smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)CCN(Cc1ccc(F)cc1F)C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 ZINC001435064805 1064484312 /nfs/dbraw/zinc/48/43/12/1064484312.db2.gz QKZRHQOLWUFANE-UHFFFAOYSA-N 0 3 453.464 4.972 20 30 JJEDHN CN(C(=O)c1ccc(NC(=O)c2ccccc2-c2ccccc2C#N)cc1)[C@H]1CCCN(C)C1 ZINC001435188234 1064577224 /nfs/dbraw/zinc/57/72/24/1064577224.db2.gz BZNPLBMHPQKNFP-QHCPKHFHSA-N 0 3 452.558 4.644 20 30 JJEDHN CC(C)n1c2ccc(C(=O)N(CCN(C)C)Cc3cccc(C#N)c3)cc2nc1C(F)(F)F ZINC001360035114 1064840174 /nfs/dbraw/zinc/84/01/74/1064840174.db2.gz IUBAEOPFNAPYHC-UHFFFAOYSA-N 0 3 457.500 4.712 20 30 JJEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(Br)cc1C(F)(F)F ZINC001360035999 1064842256 /nfs/dbraw/zinc/84/22/56/1064842256.db2.gz ZBTRKPVIQFXFLQ-UHFFFAOYSA-N 0 3 454.290 4.544 20 30 JJEDHN C[C@@H](CC#N)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H](c1cccs1)N(C)C ZINC001360470902 1065389725 /nfs/dbraw/zinc/38/97/25/1065389725.db2.gz XDYBMKIYBVBTBE-MAUKXSAKSA-N 0 3 460.554 4.649 20 30 JJEDHN C=CCOc1ccc(Br)cc1NC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC001436641145 1065412919 /nfs/dbraw/zinc/41/29/19/1065412919.db2.gz CDRFAOPQPDCUAJ-UHFFFAOYSA-N 0 3 458.400 4.797 20 30 JJEDHN N#Cc1ccc(Oc2ccc(NC(=O)C(C[C@@H]3COCCO3)C(F)(F)F)cc2Cl)cc1 ZINC001441994730 1066084773 /nfs/dbraw/zinc/08/47/73/1066084773.db2.gz QVMRQNWPMXIWGE-SJORKVTESA-N 0 3 454.832 4.926 20 30 JJEDHN CN(C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)C1CCN(CCc2ccccn2)CC1 ZINC001443012376 1066252855 /nfs/dbraw/zinc/25/28/55/1066252855.db2.gz OCCBBWJYKCLYFC-UHFFFAOYSA-N 0 3 458.537 4.664 20 30 JJEDHN Cc1cc(C#N)ccc1Oc1ccc(C(=O)NCc2ccccc2CN2CCC(O)CC2)cc1 ZINC001444741965 1066500183 /nfs/dbraw/zinc/50/01/83/1066500183.db2.gz HPDNZAFRHLUSHA-UHFFFAOYSA-N 0 3 455.558 4.546 20 30 JJEDHN C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)CCC ZINC001449271982 1066994660 /nfs/dbraw/zinc/99/46/60/1066994660.db2.gz ZESZXSIWNCATJD-MOPGFXCFSA-N 0 3 458.430 4.875 20 30 JJEDHN CCC(CC)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCC[C@H](C)C1)N1CCOCC1 ZINC001545807893 1067129645 /nfs/dbraw/zinc/12/96/45/1067129645.db2.gz PFAZAKSTDZDPQA-BYXVTNLJSA-N 0 3 478.685 4.969 20 30 JJEDHN CC(C)(C)OC(=O)NCCN(CCC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccccc1 ZINC001459912487 1067487334 /nfs/dbraw/zinc/48/73/34/1067487334.db2.gz KVAQSVWBLGUNBW-UHFFFAOYSA-N 0 3 456.974 4.567 20 30 JJEDHN C=CCOc1c(Br)cc(CN[C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1OCC ZINC001461620187 1067902855 /nfs/dbraw/zinc/90/28/55/1067902855.db2.gz JDGWPZVEEQIKBT-INIZCTEOSA-N 0 3 455.393 4.512 20 30 JJEDHN C=CCOc1c(Br)cc(CN[C@@H](C)CN(C)C(=O)OC(C)(C)C)cc1OCC ZINC001461654364 1067910908 /nfs/dbraw/zinc/91/09/08/1067910908.db2.gz FOQUWHFNAUJRKH-HNNXBMFYSA-N 0 3 457.409 4.758 20 30 JJEDHN Cn1cc(CN2CC[C@@H]3CN(c4ncc(C#N)c5sc(-c6ccccc6)cc54)C[C@@H]3C2)cn1 ZINC001164763296 721143141 /nfs/dbraw/zinc/14/31/41/721143141.db2.gz FASRWQVVNIMUTC-IRLDBZIGSA-N 0 3 454.603 4.527 20 30 JJEDHN Cn1cc(CN2CC[C@H]3CN(c4ncc(C#N)c5sc(-c6ccccc6)cc54)C[C@H]3C2)cn1 ZINC001164763300 721144782 /nfs/dbraw/zinc/14/47/82/721144782.db2.gz FASRWQVVNIMUTC-RBBKRZOGSA-N 0 3 454.603 4.527 20 30 JJEDHN CN(Cc1ccc(C#N)cc1)c1c2c(cnc1Cl)C1(CCN(Cc3ccccc3)CC1)OC2=O ZINC001165018345 721837193 /nfs/dbraw/zinc/83/71/93/721837193.db2.gz XPYLAMPEMWEXKS-UHFFFAOYSA-N 0 3 472.976 4.905 20 30 JJEDHN CC(C)c1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C ZINC001359712470 1064261022 /nfs/dbraw/zinc/26/10/22/1064261022.db2.gz UGJHWJIYQBQWTN-DQEYMECFSA-N 0 3 478.685 4.827 20 30 JJEDHN C[C@H](CC#N)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H](c1cccs1)N(C)C ZINC001360470901 1065389698 /nfs/dbraw/zinc/38/96/98/1065389698.db2.gz XDYBMKIYBVBTBE-CRAIPNDOSA-N 0 3 460.554 4.649 20 30 JJEDHN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCC(CC#N)CC2)n1CCN1CCCCC1 ZINC001360757770 1065820676 /nfs/dbraw/zinc/82/06/76/1065820676.db2.gz HVQSNAFMQPNCEF-LJQANCHMSA-N 0 3 457.022 4.687 20 30 JJEDHN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC(CC#N)CC2)n1CCN1CCCCC1 ZINC001360757769 1065820819 /nfs/dbraw/zinc/82/08/19/1065820819.db2.gz HVQSNAFMQPNCEF-IBGZPJMESA-N 0 3 457.022 4.687 20 30 JJEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc2c([nH]1)c(Cl)ccc2Br ZINC001441659905 1066058634 /nfs/dbraw/zinc/05/86/34/1066058634.db2.gz UEVDCSIFVHDZGM-UHFFFAOYSA-N 0 3 459.775 4.659 20 30 JJEDHN C[C@@H]1CN(CCCCNC(=O)c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)C[C@@H](C)O1 ZINC001445344745 1066560487 /nfs/dbraw/zinc/56/04/87/1066560487.db2.gz FVZFHKLMIKFTII-ZIAGYGMSSA-N 0 3 458.418 4.595 20 30 JJEDHN N#CCSc1ccccc1C(=O)Nc1cccc(N2CCN(CCc3ccccc3)CC2)c1 ZINC001446824492 1066744981 /nfs/dbraw/zinc/74/49/81/1066744981.db2.gz NJIPXDMRZMVPTO-UHFFFAOYSA-N 0 3 456.615 4.919 20 30 JJEDHN CC(C)(O)CN1CCc2c(cccc2NC(=O)c2cccc(COc3ccccc3C#N)c2)C1 ZINC001447566875 1066823258 /nfs/dbraw/zinc/82/32/58/1066823258.db2.gz HNSOTZYMFPNRQE-UHFFFAOYSA-N 0 3 455.558 4.519 20 30 JJEDHN C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)CCC ZINC001449271989 1066994552 /nfs/dbraw/zinc/99/45/52/1066994552.db2.gz ZESZXSIWNCATJD-OALUTQOASA-N 0 3 458.430 4.875 20 30 JJEDHN COc1cccc(CN2CCC(NC(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)CC2)c1 ZINC001453143305 1067283110 /nfs/dbraw/zinc/28/31/10/1067283110.db2.gz KJYUZJFUYYOSKX-UHFFFAOYSA-N 0 3 459.521 4.893 20 30 JJEDHN CCCCc1ccc([C@H](NCC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C(C)C)cc1 ZINC001459847489 1067453103 /nfs/dbraw/zinc/45/31/03/1067453103.db2.gz ZVUFDWBATQEYGJ-JYFHCDHNSA-N 0 3 452.668 4.786 20 30 JJEDHN CCCCc1ccc([C@@H](NCC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C(C)C)cc1 ZINC001459847488 1067453154 /nfs/dbraw/zinc/45/31/54/1067453154.db2.gz ZVUFDWBATQEYGJ-BVAGGSTKSA-N 0 3 452.668 4.786 20 30 JJEDHN C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)CCCN1CCN(c2ccccc2)CC1 ZINC001461064071 1067773870 /nfs/dbraw/zinc/77/38/70/1067773870.db2.gz FCWLOYNPVANSFI-FQEVSTJZSA-N 0 3 458.528 4.548 20 30 JJEDHN CCN(CC)CCN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(CC#N)cc1 ZINC001462948791 1068225677 /nfs/dbraw/zinc/22/56/77/1068225677.db2.gz VNQNXMKPIPPCFF-UHFFFAOYSA-N 0 3 454.423 4.592 20 30 JJEDHN C=CCOc1cccc(NS(=O)(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2c2ccc(F)cc2)c1 ZINC001463390280 1068381889 /nfs/dbraw/zinc/38/18/89/1068381889.db2.gz IFQITIIUZNKEDY-IZZNHLLZSA-N 0 3 466.578 4.800 20 30 JJEDHN N#Cc1cc(F)cc(S(=O)(=O)N2CCCCC[C@H]2C2CCN(Cc3ccccc3)CC2)c1 ZINC001463837481 1068542449 /nfs/dbraw/zinc/54/24/49/1068542449.db2.gz XQRHTZKXYKZPNI-VWLOTQADSA-N 0 3 455.599 4.543 20 30 JJEDHN N#Cc1ccccc1COc1ccc(C(=O)N2CCCN(CCCc3ccccc3)CC2)cc1 ZINC001464662392 1068816043 /nfs/dbraw/zinc/81/60/43/1068816043.db2.gz DWGJLCLPJDZFAA-UHFFFAOYSA-N 0 3 453.586 4.918 20 30 JJEDHN CC(C)c1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1C[C@H]1CCCO[C@@H]1C(C)(C)C ZINC001359712473 1064260998 /nfs/dbraw/zinc/26/09/98/1064260998.db2.gz UGJHWJIYQBQWTN-RPBOFIJWSA-N 0 3 478.685 4.827 20 30 JJEDHN CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 ZINC001435063801 1064482637 /nfs/dbraw/zinc/48/26/37/1064482637.db2.gz LQMUCRNCYKYOHP-UHFFFAOYSA-N 0 3 453.464 4.972 20 30 JJEDHN C=CCOc1ccc(Br)cc1NC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC001436641426 1065413023 /nfs/dbraw/zinc/41/30/23/1065413023.db2.gz NSFGDJBNAHZYNB-UHFFFAOYSA-N 0 3 458.400 4.555 20 30 JJEDHN CCN(CC)[C@@H](CNC(=O)c1ccn(-c2cccc(C#N)c2)n1)c1ccc(C(F)(F)F)cc1 ZINC001442313276 1066115875 /nfs/dbraw/zinc/11/58/75/1066115875.db2.gz YGELBVJSMBRDIU-QFIPXVFZSA-N 0 3 455.484 4.576 20 30 JJEDHN COc1ccc([C@H](CN2CCCC2)NC(=O)c2ccc(OCc3ccccc3C#N)cc2)cc1 ZINC001446354966 1066695494 /nfs/dbraw/zinc/69/54/94/1066695494.db2.gz QJXBCGPONUTDPW-MHZLTWQESA-N 0 3 455.558 4.713 20 30 JJEDHN Cc1cccc(N2CCN(CCCCNc3nc4c(c(C#N)c3C#N)CCCCCC4)CC2)c1 ZINC001458095759 1066973797 /nfs/dbraw/zinc/97/37/97/1066973797.db2.gz HXPALCKQJARPCV-UHFFFAOYSA-N 0 3 456.638 4.807 20 30 JJEDHN CCC(CC)[C@@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC(C)(C#N)CC1)N1CCOCC1 ZINC001545807865 1067129485 /nfs/dbraw/zinc/12/94/85/1067129485.db2.gz OZUIRTMSVKKWFK-HSZRJFAPSA-N 0 3 485.076 4.866 20 30 JJEDHN CC(C)(C)OC(=O)NC[C@@H](NCCC(=O)Nc1cccc(C#N)c1)c1ccc2ccccc2c1 ZINC001459848219 1067453571 /nfs/dbraw/zinc/45/35/71/1067453571.db2.gz GOEAFLSYCKAZSK-XMMPIXPASA-N 0 3 458.562 4.896 20 30 JJEDHN Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)CN[C@@H](C)c2cccc(-n3cccn3)c2)c1C#N ZINC001459861983 1067461932 /nfs/dbraw/zinc/46/19/32/1067461932.db2.gz TZNFHLXMJONKMJ-SFHVURJKSA-N 0 3 456.525 4.580 20 30 JJEDHN CC(C)C[C@H]1CN(CCCc2ccccc2)CCN1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC001460146653 1067564652 /nfs/dbraw/zinc/56/46/52/1067564652.db2.gz UWYASFLYDQYCLE-DEOSSOPVSA-N 0 3 453.030 4.815 20 30 JJEDHN O=C(NCCNCc1ccc(Cl)cc1Oc1ccc(Cl)c(F)c1)C1N=CC=CC1=O ZINC001461193040 1067796290 /nfs/dbraw/zinc/79/62/90/1067796290.db2.gz UKJQACKMJBSNOX-MRCUWXFGSA-N 0 3 450.297 4.541 20 30 JJEDHN C=CCOc1c(Br)cc(CNC[C@H]2COC3(CCCCCC3)O2)cc1OCC ZINC001461389941 1067844932 /nfs/dbraw/zinc/84/49/32/1067844932.db2.gz LHBIRDUNRWAUBF-SFHVURJKSA-N 0 3 454.405 4.968 20 30 JJEDHN COc1cc(CN[C@@H](CCCC#N)c2ccccc2)cc(I)c1OC ZINC001461537409 1067883702 /nfs/dbraw/zinc/88/37/02/1067883702.db2.gz JOUOJYAFRMFTIG-SFHVURJKSA-N 0 3 450.320 4.833 20 30 JJEDHN C=CC1(CC(=O)N(CCC)[C@@H]2CCCN(Cc3ccccc3)C2)CN(C(=O)OC(C)(C)C)C1 ZINC001464671974 1068819514 /nfs/dbraw/zinc/81/95/14/1068819514.db2.gz CVKGHFYCTAOHPJ-HSZRJFAPSA-N 0 3 455.643 4.703 20 30 JJEDHN Cc1nc(C#Cc2ccnc(N3CC[C@H]4[C@@H]3CCN4Cc3cccnc3)c2)c(C)n1-c1ccc(F)cc1 ZINC001164722598 720383131 /nfs/dbraw/zinc/38/31/31/720383131.db2.gz DPDBYUKMRCPSIA-VMPREFPWSA-N 0 3 492.602 4.671 20 30 JJEDHN Cc1cnc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)c(C#C[Si](C)(C)C)c1 ZINC001164908088 721717133 /nfs/dbraw/zinc/71/71/33/721717133.db2.gz VNZSDTTYLQZGIT-DEOSSOPVSA-N 0 3 454.641 4.752 20 30 JJEDHN N#CCc1ccc(OCc2ccc(N3CCC(F)(F)[C@@]4(CCN(Cc5ccccn5)C4)C3)nc2)cc1 ZINC001164909139 721725113 /nfs/dbraw/zinc/72/51/13/721725113.db2.gz CGYDXAQDJMAMEM-HHHXNRCGSA-N 0 3 489.570 4.859 20 30 JJEDHN CC(C)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](c2cccs2)N(C)C)C1 ZINC001359745914 1064321410 /nfs/dbraw/zinc/32/14/10/1064321410.db2.gz UPQUMPXXCVIYHV-IRLDBZIGSA-N 0 3 464.639 4.575 20 30 JJEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)Cc1csc2ccc(Br)cc12 ZINC001435076403 1064499088 /nfs/dbraw/zinc/49/90/88/1064499088.db2.gz ASWDAPSBHXZRSY-UHFFFAOYSA-N 0 3 456.409 4.668 20 30 JJEDHN CC(C)CCN(CCC#N)c1nnc(C(C)(C)C)n1C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC001359926530 1064659363 /nfs/dbraw/zinc/65/93/63/1064659363.db2.gz RHXPNZVRWMSJNQ-XMMPIXPASA-N 0 3 466.674 4.633 20 30 JJEDHN CC(=O)Nc1ccc(CN2CCC(Nc3nc4c(c(C#N)c3C#N)CCCCCC4)CC2)cc1 ZINC001458386249 1067047980 /nfs/dbraw/zinc/04/79/80/1067047980.db2.gz RPIOSNBUJXHQCO-UHFFFAOYSA-N 0 3 456.594 4.519 20 30 JJEDHN CCC(CC)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C(C)(C)C)C1)N1CCOCC1 ZINC001545807145 1067124148 /nfs/dbraw/zinc/12/41/48/1067124148.db2.gz BKNOAIJSYLFODP-DQEYMECFSA-N 0 3 478.685 4.826 20 30 JJEDHN CCC(CC)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC1CCCC1)N1CCOCC1 ZINC001545807436 1067126194 /nfs/dbraw/zinc/12/61/94/1067126194.db2.gz HWJQHCNSJGTWGH-VWLOTQADSA-N 0 3 464.658 4.580 20 30 JJEDHN CCCN(CC(=O)Nc1c(C#N)c(C)c(C)n1-c1cccc(F)c1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC001459538556 1067347656 /nfs/dbraw/zinc/34/76/56/1067347656.db2.gz GJHOWQJFGCDVNJ-HUVFLSCGSA-N 0 3 452.574 4.569 20 30 JJEDHN Cc1ccc(N(CCC#N)C(=O)CN[C@H](CNC(=O)OC(C)(C)C)C2CCCCC2)cc1C ZINC001459833173 1067444771 /nfs/dbraw/zinc/44/47/71/1067444771.db2.gz IYCGAOHZBRRICZ-HSZRJFAPSA-N 0 3 456.631 4.613 20 30 JJEDHN Cc1ccc(N(CCC#N)C(=O)CN[C@@H](CNC(=O)OC(C)(C)C)C2CCCCC2)cc1C ZINC001459833174 1067444930 /nfs/dbraw/zinc/44/49/30/1067444930.db2.gz IYCGAOHZBRRICZ-QHCPKHFHSA-N 0 3 456.631 4.613 20 30 JJEDHN COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN[C@@H](CCCC#N)c2ccccc2)cc1 ZINC001460168734 1067568651 /nfs/dbraw/zinc/56/86/51/1067568651.db2.gz IRNZCBZRYCHDLP-VWLOTQADSA-N 0 3 455.562 4.938 20 30 JJEDHN COc1cc(CN2C[C@@H](C)C[C@H](C(=O)OC(C)(C)C)C2)ccc1OCc1cccc(C#N)c1 ZINC001460254357 1067591880 /nfs/dbraw/zinc/59/18/80/1067591880.db2.gz FGVYKVUQQDHBDX-CVDCTZTESA-N 0 3 450.579 4.946 20 30 JJEDHN COc1cc(CN2C[C@H](C)C[C@@H](C(=O)OC(C)(C)C)C2)ccc1OCc1cccc(C#N)c1 ZINC001460254347 1067591952 /nfs/dbraw/zinc/59/19/52/1067591952.db2.gz FGVYKVUQQDHBDX-AUSIDOKSSA-N 0 3 450.579 4.946 20 30 JJEDHN N#Cc1ccc(CS(=O)(=O)N2CCCCC[C@@H]2C2CCN(Cc3ccccc3)CC2)cc1 ZINC001463834291 1068541068 /nfs/dbraw/zinc/54/10/68/1068541068.db2.gz LPCMTHYIAYLILG-AREMUKBSSA-N 0 3 451.636 4.545 20 30 JJEDHN N#Cc1c(F)cccc1S(=O)(=O)N1CCCCC[C@@H]1C1CCN(Cc2ccccc2)CC1 ZINC001463835595 1068541698 /nfs/dbraw/zinc/54/16/98/1068541698.db2.gz OOOHSYRKHQXYOH-XMMPIXPASA-N 0 3 455.599 4.543 20 30 JJEDHN C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)cc1 ZINC001464475850 1068759965 /nfs/dbraw/zinc/75/99/65/1068759965.db2.gz SBCRTRZXHOEZJY-HSZRJFAPSA-N 0 3 453.533 4.597 20 30 JJEDHN CC(C)Cc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1C[C@@H]1CCSC1(C)C ZINC001359841069 1064527563 /nfs/dbraw/zinc/52/75/63/1064527563.db2.gz AGLQUDAQTZMCJB-QHCPKHFHSA-N 0 3 466.699 4.592 20 30 JJEDHN COc1ccc([C@@H](CN2CCCC2)NC(=O)c2cccc(COc3ccccc3C#N)c2)cc1 ZINC001545890808 1064744465 /nfs/dbraw/zinc/74/44/65/1064744465.db2.gz LFIVUZXXZYVOFT-AREMUKBSSA-N 0 3 455.558 4.713 20 30 JJEDHN CC(C)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC2CC(OC(C)(C)C)C2)CC1 ZINC001360017324 1064816704 /nfs/dbraw/zinc/81/67/04/1064816704.db2.gz CLVXZODPKKDYHN-UHFFFAOYSA-N 0 3 464.658 4.579 20 30 JJEDHN C#CCN(C(=O)c1ccc(NC2=NCCC2)cc1)[C@H]1CCOc2ccc(Br)cc21 ZINC001444125905 1066409389 /nfs/dbraw/zinc/40/93/89/1066409389.db2.gz VDYNGHMVBLCOLE-FQEVSTJZSA-N 0 3 452.352 4.653 20 30 JJEDHN N#Cc1ccccc1Sc1ccc(C(=O)NCc2ccccc2CN2CCC(O)CC2)cc1 ZINC001444756149 1066501800 /nfs/dbraw/zinc/50/18/00/1066501800.db2.gz XPSHQXUFWMRUSR-UHFFFAOYSA-N 0 3 457.599 4.596 20 30 JJEDHN O=C1c2ccccc2C(=O)N1CC#CCN1CCC(CCc2cccc(C(F)(F)F)c2)CC1 ZINC001459317538 1067292735 /nfs/dbraw/zinc/29/27/35/1067292735.db2.gz LLHPZQFJWCSTBF-UHFFFAOYSA-N 0 3 454.492 4.650 20 30 JJEDHN C[C@@H]1CCc2c(C#N)c(NC(=O)CCN3C[C@H](C)N(Cc4ccccc4)C[C@H]3C)sc2C1 ZINC001459771907 1067415631 /nfs/dbraw/zinc/41/56/31/1067415631.db2.gz OGBNXXDGVXJLHD-AQNXPRMDSA-N 0 3 450.652 4.668 20 30 JJEDHN CC(C)C[C@@H](NCC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 ZINC001459842301 1067449678 /nfs/dbraw/zinc/44/96/78/1067449678.db2.gz GWPZENIWIGMCJM-RPWUZVMVSA-N 0 3 456.993 4.565 20 30 JJEDHN COc1ccc(C[C@H](N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c2ccc(OC)cc2)cc1 ZINC001459862628 1067462503 /nfs/dbraw/zinc/46/25/03/1067462503.db2.gz DLHMUWKBUZOGII-SVBPBHIXSA-N 0 3 455.558 4.644 20 30 JJEDHN Cc1c(C)n(-c2ccccc2)c(NC(=O)CN[C@@H](CN2CCCCC2)c2ccccc2)c1C#N ZINC001459939686 1067500139 /nfs/dbraw/zinc/50/01/39/1067500139.db2.gz YYWLVOBBNPEURS-SANMLTNESA-N 0 3 455.606 4.721 20 30 JJEDHN Cc1c(C)n(-c2ccccc2)c(NC(=O)CN[C@H]2C[C@@H](OCc3ccccc3)C2(C)C)c1C#N ZINC001460119265 1067559077 /nfs/dbraw/zinc/55/90/77/1067559077.db2.gz GSNURBJJEVCESC-LOSJGSFVSA-N 0 3 456.590 4.878 20 30 JJEDHN C[C@@H]1CN(CC(=O)Nc2sc3c(c2C#N)CCCCC3)[C@H](C)[C@H](C)N1Cc1ccccc1 ZINC001460341382 1067611979 /nfs/dbraw/zinc/61/19/79/1067611979.db2.gz GUIJFGFBGPEECJ-AQNXPRMDSA-N 0 3 450.652 4.810 20 30 JJEDHN CC1(C)CC[C@H](CN(CCOC(F)(F)C(F)(F)F)CCOC(F)(F)C(F)(F)F)O1 ZINC001460763904 1067718827 /nfs/dbraw/zinc/71/88/27/1067718827.db2.gz MSJADWJVOJBRGW-SNVBAGLBSA-N 0 3 453.317 4.589 20 30 JJEDHN C=CCOc1c(Br)cc(CN[C@H](C)CN(C)C(=O)OC(C)(C)C)cc1OCC ZINC001461654371 1067910894 /nfs/dbraw/zinc/91/08/94/1067910894.db2.gz FOQUWHFNAUJRKH-OAHLLOKOSA-N 0 3 457.409 4.758 20 30 JJEDHN C=CC[C@H]1CCCN(S(=O)(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)C1 ZINC001464033766 1068595110 /nfs/dbraw/zinc/59/51/10/1068595110.db2.gz JZTZMIPJRUJBGD-KSNOWIBYSA-N 0 3 459.055 4.926 20 30 JJEDHN Cc1nc(C#Cc2ccnc(N3CC[C@H]4[C@H]3CCN4Cc3cccnc3)c2)c(C)n1-c1ccc(F)cc1 ZINC001164722596 720383089 /nfs/dbraw/zinc/38/30/89/720383089.db2.gz DPDBYUKMRCPSIA-URLMMPGGSA-N 0 3 492.602 4.671 20 30 JJEDHN Cn1cc(CN2CC[C@H]3CN(c4ncc(C#N)c5sc(-c6ccccc6)cc54)C[C@@H]3C2)cn1 ZINC001164763304 721144316 /nfs/dbraw/zinc/14/43/16/721144316.db2.gz FASRWQVVNIMUTC-UNMCSNQZSA-N 0 3 454.603 4.527 20 30 JJEDHN N#Cc1cnc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c2cc(-c3ccccc3)sc21 ZINC001164975669 722122435 /nfs/dbraw/zinc/12/24/35/722122435.db2.gz KGACOUQFWGKANO-DHLKQENFSA-N 0 3 481.625 4.957 20 30 JJEDHN CC(C)CSCCn1c(C2CCC2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC001360083611 1064946017 /nfs/dbraw/zinc/94/60/17/1064946017.db2.gz MRVAAZRGDASTPD-UHFFFAOYSA-N 0 3 452.672 4.519 20 30 JJEDHN CC(C)SCCn1c(CC2CCCC2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC001360423346 1065290682 /nfs/dbraw/zinc/29/06/82/1065290682.db2.gz SSCLMTVYBMGASP-UHFFFAOYSA-N 0 3 466.699 4.736 20 30 JJEDHN Cc1ccc(C)c(OCc2nnc(N3CCC(CC#N)CC3)n2C[C@H](c2cccs2)N(C)C)c1 ZINC001361152733 1066447222 /nfs/dbraw/zinc/44/72/22/1066447222.db2.gz QAICVOWQDPNEDU-JOCHJYFZSA-N 0 3 478.666 4.968 20 30 JJEDHN CCC(CC)[C@H](CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CCCC2)CC1)OC ZINC001545798044 1067098397 /nfs/dbraw/zinc/09/83/97/1067098397.db2.gz FDBWNQMTHDGVLQ-VWLOTQADSA-N 0 3 464.658 4.723 20 30 JJEDHN CCC(CC)[C@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC(C)(C#N)CC1)N1CCOCC1 ZINC001545807866 1067129528 /nfs/dbraw/zinc/12/95/28/1067129528.db2.gz OZUIRTMSVKKWFK-QHCPKHFHSA-N 0 3 485.076 4.866 20 30 JJEDHN C=CC[C@@H]1CCCN(C(=O)CC2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)CC2)C1 ZINC001452997326 1067272608 /nfs/dbraw/zinc/27/26/08/1067272608.db2.gz DJYXWWWVKQBTBG-JOCHJYFZSA-N 0 3 455.643 4.751 20 30 JJEDHN CCCN(CC(=O)Nc1c(C#N)c(C)c(C)n1-c1cccc(F)c1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC001459538530 1067347479 /nfs/dbraw/zinc/34/74/79/1067347479.db2.gz GJHOWQJFGCDVNJ-AGILITTLSA-N 0 3 452.574 4.569 20 30 JJEDHN CC(C)C[C@@H](NCC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 ZINC001459842300 1067449526 /nfs/dbraw/zinc/44/95/26/1067449526.db2.gz GWPZENIWIGMCJM-DNQXCXABSA-N 0 3 456.993 4.565 20 30 JJEDHN COc1ccc(C[C@H](N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c2ccc(OC)cc2)cc1 ZINC001459862632 1067462481 /nfs/dbraw/zinc/46/24/81/1067462481.db2.gz DLHMUWKBUZOGII-SXOMAYOGSA-N 0 3 455.558 4.644 20 30 JJEDHN C#Cc1cccc(NC(=O)NC(=O)CN[C@](C)(CCCC)c2cccc(Br)c2)c1 ZINC001460049402 1067539407 /nfs/dbraw/zinc/53/94/07/1067539407.db2.gz HBZNXMJYDQDPQD-HSZRJFAPSA-N 0 3 456.384 4.774 20 30 JJEDHN CCOc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NCc2cc(C#N)ccc2OC)cc1 ZINC001460388220 1067624310 /nfs/dbraw/zinc/62/43/10/1067624310.db2.gz FUVJGOSUEJNUJT-ZEQRLZLVSA-N 0 3 465.594 4.848 20 30 JJEDHN CCN(C(=O)c1cccc(CNc2ncccc2C#N)c1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC001464398154 1068731460 /nfs/dbraw/zinc/73/14/60/1068731460.db2.gz IRQAUEURKHMFTI-QFQXNSOFSA-N 0 3 453.590 4.863 20 30 JJEDHN C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)cc1 ZINC001464475853 1068760209 /nfs/dbraw/zinc/76/02/09/1068760209.db2.gz SBCRTRZXHOEZJY-QHCPKHFHSA-N 0 3 453.533 4.597 20 30 JJEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1nc(-c2cccc(C(F)(F)F)c2)cs1 ZINC001464603201 1068796898 /nfs/dbraw/zinc/79/68/98/1068796898.db2.gz FYBHQADXTIEQFK-UHFFFAOYSA-N 0 3 458.509 4.905 20 30 JJEDHN N#Cc1cnc(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)c2cc(-c3ccccc3)sc21 ZINC001164864065 721095805 /nfs/dbraw/zinc/09/58/05/721095805.db2.gz DXKFKABBXXFPOM-DHIUTWEWSA-N 0 3 467.598 4.710 20 30 JJEDHN N#Cc1cc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)nc2ccc(Cl)cc12 ZINC001164909063 721733991 /nfs/dbraw/zinc/73/39/91/721733991.db2.gz ANZPTDLVXUEGMV-HSZRJFAPSA-N 0 3 453.924 4.893 20 30 JJEDHN N#Cc1c(Cl)nc2cccc(Cl)c2c1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164972649 722159516 /nfs/dbraw/zinc/15/95/16/722159516.db2.gz IUYFYOKYZHVSIV-UWJYYQICSA-N 0 3 468.388 4.536 20 30 JJEDHN CC(C)c1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CCCSc1nccs1 ZINC001359712022 1064260467 /nfs/dbraw/zinc/26/04/67/1064260467.db2.gz BRZJNBNUJRMMIZ-UHFFFAOYSA-N 0 3 481.695 4.624 20 30 JJEDHN Cc1cc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)nn1-c1ccc(Cl)c(Cl)c1 ZINC001435078214 1064500947 /nfs/dbraw/zinc/50/09/47/1064500947.db2.gz GJBODSUJMYOBDK-UHFFFAOYSA-N 0 3 456.377 4.563 20 30 JJEDHN N#Cc1cccc(COc2ccc(NC(=O)CCCN3CCN(c4ccccc4)CC3)cc2)c1 ZINC001359819186 1064503370 /nfs/dbraw/zinc/50/33/70/1064503370.db2.gz TWXBFQOMJKIMAG-UHFFFAOYSA-N 0 3 454.574 4.678 20 30 JJEDHN CC(C)CSCCCn1c(-c2cccn2C)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC001360077079 1064929606 /nfs/dbraw/zinc/92/96/06/1064929606.db2.gz YSOHIACQRKLYRY-UHFFFAOYSA-N 0 3 491.709 4.647 20 30 JJEDHN Cc1csc(SCc2ccc(C(=O)N(CCN(C)C)Cc3cccc(C#N)c3)cc2)n1 ZINC001442633435 1066146349 /nfs/dbraw/zinc/14/63/49/1066146349.db2.gz JQXHTOGBXACENN-UHFFFAOYSA-N 0 3 450.633 4.820 20 30 JJEDHN N#Cc1cc(N2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)nc2ccc([N+](=O)[O-])cc12 ZINC001458086638 1066971116 /nfs/dbraw/zinc/97/11/16/1066971116.db2.gz VHDXENCLHHGVCJ-UHFFFAOYSA-N 0 3 455.440 4.746 20 30 JJEDHN C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](c1ccc(Cl)cc1)N(C)CCC ZINC001449271993 1066994446 /nfs/dbraw/zinc/99/44/46/1066994446.db2.gz ZESZXSIWNCATJD-RBUKOAKNSA-N 0 3 458.430 4.875 20 30 JJEDHN CCC(CC)[C@@H](CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CCCC2)CC1)OC ZINC001545798043 1067098347 /nfs/dbraw/zinc/09/83/47/1067098347.db2.gz FDBWNQMTHDGVLQ-RUZDIDTESA-N 0 3 464.658 4.723 20 30 JJEDHN C=CCOc1ccc(CC(=O)N(Cc2ccccc2Br)C2CCN(C)CC2)cc1 ZINC001450697130 1067105290 /nfs/dbraw/zinc/10/52/90/1067105290.db2.gz DRZPBQYUOXOARG-UHFFFAOYSA-N 0 3 457.412 4.679 20 30 JJEDHN C=CC[C@H]1CCCN(C(=O)CC2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)CC2)C1 ZINC001452997330 1067272830 /nfs/dbraw/zinc/27/28/30/1067272830.db2.gz DJYXWWWVKQBTBG-QFIPXVFZSA-N 0 3 455.643 4.751 20 30 JJEDHN CCN(CC(=O)Nc1ccccc1SC[C@@H](C)C#N)CC1CCN(c2ccccn2)CC1 ZINC001459676658 1067380573 /nfs/dbraw/zinc/38/05/73/1067380573.db2.gz XSUUCCIHRJXYCS-FQEVSTJZSA-N 0 3 451.640 4.510 20 30 JJEDHN C[C@@H]1CCc2c(C#N)c(NC(=O)CCN3C[C@H](C)N(Cc4ccccc4)C[C@@H]3C)sc2C1 ZINC001459771904 1067415466 /nfs/dbraw/zinc/41/54/66/1067415466.db2.gz OGBNXXDGVXJLHD-AABGKKOBSA-N 0 3 450.652 4.668 20 30 JJEDHN C=CCOc1c(Br)cc(CNC[C@@H]2COC3(CCCCCC3)O2)cc1OCC ZINC001461389939 1067844956 /nfs/dbraw/zinc/84/49/56/1067844956.db2.gz LHBIRDUNRWAUBF-GOSISDBHSA-N 0 3 454.405 4.968 20 30 JJEDHN C#Cc1cccc(CNCc2ccc(OCC(=O)Nc3ccc(F)c(Cl)c3)c(OC)c2)c1 ZINC001461579788 1067893277 /nfs/dbraw/zinc/89/32/77/1067893277.db2.gz JCNFNZWZGRSJJG-UHFFFAOYSA-N 0 3 452.913 4.776 20 30 JJEDHN C#CCN(C(=O)C/C(=C/c1cccc(OC)c1)c1nc2ccccc2s1)C1CCN(C)CC1 ZINC001463000379 1068244392 /nfs/dbraw/zinc/24/43/92/1068244392.db2.gz WGUZBWXEBFCJLQ-FXBPSFAMSA-N 0 3 459.615 4.792 20 30 JJEDHN CCN(C(=O)c1cccc(CNc2ncccc2C#N)c1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC001464398149 1068731426 /nfs/dbraw/zinc/73/14/26/1068731426.db2.gz IRQAUEURKHMFTI-LVXARBLLSA-N 0 3 453.590 4.863 20 30 JJEDHN CC(C)c1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CCOC1CCCCCC1 ZINC001359712608 1064261505 /nfs/dbraw/zinc/26/15/05/1064261505.db2.gz ZYVDDFWDYUFATK-UHFFFAOYSA-N 0 3 464.658 4.725 20 30 JJEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(-c2cccs2)n(-c2ccccc2)n1 ZINC001360035754 1064842384 /nfs/dbraw/zinc/84/23/84/1064842384.db2.gz UCCSEEHGWIRIGO-UHFFFAOYSA-N 0 3 455.587 4.676 20 30 JJEDHN Cc1ncsc1CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H](c1cccs1)N(C)C ZINC001360935825 1066095647 /nfs/dbraw/zinc/09/56/47/1066095647.db2.gz YDTWJWQXIJEYRD-LJQANCHMSA-N 0 3 463.636 4.583 20 30 JJEDHN C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](c1ccc(Cl)cc1)N(C)CCC ZINC001449271998 1066994899 /nfs/dbraw/zinc/99/48/99/1066994899.db2.gz ZESZXSIWNCATJD-RTBURBONSA-N 0 3 458.430 4.875 20 30 JJEDHN C#CCN(C)CCCNC(=O)CCc1c2cccc(Br)c2[nH]c1-c1ccccc1 ZINC001450484549 1067084462 /nfs/dbraw/zinc/08/44/62/1067084462.db2.gz GPKHNFGZOIIIPX-UHFFFAOYSA-N 0 3 452.396 4.601 20 30 JJEDHN CC(C)Oc1ccc([C@H](CNC(=O)c2ccc(OCc3ccccc3C#N)cc2)N(C)C)cc1 ZINC001450552425 1067090574 /nfs/dbraw/zinc/09/05/74/1067090574.db2.gz YLBJHBDXZQYVDA-MHZLTWQESA-N 0 3 457.574 4.957 20 30 JJEDHN CCC(CC)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C(C)(C)C)C1)N1CCOCC1 ZINC001545807147 1067124125 /nfs/dbraw/zinc/12/41/25/1067124125.db2.gz BKNOAIJSYLFODP-LOSJGSFVSA-N 0 3 478.685 4.826 20 30 JJEDHN CCC(CC)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C(C)(C)C)C1)N1CCOCC1 ZINC001545807148 1067124324 /nfs/dbraw/zinc/12/43/24/1067124324.db2.gz BKNOAIJSYLFODP-RPBOFIJWSA-N 0 3 478.685 4.826 20 30 JJEDHN Cc1c(C)n(-c2ccccc2)c(NC(=O)CN[C@@H]2C[C@@H](OCc3ccccc3)C2(C)C)c1C#N ZINC001460119259 1067558961 /nfs/dbraw/zinc/55/89/61/1067558961.db2.gz GSNURBJJEVCESC-JWQCQUIFSA-N 0 3 456.590 4.878 20 30 JJEDHN CO[C@@H]1CCC[C@H]1NCC(=O)Nc1sc2c(c1C#N)C=C(/C=C\c1ccccn1)CC2(C)C ZINC001460125144 1067560060 /nfs/dbraw/zinc/56/00/60/1067560060.db2.gz FDEZOVCJUXGZFR-JQCUGZDKSA-N 0 3 462.619 4.888 20 30 JJEDHN COc1cc(CN2C[C@H](C(=O)OC(C)(C)C)C[C@H](C)C2)ccc1OCc1cccc(C#N)c1 ZINC001460254362 1067591983 /nfs/dbraw/zinc/59/19/83/1067591983.db2.gz FGVYKVUQQDHBDX-WMZHIEFXSA-N 0 3 450.579 4.946 20 30 JJEDHN CCN1CCN(Cc2ccc(NC(=O)c3cccc(COc4ccccc4C#N)c3)cc2)CC1 ZINC001464130990 1068627226 /nfs/dbraw/zinc/62/72/26/1068627226.db2.gz NROOGACVCLBRBB-UHFFFAOYSA-N 0 3 454.574 4.527 20 30 JJEDHN N#Cc1c(Cl)nc(C(F)(F)N2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)nc1C(F)(F)F ZINC001164622461 719113027 /nfs/dbraw/zinc/11/30/27/719113027.db2.gz CAZNZGXWROLRJS-GDBMZVCRSA-N 0 3 471.861 4.666 20 30 JJEDHN CC(C)N(C)Cc1nn(C(F)(F)c2ccc3nc(Cl)c(C#N)c(Cl)c3c2)c2c1CCNC2 ZINC001164679925 719653041 /nfs/dbraw/zinc/65/30/41/719653041.db2.gz AGCMIPKNYRHFBZ-UHFFFAOYSA-N 0 3 479.362 4.693 20 30 JJEDHN CC(C)N(C)Cc1nn(C(F)(F)c2cnc(Cl)c(-c3ccc(C#N)cc3)c2)c2c1CCNC2 ZINC001164682938 719654350 /nfs/dbraw/zinc/65/43/50/719654350.db2.gz UDXOLLLFEHQNBF-UHFFFAOYSA-N 0 3 470.955 4.554 20 30 JJEDHN N#Cc1cnc(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)c2cc(-c3ccccc3)sc21 ZINC001164864069 721096517 /nfs/dbraw/zinc/09/65/17/721096517.db2.gz DXKFKABBXXFPOM-XZOQPEGZSA-N 0 3 467.598 4.710 20 30 JJEDHN N#Cc1cc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)nc2ccc(Cl)cc12 ZINC001164909064 721734134 /nfs/dbraw/zinc/73/41/34/721734134.db2.gz ANZPTDLVXUEGMV-QHCPKHFHSA-N 0 3 453.924 4.893 20 30 JJEDHN CCCN(C(=O)Cc1ccc(Br)cc1C#N)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001434974485 1064389011 /nfs/dbraw/zinc/38/90/11/1064389011.db2.gz FZWWXKKZOUFGPC-QHCPKHFHSA-N 0 3 454.412 4.766 20 30 JJEDHN CC(C)Cc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1C[C@H]1CCSC1(C)C ZINC001359841068 1064527709 /nfs/dbraw/zinc/52/77/09/1064527709.db2.gz AGLQUDAQTZMCJB-HSZRJFAPSA-N 0 3 466.699 4.592 20 30 JJEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(C2CC2)nc2onc(CC(C)(C)C)c21 ZINC001359853774 1064541284 /nfs/dbraw/zinc/54/12/84/1064541284.db2.gz PEWHWJQQFKWGAX-UHFFFAOYSA-N 0 3 459.594 4.764 20 30 JJEDHN COc1ccc([C@H](CN2CCCC2)NC(=O)c2cccc(COc3ccccc3C#N)c2)cc1 ZINC001545890809 1064744327 /nfs/dbraw/zinc/74/43/27/1064744327.db2.gz LFIVUZXXZYVOFT-SANMLTNESA-N 0 3 455.558 4.713 20 30 JJEDHN C[C@@H](CC#N)N(C)c1nnc(-c2ccc(Br)cc2)n1C[C@@H](c1ccsc1)N(C)C ZINC001360470142 1065387563 /nfs/dbraw/zinc/38/75/63/1065387563.db2.gz LXHMWIXXXAYZKN-KXBFYZLASA-N 0 3 473.444 4.810 20 30 JJEDHN COc1ccc([C@@H]2CN(Cc3ccccc3)C[C@H]2NC(=O)c2cccc(SCC#N)c2)cc1 ZINC001438338269 1065711421 /nfs/dbraw/zinc/71/14/21/1065711421.db2.gz PQPAMJISQJTSFL-IZZNHLLZSA-N 0 3 457.599 4.709 20 30 JJEDHN C#CCN(C(=O)c1ccc(NC2=NCCC2)cc1)[C@@H]1CCOc2ccc(Br)cc21 ZINC001444125912 1066410454 /nfs/dbraw/zinc/41/04/54/1066410454.db2.gz VDYNGHMVBLCOLE-HXUWFJFHSA-N 0 3 452.352 4.653 20 30 JJEDHN CN(CCN(Cc1ccccc1)C(=O)c1cnc(C(F)(F)F)c(C#N)c1)Cc1ccccc1 ZINC001361278788 1066636648 /nfs/dbraw/zinc/63/66/48/1066636648.db2.gz HHTCVIPZNBYNTE-UHFFFAOYSA-N 0 3 452.480 4.746 20 30 JJEDHN Cc1cc(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)cc(N2CCN(C(C)C)CC2)c1 ZINC001457742535 1066908624 /nfs/dbraw/zinc/90/86/24/1066908624.db2.gz GLVBTFSDWOSYLZ-UHFFFAOYSA-N 0 3 455.562 4.837 20 30 JJEDHN N#Cc1cc2cccnc2nc1NCCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC001458101553 1066975768 /nfs/dbraw/zinc/97/57/68/1066975768.db2.gz OUFGZOVRRMYHBE-UHFFFAOYSA-N 0 3 454.500 4.535 20 30 JJEDHN CCC(CC)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C(C)(C)C)C1)N1CCOCC1 ZINC001545807146 1067124171 /nfs/dbraw/zinc/12/41/71/1067124171.db2.gz BKNOAIJSYLFODP-JWQCQUIFSA-N 0 3 478.685 4.826 20 30 JJEDHN CO[C@@H]1CCC[C@H]1NCC(=O)Nc1sc2c(c1C#N)C=C(/C=C/c1ccccn1)CC2(C)C ZINC001460125148 1067560027 /nfs/dbraw/zinc/56/00/27/1067560027.db2.gz FDEZOVCJUXGZFR-LLZSMSLNSA-N 0 3 462.619 4.888 20 30 JJEDHN Cc1cccc(N(CCC#N)C(=O)CN2CCC[C@@H](C)[C@H]2CCCNC(=O)OC(C)(C)C)c1C ZINC001460461281 1067638500 /nfs/dbraw/zinc/63/85/00/1067638500.db2.gz XDOPCTLYCTUJTE-FYYLOGMGSA-N 0 3 470.658 4.956 20 30 JJEDHN C=CC1(CC(=O)N(CCC)[C@H]2CCCN(Cc3ccccc3)C2)CN(C(=O)OC(C)(C)C)C1 ZINC001464671975 1068819889 /nfs/dbraw/zinc/81/98/89/1068819889.db2.gz CVKGHFYCTAOHPJ-QHCPKHFHSA-N 0 3 455.643 4.703 20 30 JJEDHN N#Cc1c(Cl)nc(C(F)(F)N2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)nc1C(F)(F)F ZINC001164622488 719112931 /nfs/dbraw/zinc/11/29/31/719112931.db2.gz CAZNZGXWROLRJS-GOEBONIOSA-N 0 3 471.861 4.666 20 30 JJEDHN Cn1cc(CN2CC[C@@H]3CN(c4ncc(C#N)c5sc(-c6ccccc6)cc54)C[C@H]3C2)cn1 ZINC001164763292 721143668 /nfs/dbraw/zinc/14/36/68/721143668.db2.gz FASRWQVVNIMUTC-IFMALSPDSA-N 0 3 454.603 4.527 20 30 JJEDHN CC(C)c1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C ZINC001359712472 1064261064 /nfs/dbraw/zinc/26/10/64/1064261064.db2.gz UGJHWJIYQBQWTN-LOSJGSFVSA-N 0 3 478.685 4.827 20 30 JJEDHN CN(C(=O)c1ccc(NC(=O)c2ccccc2-c2ccccc2C#N)cc1)[C@@H]1CCCN(C)C1 ZINC001435188233 1064577422 /nfs/dbraw/zinc/57/74/22/1064577422.db2.gz BZNPLBMHPQKNFP-HSZRJFAPSA-N 0 3 452.558 4.644 20 30 JJEDHN CC(C)CCN(CCC#N)c1nnc(C(C)(C)C)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC001359926529 1064659345 /nfs/dbraw/zinc/65/93/45/1064659345.db2.gz RHXPNZVRWMSJNQ-DEOSSOPVSA-N 0 3 466.674 4.633 20 30 JJEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(-c2cccc(C(F)(F)F)c2)ccn1 ZINC001360035490 1064841261 /nfs/dbraw/zinc/84/12/61/1064841261.db2.gz PRRVMFJBHCNJJI-UHFFFAOYSA-N 0 3 452.480 4.843 20 30 JJEDHN N#Cc1ccc(NC(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)cc1Br ZINC001436211306 1065254225 /nfs/dbraw/zinc/25/42/25/1065254225.db2.gz GKJHBULEEPMION-LJQANCHMSA-N 0 3 452.274 4.714 20 30 JJEDHN C[C@H](CC#N)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H](c1cccs1)N(C)C ZINC001360470903 1065389820 /nfs/dbraw/zinc/38/98/20/1065389820.db2.gz XDYBMKIYBVBTBE-QAPCUYQASA-N 0 3 460.554 4.649 20 30 JJEDHN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCN(CCC(C)(C)C)CC2)n1Cc1ccc(C#N)o1 ZINC001360750303 1065794816 /nfs/dbraw/zinc/79/48/16/1065794816.db2.gz VTACJAOQXYEOCT-IBGZPJMESA-N 0 3 480.588 4.628 20 30 JJEDHN Cc1ncsc1CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H](c1cccs1)N(C)C ZINC001360935824 1066095535 /nfs/dbraw/zinc/09/55/35/1066095535.db2.gz YDTWJWQXIJEYRD-IBGZPJMESA-N 0 3 463.636 4.583 20 30 JJEDHN Cc1ccc(C)c(OCc2nnc(N3CCC(CC#N)CC3)n2C[C@@H](c2cccs2)N(C)C)c1 ZINC001361152734 1066447287 /nfs/dbraw/zinc/44/72/87/1066447287.db2.gz QAICVOWQDPNEDU-QFIPXVFZSA-N 0 3 478.666 4.968 20 30 JJEDHN CC(C)Oc1ccc([C@H](CNC(=O)c2cccc(OCc3ccccc3C#N)c2)N(C)C)cc1 ZINC001450546593 1067089591 /nfs/dbraw/zinc/08/95/91/1067089591.db2.gz QLTNDMIWCQMDQA-MHZLTWQESA-N 0 3 457.574 4.957 20 30 JJEDHN CC(C)C[C@H](NCC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 ZINC001459842299 1067449132 /nfs/dbraw/zinc/44/91/32/1067449132.db2.gz GWPZENIWIGMCJM-BJKOFHAPSA-N 0 3 456.993 4.565 20 30 JJEDHN Cc1ccc(N(CCC#N)C(=O)[C@H](C)N[C@@H](C)c2ccc(NC(=O)c3ccncc3)cc2)cc1 ZINC001459858547 1067460900 /nfs/dbraw/zinc/46/09/00/1067460900.db2.gz OOLPTXNSQDGOTK-SFTDATJTSA-N 0 3 455.562 4.628 20 30 JJEDHN N#Cc1ccc(Cl)cc1NC(=O)CN[C@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 ZINC001460097874 1067554230 /nfs/dbraw/zinc/55/42/30/1067554230.db2.gz HTHZALXLXJWZOX-NRFANRHFSA-N 0 3 451.876 4.926 20 30 JJEDHN Cc1c(C)n(-c2ccccc2)c(NC(=O)CN[C@H]2C[C@H](OCc3ccccc3)C2(C)C)c1C#N ZINC001460119251 1067559023 /nfs/dbraw/zinc/55/90/23/1067559023.db2.gz GSNURBJJEVCESC-DQEYMECFSA-N 0 3 456.590 4.878 20 30 JJEDHN C#CCN(C(=O)c1cccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)c1)C1CCN(C)CC1 ZINC001462998251 1068243736 /nfs/dbraw/zinc/24/37/36/1068243736.db2.gz NMRIOKUEKBKFKY-UHFFFAOYSA-N 0 3 459.377 4.807 20 30 JJEDHN CCN(C(=O)c1cccc(CNc2ncccc2C#N)c1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC001464398141 1068731370 /nfs/dbraw/zinc/73/13/70/1068731370.db2.gz IRQAUEURKHMFTI-HFZDXXHNSA-N 0 3 453.590 4.863 20 30 JJEDHN N#Cc1c(Cl)nc(C(F)(F)N2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)nc1C(F)(F)F ZINC001164622501 719113446 /nfs/dbraw/zinc/11/34/46/719113446.db2.gz CAZNZGXWROLRJS-ZBFHGGJFSA-N 0 3 471.861 4.666 20 30 JJEDHN CC(C)N(C)Cc1nn(C(F)(F)c2cnc(Cl)c(-c3cccc(C#N)c3)c2)c2c1CCNC2 ZINC001164681028 719654617 /nfs/dbraw/zinc/65/46/17/719654617.db2.gz LUJPAIXCGJLIAE-UHFFFAOYSA-N 0 3 470.955 4.554 20 30 JJEDHN N#Cc1cnc(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c2cc(-c3ccccc3)sc21 ZINC001164864068 721096140 /nfs/dbraw/zinc/09/61/40/721096140.db2.gz DXKFKABBXXFPOM-PKTZIBPZSA-N 0 3 467.598 4.710 20 30 JJEDHN N#Cc1cnc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c2cc(-c3ccccc3)sc21 ZINC001164975679 722122696 /nfs/dbraw/zinc/12/26/96/722122696.db2.gz KGACOUQFWGKANO-WIOPSUGQSA-N 0 3 481.625 4.957 20 30 JJEDHN N#Cc1c(Cl)nc2cccc(Cl)c2c1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164972643 722159507 /nfs/dbraw/zinc/15/95/07/722159507.db2.gz IUYFYOKYZHVSIV-LAUBAEHRSA-N 0 3 468.388 4.536 20 30 JJEDHN CC(C)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](c2cccs2)N(C)C)C1 ZINC001359745915 1064321236 /nfs/dbraw/zinc/32/12/36/1064321236.db2.gz UPQUMPXXCVIYHV-RBBKRZOGSA-N 0 3 464.639 4.575 20 30 JJEDHN CCCN(C(=O)Cc1ccc(Br)cc1C#N)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001434974453 1064388841 /nfs/dbraw/zinc/38/88/41/1064388841.db2.gz FZWWXKKZOUFGPC-HSZRJFAPSA-N 0 3 454.412 4.766 20 30 JJEDHN Cc1cc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)nn1-c1ccc(Cl)cc1Cl ZINC001435080001 1064502265 /nfs/dbraw/zinc/50/22/65/1064502265.db2.gz MISPNBWFAZFFAC-UHFFFAOYSA-N 0 3 456.377 4.563 20 30 JJEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cnc(-c2ccc(C(F)(F)F)cc2)s1 ZINC001360034472 1064839143 /nfs/dbraw/zinc/83/91/43/1064839143.db2.gz BAUOSASZMDXAPB-UHFFFAOYSA-N 0 3 458.509 4.905 20 30 JJEDHN C[C@H](CC#N)N(C)c1nnc(-c2ccc(Br)cc2)n1C[C@@H](c1ccsc1)N(C)C ZINC001360470139 1065387603 /nfs/dbraw/zinc/38/76/03/1065387603.db2.gz LXHMWIXXXAYZKN-BEFAXECRSA-N 0 3 473.444 4.810 20 30 JJEDHN CC(C)N1CCN(c2cccc(NC(=O)c3cccc(COc4ccccc4C#N)c3)c2)CC1 ZINC001447322581 1066792368 /nfs/dbraw/zinc/79/23/68/1066792368.db2.gz UGJGTSRJSCKVJS-UHFFFAOYSA-N 0 3 454.574 4.920 20 30 JJEDHN CCC(CC)(Cn1c([C@H]2CCCOC2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1)SC ZINC001545783807 1067079169 /nfs/dbraw/zinc/07/91/69/1067079169.db2.gz CQDPNAXXWLKTBD-DEOSSOPVSA-N 0 3 496.725 4.678 20 30 JJEDHN CCC(CC)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCC[C@@H](C)C1)N1CCOCC1 ZINC001545807896 1067130400 /nfs/dbraw/zinc/13/04/00/1067130400.db2.gz PFAZAKSTDZDPQA-QGDZQMKYSA-N 0 3 478.685 4.969 20 30 JJEDHN CCC(CC)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C)=C(C)C1)N1CCOCC1 ZINC001545808068 1067131763 /nfs/dbraw/zinc/13/17/63/1067131763.db2.gz RUJWQGCAIZZHBT-VWLOTQADSA-N 0 3 462.642 4.500 20 30 JJEDHN C[C@@H]1CCc2c(C#N)c(NC(=O)CCN3C[C@@H](C)N(Cc4ccccc4)C[C@@H]3C)sc2C1 ZINC001459771910 1067415524 /nfs/dbraw/zinc/41/55/24/1067415524.db2.gz OGBNXXDGVXJLHD-HSALFYBXSA-N 0 3 450.652 4.668 20 30 JJEDHN CCCCc1ccc([C@@H](NCC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C(C)C)cc1 ZINC001459847491 1067453176 /nfs/dbraw/zinc/45/31/76/1067453176.db2.gz ZVUFDWBATQEYGJ-OZXSUGGESA-N 0 3 452.668 4.786 20 30 JJEDHN N#C[C@H](c1cccs1)N1CCN(C(=O)CN[C@H](c2ccc(Cl)cc2)C2CCCC2)CC1 ZINC001459850739 1067455697 /nfs/dbraw/zinc/45/56/97/1067455697.db2.gz NVXGMFFRBBUKJT-QPPBQGQZSA-N 0 3 457.043 4.631 20 30 JJEDHN CC(C)C[C@@H]1CN(CCCc2ccccc2)CCN1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC001460146655 1067564438 /nfs/dbraw/zinc/56/44/38/1067564438.db2.gz UWYASFLYDQYCLE-XMMPIXPASA-N 0 3 453.030 4.815 20 30 JJEDHN C#CCNC(=O)CCN(C)Cc1ccc(Br)cc1Oc1ccc(F)c(Cl)c1 ZINC001460743108 1067713697 /nfs/dbraw/zinc/71/36/97/1067713697.db2.gz HKSIYGNRRNUHDO-UHFFFAOYSA-N 0 3 453.739 4.605 20 30 JJEDHN COc1cc(CN[C@H](CCCC#N)c2ccccc2)cc(I)c1OC ZINC001461537401 1067883848 /nfs/dbraw/zinc/88/38/48/1067883848.db2.gz JOUOJYAFRMFTIG-GOSISDBHSA-N 0 3 450.320 4.833 20 30 JJEDHN CCN(C(=O)c1cccc(CNc2ncccc2C#N)c1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC001464398163 1068731525 /nfs/dbraw/zinc/73/15/25/1068731525.db2.gz IRQAUEURKHMFTI-RLWLMLJZSA-N 0 3 453.590 4.863 20 30 JJEDHN Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccc2[nH]c(=O)n(CCN(C)C)c2c1 ZINC001464424119 1068740371 /nfs/dbraw/zinc/74/03/71/1068740371.db2.gz QKXNSMOEUSHXBO-UHFFFAOYSA-N 0 3 455.518 4.528 20 30 JJEDHN Cc1cnc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)c(C#C[Si](C)(C)C)c1 ZINC001164908089 721717681 /nfs/dbraw/zinc/71/76/81/721717681.db2.gz VNZSDTTYLQZGIT-XMMPIXPASA-N 0 3 454.641 4.752 20 30 JJEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1Cl ZINC001359854203 1064541406 /nfs/dbraw/zinc/54/14/06/1064541406.db2.gz VDVDZAYBMMCUSE-UHFFFAOYSA-N 0 3 456.974 4.763 20 30 JJEDHN CC(C)CSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CCC(C)CC2)CC1 ZINC001360087341 1064951967 /nfs/dbraw/zinc/95/19/67/1064951967.db2.gz RHQJWTVBRPERCC-UHFFFAOYSA-N 0 3 496.725 4.819 20 30 JJEDHN C[C@@H](CC#N)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H](c1cccs1)N(C)C ZINC001360470904 1065389655 /nfs/dbraw/zinc/38/96/55/1065389655.db2.gz XDYBMKIYBVBTBE-YJBOKZPZSA-N 0 3 460.554 4.649 20 30 JJEDHN C[C@@H]1CN(CCCCNC(=O)c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)C[C@H](C)O1 ZINC001445344741 1066560744 /nfs/dbraw/zinc/56/07/44/1066560744.db2.gz FVZFHKLMIKFTII-OKILXGFUSA-N 0 3 458.418 4.595 20 30 JJEDHN CCC(CC)(Cn1c([C@@H]2CCCOC2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1)SC ZINC001545783808 1067079301 /nfs/dbraw/zinc/07/93/01/1067079301.db2.gz CQDPNAXXWLKTBD-XMMPIXPASA-N 0 3 496.725 4.678 20 30 JJEDHN CCC(CC)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC1CCCC1)N1CCOCC1 ZINC001545807435 1067126135 /nfs/dbraw/zinc/12/61/35/1067126135.db2.gz HWJQHCNSJGTWGH-RUZDIDTESA-N 0 3 464.658 4.580 20 30 JJEDHN CCCN(CC(=O)Nc1c(C#N)c(C)c(C)n1-c1cccc(F)c1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC001459538565 1067347692 /nfs/dbraw/zinc/34/76/92/1067347692.db2.gz GJHOWQJFGCDVNJ-TUACAJSNSA-N 0 3 452.574 4.569 20 30 JJEDHN N#Cc1ccc(Cl)cc1NC(=O)CN[C@@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 ZINC001460097878 1067554421 /nfs/dbraw/zinc/55/44/21/1067554421.db2.gz HTHZALXLXJWZOX-OAQYLSRUSA-N 0 3 451.876 4.926 20 30 JJEDHN COc1cc(CN2C[C@H](C)C[C@H](C(=O)OC(C)(C)C)C2)ccc1OCc1cccc(C#N)c1 ZINC001460254370 1067592297 /nfs/dbraw/zinc/59/22/97/1067592297.db2.gz FGVYKVUQQDHBDX-XXBNENTESA-N 0 3 450.579 4.946 20 30 JJEDHN C[C@@H]1[C@H](C)N(Cc2ccccc2)[C@@H](C)CN1CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC001460341394 1067611922 /nfs/dbraw/zinc/61/19/22/1067611922.db2.gz GUIJFGFBGPEECJ-ZCNNSNEGSA-N 0 3 450.652 4.810 20 30 JJEDHN CC1(C)CC[C@@H](CN(CCOC(F)(F)C(F)(F)F)CCOC(F)(F)C(F)(F)F)O1 ZINC001460763902 1067719041 /nfs/dbraw/zinc/71/90/41/1067719041.db2.gz MSJADWJVOJBRGW-JTQLQIEISA-N 0 3 453.317 4.589 20 30 JJEDHN N#CCCn1cc(CNCc2ccc(NC(=O)c3ccc(F)cc3)cc2)c(-c2ccncc2)n1 ZINC001461345955 1067835507 /nfs/dbraw/zinc/83/55/07/1067835507.db2.gz SYVSUCFRNAVLMC-UHFFFAOYSA-N 0 3 454.509 4.540 20 30 JJEDHN N#Cc1cccc(COc2cccc(CNc3ccc(C(=O)NCCN4CCCC4)cc3)c2)c1 ZINC001461566504 1067889680 /nfs/dbraw/zinc/88/96/80/1067889680.db2.gz TYAJZSCQCMGCPS-UHFFFAOYSA-N 0 3 454.574 4.575 20 30 JJEDHN C=CC[C@@H]1CCCN(S(=O)(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)C1 ZINC001464033755 1068594525 /nfs/dbraw/zinc/59/45/25/1068594525.db2.gz JZTZMIPJRUJBGD-DCEDVJGZSA-N 0 3 459.055 4.926 20 30 JJEDHN Cc1nc(C#Cc2ccnc(N3CC[C@@H]4[C@@H]3CCN4Cc3cccnc3)c2)c(C)n1-c1ccc(F)cc1 ZINC001164722600 720384499 /nfs/dbraw/zinc/38/44/99/720384499.db2.gz DPDBYUKMRCPSIA-WDYNHAJCSA-N 0 3 492.602 4.671 20 30 JJEDHN N#Cc1cnc(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)c2cc(-c3ccccc3)sc21 ZINC001164864066 721095487 /nfs/dbraw/zinc/09/54/87/721095487.db2.gz DXKFKABBXXFPOM-GOTSBHOMSA-N 0 3 467.598 4.710 20 30 JJEDHN N#CCc1ccc(OCc2ccc(N3CCC(F)(F)[C@]4(CCN(Cc5ccccn5)C4)C3)nc2)cc1 ZINC001164909140 721725683 /nfs/dbraw/zinc/72/56/83/721725683.db2.gz CGYDXAQDJMAMEM-MHZLTWQESA-N 0 3 489.570 4.859 20 30 JJEDHN CC(C)c1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CCc1cc(C(F)(F)F)ccn1 ZINC001359712050 1064260391 /nfs/dbraw/zinc/26/03/91/1064260391.db2.gz CVNVQJQUDHIUOG-UHFFFAOYSA-N 0 3 497.569 4.642 20 30 JJEDHN CC(C)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CCC(C)CC2)CC1 ZINC001359912260 1064630635 /nfs/dbraw/zinc/63/06/35/1064630635.db2.gz RHMNPFVUSINBRD-UHFFFAOYSA-N 0 3 464.658 4.866 20 30 JJEDHN CN(C(=O)c1ccc(NC(=O)c2ccc(C#Cc3ccccc3)cc2)cc1)[C@H]1CCCN(C)C1 ZINC001360388293 1065252669 /nfs/dbraw/zinc/25/26/69/1065252669.db2.gz RMZZWYRZQFJXJQ-MHZLTWQESA-N 0 3 451.570 4.505 20 30 JJEDHN N#Cc1ccc(NC(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)cc1Br ZINC001436211300 1065254332 /nfs/dbraw/zinc/25/43/32/1065254332.db2.gz GKJHBULEEPMION-IBGZPJMESA-N 0 3 452.274 4.714 20 30 JJEDHN Cc1ccc(C)c(-n2cnc3cc(C(=O)N(CCN(C)C)Cc4ccc(C#N)cc4)ccc32)c1 ZINC001441658991 1066058477 /nfs/dbraw/zinc/05/84/77/1066058477.db2.gz NQCBAUVJQJGSRD-UHFFFAOYSA-N 0 3 451.574 4.718 20 30 JJEDHN Cc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC001492875241 1066959450 /nfs/dbraw/zinc/95/94/50/1066959450.db2.gz FHQARHOSLATQKJ-VXKWHMMOSA-N 0 3 460.548 4.539 20 30 JJEDHN Cc1cc(F)c(C#N)c(NCC2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)CC2)c1 ZINC001458434158 1067059421 /nfs/dbraw/zinc/05/94/21/1067059421.db2.gz NFAHTPIQLGYQHF-UHFFFAOYSA-N 0 3 452.574 4.977 20 30 JJEDHN CC(C)Oc1ccc([C@@H](CNC(=O)c2cccc(OCc3ccccc3C#N)c2)N(C)C)cc1 ZINC001450546555 1067088923 /nfs/dbraw/zinc/08/89/23/1067088923.db2.gz QLTNDMIWCQMDQA-HHHXNRCGSA-N 0 3 457.574 4.957 20 30 JJEDHN CCC(CC)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H]1CCC[C@H](C)C1)N1CCOCC1 ZINC001545807894 1067129597 /nfs/dbraw/zinc/12/95/97/1067129597.db2.gz PFAZAKSTDZDPQA-MZBJOSPHSA-N 0 3 478.685 4.969 20 30 JJEDHN CCN(CC(=O)Nc1ccccc1SC[C@H](C)C#N)CC1CCN(c2ccccn2)CC1 ZINC001459676663 1067380645 /nfs/dbraw/zinc/38/06/45/1067380645.db2.gz XSUUCCIHRJXYCS-HXUWFJFHSA-N 0 3 451.640 4.510 20 30 JJEDHN N#C[C@H](c1cccs1)N1CCN(C(=O)CN[C@@H](c2ccc(Cl)cc2)C2CCCC2)CC1 ZINC001459850757 1067455706 /nfs/dbraw/zinc/45/57/06/1067455706.db2.gz NVXGMFFRBBUKJT-ZJSXRUAMSA-N 0 3 457.043 4.631 20 30 JJEDHN Cc1c(C)n(-c2ccccc2)c(NC(=O)CN[C@H](CN2CCCCC2)c2ccccc2)c1C#N ZINC001459939684 1067500301 /nfs/dbraw/zinc/50/03/01/1067500301.db2.gz YYWLVOBBNPEURS-AREMUKBSSA-N 0 3 455.606 4.721 20 30 JJEDHN Cc1nc(SCC(=O)Nc2cc(Cl)ccc2OC2CCN(C)CC2)c(C#N)c(C)c1C ZINC001460074427 1067547356 /nfs/dbraw/zinc/54/73/56/1067547356.db2.gz IRVRPAVWXMCAHB-UHFFFAOYSA-N 0 3 459.015 4.736 20 30 JJEDHN C[C@@H]1[C@@H](C)N(Cc2ccccc2)[C@@H](C)CN1CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC001460341391 1067611948 /nfs/dbraw/zinc/61/19/48/1067611948.db2.gz GUIJFGFBGPEECJ-XUVXKRRUSA-N 0 3 450.652 4.810 20 30 JJEDHN CCOc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NCc2cccc(C#N)c2F)cc1 ZINC001460388117 1067623744 /nfs/dbraw/zinc/62/37/44/1067623744.db2.gz DZUFTLNRSAWTOK-GOTSBHOMSA-N 0 3 453.558 4.979 20 30 JJEDHN O=C(CCN1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)Nc1ccccc1Cl ZINC001460879488 1067740986 /nfs/dbraw/zinc/74/09/86/1067740986.db2.gz WVBFDHFPEUBNTL-UWVGGRQHSA-N 0 3 450.757 4.771 20 30 JJEDHN O=C(NCCNCc1ccc(Cl)cc1Oc1ccc(Cl)c(F)c1)C1N=CC=CC1=O ZINC001461193044 1067796390 /nfs/dbraw/zinc/79/63/90/1067796390.db2.gz UKJQACKMJBSNOX-QZQOTICOSA-N 0 3 450.297 4.541 20 30 JJEDHN C#CCOc1ccc(Br)cc1CNC[C@@H](C)Oc1cccc(Br)c1 ZINC001461261931 1067812783 /nfs/dbraw/zinc/81/27/83/1067812783.db2.gz ZAHHVGMLHGBLDR-CQSZACIVSA-N 0 3 453.174 4.781 20 30 JJEDHN CN(C)Cc1ccc(NC(=O)c2ccc(OCC(F)(F)C(F)F)nc2)cc1C(F)(F)F ZINC001462728856 1068145992 /nfs/dbraw/zinc/14/59/92/1068145992.db2.gz KZDDLLSLTCXLRP-UHFFFAOYSA-N 0 3 453.358 4.694 20 30 JJEDHN Cc1nc(C#Cc2ccnc(N3CC[C@@H]4[C@H]3CCN4Cc3cccnc3)c2)c(C)n1-c1ccc(F)cc1 ZINC001164722592 720383165 /nfs/dbraw/zinc/38/31/65/720383165.db2.gz DPDBYUKMRCPSIA-FQLXRVMXSA-N 0 3 492.602 4.671 20 30 JJEDHN N#Cc1cnc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c2cc(-c3ccccc3)sc21 ZINC001164975674 722122708 /nfs/dbraw/zinc/12/27/08/722122708.db2.gz KGACOUQFWGKANO-RCZVLFRGSA-N 0 3 481.625 4.957 20 30 JJEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc2ncn(-c3ccc(Cl)cc3)c2c1 ZINC001435076390 1064499016 /nfs/dbraw/zinc/49/90/16/1064499016.db2.gz AODCCXKRFPJTMJ-UHFFFAOYSA-N 0 3 457.965 4.755 20 30 JJEDHN Cc1noc2nc(-c3ccc(C)cc3)cc(C(=O)N(CCN(C)C)Cc3cccc(C#N)c3)c12 ZINC001360035540 1064841366 /nfs/dbraw/zinc/84/13/66/1064841366.db2.gz QBKRDVKNPSWHAL-UHFFFAOYSA-N 0 3 453.546 4.582 20 30 JJEDHN C=C(Cl)CSc1nc(C)c(CC(=O)N(CC)[C@H]2CCN(Cc3ccccc3)C2)s1 ZINC001435808345 1065003091 /nfs/dbraw/zinc/00/30/91/1065003091.db2.gz MTJKVHJGNQMXDB-IBGZPJMESA-N 0 3 450.073 4.962 20 30 JJEDHN CN(C(=O)c1ccc(NC(=O)c2ccc(C#Cc3ccccc3)cc2)cc1)[C@@H]1CCCN(C)C1 ZINC001360388291 1065252700 /nfs/dbraw/zinc/25/27/00/1065252700.db2.gz RMZZWYRZQFJXJQ-HHHXNRCGSA-N 0 3 451.570 4.505 20 30 JJEDHN C[C@@H](CC#N)N(C)c1nnc(-c2ccc(Br)cc2)n1C[C@H](c1ccsc1)N(C)C ZINC001360470141 1065387522 /nfs/dbraw/zinc/38/75/22/1065387522.db2.gz LXHMWIXXXAYZKN-HNAYVOBHSA-N 0 3 473.444 4.810 20 30 JJEDHN Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCCN(Cc3ccccc3)C[C@@H]2C)cc1C ZINC001360748121 1065789746 /nfs/dbraw/zinc/78/97/46/1065789746.db2.gz RAQWUVWSQRZLBN-QHCPKHFHSA-N 0 3 455.606 4.817 20 30 JJEDHN Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCCN(Cc3ccccc3)C[C@H]2C)cc1C ZINC001360748120 1065790004 /nfs/dbraw/zinc/79/00/04/1065790004.db2.gz RAQWUVWSQRZLBN-HSZRJFAPSA-N 0 3 455.606 4.817 20 30 JJEDHN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCN(CCC(C)(C)C)CC2)n1Cc1ccc(C#N)o1 ZINC001360750305 1065794836 /nfs/dbraw/zinc/79/48/36/1065794836.db2.gz VTACJAOQXYEOCT-LJQANCHMSA-N 0 3 480.588 4.628 20 30 JJEDHN N#Cc1ccc(Oc2ccc(NC(=O)C(C[C@@H]3COCCO3)C(F)(F)F)cc2Cl)cc1 ZINC001441994726 1066084427 /nfs/dbraw/zinc/08/44/27/1066084427.db2.gz QVMRQNWPMXIWGE-IAGOWNOFSA-N 0 3 454.832 4.926 20 30 JJEDHN N#Cc1ccc(Oc2ccc(NC(=O)C(C[C@H]3COCCO3)C(F)(F)F)cc2Cl)cc1 ZINC001441994728 1066084495 /nfs/dbraw/zinc/08/44/95/1066084495.db2.gz QVMRQNWPMXIWGE-IRXDYDNUSA-N 0 3 454.832 4.926 20 30 JJEDHN CCN(CC)[C@H](CNC(=O)c1ccn(-c2cccc(C#N)c2)n1)c1ccc(C(F)(F)F)cc1 ZINC001442313212 1066115857 /nfs/dbraw/zinc/11/58/57/1066115857.db2.gz YGELBVJSMBRDIU-JOCHJYFZSA-N 0 3 455.484 4.576 20 30 JJEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(OC(F)(F)F)cc1C(F)(F)F ZINC001456065986 1066500227 /nfs/dbraw/zinc/50/02/27/1066500227.db2.gz MQPKLGKPQAESMU-UHFFFAOYSA-N 0 3 459.390 4.680 20 30 JJEDHN Cc1cc(CN(C)C)cc(NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)c1 ZINC001446183067 1066669652 /nfs/dbraw/zinc/66/96/52/1066669652.db2.gz NCHJGTVTOTYHSK-UHFFFAOYSA-N 0 3 458.587 4.911 20 30 JJEDHN COc1ccc([C@@H](CN2CCCC2)NC(=O)c2ccc(OCc3ccccc3C#N)cc2)cc1 ZINC001446354957 1066695522 /nfs/dbraw/zinc/69/55/22/1066695522.db2.gz QJXBCGPONUTDPW-HHHXNRCGSA-N 0 3 455.558 4.713 20 30 JJEDHN CCC(CC)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C)=C(C)C1)N1CCOCC1 ZINC001545808067 1067131740 /nfs/dbraw/zinc/13/17/40/1067131740.db2.gz RUJWQGCAIZZHBT-RUZDIDTESA-N 0 3 462.642 4.500 20 30 JJEDHN CCN(CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1)CC1CCN(c2ccccn2)CC1 ZINC001459666974 1067376620 /nfs/dbraw/zinc/37/66/20/1067376620.db2.gz SJYOAIQZBQDMDB-UHFFFAOYSA-N 0 3 454.018 4.529 20 30 JJEDHN N#C[C@@H](c1cccs1)N1CCN(C(=O)CN[C@H](c2ccc(Cl)cc2)C2CCCC2)CC1 ZINC001459850747 1067455650 /nfs/dbraw/zinc/45/56/50/1067455650.db2.gz NVXGMFFRBBUKJT-URXFXBBRSA-N 0 3 457.043 4.631 20 30 JJEDHN Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)CN[C@H](C)c2cccc(-n3cccn3)c2)c1C#N ZINC001459861978 1067461839 /nfs/dbraw/zinc/46/18/39/1067461839.db2.gz TZNFHLXMJONKMJ-GOSISDBHSA-N 0 3 456.525 4.580 20 30 JJEDHN COc1ccc(C[C@@H](N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c2ccc(OC)cc2)cc1 ZINC001459862624 1067462583 /nfs/dbraw/zinc/46/25/83/1067462583.db2.gz DLHMUWKBUZOGII-RRPNLBNLSA-N 0 3 455.558 4.644 20 30 JJEDHN O=C(CCN1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)Nc1ccccc1Cl ZINC001460879484 1067740829 /nfs/dbraw/zinc/74/08/29/1067740829.db2.gz WVBFDHFPEUBNTL-NXEZZACHSA-N 0 3 450.757 4.771 20 30 JJEDHN C#CCOc1ccc(Br)cc1CNCc1ccccc1CN(C)Cc1ccco1 ZINC001461226298 1067804377 /nfs/dbraw/zinc/80/43/77/1067804377.db2.gz YOISPSDOSZTRCS-UHFFFAOYSA-N 0 3 453.380 4.976 20 30 JJEDHN COc1ccc(CN[C@H]2Cc3ccccc3N(C(=O)OC(C)(C)C)C2)cc1OCCCC#N ZINC001461616389 1067902587 /nfs/dbraw/zinc/90/25/87/1067902587.db2.gz LBWKGRLQHZFEOM-NRFANRHFSA-N 0 3 451.567 4.834 20 30 JJEDHN C#CCN(C(=O)C/C(=C\c1cccc(OC)c1)c1nc2ccccc2s1)C1CCN(C)CC1 ZINC001463000383 1068244471 /nfs/dbraw/zinc/24/44/71/1068244471.db2.gz WGUZBWXEBFCJLQ-HEHNFIMWSA-N 0 3 459.615 4.792 20 30 JJEDHN N#Cc1c(F)cccc1S(=O)(=O)N1CCCCC[C@H]1C1CCN(Cc2ccccc2)CC1 ZINC001463835592 1068541832 /nfs/dbraw/zinc/54/18/32/1068541832.db2.gz OOOHSYRKHQXYOH-DEOSSOPVSA-N 0 3 455.599 4.543 20 30 JJEDHN N#Cc1cc(-c2ccnc(Cl)n2)c(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)cc1F ZINC001164907004 721706737 /nfs/dbraw/zinc/70/67/37/721706737.db2.gz PJRAWSAOPGXDGG-XMMPIXPASA-N 0 3 498.940 4.940 20 30 JJEDHN N#Cc1c(Cl)nc2cccc(Cl)c2c1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164972635 722159651 /nfs/dbraw/zinc/15/96/51/722159651.db2.gz IUYFYOKYZHVSIV-DYESRHJHSA-N 0 3 468.388 4.536 20 30 JJEDHN CC(C)c1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1C[C@H]1CCCO[C@H]1C(C)(C)C ZINC001359712471 1064261164 /nfs/dbraw/zinc/26/11/64/1064261164.db2.gz UGJHWJIYQBQWTN-JWQCQUIFSA-N 0 3 478.685 4.827 20 30 JJEDHN CC(C)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](c2cccs2)N(C)C)C1 ZINC001359745913 1064321467 /nfs/dbraw/zinc/32/14/67/1064321467.db2.gz UPQUMPXXCVIYHV-IFMALSPDSA-N 0 3 464.639 4.575 20 30 JJEDHN Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC001359854542 1064542063 /nfs/dbraw/zinc/54/20/63/1064542063.db2.gz ZYSKYLIHWZTYED-UHFFFAOYSA-N 0 3 456.468 4.745 20 30 JJEDHN CC(C)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2nc(C(C)(C)C)cs2)CC1 ZINC001360017426 1064817756 /nfs/dbraw/zinc/81/77/56/1064817756.db2.gz FKAGAKTXQAVPHN-UHFFFAOYSA-N 0 3 477.682 4.591 20 30 JJEDHN C=C(Cl)CSc1nc(C)c(CC(=O)N(CC)[C@@H]2CCN(Cc3ccccc3)C2)s1 ZINC001435808346 1065003214 /nfs/dbraw/zinc/00/32/14/1065003214.db2.gz MTJKVHJGNQMXDB-LJQANCHMSA-N 0 3 450.073 4.962 20 30 JJEDHN N#Cc1c(F)cccc1Oc1ccc(C(=O)NCC2(N3CCSCC3)CCCCC2)cc1 ZINC001360354877 1065204326 /nfs/dbraw/zinc/20/43/26/1065204326.db2.gz DQJBXCFMULRBQQ-UHFFFAOYSA-N 0 3 453.583 4.971 20 30 JJEDHN C[C@H](CC#N)N(C)c1nnc(-c2ccc(Br)cc2)n1C[C@H](c1ccsc1)N(C)C ZINC001360470140 1065387294 /nfs/dbraw/zinc/38/72/94/1065387294.db2.gz LXHMWIXXXAYZKN-DNVCBOLYSA-N 0 3 473.444 4.810 20 30 JJEDHN N#Cc1ccc(Oc2ccc(NC(=O)C(C[C@H]3COCCO3)C(F)(F)F)cc2Cl)cc1 ZINC001441994724 1066084380 /nfs/dbraw/zinc/08/43/80/1066084380.db2.gz QVMRQNWPMXIWGE-DLBZAZTESA-N 0 3 454.832 4.926 20 30 JJEDHN N#Cc1cccc(COc2ccc(NC(=O)c3ccc(CN4CCC(CO)CC4)cc3)cc2)c1 ZINC001443164326 1066275916 /nfs/dbraw/zinc/27/59/16/1066275916.db2.gz PLNCRMOIFHMBND-UHFFFAOYSA-N 0 3 455.558 4.594 20 30 JJEDHN CN(C)CCN(Cc1ccccc1F)C(=O)c1ccc(OC(F)(F)F)cc1C(F)(F)F ZINC001456058266 1066497476 /nfs/dbraw/zinc/49/74/76/1066497476.db2.gz QRJQPOZBCNLYRG-UHFFFAOYSA-N 0 3 452.370 4.947 20 30 JJEDHN Cc1ccc(-c2nnc(N3CCCN(Cc4ccc(C#N)cc4)CC3)n2CCSC(F)(F)F)o1 ZINC001361218238 1066554552 /nfs/dbraw/zinc/55/45/52/1066554552.db2.gz QNWRGFHQEPGAIZ-UHFFFAOYSA-N 0 3 490.555 4.684 20 30 JJEDHN N#Cc1cccc(OCc2cccc(C(=O)Nc3cccc(CN4CCC(CO)CC4)c3)c2)c1 ZINC001446035699 1066649241 /nfs/dbraw/zinc/64/92/41/1066649241.db2.gz MNFAMVYOJUAOMC-UHFFFAOYSA-N 0 3 455.558 4.594 20 30 JJEDHN CC(C)Oc1ccc([C@@H](CNC(=O)c2ccc(OCc3ccccc3C#N)cc2)N(C)C)cc1 ZINC001450552420 1067090468 /nfs/dbraw/zinc/09/04/68/1067090468.db2.gz YLBJHBDXZQYVDA-HHHXNRCGSA-N 0 3 457.574 4.957 20 30 JJEDHN CCCN(CC(=O)Nc1c(C#N)c(C)c(C)n1-c1cccc(F)c1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC001459538575 1067347595 /nfs/dbraw/zinc/34/75/95/1067347595.db2.gz GJHOWQJFGCDVNJ-ZTCOLXNVSA-N 0 3 452.574 4.569 20 30 JJEDHN CC(C)C[C@H](NCC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 ZINC001459842302 1067449620 /nfs/dbraw/zinc/44/96/20/1067449620.db2.gz GWPZENIWIGMCJM-ZEQRLZLVSA-N 0 3 456.993 4.565 20 30 JJEDHN CC(C)(C)OC(=O)NC[C@H](NCCC(=O)Nc1cccc(C#N)c1)c1ccc2ccccc2c1 ZINC001459848217 1067453669 /nfs/dbraw/zinc/45/36/69/1067453669.db2.gz GOEAFLSYCKAZSK-DEOSSOPVSA-N 0 3 458.562 4.896 20 30 JJEDHN CC(C)(C)OC(=O)NC[C@H](NCCC(=O)Nc1ccc(C#N)cc1)c1ccc2ccccc2c1 ZINC001459850485 1067455627 /nfs/dbraw/zinc/45/56/27/1067455627.db2.gz KRHCJWJTIWBBNJ-DEOSSOPVSA-N 0 3 458.562 4.896 20 30 JJEDHN Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N[C@@H](C)c2ccc(NC(=O)c3ccncc3)cc2)cc1 ZINC001459858542 1067460417 /nfs/dbraw/zinc/46/04/17/1067460417.db2.gz OOLPTXNSQDGOTK-LEWJYISDSA-N 0 3 455.562 4.628 20 30 JJEDHN COc1ccc(C[C@@H](N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c2ccc(OC)cc2)cc1 ZINC001459862617 1067462375 /nfs/dbraw/zinc/46/23/75/1067462375.db2.gz DLHMUWKBUZOGII-KAYWLYCHSA-N 0 3 455.558 4.644 20 30 JJEDHN Cc1c(C)n(-c2ccccc2)c(NC(=O)CN[C@@H]2C[C@H](OCc3ccccc3)C2(C)C)c1C#N ZINC001460119269 1067559000 /nfs/dbraw/zinc/55/90/00/1067559000.db2.gz GSNURBJJEVCESC-RPBOFIJWSA-N 0 3 456.590 4.878 20 30 JJEDHN COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN[C@H](CCCC#N)c2ccccc2)cc1 ZINC001460168715 1067568790 /nfs/dbraw/zinc/56/87/90/1067568790.db2.gz IRNZCBZRYCHDLP-RUZDIDTESA-N 0 3 455.562 4.938 20 30 JJEDHN C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)CCCN1CCN(c2ccccc2)CC1 ZINC001461064075 1067773862 /nfs/dbraw/zinc/77/38/62/1067773862.db2.gz FCWLOYNPVANSFI-HXUWFJFHSA-N 0 3 458.528 4.548 20 30 JJEDHN COc1ccc(CN[C@@H]2Cc3ccccc3N(C(=O)OC(C)(C)C)C2)cc1OCCCC#N ZINC001461616393 1067902651 /nfs/dbraw/zinc/90/26/51/1067902651.db2.gz LBWKGRLQHZFEOM-OAQYLSRUSA-N 0 3 451.567 4.834 20 30 JJEDHN N#Cc1ccc(CS(=O)(=O)N2CCCCC[C@H]2C2CCN(Cc3ccccc3)CC2)cc1 ZINC001463834463 1068541276 /nfs/dbraw/zinc/54/12/76/1068541276.db2.gz LPCMTHYIAYLILG-SANMLTNESA-N 0 3 451.636 4.545 20 30 JJEDHN N#Cc1cc(F)cc(S(=O)(=O)N2CCCCC[C@@H]2C2CCN(Cc3ccccc3)CC2)c1 ZINC001463837477 1068542502 /nfs/dbraw/zinc/54/25/02/1068542502.db2.gz XQRHTZKXYKZPNI-RUZDIDTESA-N 0 3 455.599 4.543 20 30 JJEDHN N#Cc1c(Cl)nc(C(F)(F)N2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)nc1C(F)(F)F ZINC001164622493 719112787 /nfs/dbraw/zinc/11/27/87/719112787.db2.gz CAZNZGXWROLRJS-HOCLYGCPSA-N 0 3 471.861 4.666 20 30 JJEDHN N#Cc1cc(-c2ccnc(Cl)n2)c(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)cc1F ZINC001164906999 721706755 /nfs/dbraw/zinc/70/67/55/721706755.db2.gz PJRAWSAOPGXDGG-DEOSSOPVSA-N 0 3 498.940 4.940 20 30 JJEDHN N#Cc1cnc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c2cc(-c3ccccc3)sc21 ZINC001164975676 722122060 /nfs/dbraw/zinc/12/20/60/722122060.db2.gz KGACOUQFWGKANO-RDGATRHJSA-N 0 3 481.625 4.957 20 30 JJEDHN CC(C)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](c2cccs2)N(C)C)C1 ZINC001359745916 1064321524 /nfs/dbraw/zinc/32/15/24/1064321524.db2.gz UPQUMPXXCVIYHV-UNMCSNQZSA-N 0 3 464.639 4.575 20 30 JJEDHN CC(C)Cc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CCCSc1nccs1 ZINC001359841277 1064528314 /nfs/dbraw/zinc/52/83/14/1064528314.db2.gz IPCGBDKELRLQAC-UHFFFAOYSA-N 0 3 495.722 4.699 20 30 JJEDHN C=CCN1CCC(NC(=O)c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)CC1 ZINC001443530807 1066323969 /nfs/dbraw/zinc/32/39/69/1066323969.db2.gz JMORMXRBFZQMLE-UHFFFAOYSA-N 0 3 454.577 4.736 20 30 JJEDHN C[C@H]1CN(CCCCNC(=O)c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)C[C@H](C)O1 ZINC001445344738 1066559979 /nfs/dbraw/zinc/55/99/79/1066559979.db2.gz FVZFHKLMIKFTII-KBPBESRZSA-N 0 3 458.418 4.595 20 30 JJEDHN CN(CCN(Cc1ccccc1)C(=O)c1cc(-c2cccc(C#N)c2)no1)Cc1ccccc1 ZINC001457043173 1066751086 /nfs/dbraw/zinc/75/10/86/1066751086.db2.gz ZLYVSFUIYZUUEN-UHFFFAOYSA-N 0 3 450.542 4.988 20 30 JJEDHN CN1CCC(N(Cc2ccccc2Br)C(=O)CSc2ccc(C#N)cc2)CC1 ZINC001450696026 1067104352 /nfs/dbraw/zinc/10/43/52/1067104352.db2.gz ARDDZQTWUJCMAJ-UHFFFAOYSA-N 0 3 458.425 4.536 20 30 JJEDHN CCC(CC)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H]1CCC[C@@H](C)C1)N1CCOCC1 ZINC001545807895 1067130219 /nfs/dbraw/zinc/13/02/19/1067130219.db2.gz PFAZAKSTDZDPQA-NYMACZPPSA-N 0 3 478.685 4.969 20 30 JJEDHN C[C@@H]1CCc2c(C#N)c(NC(=O)CCN3C[C@@H](C)N(Cc4ccccc4)C[C@H]3C)sc2C1 ZINC001459771912 1067415665 /nfs/dbraw/zinc/41/56/65/1067415665.db2.gz OGBNXXDGVXJLHD-VAMGGRTRSA-N 0 3 450.652 4.668 20 30 JJEDHN Cc1ccc(S(=O)(=O)NC[C@H]2CCCN(Cc3ccc(-c4ccccc4C#N)cc3)C2)cc1 ZINC001459795010 1067427037 /nfs/dbraw/zinc/42/70/37/1067427037.db2.gz IZGGPPVBWAVBRJ-HSZRJFAPSA-N 0 3 459.615 4.724 20 30 JJEDHN CCCCc1ccc([C@H](NCC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C(C)C)cc1 ZINC001459847492 1067453061 /nfs/dbraw/zinc/45/30/61/1067453061.db2.gz ZVUFDWBATQEYGJ-ZEQKJWHPSA-N 0 3 452.668 4.786 20 30 JJEDHN N#C[C@@H](c1cccs1)N1CCN(C(=O)CN[C@@H](c2ccc(Cl)cc2)C2CCCC2)CC1 ZINC001459850752 1067455583 /nfs/dbraw/zinc/45/55/83/1067455583.db2.gz NVXGMFFRBBUKJT-XUZZJYLKSA-N 0 3 457.043 4.631 20 30 JJEDHN CC(C)(C)OC(=O)NC[C@@H](NCCC(=O)Nc1ccc(C#N)cc1)c1ccc2ccccc2c1 ZINC001459850487 1067455684 /nfs/dbraw/zinc/45/56/84/1067455684.db2.gz KRHCJWJTIWBBNJ-XMMPIXPASA-N 0 3 458.562 4.896 20 30 JJEDHN Cc1ccc(N(CCC#N)C(=O)[C@H](C)N[C@H](C)c2ccc(NC(=O)c3ccncc3)cc2)cc1 ZINC001459858546 1067460311 /nfs/dbraw/zinc/46/03/11/1067460311.db2.gz OOLPTXNSQDGOTK-RTWAWAEBSA-N 0 3 455.562 4.628 20 30 JJEDHN Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N[C@H](C)c2ccc(NC(=O)c3ccncc3)cc2)cc1 ZINC001459858544 1067460378 /nfs/dbraw/zinc/46/03/78/1067460378.db2.gz OOLPTXNSQDGOTK-NHCUHLMSSA-N 0 3 455.562 4.628 20 30 JJEDHN C#Cc1cccc(NC(=O)NC(=O)CN[C@@](C)(CCCC)c2cccc(Br)c2)c1 ZINC001460049405 1067539277 /nfs/dbraw/zinc/53/92/77/1067539277.db2.gz HBZNXMJYDQDPQD-QHCPKHFHSA-N 0 3 456.384 4.774 20 30 JJEDHN C[C@@H]1CN(CC(=O)Nc2sc3c(c2C#N)CCCCC3)[C@H](C)[C@@H](C)N1Cc1ccccc1 ZINC001460341388 1067612003 /nfs/dbraw/zinc/61/20/03/1067612003.db2.gz GUIJFGFBGPEECJ-VAMGGRTRSA-N 0 3 450.652 4.810 20 30 JJEDHN O=C(CCN1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)Nc1ccccc1Cl ZINC001460879477 1067740777 /nfs/dbraw/zinc/74/07/77/1067740777.db2.gz WVBFDHFPEUBNTL-AOOOYVTPSA-N 0 3 450.757 4.771 20 30 JJEDHN C#CCOc1ccc(Br)cc1CNC[C@H](C)Oc1cccc(Br)c1 ZINC001461261930 1067813121 /nfs/dbraw/zinc/81/31/21/1067813121.db2.gz ZAHHVGMLHGBLDR-AWEZNQCLSA-N 0 3 453.174 4.781 20 30 JJEDHN N#Cc1cccc(COc2cccc(NC(=O)c3ccc(CN4CCC(CO)CC4)cc3)c2)c1 ZINC001464188833 1068648853 /nfs/dbraw/zinc/64/88/53/1068648853.db2.gz MKHYASCODCPRCI-UHFFFAOYSA-N 0 3 455.558 4.594 20 30 JJEDHN N#Cc1c(Cl)nc2cccc(Cl)c2c1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164972646 722159571 /nfs/dbraw/zinc/15/95/71/722159571.db2.gz IUYFYOKYZHVSIV-UTKZUKDTSA-N 0 3 468.388 4.536 20 30 JJEDHN