYSA-N 0 0 450.336 4.366 20 30 JIEDRN C#Cc1cccc(N(Cc2ccco2)C(=O)c2cc(S(=O)(=O)N(CC)CC)ccc2C)c1 ZINC001358007435 1067982502 /nfs/dbraw/zinc/98/25/02/1067982502.db2.gz PXWMACOGZMOGGT-UHFFFAOYSA-N 0 0 450.560 4.447 20 30 JIEDRN C=C(C)Cn1c(SCC(=O)N[C@H](C)CCc2ccc3c(c2)OCO3)nnc1-c1ccco1 ZINC001353281966 1067986059 /nfs/dbraw/zinc/98/60/59/1067986059.db2.gz IUPDCTDGUKUIAD-MRXNPFEDSA-N 0 0 454.552 4.073 20 30 JIEDRN CC(C)NC(=O)CSc1ccccc1C(=O)N[C@H](C#N)c1ccc(OC(F)(F)F)cc1 ZINC001358028637 1067992706 /nfs/dbraw/zinc/99/27/06/1067992706.db2.gz NGHDJBMTJSNSDD-QGZVFWFLSA-N 0 0 451.470 4.197 20 30 JIEDRN C=CCc1cc(CNC(=O)c2cc3ccc(Br)cc3c(=O)o2)cc(OC)c1OC ZINC001358049284 1068003255 /nfs/dbraw/zinc/00/32/55/1068003255.db2.gz NUQTUOUDSNONDW-UHFFFAOYSA-N 0 0 458.308 4.231 20 30 JIEDRN C=CCNC(=S)Nc1cc(CN2CCN(C(=O)OC(C)(C)C)CC2)cc(C(F)(F)F)c1 ZINC001200294526 1068003479 /nfs/dbraw/zinc/00/34/79/1068003479.db2.gz LZKNFZYKNWMQLU-UHFFFAOYSA-N 0 0 458.550 4.231 20 30 JIEDRN COc1ccc(OC)c(CCCn2c(Cc3ccncc3)nnc2N2CCC(C)(C#N)CC2)c1 ZINC001300254517 1068011746 /nfs/dbraw/zinc/01/17/46/1068011746.db2.gz SNAQTKWRJIQDML-UHFFFAOYSA-N 0 0 460.582 4.044 20 30 JIEDRN N#Cc1ccc(N2CCN(C(=O)c3ccc(Br)cc3C(F)(F)F)CC2)c(F)c1 ZINC001358080031 1068013448 /nfs/dbraw/zinc/01/34/48/1068013448.db2.gz GODAYVKRNQBPAD-UHFFFAOYSA-N 0 0 456.237 4.441 20 30 JIEDRN COc1ccc([C@@H]2C[C@H]2CC(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCCCN3C)cc2)cc1 ZINC001358084239 1068013936 /nfs/dbraw/zinc/01/39/36/1068013936.db2.gz AADDHNLBZFSECC-AHZNPYLHSA-N 0 0 469.607 4.421 20 30 JIEDRN C[C@H](COCC(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCCCN2C)cc1)c1ccccc1 ZINC001358085060 1068015105 /nfs/dbraw/zinc/01/51/05/1068015105.db2.gz XILNULMZGSXAEY-YXKKDJNZSA-N 0 0 457.596 4.038 20 30 JIEDRN COc1ccc(OCc2nnc(N(C)[C@@H](C)CC#N)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1 ZINC001300261345 1068025442 /nfs/dbraw/zinc/02/54/42/1068025442.db2.gz RORHZESMAMLIIJ-OALUTQOASA-N 0 0 484.601 4.004 20 30 JIEDRN C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1CCCO[C@H]1C(C)(C)C ZINC001300268632 1068043374 /nfs/dbraw/zinc/04/33/74/1068043374.db2.gz UJYXPTZLWRGWKB-TUNNFDKTSA-N 0 0 451.615 4.446 20 30 JIEDRN C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC001358209031 1068044392 /nfs/dbraw/zinc/04/43/92/1068044392.db2.gz YABYZUGKDPRWCI-AWEZNQCLSA-N 0 0 454.361 4.310 20 30 JIEDRN C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@H]1CCCCS1(=O)=O ZINC001300273076 1068055102 /nfs/dbraw/zinc/05/51/02/1068055102.db2.gz OXFSQSAOOWWSBX-NSHGMRRFSA-N 0 0 479.046 4.114 20 30 JIEDRN C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1Cc1ccnc(SC)c1 ZINC001300274727 1068057531 /nfs/dbraw/zinc/05/75/31/1068057531.db2.gz MGEJPVAOMJJTAA-QZTJIDSGSA-N 0 0 451.596 4.440 20 30 JIEDRN C#C[C@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](CC)Oc1cccc(F)c1 ZINC001300275839 1068058441 /nfs/dbraw/zinc/05/84/41/1068058441.db2.gz AUIWSOXEQJESGY-WMLDXEAASA-N 0 0 460.351 4.490 20 30 JIEDRN C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCNc1nccc(C(F)(F)F)n1 ZINC001300275744 1068058819 /nfs/dbraw/zinc/05/88/19/1068058819.db2.gz ZFJOIQBSGHUITM-WMZOPIPTSA-N 0 0 487.530 4.414 20 30 JIEDRN C#C[C@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCCc1nc2c(s1)CCCC2 ZINC001300276055 1068059081 /nfs/dbraw/zinc/05/90/81/1068059081.db2.gz GACBWSXJMZBSKO-KRWDZBQOSA-N 0 0 495.649 4.397 20 30 JIEDRN C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CCCCc1nc(C)cs1 ZINC001300276708 1068060524 /nfs/dbraw/zinc/06/05/24/1068060524.db2.gz PVUZAMRXBDTWKN-OAHLLOKOSA-N 0 0 461.433 4.292 20 30 JIEDRN C#C[C@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1Cc1cc(Br)cs1 ZINC001300277205 1068061970 /nfs/dbraw/zinc/06/19/70/1068061970.db2.gz YDWMKZXOKQALDL-NSHDSACASA-N 0 0 483.233 4.376 20 30 JIEDRN CC[C@@H](C#N)Oc1cc(CNC(=O)c2cnc3ncc(Br)cc3c2)ccc1OC ZINC001353364248 1068062136 /nfs/dbraw/zinc/06/21/36/1068062136.db2.gz KXMKUSHYYXANDT-KRWDZBQOSA-N 0 0 455.312 4.012 20 30 JIEDRN N#C[C@H](C(=O)c1cccc(NC(=O)CCCc2cccs2)c1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000502705418 1068071160 /nfs/dbraw/zinc/07/11/60/1068071160.db2.gz HPYVMWRQLYDQJL-OAQYLSRUSA-N 0 0 497.584 4.132 20 30 JIEDRN C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCNC(=O)c1cccc(C)c1 ZINC001300281826 1068074796 /nfs/dbraw/zinc/07/47/96/1068074796.db2.gz DLGXOCQDOZJFGG-OALUTQOASA-N 0 0 461.635 4.328 20 30 JIEDRN C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)cc2Cl)n1CC1([S@@](C)=O)CCC1 ZINC001300283412 1068077645 /nfs/dbraw/zinc/07/76/45/1068077645.db2.gz UHTZYLYGCCYPIF-PFUSGODGSA-N 0 0 469.836 4.120 20 30 JIEDRN C#C[C@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1Cc1cnn(CC(C)C)c1C ZINC001300283395 1068077913 /nfs/dbraw/zinc/07/79/13/1068077913.db2.gz MGXDQWPMRQACOI-INIZCTEOSA-N 0 0 485.430 4.383 20 30 JIEDRN C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)cc2Cl)n1Cc1nccn1C(F)F ZINC001300283970 1068079828 /nfs/dbraw/zinc/07/98/28/1068079828.db2.gz XDJXPNZLYWBCDK-LLVKDONJSA-N 0 0 469.721 4.459 20 30 JIEDRN C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1CCc1nccc(C(F)(F)F)n1 ZINC001300285284 1068082859 /nfs/dbraw/zinc/08/28/59/1068082859.db2.gz ZVOQPMDHSOOHNW-ZDUSSCGKSA-N 0 0 479.304 4.217 20 30 JIEDRN C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2F)n1CCNc1nccc(C(F)(F)F)n1 ZINC001300286158 1068085449 /nfs/dbraw/zinc/08/54/49/1068085449.db2.gz FCCFGXTZNOQADG-GFCCVEGCSA-N 0 0 467.858 4.116 20 30 JIEDRN C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC001300287003 1068087349 /nfs/dbraw/zinc/08/73/49/1068087349.db2.gz RNUFXHYDELZLEF-LBPRGKRZSA-N 0 0 460.756 4.454 20 30 JIEDRN C#C[C@@H](C)N(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1Cc1cccc(N2CCOCC2)n1 ZINC001300288494 1068089430 /nfs/dbraw/zinc/08/94/30/1068089430.db2.gz BWIWCWQEJFJXTR-JOCHJYFZSA-N 0 0 488.636 4.108 20 30 JIEDRN 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C=C(Cl)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC001359141620 1068851106 /nfs/dbraw/zinc/85/11/06/1068851106.db2.gz MPBDUTYLCWPCMN-QGZVFWFLSA-N 0 0 461.969 4.187 20 30 JIEDRN C=C(Cl)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 ZINC001359141422 1068851185 /nfs/dbraw/zinc/85/11/85/1068851185.db2.gz GPSWIBXVWLEPFH-HXUWFJFHSA-N 0 0 488.423 4.269 20 30 JIEDRN C=C(Cl)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N(C)C1CCC(NC(C)=O)CC1 ZINC001359142152 1068851513 /nfs/dbraw/zinc/85/15/13/1068851513.db2.gz BEBGUOIZTPQEPS-KKXNLOMOSA-N 0 0 476.021 4.453 20 30 JIEDRN C=C(Cl)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 ZINC001359142129 1068851570 /nfs/dbraw/zinc/85/15/70/1068851570.db2.gz AZYZVYFDJYAHNU-LJQANCHMSA-N 0 0 475.037 4.418 20 30 JIEDRN C=C(Cl)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 ZINC001359142291 1068851832 /nfs/dbraw/zinc/85/18/32/1068851832.db2.gz DUGURYSLEZMQSM-NHCUHLMSSA-N 0 0 457.022 4.155 20 30 JIEDRN C=C(Cl)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(Cc2csc(C)n2)CC1 ZINC001359143114 1068852888 /nfs/dbraw/zinc/85/28/88/1068852888.db2.gz VBIPEWKPIXDKCX-INIZCTEOSA-N 0 0 477.009 4.397 20 30 JIEDRN C=C(Cl)Cn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CC[C@]2(CCC(=O)N2)C1 ZINC001359143142 1068852901 /nfs/dbraw/zinc/85/29/01/1068852901.db2.gz VIDILRTYNDXJKJ-OPAMFIHVSA-N 0 0 464.397 4.300 20 30 JIEDRN C=C(Cl)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 ZINC001359143248 1068853377 /nfs/dbraw/zinc/85/33/77/1068853377.db2.gz XBDQBOSYWCRDOK-MRUHUIDDSA-N 0 0 453.370 4.208 20 30 JIEDRN C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC001359143476 1068853823 /nfs/dbraw/zinc/85/38/23/1068853823.db2.gz BMBRYHRMTMCDQF-KRWDZBQOSA-N 0 0 496.759 4.328 20 30 JIEDRN C=C(Cl)Cn1c(-c2sc3ccccc3c2Cl)nnc1N(C)CCS(=O)(=O)CC ZINC001359143758 1068854059 /nfs/dbraw/zinc/85/40/59/1068854059.db2.gz MIRDUBHSWBCEPK-UHFFFAOYSA-N 0 0 459.424 4.437 20 30 JIEDRN C=C(Cl)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 ZINC001359143666 1068854222 /nfs/dbraw/zinc/85/42/22/1068854222.db2.gz JKEKGRXAAQKQOD-UHFFFAOYSA-N 0 0 476.688 4.024 20 30 JIEDRN C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@H](Oc2ncccc2F)C1 ZINC001359144046 1068854807 /nfs/dbraw/zinc/85/48/07/1068854807.db2.gz VTRDBNLVHZDMHG-HNNXBMFYSA-N 0 0 495.784 4.381 20 30 JIEDRN C=C(Cl)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCC(N2CCCC2=O)CC1 ZINC001359144111 1068854888 /nfs/dbraw/zinc/85/48/88/1068854888.db2.gz XIYMCAGWBHOOFC-UHFFFAOYSA-N 0 0 482.785 4.190 20 30 JIEDRN C=C(Cl)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 ZINC001359144129 1068854904 /nfs/dbraw/zinc/85/49/04/1068854904.db2.gz YFGLEYDFYMJSQB-UHFFFAOYSA-N 0 0 493.793 4.088 20 30 JIEDRN C=C(Cl)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N(C)C[C@H](C)c1nccs1 ZINC001359144553 1068855968 /nfs/dbraw/zinc/85/59/68/1068855968.db2.gz MJOBTJNPOHPEEU-ZDUSSCGKSA-N 0 0 463.991 4.420 20 30 JIEDRN C=C(Cl)Cn1c(-c2ccc(Br)s2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 ZINC001359145686 1068857869 /nfs/dbraw/zinc/85/78/69/1068857869.db2.gz ZIUOVMDYTWHCEP-CYBMUJFWSA-N 0 0 470.824 4.113 20 30 JIEDRN C=C(Cl)Cn1c(-c2ccc(F)cc2Br)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 ZINC001359146109 1068858142 /nfs/dbraw/zinc/85/81/42/1068858142.db2.gz NLTBKPVOLHPJHT-YRVVQQKDSA-N 0 0 485.785 4.372 20 30 JIEDRN C=C(C)[C@@H](CC(=O)Nc1sc2c(c1C(=O)OC)CCN(C(=O)OC(C)(C)C)C2)OCC ZINC001354042574 1068858611 /nfs/dbraw/zinc/85/86/11/1068858611.db2.gz GILAAROZIGEDKE-OAHLLOKOSA-N 0 0 452.573 4.138 20 30 JIEDRN C=C(Cl)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001359146584 1068858810 /nfs/dbraw/zinc/85/88/10/1068858810.db2.gz CLRUCMSDVDLYFX-UHFFFAOYSA-N 0 0 477.993 4.162 20 30 JIEDRN C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H](C(=O)NCCCC)CC[C@H]1C ZINC001359146358 1068858871 /nfs/dbraw/zinc/85/88/71/1068858871.db2.gz WGTQLCNBZUBQPP-WBVHZDCISA-N 0 0 451.402 4.267 20 30 JIEDRN COc1ccccc1-c1nnc(N2CC[C@](F)(C#N)C2)n1CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001300492758 1068858852 /nfs/dbraw/zinc/85/88/52/1068858852.db2.gz UJSREMADVWVMEM-CJAUYULYSA-N 0 0 484.576 4.043 20 30 JIEDRN C=C(Cl)Cn1c(-c2cccc3cccnc32)nnc1N1CCCN(CC(F)(F)F)CC1 ZINC001359146957 1068859134 /nfs/dbraw/zinc/85/91/34/1068859134.db2.gz OZFMKVDZUFAAOT-UHFFFAOYSA-N 0 0 450.896 4.320 20 30 JIEDRN C=C(Cl)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N(C)[C@@H]1CCCc2c1cnn2C ZINC001359147010 1068859466 /nfs/dbraw/zinc/85/94/66/1068859466.db2.gz QKJVNXRTJFVJNG-GOSISDBHSA-N 0 0 456.978 4.352 20 30 JIEDRN C=C(Cl)Cn1c(-c2ccccc2Br)nnc1N1CCN(Cc2cscn2)CC1 ZINC001359147409 1068859782 /nfs/dbraw/zinc/85/97/82/1068859782.db2.gz FVGWWFLKDHORAS-UHFFFAOYSA-N 0 0 479.835 4.239 20 30 JIEDRN C=C(Cl)Cn1c(-c2ccccc2Br)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 ZINC001359147675 1068859837 /nfs/dbraw/zinc/85/98/37/1068859837.db2.gz OZWJDEHIQUYLFI-UHFFFAOYSA-N 0 0 499.862 4.398 20 30 JIEDRN C=C(Cl)Cn1c(-c2ccccc2Br)nnc1N1CCC(Nc2cccnn2)CC1 ZINC001359147978 1068860212 /nfs/dbraw/zinc/86/02/12/1068860212.db2.gz ZPCOVTHKOPGKBZ-UHFFFAOYSA-N 0 0 474.794 4.331 20 30 JIEDRN C=C(Cl)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 ZINC001359148650 1068860232 /nfs/dbraw/zinc/86/02/32/1068860232.db2.gz XGVUXWCYRRYUCP-OAHLLOKOSA-N 0 0 452.912 4.262 20 30 JIEDRN C=C(Cl)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(CC)Cc1ccc(OC)cc1 ZINC001359149223 1068860893 /nfs/dbraw/zinc/86/08/93/1068860893.db2.gz RWIMMZAQRISANL-UHFFFAOYSA-N 0 0 475.018 4.026 20 30 JIEDRN C=C(Cl)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 ZINC001359149387 1068860988 /nfs/dbraw/zinc/86/09/88/1068860988.db2.gz XXQMFSQCZDKDLX-SFHVURJKSA-N 0 0 468.989 4.341 20 30 JIEDRN C=C(Cl)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](OCC(C)C)C1 ZINC001359149907 1068861380 /nfs/dbraw/zinc/86/13/80/1068861380.db2.gz LJKDWHMQYOGJEJ-RTBURBONSA-N 0 0 468.042 4.396 20 30 JIEDRN C=C(Cl)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](CNC(=O)Nc2ccc(C)cc2)C1 ZINC001359150788 1068862099 /nfs/dbraw/zinc/86/20/99/1068862099.db2.gz GRJREFAMLJMVKD-VQTJNVASSA-N 0 0 473.021 4.271 20 30 JIEDRN C=C(Cl)Cn1c(Cc2ccncc2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)[C@H](CC)C1 ZINC001359152978 1068863648 /nfs/dbraw/zinc/86/36/48/1068863648.db2.gz PDUPMEMVKXKOGG-MOPGFXCFSA-N 0 0 461.010 4.146 20 30 JIEDRN C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N1CCC(O)(Cc2cccc(C)c2)CC1 ZINC001359153585 1068863712 /nfs/dbraw/zinc/86/37/12/1068863712.db2.gz LGYCEGFCANQYKY-UHFFFAOYSA-N 0 0 458.031 4.269 20 30 JIEDRN C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC001359153785 1068863981 /nfs/dbraw/zinc/86/39/81/1068863981.db2.gz RIEKNHALCXOHQG-SFHVURJKSA-N 0 0 451.930 4.242 20 30 JIEDRN C=C(Cl)Cn1c(Cn2nc(C)cc2C)nnc1N(C)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC001359154021 1068864009 /nfs/dbraw/zinc/86/40/09/1068864009.db2.gz BFXRAWJHYVONFJ-GGAORHGYSA-N 0 0 455.006 4.496 20 30 JIEDRN C=C(Cl)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCO[C@H](Cn2cccn2)C1 ZINC001359154249 1068864459 /nfs/dbraw/zinc/86/44/59/1068864459.db2.gz JBOJDQAARNGVDQ-FQEVSTJZSA-N 0 0 491.423 4.106 20 30 JIEDRN C=C(Cl)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CC[C@@H](N2CCCC2=O)C1 ZINC001359154529 1068864702 /nfs/dbraw/zinc/86/47/02/1068864702.db2.gz SBEQUJCGVGXSKE-LJQANCHMSA-N 0 0 478.424 4.205 20 30 JIEDRN C=C(Cl)Cn1c(CNC(=O)c2cccs2)nnc1N(C)Cc1ccccc1N1CCCC1 ZINC001359155198 1068865506 /nfs/dbraw/zinc/86/55/06/1068865506.db2.gz PEEGGFMVGFJJKM-UHFFFAOYSA-N 0 0 471.030 4.259 20 30 JIEDRN C=C(Cl)Cn1c(N(C)CC(=O)Nc2c(C)cc(C)cc2C)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001359156281 1068867622 /nfs/dbraw/zinc/86/76/22/1068867622.db2.gz AMROPLYLTYWIDT-XMMPIXPASA-N 0 0 476.021 4.071 20 30 JIEDRN C=C(Cl)Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCC(O)(c2ccccc2)CC1 ZINC001359156927 1068868412 /nfs/dbraw/zinc/86/84/12/1068868412.db2.gz TUKRSEFXDVMICN-PUZFROQSSA-N 0 0 488.032 4.289 20 30 JIEDRN C=C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCNC(=O)c2cccs2)CC1 ZINC001359158998 1068870309 /nfs/dbraw/zinc/87/03/09/1068870309.db2.gz KFVLHWIRYUUTOQ-KRWDZBQOSA-N 0 0 455.559 4.205 20 30 JIEDRN C=C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCNC(=O)c2cccs2)CC1 ZINC001359158999 1068870337 /nfs/dbraw/zinc/87/03/37/1068870337.db2.gz KFVLHWIRYUUTOQ-QGZVFWFLSA-N 0 0 455.559 4.205 20 30 JIEDRN C=C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2Cc2ccc(OC)nc2OC)CC1 ZINC001359159067 1068870341 /nfs/dbraw/zinc/87/03/41/1068870341.db2.gz MDTCVJCXJNHRQS-QGZVFWFLSA-N 0 0 453.518 4.174 20 30 JIEDRN C=C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC2(S(C)(=O)=O)CCCC2)CC1 ZINC001359159915 1068870734 /nfs/dbraw/zinc/87/07/34/1068870734.db2.gz IGPBGMRFPWSXBN-SFHVURJKSA-N 0 0 462.591 4.071 20 30 JIEDRN C=C1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CCCc2cccc(C)n2)CC1 ZINC001359160808 1068871387 /nfs/dbraw/zinc/87/13/87/1068871387.db2.gz FCFMJYNQKZWSST-UHFFFAOYSA-N 0 0 463.582 4.464 20 30 JIEDRN C=C1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2cccc(COCC(F)(F)F)c2)CC1 ZINC001359160627 1068871450 /nfs/dbraw/zinc/87/14/50/1068871450.db2.gz YYYPIEGTTAVKAT-QHCPKHFHSA-N 0 0 480.531 4.214 20 30 JIEDRN C=C1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H](Cc2ccccc2)OC)CC1 ZINC001359161048 1068872160 /nfs/dbraw/zinc/87/21/60/1068872160.db2.gz 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C=C(Br)Cn1c(-c2ccccc2Cl)nnc1N(C)Cc1ncnn1CC(F)F ZINC001359080276 1068750355 /nfs/dbraw/zinc/75/03/55/1068750355.db2.gz LYQAJEFRUQYELR-UHFFFAOYSA-N 0 0 472.725 4.000 20 30 JIEDRN C=C(Br)Cn1c(-c2ccccc2)nnc1N1C[C@@H](C(=O)NCCCC)CC[C@@H]1C ZINC001359080574 1068750931 /nfs/dbraw/zinc/75/09/31/1068750931.db2.gz WWWJEQHBVNWKLZ-HKUYNNGSSA-N 0 0 460.420 4.375 20 30 JIEDRN C=C(Br)Cn1c(-c2ccccc2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F ZINC001359080663 1068751491 /nfs/dbraw/zinc/75/14/91/1068751491.db2.gz ZKZDQKCXMBDRLF-UHFFFAOYSA-N 0 0 455.282 4.242 20 30 JIEDRN C=C(Br)Cn1c(-c2ccc(OC)cc2)nnc1N1C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001359080680 1068751520 /nfs/dbraw/zinc/75/15/20/1068751520.db2.gz ZUTXUWZOGBKFTL-KSSFIOAISA-N 0 0 492.418 4.212 20 30 JIEDRN C=C(Br)Cn1c(-c2ccccc2F)nnc1N1C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001359080726 1068752008 /nfs/dbraw/zinc/75/20/08/1068752008.db2.gz BESKRBCBGOJPRN-CXAGYDPISA-N 0 0 480.382 4.342 20 30 JIEDRN C=C(Br)Cn1c(-c2ccccc2F)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 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JIEDRN C=C(Br)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@H]1CCCOC1 ZINC001359088915 1068778058 /nfs/dbraw/zinc/77/80/58/1068778058.db2.gz XNMKMXSNKLKVRJ-SJORKVTESA-N 0 0 484.439 4.122 20 30 JIEDRN C=C(Br)Cn1c([C@H]2CCCO2)nnc1N(Cc1ccc(OC)cc1OC)CC1CC1 ZINC001359089059 1068778501 /nfs/dbraw/zinc/77/85/01/1068778501.db2.gz AROKVYZEMKCMBO-LJQANCHMSA-N 0 0 477.403 4.472 20 30 JIEDRN C=C(Br)Cn1c(N2CCC(C)(NC(=O)OC(C)(C)C)CC2)nnc1C(C)(C)C ZINC001359089007 1068778647 /nfs/dbraw/zinc/77/86/47/1068778647.db2.gz ZUDVACRKFMMHCR-UHFFFAOYSA-N 0 0 456.429 4.368 20 30 JIEDRN C#CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C ZINC001300457760 1068782194 /nfs/dbraw/zinc/78/21/94/1068782194.db2.gz JBLRYQLRMKSEHT-HBMCJLEFSA-N 0 0 473.662 4.303 20 30 JIEDRN C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CC(C)(OC)C1 ZINC001359090846 1068784697 /nfs/dbraw/zinc/78/46/97/1068784697.db2.gz HADWZODMQILONF-IPJJNNNSSA-N 0 0 456.587 4.023 20 30 JIEDRN 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