smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CSc1nc(Cl)c(C#N)c(N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164740768 720600361 /nfs/dbraw/zinc/60/03/61/720600361.db2.gz IWZTWBTXHICCQK-NWDGAFQWSA-N 0 1 403.899 1.855 20 30 HDEDMN CN(C)C(=O)CN1CCOCC2(CCN(c3nc4c(cc3C#N)CCCC4)CC2)C1 ZINC001164872943 721285588 /nfs/dbraw/zinc/28/55/88/721285588.db2.gz IVMRTOXKGIPZBV-UHFFFAOYSA-N 0 1 411.550 1.839 20 30 HDEDMN CN1CCN(C[C@H]2CCC[C@]3(CCN(c4nc(C#N)ccc4[N+](=O)[O-])C3)O2)CC1 ZINC001164883762 721409523 /nfs/dbraw/zinc/40/95/23/721409523.db2.gz CADCUEHRGYXSOC-YLJYHZDGSA-N 0 1 400.483 1.627 20 30 HDEDMN COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1C[C@H]2CN(CC3CC3)C[C@@H](C1)O2 ZINC001164966910 722075925 /nfs/dbraw/zinc/07/59/25/722075925.db2.gz GYJODWHGEXIKTN-IXDOHACOSA-N 0 1 407.474 1.709 20 30 HDEDMN Cc1nc(CN2CCN(C(=O)Nc3ccn(-c4ccc(C#N)cc4F)n3)CC2)n[nH]1 ZINC000543655647 1075357375 /nfs/dbraw/zinc/35/73/75/1075357375.db2.gz CIBBDSVEYHSEBV-UHFFFAOYSA-N 0 1 409.429 1.659 20 30 HDEDMN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)CC(C)C ZINC000589488680 1075388747 /nfs/dbraw/zinc/38/87/47/1075388747.db2.gz RJMPTGBMQFEDNF-QGZVFWFLSA-N 0 1 420.477 1.883 20 30 HDEDMN COc1cccc([C@H](CNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)N(C)C)c1 ZINC000540273660 1075495073 /nfs/dbraw/zinc/49/50/73/1075495073.db2.gz NOKMRMARVMAUKR-KRWDZBQOSA-N 0 1 412.494 1.876 20 30 HDEDMN O=C(CCN=C1NS(=O)(=O)c2ccccc21)NCc1nc2ccc(Cl)cc2[nH]1 ZINC000731874862 1075549784 /nfs/dbraw/zinc/54/97/84/1075549784.db2.gz VUTATDACUCEUOB-UHFFFAOYSA-N 0 1 417.878 1.961 20 30 HDEDMN CN(C(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)[C@@H]1CCN(C2CC2)C1 ZINC000439600872 1075584897 /nfs/dbraw/zinc/58/48/97/1075584897.db2.gz YLOOWZNEZCGPRM-OAHLLOKOSA-N 0 1 412.881 2.031 20 30 HDEDMN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3ccc4c(c3)n[nH]c4C=O)CC2)o1 ZINC000766175800 1075607223 /nfs/dbraw/zinc/60/72/23/1075607223.db2.gz NDCBDPHTBPVIOW-UHFFFAOYSA-N 0 1 422.401 1.049 20 30 HDEDMN Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCO[C@H](c3nn[nH]n3)C2)cc1C ZINC000732088452 1075621796 /nfs/dbraw/zinc/62/17/96/1075621796.db2.gz BXZQTHAKRVTYDE-KRWDZBQOSA-N 0 1 406.450 1.807 20 30 HDEDMN CN(C)Cc1ccc(CNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)cc1F ZINC000553102944 1075742653 /nfs/dbraw/zinc/74/26/53/1075742653.db2.gz PDTCHKASZGGPMZ-UHFFFAOYSA-N 0 1 400.458 1.965 20 30 HDEDMN N#C[C@@H](C(=O)c1ccnc(NC(=O)C2CC2)c1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000560527379 1075745158 /nfs/dbraw/zinc/74/51/58/1075745158.db2.gz KLZQIFKYMROZIG-HNNXBMFYSA-N 0 1 414.429 1.853 20 30 HDEDMN N#CC(C(=O)c1ccnc(NC(=O)C2CC2)c1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000560527379 1075745161 /nfs/dbraw/zinc/74/51/61/1075745161.db2.gz KLZQIFKYMROZIG-HNNXBMFYSA-N 0 1 414.429 1.853 20 30 HDEDMN N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CSc2nc(N)cc(N)n2)CC1 ZINC000444402535 1075745757 /nfs/dbraw/zinc/74/57/57/1075745757.db2.gz JLCYMFWDWGCGMG-CQSZACIVSA-N 0 1 401.471 1.281 20 30 HDEDMN COc1ccc([C@H](CNC(=O)N2CCN(C3CC3)[C@H](C#N)C2)N(C)C)cc1OC ZINC000732701143 1075835333 /nfs/dbraw/zinc/83/53/33/1075835333.db2.gz PUZIBUZMNDSXSE-MSOLQXFVSA-N 0 1 401.511 1.688 20 30 HDEDMN C[C@H](NCC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1)c1cccc(C#N)c1 ZINC000611387767 1075923416 /nfs/dbraw/zinc/92/34/16/1075923416.db2.gz SONXCJCPGYKJOW-IPELMVKDSA-N 0 1 405.520 1.404 20 30 HDEDMN COC(=O)CCN(CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)C(C)C ZINC000611429863 1075930116 /nfs/dbraw/zinc/93/01/16/1075930116.db2.gz IHRJWQULZQDQMC-LJQANCHMSA-N 0 1 404.486 1.808 20 30 HDEDMN N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN[C@@]2(CO)CCc3ccccc32)CC1 ZINC000611431040 1075930766 /nfs/dbraw/zinc/93/07/66/1075930766.db2.gz IOKKNKRLYDLMHJ-ISKFKSNPSA-N 0 1 422.504 1.958 20 30 HDEDMN N#C[C@H](c1cccs1)N1CCN(C(=O)CN[C@]2(CO)CCc3ccccc32)CC1 ZINC000611430966 1075930800 /nfs/dbraw/zinc/93/08/00/1075930800.db2.gz HVHOFTBACWAUNR-KNQAVFIVSA-N 0 1 410.543 1.881 20 30 HDEDMN N#C[C@@H](c1cccs1)N1CCN(C(=O)CN[C@]2(CO)CCc3ccccc32)CC1 ZINC000611430969 1075931122 /nfs/dbraw/zinc/93/11/22/1075931122.db2.gz HVHOFTBACWAUNR-UGKGYDQZSA-N 0 1 410.543 1.881 20 30 HDEDMN Cc1ccc(C(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)cc1S(N)(=O)=O ZINC000611505712 1075950253 /nfs/dbraw/zinc/95/02/53/1075950253.db2.gz YQBJDGZAJBLLRK-UHFFFAOYSA-N 0 1 412.515 1.931 20 30 HDEDMN Cc1cc(C(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)ccc1S(N)(=O)=O ZINC000611505687 1075950274 /nfs/dbraw/zinc/95/02/74/1075950274.db2.gz VZYVAGFUMWMCHY-UHFFFAOYSA-N 0 1 412.515 1.931 20 30 HDEDMN CC(C)C#CC(=O)NCCCCCN1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC001079161185 1075966003 /nfs/dbraw/zinc/96/60/03/1075966003.db2.gz WMHZHYCXIBILEL-JRHPMUGDSA-N 0 1 401.551 1.500 20 30 HDEDMN CC(C)C#CC(=O)N1CCN(CCCCCNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC001079162993 1075966269 /nfs/dbraw/zinc/96/62/69/1075966269.db2.gz MANJELVMHAMDTR-JRHPMUGDSA-N 0 1 401.551 1.500 20 30 HDEDMN N#Cc1ccc(CCC(=O)[N-]S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000733858263 1076234540 /nfs/dbraw/zinc/23/45/40/1076234540.db2.gz WXZJDUKNHMSYDG-UHFFFAOYSA-N 0 1 412.515 1.670 20 30 HDEDMN C#Cc1cccc(NC(=O)CNC(=O)N[C@@H](CN2CCN(C)CC2)c2ccccc2)c1 ZINC000727940261 1076291567 /nfs/dbraw/zinc/29/15/67/1076291567.db2.gz FTODVAYFTRMXNK-QFIPXVFZSA-N 0 1 419.529 1.894 20 30 HDEDMN O=C([O-])C(F)(F)Oc1ccc(C=NNC(=S)NCCC[NH+]2CCOCC2)cc1 ZINC000730727513 1076643636 /nfs/dbraw/zinc/64/36/36/1076643636.db2.gz WBQCGYTURJKRQR-UHFFFAOYSA-N 0 1 416.450 1.263 20 30 HDEDMN C=CCNC(=O)c1cccnc1N1CC[C@]2(C1)CCC[C@H](CN1CCN(C)CC1)O2 ZINC001164890715 721433934 /nfs/dbraw/zinc/43/39/34/721433934.db2.gz DKOLSECHLOVVSX-XXBNENTESA-N 0 1 413.566 1.763 20 30 HDEDMN CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4nc5c(cc4C#N)COCC5)C3)O2)CC1 ZINC001164897801 721443387 /nfs/dbraw/zinc/44/33/87/721443387.db2.gz URWBEVULQOZNJL-NZQKXSOJSA-N 0 1 411.550 1.791 20 30 HDEDMN Cn1c(N2CCN(C(c3ccccc3)c3ccccc3)CC2)c(C#N)c(=O)n(C)c1=O ZINC000022090193 1073522656 /nfs/dbraw/zinc/52/26/56/1073522656.db2.gz ZTNMPHYYLUKCOU-UHFFFAOYSA-N 0 1 415.497 1.867 20 30 HDEDMN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCN(C[C@@H]3CCOC3)CC2)cc1 ZINC000429093341 1073547397 /nfs/dbraw/zinc/54/73/97/1073547397.db2.gz ARAHYJINNJVUHR-KRWDZBQOSA-N 0 1 422.551 1.679 20 30 HDEDMN N#Cc1ccc(CN2CCCN(C(=O)NCCC3CCS(=O)(=O)CC3)CC2)cc1 ZINC000509141740 1073712543 /nfs/dbraw/zinc/71/25/43/1073712543.db2.gz UBMXCSJVFATEEH-UHFFFAOYSA-N 0 1 418.563 1.990 20 30 HDEDMN C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000509366220 1075266244 /nfs/dbraw/zinc/26/62/44/1075266244.db2.gz ROXONFJIWHEPEB-OALUTQOASA-N 0 1 420.583 1.394 20 30 HDEDMN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CC(C)C ZINC000589488676 1075389295 /nfs/dbraw/zinc/38/92/95/1075389295.db2.gz RJMPTGBMQFEDNF-KRWDZBQOSA-N 0 1 420.477 1.883 20 30 HDEDMN N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N2CCO[C@@H](c3nn[nH]n3)C2)CC1 ZINC000731852741 1075534687 /nfs/dbraw/zinc/53/46/87/1075534687.db2.gz FIUUBNPXBFRSSZ-OAHLLOKOSA-N 0 1 424.421 1.136 20 30 HDEDMN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3nnc4ccccc4c3O)CC2)cc1 ZINC000731867956 1075559374 /nfs/dbraw/zinc/55/93/74/1075559374.db2.gz DWLDPXAEIMEBHH-UHFFFAOYSA-N 0 1 423.454 1.354 20 30 HDEDMN CCCCOc1ccc(C=NOCC(=O)N2CCO[C@@H](c3nn[nH]n3)C2)cc1OC ZINC000732091208 1075627593 /nfs/dbraw/zinc/62/75/93/1075627593.db2.gz VKAXFMWGGHCDIL-QGZVFWFLSA-N 0 1 418.454 1.338 20 30 HDEDMN CCOc1ccc(NC(=O)CN(C)CCCc2[nH]nc(N)c2C#N)c([N+](=O)[O-])c1 ZINC000535549991 1075658057 /nfs/dbraw/zinc/65/80/57/1075658057.db2.gz ZVUNXMHHWALTMZ-UHFFFAOYSA-N 0 1 401.427 1.674 20 30 HDEDMN CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)CN(C)c2ncnc3[nH]cnc32)C1=O ZINC000732257981 1075688645 /nfs/dbraw/zinc/68/86/45/1075688645.db2.gz CJBFUEGIAQYIDP-LJQANCHMSA-N 0 1 416.486 1.491 20 30 HDEDMN COc1ccc(-c2cc(C(=O)N(C)CCCc3[nH]nc(N)c3C#N)n[nH]2)cc1OC ZINC000537151575 1075707645 /nfs/dbraw/zinc/70/76/45/1075707645.db2.gz TYOUSKKBLVJMGL-UHFFFAOYSA-N 0 1 409.450 1.976 20 30 HDEDMN C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@@H](C)CN1CCN(C)CC1 ZINC000429473764 1075727944 /nfs/dbraw/zinc/72/79/44/1075727944.db2.gz WAKYPOFQLMSPKD-CVEARBPZSA-N 0 1 403.552 1.629 20 30 HDEDMN Cc1cc(NC(=O)CN(C)CCCc2[nH]nc(N)c2C#N)n(-c2nc(C)cc(C)n2)n1 ZINC000534834685 1075742578 /nfs/dbraw/zinc/74/25/78/1075742578.db2.gz ZWDRAVKGISEJCM-UHFFFAOYSA-N 0 1 422.497 1.268 20 30 HDEDMN COc1cccc([C@H](CNC(=O)NCCNC(=O)C2N=CC=CC2=O)N(C)C)c1 ZINC000732439019 1075744499 /nfs/dbraw/zinc/74/44/99/1075744499.db2.gz DCZLQEKABLNUKU-NXDJFEHLSA-N 0 1 401.467 1.124 20 30 HDEDMN Cc1cc([C@@H](C#N)C(=O)CNC(=O)[C@@H]2c3ccccc3C(=O)N2C2CC2)nc(C)n1 ZINC000732495522 1075768406 /nfs/dbraw/zinc/76/84/06/1075768406.db2.gz XSHQUMXMLGPXDY-XLIONFOSSA-N 0 1 403.442 1.745 20 30 HDEDMN CCCC[C@@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)NCc1cc(CC)[nH]n1 ZINC000732793548 1075858810 /nfs/dbraw/zinc/85/88/10/1075858810.db2.gz DCQGSBWFFFYDMO-MRXNPFEDSA-N 0 1 403.508 1.886 20 30 HDEDMN COc1ccc(CN2CCCN(C(=O)CCNC(=O)C3N=CC=CC3=O)CC2)cc1 ZINC000733890215 1076252001 /nfs/dbraw/zinc/25/20/01/1076252001.db2.gz FKYYKENFBFKWNB-DQRAZIAOSA-N 0 1 412.490 1.646 20 30 HDEDMN C#CCOc1ccc(NC(=O)C(=O)NCc2ccc(N3CCN(C)CC3)nc2)cc1 ZINC000731123088 1076726840 /nfs/dbraw/zinc/72/68/40/1076726840.db2.gz DCTJQALTJVUUCS-UHFFFAOYSA-N 0 1 407.474 1.100 20 30 HDEDMN N#CCNC(=O)COC(=O)c1ccc(Cl)cc1NS(=O)(=O)c1ccccc1 ZINC000731243123 1076773454 /nfs/dbraw/zinc/77/34/54/1076773454.db2.gz BVXSUKORXOBWAW-UHFFFAOYSA-N 0 1 407.835 1.937 20 30 HDEDMN CN1CCN(C[C@H]2CCC[C@]3(CCN(c4ncc([N+](=O)[O-])cc4C#N)C3)O2)CC1 ZINC001164887753 721404696 /nfs/dbraw/zinc/40/46/96/721404696.db2.gz NFMWYVGCBZBZKV-UYAOXDASSA-N 0 1 400.483 1.627 20 30 HDEDMN COc1nc(N2CC[C@@]3(C2)CCC[C@@H](CN2CCN(C)CC2)O3)c(F)cc1C#N ZINC001164888830 721430822 /nfs/dbraw/zinc/43/08/22/721430822.db2.gz BBFDIFIKGHYHPY-LAUBAEHRSA-N 0 1 403.502 1.866 20 30 HDEDMN N#Cc1nc(Cl)c(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nc1C#N ZINC001164971413 722119163 /nfs/dbraw/zinc/11/91/63/722119163.db2.gz CJWZYKRZVKAVQB-YJBOKZPZSA-N 0 1 409.881 1.996 20 30 HDEDMN Cn1c2ccccc2n(CC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)c1=O ZINC000029985760 1073907873 /nfs/dbraw/zinc/90/78/73/1073907873.db2.gz KFYUEOLQYISNBG-UHFFFAOYSA-N 0 1 403.486 1.946 20 30 HDEDMN CCN(C(=O)C(=O)Nc1cc(C)n(CCC#N)n1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000446869105 1075186236 /nfs/dbraw/zinc/18/62/36/1075186236.db2.gz WTWMHNDMUGKWGI-LJQANCHMSA-N 0 1 408.506 2.167 20 30 HDEDMN N#Cc1ccccc1COc1cccc(CNCCS(=O)(=O)N2CCOCC2)c1 ZINC000731360442 1075320972 /nfs/dbraw/zinc/32/09/72/1075320972.db2.gz DGAMKLCRKUZRHZ-UHFFFAOYSA-N 0 1 415.515 1.889 20 30 HDEDMN COc1ccc(CNC(=S)NN=C2CCN(CCN3CCOCC3)CC2)cc1 ZINC000731557407 1075382056 /nfs/dbraw/zinc/38/20/56/1075382056.db2.gz MEYRMBXYJULSSV-UHFFFAOYSA-N 0 1 405.568 1.443 20 30 HDEDMN C[C@@H](C(=O)Nc1cccc(N2CCCC2=O)c1)N(C)CCCc1[nH]nc(N)c1C#N ZINC000534833191 1075669003 /nfs/dbraw/zinc/66/90/03/1075669003.db2.gz IEZKPHBROHFHPF-AWEZNQCLSA-N 0 1 409.494 1.882 20 30 HDEDMN C[C@H](C(=O)Nc1cccc(N2CCCC2=O)c1)N(C)CCCc1[nH]nc(N)c1C#N ZINC000534833192 1075709999 /nfs/dbraw/zinc/70/99/99/1075709999.db2.gz IEZKPHBROHFHPF-CQSZACIVSA-N 0 1 409.494 1.882 20 30 HDEDMN O=C(NCCNC(=O)C1N=CC=CC1=O)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000732439041 1075744448 /nfs/dbraw/zinc/74/44/48/1075744448.db2.gz DMQYXSBNGDVXQK-MJWGMMHASA-N 0 1 401.467 1.632 20 30 HDEDMN C[C@@H](CN1CCN(C)CC1)NC(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000429477341 1075746080 /nfs/dbraw/zinc/74/60/80/1075746080.db2.gz PVUDNEUPSXZCNE-HOTGVXAUSA-N 0 1 403.552 1.771 20 30 HDEDMN CC(C)(C)CCN1CCN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)CC1 ZINC000492579860 1075752505 /nfs/dbraw/zinc/75/25/05/1075752505.db2.gz BTRMNGBQQMNYAE-UHFFFAOYSA-N 0 1 423.521 1.717 20 30 HDEDMN CN1CCN(C)[C@@H](CNC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)C1 ZINC000732484435 1075762612 /nfs/dbraw/zinc/76/26/12/1075762612.db2.gz DFLSPXHXCSXOOR-LEWJYISDSA-N 0 1 405.502 1.643 20 30 HDEDMN N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN[C@]2(CO)CCc3ccccc32)CC1 ZINC000611431043 1075930820 /nfs/dbraw/zinc/93/08/20/1075930820.db2.gz IOKKNKRLYDLMHJ-VWNXMTODSA-N 0 1 422.504 1.958 20 30 HDEDMN CS(=O)(=O)CCNN=Cc1cc(Br)cc(Br)c1O ZINC000733205706 1076007302 /nfs/dbraw/zinc/00/73/02/1076007302.db2.gz IIXFRYHOACVJRO-UHFFFAOYSA-N 0 1 400.092 1.885 20 30 HDEDMN O=C(NCCNCc1cc2ccccc2nc1N1CCOCC1)C1N=CC=CC1=O ZINC000733333757 1076045762 /nfs/dbraw/zinc/04/57/62/1076045762.db2.gz UZTDVCPHGXCQRC-XDOYNYLZSA-N 0 1 407.474 1.687 20 30 HDEDMN C=CCN(CC=C)C(=O)[C@H](C)OC(=O)c1cc(NC(C)=O)ccc1NS(C)(=O)=O ZINC000728106570 1076336221 /nfs/dbraw/zinc/33/62/21/1076336221.db2.gz ZNVDVKBZBDIEKN-ZDUSSCGKSA-N 0 1 423.491 1.762 20 30 HDEDMN CCOCCO[C@@H](C)C(=O)C(C#N)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000729890211 1076380862 /nfs/dbraw/zinc/38/08/62/1076380862.db2.gz ZCKLYPWNUDTNNH-RYUDHWBXSA-N 0 1 407.379 1.455 20 30 HDEDMN CCOC(=O)C1C(CN2CCO[C@H](C#N)C2)=NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000730062741 1076417531 /nfs/dbraw/zinc/41/75/31/1076417531.db2.gz RADMTZGOXQEJSA-QAPCUYQASA-N 0 1 400.435 1.091 20 30 HDEDMN CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4nc(C#N)c(C#N)nc4Cl)C3)O2)CC1 ZINC001164884705 721411704 /nfs/dbraw/zinc/41/17/04/721411704.db2.gz FKBHBJTXCFIAOW-MGPUTAFESA-N 0 1 415.929 1.639 20 30 HDEDMN CN1CCN(C[C@H]2CCC[C@]3(CCN(c4nc5c(cc4C#N)COCC5)C3)O2)CC1 ZINC001164897785 721443621 /nfs/dbraw/zinc/44/36/21/721443621.db2.gz URWBEVULQOZNJL-NFBKMPQASA-N 0 1 411.550 1.791 20 30 HDEDMN CC(C)c1nc([C@@H](C)NC(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)n[nH]1 ZINC000542072157 1074681055 /nfs/dbraw/zinc/68/10/55/1074681055.db2.gz GSLAZWLBQKYEIS-LLVKDONJSA-N 0 1 410.413 1.940 20 30 HDEDMN COc1ccc([C@H](CN(C)C)NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)cc1 ZINC000551772947 1075456625 /nfs/dbraw/zinc/45/66/25/1075456625.db2.gz UUBXJXIASWSGAW-KRWDZBQOSA-N 0 1 412.494 1.876 20 30 HDEDMN Cc1cc(C(=O)C(C#N)c2nc(N)nc(Nc3ccccc3)n2)ccc1-n1cncn1 ZINC000442640370 1075735578 /nfs/dbraw/zinc/73/55/78/1075735578.db2.gz AOPVCKRLTBCSCS-MRXNPFEDSA-N 0 1 411.429 1.999 20 30 HDEDMN C[C@@H](CN1CCN(C)CC1)NC(=O)C(=O)Nc1ccccc1Oc1ncccc1C#N ZINC000429477897 1075742892 /nfs/dbraw/zinc/74/28/92/1075742892.db2.gz RAJUESMBEBNSIM-INIZCTEOSA-N 0 1 422.489 1.436 20 30 HDEDMN C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000543606219 1075852692 /nfs/dbraw/zinc/85/26/92/1075852692.db2.gz HSEVKZJQKFFNIT-SUMWQHHRSA-N 0 1 410.459 1.249 20 30 HDEDMN C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000543606216 1075852810 /nfs/dbraw/zinc/85/28/10/1075852810.db2.gz HSEVKZJQKFFNIT-CXAGYDPISA-N 0 1 410.459 1.249 20 30 HDEDMN COc1ccc([C@@H](CNC(=O)CN2CCN(CCC#N)CC2)N2CCCCC2)cc1 ZINC000611174072 1075867542 /nfs/dbraw/zinc/86/75/42/1075867542.db2.gz VQFFBYYAQKZKAD-JOCHJYFZSA-N 0 1 413.566 1.870 20 30 HDEDMN N#C[C@H](C(=O)C=Cc1ccc(Br)o1)C(=O)N1CCS(=O)(=O)CC1 ZINC000732911220 1075909215 /nfs/dbraw/zinc/90/92/15/1075909215.db2.gz YBUGPAFYJFYVNQ-JHSHHRBUSA-N 0 1 401.238 1.021 20 30 HDEDMN N#C[C@@H](C(=O)C=Cc1ccc(Br)o1)C(=O)N1CCS(=O)(=O)CC1 ZINC000732911223 1075909547 /nfs/dbraw/zinc/90/95/47/1075909547.db2.gz YBUGPAFYJFYVNQ-VEPLAOFISA-N 0 1 401.238 1.021 20 30 HDEDMN Cc1cc(NC(=O)CN[C@@H](C)c2cccc(C#N)c2)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000611387236 1075923475 /nfs/dbraw/zinc/92/34/75/1075923475.db2.gz IIJIHUYICMDKTK-WMLDXEAASA-N 0 1 401.492 1.712 20 30 HDEDMN CN(CCC#N)c1ccc(CNCc2ccccc2S(=O)(=O)N(C)CCO)cc1 ZINC000733333535 1076045661 /nfs/dbraw/zinc/04/56/61/1076045661.db2.gz PJMLYPJQNDUCEI-UHFFFAOYSA-N 0 1 416.547 1.939 20 30 HDEDMN O=C(NCCNCc1cc2ccccc2nc1N1CCOCC1)C1N=CC=CC1=O ZINC000733333756 1076045675 /nfs/dbraw/zinc/04/56/75/1076045675.db2.gz UZTDVCPHGXCQRC-LSDHQDQOSA-N 0 1 407.474 1.687 20 30 HDEDMN C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2cccc3c2CN([C@@H](C)C(C)C)C3)CC1 ZINC000727947637 1076293379 /nfs/dbraw/zinc/29/33/79/1076293379.db2.gz PPKXOQGYJLQYCG-KRWDZBQOSA-N 0 1 424.545 1.973 20 30 HDEDMN Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)OCC(=O)NCCC#N)cc1 ZINC000734043814 1076297865 /nfs/dbraw/zinc/29/78/65/1076297865.db2.gz LEOOFLUUOKXEPT-UHFFFAOYSA-N 0 1 401.444 1.983 20 30 HDEDMN N#Cc1ccc(N2CC[C@@H](OC(=O)CCNC(=O)c3n[nH]c4ccccc43)C2=O)cc1 ZINC000728102814 1076331752 /nfs/dbraw/zinc/33/17/52/1076331752.db2.gz QPTREEISEOKBRZ-GOSISDBHSA-N 0 1 417.425 1.903 20 30 HDEDMN C=CCn1c(=O)c2ccc(C(=O)N[C@@H]3CCC[N@H+](CCOC)C3)cc2[n-]c1=S ZINC000729981043 1076406144 /nfs/dbraw/zinc/40/61/44/1076406144.db2.gz URHOZDYSIINSSN-OAHLLOKOSA-N 0 1 402.520 1.712 20 30 HDEDMN C#CCOc1cccc(NC(=O)C(=O)NCCN2CCN(Cc3ccccc3)CC2)c1 ZINC000731125987 1076733914 /nfs/dbraw/zinc/73/39/14/1076733914.db2.gz PMIIYFFYIAAOIT-UHFFFAOYSA-N 0 1 420.513 1.571 20 30 HDEDMN N#CCNC(=O)COC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)c(F)c1 ZINC000731235592 1076762564 /nfs/dbraw/zinc/76/25/64/1076762564.db2.gz HJFJPYHDHDYFLK-UHFFFAOYSA-N 0 1 409.370 1.562 20 30 HDEDMN CCc1nc(C#N)c(C#N)nc1N1CC[C@@]2(C1)CCC[C@H](CN1CCN(C)CC1)O2 ZINC001164894934 721446181 /nfs/dbraw/zinc/44/61/81/721446181.db2.gz NOGUXVWRSNYOQI-VGOFRKELSA-N 0 1 409.538 1.548 20 30 HDEDMN N#Cc1nc(Cl)c(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nc1C#N ZINC001164971412 722119402 /nfs/dbraw/zinc/11/94/02/722119402.db2.gz CJWZYKRZVKAVQB-QAPCUYQASA-N 0 1 409.881 1.996 20 30 HDEDMN CC(C)c1nc([C@H](C)NC(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)n[nH]1 ZINC000513517590 1074681740 /nfs/dbraw/zinc/68/17/40/1074681740.db2.gz BKYHYIAXIAGNMP-NSHDSACASA-N 0 1 410.413 1.940 20 30 HDEDMN Cc1cc(NC(=O)C(=O)N[C@@H](CN(C)C)c2ccc(Cl)cc2)nn1CCC#N ZINC000580576327 1074766604 /nfs/dbraw/zinc/76/66/04/1074766604.db2.gz OYIMSLWPBYGIFY-INIZCTEOSA-N 0 1 402.886 2.116 20 30 HDEDMN CCN1CCN([C@@H]2CCN(C(=O)Nc3nn(-c4ccc(C#N)cn4)cc3C)C2)CC1 ZINC000462011406 1075233885 /nfs/dbraw/zinc/23/38/85/1075233885.db2.gz QSXSPFLJZZPVJT-GOSISDBHSA-N 0 1 408.510 1.691 20 30 HDEDMN COc1cc(CN=Nc2ccccc2S(C)(=O)=O)cc(OC)c1OCC(N)=O ZINC000731934412 1075575484 /nfs/dbraw/zinc/57/54/84/1075575484.db2.gz ZWVOSYAIFNATQU-UHFFFAOYSA-N 0 1 407.448 1.417 20 30 HDEDMN CN(C(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)[C@H]1CCN(C2CC2)C1 ZINC000439600871 1075584855 /nfs/dbraw/zinc/58/48/55/1075584855.db2.gz YLOOWZNEZCGPRM-HNNXBMFYSA-N 0 1 412.881 2.031 20 30 HDEDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N(C)CCCc1[nH]nc(N)c1C#N ZINC000534834836 1075629550 /nfs/dbraw/zinc/62/95/50/1075629550.db2.gz YUKVEEFZNUPGPP-LLVKDONJSA-N 0 1 401.427 1.672 20 30 HDEDMN COc1cc(NC(=O)CN(C)CCCc2[nH]nc(N)c2C#N)cc(OC)c1OC ZINC000534097057 1075698406 /nfs/dbraw/zinc/69/84/06/1075698406.db2.gz RBDPFOVOSZLDLO-UHFFFAOYSA-N 0 1 402.455 1.392 20 30 HDEDMN CN(C)Cc1cc(CNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)ccc1F ZINC000540259476 1075742534 /nfs/dbraw/zinc/74/25/34/1075742534.db2.gz UUUYZCUYOSAAKA-UHFFFAOYSA-N 0 1 400.458 1.965 20 30 HDEDMN C[C@@H](CC#N)N(C)S(=O)(=O)N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000509269941 1075781347 /nfs/dbraw/zinc/78/13/47/1075781347.db2.gz LIENRGGALAYXNL-GXFFZTMASA-N 0 1 402.402 1.981 20 30 HDEDMN CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)NCC2(N3CCSCC3)CCCC2)n1 ZINC000536973208 1075783544 /nfs/dbraw/zinc/78/35/44/1075783544.db2.gz RSHYSONPBDGHQM-UHFFFAOYSA-N 0 1 418.567 1.926 20 30 HDEDMN CCN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C[C@H]1C ZINC000611088212 1075827247 /nfs/dbraw/zinc/82/72/47/1075827247.db2.gz JVLIDMSSEAMXGT-MRXNPFEDSA-N 0 1 404.536 1.512 20 30 HDEDMN COc1cccc([C@@H](C#N)NC(=O)Cc2c(C)nc(-c3ncccn3)[nH]c2=O)c1OC ZINC000732763549 1075847140 /nfs/dbraw/zinc/84/71/40/1075847140.db2.gz JLNWJGQLZXVNRV-OAHLLOKOSA-N 0 1 420.429 1.888 20 30 HDEDMN C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H](c1nnc[nH]1)c1ccccc1 ZINC000543606164 1075853883 /nfs/dbraw/zinc/85/38/83/1075853883.db2.gz GGWCMRNSTOAXGO-DYVFJYSZSA-N 0 1 410.459 1.249 20 30 HDEDMN COc1ccc([C@H](CNC(=O)CN2CCN(CCC#N)CC2)N2CCCCC2)cc1 ZINC000611174073 1075867576 /nfs/dbraw/zinc/86/75/76/1075867576.db2.gz VQFFBYYAQKZKAD-QFIPXVFZSA-N 0 1 413.566 1.870 20 30 HDEDMN N#Cc1ccc(OC2CCC(NC(=O)N3CCN([C@H]4CCC[C@@H]4O)CC3)CC2)nc1 ZINC000611264832 1075888576 /nfs/dbraw/zinc/88/85/76/1075888576.db2.gz WHGRNOHQIQXCPF-GUMHCPJTSA-N 0 1 413.522 1.884 20 30 HDEDMN N#CC(C(=O)CCCCc1nc2ccccc2s1)C(=O)N1CCS(=O)(=O)CC1 ZINC000732910862 1075908783 /nfs/dbraw/zinc/90/87/83/1075908783.db2.gz UIQVUCSOZQQZBM-AWEZNQCLSA-N 0 1 419.528 1.975 20 30 HDEDMN N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN[C@@]2(CO)CCc3ccccc32)CC1 ZINC000611431041 1075930710 /nfs/dbraw/zinc/93/07/10/1075930710.db2.gz IOKKNKRLYDLMHJ-LADGPHEKSA-N 0 1 422.504 1.958 20 30 HDEDMN N#CCCn1cc(CNCCS(=O)(=O)N2CCOCC2)c(-c2ccccc2)n1 ZINC000733328636 1076044982 /nfs/dbraw/zinc/04/49/82/1076044982.db2.gz XTQPEXFOSDZDQS-UHFFFAOYSA-N 0 1 403.508 1.215 20 30 HDEDMN CC[C@@H](C#N)Oc1cc(CNC(=O)N[C@@H](C)CN2CCN(C)CC2)ccc1OC ZINC000733647639 1076140767 /nfs/dbraw/zinc/14/07/67/1076140767.db2.gz LLQNICHCDONQHP-WMZOPIPTSA-N 0 1 403.527 1.811 20 30 HDEDMN O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CCO[C@@H](CNCC#Cc2ccc(Cl)cc2)C1 ZINC001273292008 1076249225 /nfs/dbraw/zinc/24/92/25/1076249225.db2.gz KXIKUTPXYOEENX-ZJKGHYPUSA-N 0 1 400.906 1.932 20 30 HDEDMN N#Cc1ccc(CNC(=O)COC(=O)CCNC(=O)c2n[nH]c3ccccc32)cc1 ZINC000728100949 1076331242 /nfs/dbraw/zinc/33/12/42/1076331242.db2.gz YQAZYRINVCMZQM-UHFFFAOYSA-N 0 1 405.414 1.414 20 30 HDEDMN COc1ccc(N2CCN(CCCNC(=O)NC3CCN(CC#N)CC3)CC2)cc1 ZINC000730582966 1076603027 /nfs/dbraw/zinc/60/30/27/1076603027.db2.gz NAEZYJZGHXMXCM-UHFFFAOYSA-N 0 1 414.554 1.494 20 30 HDEDMN CSc1nc(Cl)c(C=NO)c(N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164736854 720656873 /nfs/dbraw/zinc/65/68/73/720656873.db2.gz BQIGPXHYTACRFN-NWDGAFQWSA-N 0 1 421.914 1.792 20 30 HDEDMN CCc1nc(C#N)c(C#N)nc1N1CC[C@]2(C1)CCC[C@H](CN1CCN(C)CC1)O2 ZINC001164894935 721446715 /nfs/dbraw/zinc/44/67/15/721446715.db2.gz NOGUXVWRSNYOQI-VGSWGCGISA-N 0 1 409.538 1.548 20 30 HDEDMN CN1CCN(Cc2cn3c(n2)CN(c2ccc(C4(C#N)CCOCC4)cn2)CC3)CC1 ZINC001164798503 721518124 /nfs/dbraw/zinc/51/81/24/721518124.db2.gz VAWYIVDWMUDNDF-UHFFFAOYSA-N 0 1 421.549 1.617 20 30 HDEDMN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCN(C[C@H]3CCOC3)CC2)cc1 ZINC000429093342 1073547499 /nfs/dbraw/zinc/54/74/99/1073547499.db2.gz ARAHYJINNJVUHR-QGZVFWFLSA-N 0 1 422.551 1.679 20 30 HDEDMN CCc1nc([C@H]2CN(C(=O)Nc3nn(-c4ccc(C#N)cn4)cc3C)CCO2)n[nH]1 ZINC000462092274 1075539813 /nfs/dbraw/zinc/53/98/13/1075539813.db2.gz LGVBQFDGJDTUQX-CQSZACIVSA-N 0 1 407.438 1.733 20 30 HDEDMN CCOC(=O)c1cnn(CCC#N)c1NS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000509253909 1075709065 /nfs/dbraw/zinc/70/90/65/1075709065.db2.gz JRZHVUUFQPIENW-UHFFFAOYSA-N 0 1 423.407 1.691 20 30 HDEDMN Cc1nc(-c2ccc(C)cc2NC(=O)CN(C)CCCc2[nH]nc(N)c2C#N)n[nH]1 ZINC000535544949 1075731970 /nfs/dbraw/zinc/73/19/70/1075731970.db2.gz CBRXURKPAIEXTI-UHFFFAOYSA-N 0 1 407.482 1.769 20 30 HDEDMN N#CC(C(=O)c1ccnc(O[C@H]2CCOC2)c1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000542653101 1075745165 /nfs/dbraw/zinc/74/51/65/1075745165.db2.gz ARKCZRPTWWGEBZ-HOTGVXAUSA-N 0 1 417.429 1.672 20 30 HDEDMN N#C[C@@H](C(=O)c1ccnc(O[C@H]2CCOC2)c1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000542653101 1075745168 /nfs/dbraw/zinc/74/51/68/1075745168.db2.gz ARKCZRPTWWGEBZ-HOTGVXAUSA-N 0 1 417.429 1.672 20 30 HDEDMN C[C@H](CN1CCN(C)CC1)NC(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000429477340 1075746156 /nfs/dbraw/zinc/74/61/56/1075746156.db2.gz PVUDNEUPSXZCNE-CVEARBPZSA-N 0 1 403.552 1.771 20 30 HDEDMN CCOC(=O)c1cnn(CCC#N)c1NS(=O)(=O)c1ccc(C(=O)NC)cc1 ZINC000509261324 1075750067 /nfs/dbraw/zinc/75/00/67/1075750067.db2.gz BDCGRXRNFYGYDC-UHFFFAOYSA-N 0 1 405.436 1.134 20 30 HDEDMN CCN1CCN(c2ccc(CNC(=O)N3CCN(C4CC4)[C@@H](C#N)C3)cc2F)CC1 ZINC000732704483 1075837219 /nfs/dbraw/zinc/83/72/19/1075837219.db2.gz WKOWXHNFPYNJDI-IBGZPJMESA-N 0 1 414.529 1.849 20 30 HDEDMN N#C[C@@H](C(=O)C=Cc1ccc(Br)o1)C(=O)N1CCS(=O)(=O)CC1 ZINC000732911219 1075909119 /nfs/dbraw/zinc/90/91/19/1075909119.db2.gz YBUGPAFYJFYVNQ-DGWOPVBCSA-N 0 1 401.238 1.021 20 30 HDEDMN C[C@H](NCC(=O)N1CCN(c2ncnc3c2cnn3C)CC1)c1cccc(C#N)c1 ZINC000611388174 1075923424 /nfs/dbraw/zinc/92/34/24/1075923424.db2.gz XUYLBEKMAYYCAJ-HNNXBMFYSA-N 0 1 404.478 1.234 20 30 HDEDMN C#CCCCC(=O)NCCCCCN1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC001079160715 1075965953 /nfs/dbraw/zinc/96/59/53/1075965953.db2.gz GTWNUHAOMWOBQW-JRHPMUGDSA-N 0 1 401.551 1.644 20 30 HDEDMN N#CC(C(=O)COC[C@H]1CCCO1)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000733679949 1076163086 /nfs/dbraw/zinc/16/30/86/1076163086.db2.gz QHAHJIGECUBBIL-VXGBXAGGSA-N 0 1 405.363 1.209 20 30 HDEDMN C=CCn1c(=O)c2ccc(C(=O)N3CC[NH+](CC(C)(C)O)CC3)cc2[n-]c1=S ZINC000730082846 1076430838 /nfs/dbraw/zinc/43/08/38/1076430838.db2.gz JIUMSPYEKRIXOR-UHFFFAOYSA-N 0 1 402.520 1.400 20 30 HDEDMN COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)OCC(=O)NCC#N)cc1 ZINC000731235250 1076762448 /nfs/dbraw/zinc/76/24/48/1076762448.db2.gz ZASDIXBSEZLKGA-UHFFFAOYSA-N 0 1 403.416 1.293 20 30 HDEDMN CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4nc5c(cc4C#N)COCC5)C3)O2)CC1 ZINC001164897805 721443467 /nfs/dbraw/zinc/44/34/67/721443467.db2.gz URWBEVULQOZNJL-OFNKIYASSA-N 0 1 411.550 1.791 20 30 HDEDMN CC(C)n1cc(C#N)c(NC(=O)C(=O)NCC2(CN3CCOCC3)CCCCC2)n1 ZINC000553100011 1074703612 /nfs/dbraw/zinc/70/36/12/1074703612.db2.gz LXZLWSSHVJFXGA-UHFFFAOYSA-N 0 1 416.526 1.673 20 30 HDEDMN C=CCNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2SCC(N)=O)c1 ZINC000509238581 1074709310 /nfs/dbraw/zinc/70/93/10/1074709310.db2.gz WWYSFUGPJOTKBE-UHFFFAOYSA-N 0 1 405.501 1.981 20 30 HDEDMN CN1CCN(S(=O)(=O)c2ccc(NN=C3CCOc4ccc(F)cc43)nc2)CC1 ZINC000731557453 1075382034 /nfs/dbraw/zinc/38/20/34/1075382034.db2.gz MWKWWYVXKKKQQH-UHFFFAOYSA-N 0 1 419.482 1.756 20 30 HDEDMN CCc1nc([C@@H](C)NC(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)n[nH]1 ZINC000541142524 1075538755 /nfs/dbraw/zinc/53/87/55/1075538755.db2.gz UZLXKTFCAXFMHH-SNVBAGLBSA-N 0 1 412.841 1.894 20 30 HDEDMN COc1cccc([C@@H](CNC(=O)NCCNC(=O)C2N=CC=CC2=O)N(C)C)c1 ZINC000732439023 1075744373 /nfs/dbraw/zinc/74/43/73/1075744373.db2.gz DCZLQEKABLNUKU-VRTBNJGNSA-N 0 1 401.467 1.124 20 30 HDEDMN N#C[C@H](C(=O)c1cccc(C(=O)NC2CC2)c1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000439653426 1075745727 /nfs/dbraw/zinc/74/57/27/1075745727.db2.gz VGMZXENLROASCK-QGZVFWFLSA-N 0 1 413.441 2.002 20 30 HDEDMN N#CC(C(=O)c1cccc(C(=O)NC2CC2)c1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000439653426 1075745729 /nfs/dbraw/zinc/74/57/29/1075745729.db2.gz VGMZXENLROASCK-QGZVFWFLSA-N 0 1 413.441 2.002 20 30 HDEDMN N#CC(C(=O)c1ccc2c(c1)SCC(=O)N2)c1nc(N)nc(Nc2ccccc2)n1 ZINC000572294559 1075745750 /nfs/dbraw/zinc/74/57/50/1075745750.db2.gz SUFBMGSBFRFOMR-CYBMUJFWSA-N 0 1 417.454 2.154 20 30 HDEDMN CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)n1 ZINC000527125419 1075782395 /nfs/dbraw/zinc/78/23/95/1075782395.db2.gz QYPVQKCIIKRIQE-CYBMUJFWSA-N 0 1 410.482 1.850 20 30 HDEDMN N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)CN1CCc3n[nH]nc3C1)CCCC2 ZINC000429293002 1075831769 /nfs/dbraw/zinc/83/17/69/1075831769.db2.gz IXCRWMRDLNDTAM-AWEZNQCLSA-N 0 1 409.494 1.532 20 30 HDEDMN CCc1cc(CNC(=O)[C@H](CC(C)C)N=C2NS(=O)(=O)c3ccccc32)n[nH]1 ZINC000732789041 1075857774 /nfs/dbraw/zinc/85/77/74/1075857774.db2.gz SXHVVPLLOMUAAY-INIZCTEOSA-N 0 1 403.508 1.742 20 30 HDEDMN CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC(C(N)=O)(c3ccccc3)CC2)CC1 ZINC000611371801 1075915955 /nfs/dbraw/zinc/91/59/55/1075915955.db2.gz ATBDIFUBIVADMS-FQEVSTJZSA-N 0 1 411.550 1.198 20 30 HDEDMN Cc1cc(NC(=O)CN[C@H](C)c2cccc(C#N)c2)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000611387235 1075923505 /nfs/dbraw/zinc/92/35/05/1075923505.db2.gz IIJIHUYICMDKTK-RHSMWYFYSA-N 0 1 401.492 1.712 20 30 HDEDMN CC[C@H](C#N)Oc1cc(CNC(=O)N[C@@H](C)CN2CCN(C)CC2)ccc1OC ZINC000733647633 1076140760 /nfs/dbraw/zinc/14/07/60/1076140760.db2.gz LLQNICHCDONQHP-FUHWJXTLSA-N 0 1 403.527 1.811 20 30 HDEDMN C#Cc1cccc(NC(=O)CNC(=O)N[C@H](CN2CCN(C)CC2)c2ccccc2)c1 ZINC000727940257 1076291544 /nfs/dbraw/zinc/29/15/44/1076291544.db2.gz FTODVAYFTRMXNK-JOCHJYFZSA-N 0 1 419.529 1.894 20 30 HDEDMN C=CCN(CC=C)C(=O)COC(=O)c1cc(NC(C)=O)ccc1NS(C)(=O)=O ZINC000728106295 1076336205 /nfs/dbraw/zinc/33/62/05/1076336205.db2.gz UUHJTPAQVIMGBD-UHFFFAOYSA-N 0 1 409.464 1.374 20 30 HDEDMN C#CCOc1ccc(NC(=O)C(=O)NCCN2CCN(Cc3ccccc3)CC2)cc1 ZINC000731125333 1076733657 /nfs/dbraw/zinc/73/36/57/1076733657.db2.gz FTCXYQCQIFUUBQ-UHFFFAOYSA-N 0 1 420.513 1.571 20 30 HDEDMN CCOC(=O)c1cc(C)nc(N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)c1C#N ZINC001164740600 720664085 /nfs/dbraw/zinc/66/40/85/720664085.db2.gz RBZWUDDIZFETNP-HOTGVXAUSA-N 0 1 408.462 1.570 20 30 HDEDMN CN(C)C(=O)CN1CCOCC2(CCN(c3ncnc4ccc(C#N)cc43)CC2)C1 ZINC001164868573 721265196 /nfs/dbraw/zinc/26/51/96/721265196.db2.gz CQHWVBWLXSAOCX-UHFFFAOYSA-N 0 1 408.506 1.508 20 30 HDEDMN CNS(=O)(=O)c1cc(NC(=O)C2CCN(c3oc(C)nc3C#N)CC2)ccc1O ZINC000509069197 1073459263 /nfs/dbraw/zinc/45/92/63/1073459263.db2.gz OWCBREFLFXIZRZ-UHFFFAOYSA-N 0 1 419.463 1.324 20 30 HDEDMN CCOC(=O)c1cnn(CCC#N)c1NS(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000509250213 1075171777 /nfs/dbraw/zinc/17/17/77/1075171777.db2.gz UEBIQYXISOMPNO-UHFFFAOYSA-N 0 1 417.447 1.060 20 30 HDEDMN COC(=O)c1c(C)c(C)sc1NC(=O)CN(C)CCCc1[nH]nc(N)c1C#N ZINC000534099605 1075618832 /nfs/dbraw/zinc/61/88/32/1075618832.db2.gz RPTNBWCAEGZKKE-UHFFFAOYSA-N 0 1 404.496 1.832 20 30 HDEDMN CCOC(=O)c1sc(NC(=O)CN(C)CCCc2[nH]nc(N)c2C#N)cc1C ZINC000536341884 1075647719 /nfs/dbraw/zinc/64/77/19/1075647719.db2.gz CUQNUPMCMGPCLD-UHFFFAOYSA-N 0 1 404.496 1.913 20 30 HDEDMN CCN1CCN(c2ccccc2NC(=O)NCCNC(=O)C2N=CC=CC2=O)CC1 ZINC000732234017 1075685181 /nfs/dbraw/zinc/68/51/81/1075685181.db2.gz PUUFATBQOBTCOK-VXPUYCOJSA-N 0 1 412.494 1.476 20 30 HDEDMN COc1ccc(-c2n[nH]c(CNC(=O)N(C)CCCc3[nH]nc(N)c3C#N)n2)cc1 ZINC000567504736 1075708277 /nfs/dbraw/zinc/70/82/77/1075708277.db2.gz GLBKPINJDPRFOY-UHFFFAOYSA-N 0 1 409.454 1.431 20 30 HDEDMN COc1ccc(-c2nc(CNC(=O)N(C)CCCc3[nH]nc(N)c3C#N)n[nH]2)cc1 ZINC000567504736 1075708283 /nfs/dbraw/zinc/70/82/83/1075708283.db2.gz GLBKPINJDPRFOY-UHFFFAOYSA-N 0 1 409.454 1.431 20 30 HDEDMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N(C)CCCc1[nH]nc(N)c1C#N ZINC000581683356 1075741747 /nfs/dbraw/zinc/74/17/47/1075741747.db2.gz ORTJTFLMUCONGH-UHFFFAOYSA-N 0 1 410.526 2.020 20 30 HDEDMN N#CC(C(=O)c1cncc(N2CCOCC2)c1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000534584773 1075745689 /nfs/dbraw/zinc/74/56/89/1075745689.db2.gz UTMWNBWMEZTNJH-QGZVFWFLSA-N 0 1 416.445 1.341 20 30 HDEDMN N#C[C@H](C(=O)c1cncc(N2CCOCC2)c1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000534584773 1075745693 /nfs/dbraw/zinc/74/56/93/1075745693.db2.gz UTMWNBWMEZTNJH-QGZVFWFLSA-N 0 1 416.445 1.341 20 30 HDEDMN N#Cc1ccc(CN2CCCN(C(=O)NCCNC(=O)C3N=CC=CC3=O)CC2)cc1 ZINC000732467005 1075754364 /nfs/dbraw/zinc/75/43/64/1075754364.db2.gz RZESTKQWQUFGKZ-QZQOTICOSA-N 0 1 422.489 1.302 20 30 HDEDMN N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3CC[C@@H](N4CC=CC4)C3)n2)c(Cl)c1 ZINC000541139714 1075794549 /nfs/dbraw/zinc/79/45/49/1075794549.db2.gz DJNBYJUZUIWZIL-OAHLLOKOSA-N 0 1 410.865 1.809 20 30 HDEDMN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 ZINC000543930407 1075808445 /nfs/dbraw/zinc/80/84/45/1075808445.db2.gz LBOKQUQVZQMTDS-BLLLJJGKSA-N 0 1 412.881 1.935 20 30 HDEDMN CCOC(=O)c1sc(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)nc1C ZINC000611024935 1075812728 /nfs/dbraw/zinc/81/27/28/1075812728.db2.gz DLVJWLUVGAOSSA-UHFFFAOYSA-N 0 1 410.433 1.887 20 30 HDEDMN CC(C)CN1CCO[C@@H](CNC(=O)CNc2ccn(-c3ccc(C#N)cc3F)n2)C1 ZINC000543864271 1075824667 /nfs/dbraw/zinc/82/46/67/1075824667.db2.gz IHDRPXXSTHXCNI-KRWDZBQOSA-N 0 1 414.485 1.768 20 30 HDEDMN N#C[C@H]1CN(C(=O)C(=O)Nc2ccccc2CN2CCSCC2)CCN1C1CC1 ZINC000732707264 1075840291 /nfs/dbraw/zinc/84/02/91/1075840291.db2.gz YNQUXWQNGUIBKO-SFHVURJKSA-N 0 1 413.547 1.373 20 30 HDEDMN N#C[C@H](C(=O)C=Cc1ccccc1OC(F)(F)F)C(=O)N1CCS(=O)(=O)CC1 ZINC000732910102 1075908216 /nfs/dbraw/zinc/90/82/16/1075908216.db2.gz MFVJAARGPHIUJA-CFHLNLSMSA-N 0 1 416.377 1.564 20 30 HDEDMN N#CCOc1ccccc1C(=O)[N-]S(=O)(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000733856879 1076233415 /nfs/dbraw/zinc/23/34/15/1076233415.db2.gz HRORQJSUZJEXPW-UHFFFAOYSA-N 0 1 414.487 1.381 20 30 HDEDMN COC(=O)N(C)CCCC(=O)C(C#N)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000729888337 1076379839 /nfs/dbraw/zinc/37/98/39/1076379839.db2.gz KEHBPKJAMVQSGV-LLVKDONJSA-N 0 1 420.378 1.492 20 30 HDEDMN C=CCn1c(=O)c2ccc(C(=O)N[C@H]3CCC[N@H+](CCOC)C3)cc2[n-]c1=S ZINC000729981041 1076405959 /nfs/dbraw/zinc/40/59/59/1076405959.db2.gz URHOZDYSIINSSN-HNNXBMFYSA-N 0 1 402.520 1.712 20 30 HDEDMN COC(=O)CSCCC(=O)C(C#N)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000730920317 1076693354 /nfs/dbraw/zinc/69/33/54/1076693354.db2.gz JXZJXWHUYHWKOY-JTQLQIEISA-N 0 1 423.403 1.310 20 30 HDEDMN C#CCOc1cccc(NS(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)c1 ZINC000730995180 1076706521 /nfs/dbraw/zinc/70/65/21/1076706521.db2.gz AVOPUDVWLBPGRI-UHFFFAOYSA-N 0 1 406.485 1.940 20 30 HDEDMN Cc1cc(S(=O)(=O)Nc2ccccc2C(=O)OCC(=O)NCC#N)ccc1F ZINC000731235030 1076762011 /nfs/dbraw/zinc/76/20/11/1076762011.db2.gz OMNICQZZZAWKSZ-UHFFFAOYSA-N 0 1 405.407 1.732 20 30 HDEDMN CN(C)[C@H](CNC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1)c1cccs1 ZINC000555682602 1073478901 /nfs/dbraw/zinc/47/89/01/1073478901.db2.gz PQLQFNAAJGWEMF-MRXNPFEDSA-N 0 1 412.519 1.082 20 30 HDEDMN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N ZINC000462949974 1075704543 /nfs/dbraw/zinc/70/45/43/1075704543.db2.gz DNPCJLQQYLTCKS-CRAIPNDOSA-N 0 1 408.506 2.085 20 30 HDEDMN N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)N2CC[C@H](N3CC=CC3)C2)n1 ZINC000543925683 1075787542 /nfs/dbraw/zinc/78/75/42/1075787542.db2.gz JPOXXWIYBSWYJK-INIZCTEOSA-N 0 1 410.865 1.809 20 30 HDEDMN C[C@H]1CC[N@@H+](CCNC(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C1 ZINC000541135535 1075800759 /nfs/dbraw/zinc/80/07/59/1075800759.db2.gz YOEVOKAMOLSPAB-ZDUSSCGKSA-N 0 1 400.870 1.794 20 30 HDEDMN C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000543606163 1075853894 /nfs/dbraw/zinc/85/38/94/1075853894.db2.gz GGWCMRNSTOAXGO-CXAGYDPISA-N 0 1 410.459 1.249 20 30 HDEDMN CCc1cc(CNC(=O)CCCCCN=C2NS(=O)(=O)c3ccccc32)n[nH]1 ZINC000732791550 1075858550 /nfs/dbraw/zinc/85/85/50/1075858550.db2.gz DBGMKCVQPQFHNV-UHFFFAOYSA-N 0 1 403.508 1.887 20 30 HDEDMN COC(=O)C[C@@H]1CCCCN1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 ZINC000611429353 1075929391 /nfs/dbraw/zinc/92/93/91/1075929391.db2.gz COXSTXGOPWFMQY-DLBZAZTESA-N 0 1 404.536 1.875 20 30 HDEDMN CC[C@H](C#N)Oc1cc(CNC(=O)N[C@H](C)CN2CCN(C)CC2)ccc1OC ZINC000733647635 1076140704 /nfs/dbraw/zinc/14/07/04/1076140704.db2.gz LLQNICHCDONQHP-SJLPKXTDSA-N 0 1 403.527 1.811 20 30 HDEDMN CSc1n[nH]c(NC(=O)CCCCCN=C2NS(=O)(=O)c3ccccc32)n1 ZINC000727487020 1076141768 /nfs/dbraw/zinc/14/17/68/1076141768.db2.gz XYPTUYZADPCINV-UHFFFAOYSA-N 0 1 408.509 1.764 20 30 HDEDMN C=CCn1c(=O)c2ccc(C(=O)NC[C@H](C)CN3CC[NH+](C)CC3)cc2[n-]c1=S ZINC000733975700 1076280049 /nfs/dbraw/zinc/28/00/49/1076280049.db2.gz JSBYNLZVGZQSMK-HNNXBMFYSA-N 0 1 415.563 1.485 20 30 HDEDMN N#C[C@@H](C(=O)CSc1nnnn1CC(F)(F)F)c1nnc2n1CCCCC2 ZINC000730071067 1076437206 /nfs/dbraw/zinc/43/72/06/1076437206.db2.gz DPXUCHOSEKJNPC-VIFPVBQESA-N 0 1 400.390 1.522 20 30 HDEDMN Cc1cc(F)ccc1S(=O)(=O)Nc1ccccc1C(=O)OCC(=O)NCC#N ZINC000731236324 1076763247 /nfs/dbraw/zinc/76/32/47/1076763247.db2.gz VKFBWAJOVQYMSL-UHFFFAOYSA-N 0 1 405.407 1.732 20 30 HDEDMN CSc1nc(Cl)c(C=NO)c(N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164736855 720658335 /nfs/dbraw/zinc/65/83/35/720658335.db2.gz BQIGPXHYTACRFN-RYUDHWBXSA-N 0 1 421.914 1.792 20 30 HDEDMN CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4ncc([N+](=O)[O-])cc4C#N)C3)O2)CC1 ZINC001164887750 721404969 /nfs/dbraw/zinc/40/49/69/721404969.db2.gz NFMWYVGCBZBZKV-AZUAARDMSA-N 0 1 400.483 1.627 20 30 HDEDMN CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4nc(C#N)c(C#N)nc4Cl)C3)O2)CC1 ZINC001164884708 721411764 /nfs/dbraw/zinc/41/17/64/721411764.db2.gz FKBHBJTXCFIAOW-QRWLVFNGSA-N 0 1 415.929 1.639 20 30 HDEDMN CN1CCN(C[C@H]2CCC[C@]3(CCN(c4nc(C#N)c(C#N)nc4Cl)C3)O2)CC1 ZINC001164884701 721411939 /nfs/dbraw/zinc/41/19/39/721411939.db2.gz FKBHBJTXCFIAOW-FOIQADDNSA-N 0 1 415.929 1.639 20 30 HDEDMN CCOC(=O)c1cc(C)nc(N2CCn3cc(CN4CCN(C)CC4)nc3C2)c1C#N ZINC001164794454 721511102 /nfs/dbraw/zinc/51/11/02/721511102.db2.gz PWOARGIPJMFYOJ-UHFFFAOYSA-N 0 1 423.521 1.403 20 30 HDEDMN N#C[C@]1(C(=O)N2CCC([C@@H]3OCC[C@H]3NC(=O)C(F)(F)F)CC2)CCCOC1 ZINC001128872022 1074604854 /nfs/dbraw/zinc/60/48/54/1074604854.db2.gz XJRCYYCQXVYFKP-JKIFEVAISA-N 0 1 403.401 1.381 20 30 HDEDMN COCC(C)(C)N(C)CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000429243295 1074725459 /nfs/dbraw/zinc/72/54/59/1074725459.db2.gz DKKYOINTHZPKKJ-UHFFFAOYSA-N 0 1 401.467 1.812 20 30 HDEDMN Cc1cc(NC(=O)C(=O)N[C@H](CN(C)C)c2ccc(Cl)cc2)nn1CCC#N ZINC000580576328 1074776455 /nfs/dbraw/zinc/77/64/55/1074776455.db2.gz OYIMSLWPBYGIFY-MRXNPFEDSA-N 0 1 402.886 2.116 20 30 HDEDMN CCN(C(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000446867180 1075185361 /nfs/dbraw/zinc/18/53/61/1075185361.db2.gz KWMXIMLWYIIUTE-LJQANCHMSA-N 0 1 422.533 2.571 20 30 HDEDMN O=C(NCCNC(=O)C1N=CC=CC1=O)c1n[nH]c2ccc(Br)cc21 ZINC000732153898 1075652248 /nfs/dbraw/zinc/65/22/48/1075652248.db2.gz LYRGXBMXIUSWBY-PEZBUJJGSA-N 0 1 404.224 1.582 20 30 HDEDMN Cc1cc(C(=O)C(C#N)c2nc(N)nc(Nc3ccccc3)n2)ccc1-n1cncn1 ZINC000442640361 1075735439 /nfs/dbraw/zinc/73/54/39/1075735439.db2.gz AOPVCKRLTBCSCS-INIZCTEOSA-N 0 1 411.429 1.999 20 30 HDEDMN O=C(NCCNC(=O)C1N=CC=CC1=O)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000732448401 1075740542 /nfs/dbraw/zinc/74/05/42/1075740542.db2.gz HDAWYTBYCCWMOK-FMQUCBEESA-N 0 1 415.469 1.616 20 30 HDEDMN C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H](C)CN1CCN(C)CC1 ZINC000429477343 1075746124 /nfs/dbraw/zinc/74/61/24/1075746124.db2.gz PVUDNEUPSXZCNE-JKSUJKDBSA-N 0 1 403.552 1.771 20 30 HDEDMN CC1(C)CN(C(=O)NCCNC(=O)C2N=CC=CC2=O)CCN1Cc1ccccc1 ZINC000732466663 1075754642 /nfs/dbraw/zinc/75/46/42/1075754642.db2.gz QOIMMWIULPNCDT-FMQUCBEESA-N 0 1 411.506 1.819 20 30 HDEDMN Cc1cccc(N2CCN(CCCNC(=O)N3CCN(C4CC4)[C@H](C#N)C3)CC2)c1 ZINC000732673651 1075828861 /nfs/dbraw/zinc/82/88/61/1075828861.db2.gz CRDKOCBPVWDLRX-JOCHJYFZSA-N 0 1 410.566 1.889 20 30 HDEDMN CCc1cc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n[nH]1 ZINC000732791910 1075858998 /nfs/dbraw/zinc/85/89/98/1075858998.db2.gz WDOILRBCLBCQAW-UHFFFAOYSA-N 0 1 401.492 1.561 20 30 HDEDMN COCCN1CC[C@@H](NC(=O)C(=O)Nc2c(C)c(C)nn2-c2ccc(C#N)cc2)C1 ZINC000611189106 1075872148 /nfs/dbraw/zinc/87/21/48/1075872148.db2.gz WCZRXVBCOOXZMZ-QGZVFWFLSA-N 0 1 410.478 1.136 20 30 HDEDMN COC1CCN(CCNC(=O)C(=O)Nc2c(C)c(C)nn2-c2ccc(C#N)cc2)CC1 ZINC000611189566 1075872722 /nfs/dbraw/zinc/87/27/22/1075872722.db2.gz LTODGAPNYABCCG-UHFFFAOYSA-N 0 1 424.505 1.526 20 30 HDEDMN COc1ccc(CCCCCC(=O)C(C#N)C(=O)N2CCS(=O)(=O)CC2)cc1 ZINC000732908744 1075903963 /nfs/dbraw/zinc/90/39/63/1075903963.db2.gz QKUTZXNBLQPJMJ-GOSISDBHSA-N 0 1 406.504 1.764 20 30 HDEDMN N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN[C@]2(CO)CCc3ccccc32)CC1 ZINC000611431042 1075930733 /nfs/dbraw/zinc/93/07/33/1075930733.db2.gz IOKKNKRLYDLMHJ-UPVQGACJSA-N 0 1 422.504 1.958 20 30 HDEDMN N#C[C@@H](c1cccs1)N1CCN(C(=O)CN[C@@]2(CO)CCc3ccccc32)CC1 ZINC000611430968 1075930775 /nfs/dbraw/zinc/93/07/75/1075930775.db2.gz HVHOFTBACWAUNR-SIKLNZKXSA-N 0 1 410.543 1.881 20 30 HDEDMN C#CCN1CCN(C(=O)c2ccc(S(=O)(=O)Nc3ccccc3OC)cc2)CC1 ZINC000733160945 1075993589 /nfs/dbraw/zinc/99/35/89/1075993589.db2.gz HYYGKPHRUCRNJH-UHFFFAOYSA-N 0 1 413.499 1.887 20 30 HDEDMN Cc1nn(CCC#N)c(C)c1CCC(=O)OCC1=Nc2ccccc2S(=O)(=O)N1 ZINC000727186276 1076076046 /nfs/dbraw/zinc/07/60/46/1076076046.db2.gz FRLRWQGZATYDSQ-UHFFFAOYSA-N 0 1 415.475 1.912 20 30 HDEDMN CN1CCN(C[C@@H](NC(=O)NCCNc2ccc(C#N)cn2)c2ccccc2)CC1 ZINC000727841696 1076266677 /nfs/dbraw/zinc/26/66/77/1076266677.db2.gz BTYWPDLDCDUCRC-HXUWFJFHSA-N 0 1 407.522 1.653 20 30 HDEDMN COC(=O)CSCCC(=O)C(C#N)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000730920318 1076693243 /nfs/dbraw/zinc/69/32/43/1076693243.db2.gz JXZJXWHUYHWKOY-SNVBAGLBSA-N 0 1 423.403 1.310 20 30 HDEDMN COc1ccccc1NS(=O)(=O)c1cccc(C(=O)OCC(=O)NCC#N)c1 ZINC000731235568 1076762623 /nfs/dbraw/zinc/76/26/23/1076762623.db2.gz GJADADIRPBPZTD-UHFFFAOYSA-N 0 1 403.416 1.293 20 30 HDEDMN N#CCNC(=O)COC(=O)c1cc(Cl)ccc1NS(=O)(=O)c1ccccc1 ZINC000731243491 1076773476 /nfs/dbraw/zinc/77/34/76/1076773476.db2.gz RAHVGHOWOGKCOK-UHFFFAOYSA-N 0 1 407.835 1.937 20 30 HDEDMN CSc1nc(Cl)c(C#N)c(N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164740773 720602339 /nfs/dbraw/zinc/60/23/39/720602339.db2.gz IWZTWBTXHICCQK-VXGBXAGGSA-N 0 1 403.899 1.855 20 30 HDEDMN CSc1nc(Cl)c(C=NO)c(N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164736853 720656749 /nfs/dbraw/zinc/65/67/49/720656749.db2.gz BQIGPXHYTACRFN-NEPJUHHUSA-N 0 1 421.914 1.792 20 30 HDEDMN CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nc(C#N)ccc4[N+](=O)[O-])C3)O2)CC1 ZINC001164883760 721409620 /nfs/dbraw/zinc/40/96/20/721409620.db2.gz CADCUEHRGYXSOC-PXNSSMCTSA-N 0 1 400.483 1.627 20 30 HDEDMN COC1CCN(CCNC(=O)C(=O)Nc2cccc(C#Cc3ccccn3)c2)CC1 ZINC000674319944 1074280924 /nfs/dbraw/zinc/28/09/24/1074280924.db2.gz AHDVAWRHXVKHFW-UHFFFAOYSA-N 0 1 406.486 1.647 20 30 HDEDMN C[C@@H]1CC(O)C[C@@H](C)N1CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000429313951 1074693918 /nfs/dbraw/zinc/69/39/18/1074693918.db2.gz DXCIEBOXUDRPGZ-HUUCEWRRSA-N 0 1 413.478 1.689 20 30 HDEDMN N#C[C@]1(C(=O)NCC2(N3CCN(c4ccccc4)CC3)CCOCC2)CCCOC1 ZINC001129050672 1075267087 /nfs/dbraw/zinc/26/70/87/1075267087.db2.gz RQRFKEYRKBOJRH-JOCHJYFZSA-N 0 1 412.534 1.794 20 30 HDEDMN Cc1ccc2nc(CNC(=O)C(=O)Nc3ncn(Cc4ccc(C#N)cc4)n3)[nH]c2c1 ZINC000491068606 1075338802 /nfs/dbraw/zinc/33/88/02/1075338802.db2.gz NGAHDICOHPRKGG-UHFFFAOYSA-N 0 1 414.429 1.638 20 30 HDEDMN CC[C@@H](CNC(=O)C(=O)Nc1cc(C)n(CCC#N)n1)N1CCc2ccccc2C1 ZINC000504641798 1075455661 /nfs/dbraw/zinc/45/56/61/1075455661.db2.gz ISBLWXIWDBXCAI-IBGZPJMESA-N 0 1 408.506 1.997 20 30 HDEDMN CN(CCCc1[nH]nc(N)c1C#N)C(=O)NCc1n[nH]c(COc2ccccc2)n1 ZINC000547780575 1075652726 /nfs/dbraw/zinc/65/27/26/1075652726.db2.gz FCKKRVNDSKSIDN-UHFFFAOYSA-N 0 1 409.454 1.335 20 30 HDEDMN CN(CCCc1[nH]nc(N)c1C#N)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000535546968 1075660596 /nfs/dbraw/zinc/66/05/96/1075660596.db2.gz CGXOPYBGXHQDJU-UHFFFAOYSA-N 0 1 403.450 1.424 20 30 HDEDMN CCCC[C@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)NCc1cc(CC)[nH]n1 ZINC000732793547 1075858961 /nfs/dbraw/zinc/85/89/61/1075858961.db2.gz DCQGSBWFFFYDMO-INIZCTEOSA-N 0 1 403.508 1.886 20 30 HDEDMN Cc1ccc(C)c(OCCCCC(=O)C(C#N)C(=O)N2CCS(=O)(=O)CC2)c1 ZINC000732907556 1075903220 /nfs/dbraw/zinc/90/32/20/1075903220.db2.gz AVDJZQQVTNHETP-KRWDZBQOSA-N 0 1 406.504 1.818 20 30 HDEDMN Cc1[nH]ncc1CCCNC(=O)CCNC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1 ZINC000611503963 1075949877 /nfs/dbraw/zinc/94/98/77/1075949877.db2.gz KBPMAGSRFNTRCJ-FQEVSTJZSA-N 0 1 408.506 1.814 20 30 HDEDMN C=CCn1c(=O)n(CC=C)c(=O)n(CNC2(c3ccc(F)cc3)CCCC2)c1=O ZINC000727166397 1076067351 /nfs/dbraw/zinc/06/73/51/1076067351.db2.gz LUSKHRUXFQDPFZ-UHFFFAOYSA-N 0 1 400.454 1.699 20 30 HDEDMN C#CCCNC(=O)C(=O)Nc1ccccc1N1CCN(CCc2ccncc2)CC1 ZINC000733673003 1076155238 /nfs/dbraw/zinc/15/52/38/1076155238.db2.gz KHNFMOQCJGXGPA-UHFFFAOYSA-N 0 1 405.502 1.524 20 30 HDEDMN N#CC(C(=O)COC[C@H]1CCCO1)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000733679946 1076163112 /nfs/dbraw/zinc/16/31/12/1076163112.db2.gz QHAHJIGECUBBIL-NEPJUHHUSA-N 0 1 405.363 1.209 20 30 HDEDMN C#Cc1cccc(NC(=O)CN(C)C(=O)[C@@H](C)NC(=O)c2n[nH]c3ccccc32)c1 ZINC000727754464 1076227361 /nfs/dbraw/zinc/22/73/61/1076227361.db2.gz FAWBBTVLGYAATD-CQSZACIVSA-N 0 1 403.442 1.760 20 30 HDEDMN CCN(C[C@H](C)C#N)C(=O)COC(=O)c1cc(NC(C)=O)ccc1NS(C)(=O)=O ZINC000728106211 1076336268 /nfs/dbraw/zinc/33/62/68/1076336268.db2.gz YEQJAJSTVFRZEX-GFCCVEGCSA-N 0 1 424.479 1.181 20 30 HDEDMN COc1cc(C=Nn2c(C(F)(F)F)n[nH]c2=S)cc(OC)c1OCC(N)=O ZINC000730545793 1076597961 /nfs/dbraw/zinc/59/79/61/1076597961.db2.gz GWZDHSRBWMJHCZ-UHFFFAOYSA-N 0 1 405.358 1.349 20 30 HDEDMN CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H]1CCN(CCOC)C1 ZINC000730788507 1076658523 /nfs/dbraw/zinc/65/85/23/1076658523.db2.gz UZLKRXWZPVOVNR-RDJZCZTQSA-N 0 1 422.551 1.121 20 30 HDEDMN COC(=O)NCCCC(=O)C(C#N)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000730920050 1076693297 /nfs/dbraw/zinc/69/32/97/1076693297.db2.gz JHKMKCJWEXWKLB-SNVBAGLBSA-N 0 1 406.351 1.150 20 30 HDEDMN C#CCOc1cccc(NC(=O)C(=O)NCc2ccnc(N3CCN(C)CC3)c2)c1 ZINC000731123080 1076726745 /nfs/dbraw/zinc/72/67/45/1076726745.db2.gz CXXRPJAGEKEPGT-UHFFFAOYSA-N 0 1 407.474 1.100 20 30 HDEDMN C=CCNC(=O)c1cccnc1N1CCC2(CC1)COCCN(CC(=O)N(C)C)C2 ZINC001164872442 721285729 /nfs/dbraw/zinc/28/57/29/721285729.db2.gz CTCJYNLXPRLWIV-UHFFFAOYSA-N 0 1 415.538 1.004 20 30 HDEDMN C=CCNC(=O)c1cccnc1N1CC[C@@]2(C1)CCC[C@@H](CN1CCN(C)CC1)O2 ZINC001164890714 721434145 /nfs/dbraw/zinc/43/41/45/721434145.db2.gz DKOLSECHLOVVSX-WMZHIEFXSA-N 0 1 413.566 1.763 20 30 HDEDMN Cc1cccc2nc(CNC(=O)C(=O)Nc3ncn(Cc4ccc(C#N)cc4)n3)[nH]c21 ZINC000498451714 1075352485 /nfs/dbraw/zinc/35/24/85/1075352485.db2.gz VDVUTRXXWKIAOP-UHFFFAOYSA-N 0 1 414.429 1.638 20 30 HDEDMN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N(C)Cc1cc(C(C)(C)C)[nH]n1 ZINC000567556772 1075377457 /nfs/dbraw/zinc/37/74/57/1075377457.db2.gz ZRVCLSLMUXHFAR-UHFFFAOYSA-N 0 1 420.477 2.065 20 30 HDEDMN COc1ccc(NC(=S)NN=C2CCN(CCN3CCOCC3)CC2)cc1OC ZINC000731557836 1075381992 /nfs/dbraw/zinc/38/19/92/1075381992.db2.gz YRJCWIFCIISLEQ-UHFFFAOYSA-N 0 1 421.567 1.774 20 30 HDEDMN CC[C@H](CNC(=O)C(=O)Nc1cc(C)n(CCC#N)n1)N1CCc2ccccc2C1 ZINC000504641799 1075497313 /nfs/dbraw/zinc/49/73/13/1075497313.db2.gz ISBLWXIWDBXCAI-LJQANCHMSA-N 0 1 408.506 1.997 20 30 HDEDMN Cc1[nH]ncc1C1CCN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC1 ZINC000551735101 1075507729 /nfs/dbraw/zinc/50/77/29/1075507729.db2.gz SMBGFSDUNLVZDR-UHFFFAOYSA-N 0 1 421.436 2.259 20 30 HDEDMN C=CCOC[C@H]1NC(=O)N(CCCN2CCN(c3ccc(OC)cc3)CC2)C1=O ZINC000804143805 1075541881 /nfs/dbraw/zinc/54/18/81/1075541881.db2.gz OLBGCGYJWBPRRK-LJQANCHMSA-N 0 1 402.495 1.330 20 30 HDEDMN COc1ccc(OC)c([C@@H](C)NC(=O)CN(C)CCCc2[nH]nc(N)c2C#N)c1 ZINC000536344000 1075625750 /nfs/dbraw/zinc/62/57/50/1075625750.db2.gz PEJNJZPVXWAZQI-CYBMUJFWSA-N 0 1 400.483 1.623 20 30 HDEDMN CCCCOc1ccc(C=NOCC(=O)N2CCO[C@H](c3nn[nH]n3)C2)cc1OC ZINC000732091207 1075627485 /nfs/dbraw/zinc/62/74/85/1075627485.db2.gz VKAXFMWGGHCDIL-KRWDZBQOSA-N 0 1 418.454 1.338 20 30 HDEDMN C[C@H](CN1CCN(C)CC1)NC(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000429473773 1075728284 /nfs/dbraw/zinc/72/82/84/1075728284.db2.gz WAKYPOFQLMSPKD-JKSUJKDBSA-N 0 1 403.552 1.629 20 30 HDEDMN Cc1cc(NC(=O)CN[C@H](C)c2cccc(C#N)c2)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000611387234 1075923409 /nfs/dbraw/zinc/92/34/09/1075923409.db2.gz IIJIHUYICMDKTK-PBHICJAKSA-N 0 1 401.492 1.712 20 30 HDEDMN Cc1nc(NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])n(-c2ccc(C#N)cc2)n1 ZINC000611466405 1075942021 /nfs/dbraw/zinc/94/20/21/1075942021.db2.gz QMYIWOXEIRJWOL-UHFFFAOYSA-N 0 1 412.431 1.762 20 30 HDEDMN C#CCOc1ccc(CN[C@@H](C)C(=O)Nc2cccc(S(=O)(=O)NC)c2)cc1 ZINC000733328123 1076044928 /nfs/dbraw/zinc/04/49/28/1076044928.db2.gz IALATMPXTOGYDL-HNNXBMFYSA-N 0 1 401.488 1.724 20 30 HDEDMN CC[C@@H](C#N)Oc1cc(CNC(=O)N[C@H](C)CN2CCN(C)CC2)ccc1OC ZINC000733647630 1076140750 /nfs/dbraw/zinc/14/07/50/1076140750.db2.gz LLQNICHCDONQHP-AEFFLSMTSA-N 0 1 403.527 1.811 20 30 HDEDMN N#CC(C(=O)COC[C@@H]1CCCO1)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000733679948 1076163144 /nfs/dbraw/zinc/16/31/44/1076163144.db2.gz QHAHJIGECUBBIL-RYUDHWBXSA-N 0 1 405.363 1.209 20 30 HDEDMN O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CCO[C@H](CNCC#Cc2ccc(Cl)cc2)C1 ZINC001273292007 1076249310 /nfs/dbraw/zinc/24/93/10/1076249310.db2.gz KXIKUTPXYOEENX-YQPXSLGVSA-N 0 1 400.906 1.932 20 30 HDEDMN N#CC(C(=O)CCN1CCCC1=O)c1nnc(N2CCOCC2)n1-c1ccccc1 ZINC000727954414 1076296567 /nfs/dbraw/zinc/29/65/67/1076296567.db2.gz BKELHMUGGICXON-KRWDZBQOSA-N 0 1 408.462 1.293 20 30 HDEDMN COC(=O)NCCCC(=O)C(C#N)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000730920047 1076693252 /nfs/dbraw/zinc/69/32/52/1076693252.db2.gz JHKMKCJWEXWKLB-JTQLQIEISA-N 0 1 406.351 1.150 20 30 HDEDMN C#CCOc1cccc(NC(=O)C(=O)NCCCN2CCN(c3ccccc3)CC2)c1 ZINC000731124863 1076727500 /nfs/dbraw/zinc/72/75/00/1076727500.db2.gz PDZWJMLVEWYEFP-UHFFFAOYSA-N 0 1 420.513 1.966 20 30 HDEDMN COC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1C[C@H]2CN(CC3CC3)C[C@@H](C1)O2 ZINC001164966896 722075781 /nfs/dbraw/zinc/07/57/81/722075781.db2.gz GYJODWHGEXIKTN-BBWFWOEESA-N 0 1 407.474 1.709 20 30 HDEDMN COC(=O)c1cc(C#N)cnc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164972196 722152561 /nfs/dbraw/zinc/15/25/61/722152561.db2.gz GOTOFUQQIRIQII-ICSRJNTNSA-N 0 1 407.474 1.862 20 30 HDEDMN CNS(=O)(=O)c1cc(NC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)ccc1O ZINC000509071678 1073456765 /nfs/dbraw/zinc/45/67/65/1073456765.db2.gz XZZCPRHFJMNRHA-ZDUSSCGKSA-N 0 1 418.450 1.776 20 30 HDEDMN Cc1cc(NC(=O)C(=O)NCC(C)(C)N2CCc3ccccc3C2)nn1CCC#N ZINC000504111540 1074738886 /nfs/dbraw/zinc/73/88/86/1074738886.db2.gz PXJZBFISNMSELW-UHFFFAOYSA-N 0 1 408.506 1.997 20 30 HDEDMN COc1cc(C(=O)Nc2cc(C)n(CCC#N)n2)cc(NS(C)(=O)=O)c1OC ZINC000504133419 1075290111 /nfs/dbraw/zinc/29/01/11/1075290111.db2.gz ZRIUFYBRFDAJHE-UHFFFAOYSA-N 0 1 407.452 1.746 20 30 HDEDMN N#CCc1ccccc1NS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000509386621 1075415975 /nfs/dbraw/zinc/41/59/75/1075415975.db2.gz LVDXPSQRJKAPAV-UHFFFAOYSA-N 0 1 421.500 1.574 20 30 HDEDMN CN(C(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000446857702 1075584201 /nfs/dbraw/zinc/58/42/01/1075584201.db2.gz WTBMZEZBQWHSMN-GOSISDBHSA-N 0 1 408.506 2.181 20 30 HDEDMN CN(C(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)[C@H]1CCN(C2CC2)C1 ZINC000439596973 1075585308 /nfs/dbraw/zinc/58/53/08/1075585308.db2.gz QDXGWQQHNYWUSX-INIZCTEOSA-N 0 1 412.881 2.031 20 30 HDEDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N(C)CCCc1[nH]nc(N)c1C#N ZINC000534834837 1075629607 /nfs/dbraw/zinc/62/96/07/1075629607.db2.gz YUKVEEFZNUPGPP-NSHDSACASA-N 0 1 401.427 1.672 20 30 HDEDMN CN(CCCc1[nH]nc(N)c1C#N)CC(=O)NCc1ccccc1Cn1cccn1 ZINC000535547118 1075660158 /nfs/dbraw/zinc/66/01/58/1075660158.db2.gz DIEYWAXQRNBVGD-UHFFFAOYSA-N 0 1 406.494 1.289 20 30 HDEDMN COc1cc(C)c([C@@H](C)NC(=O)CN(C)CCCc2[nH]nc(N)c2C#N)cc1OC ZINC000536342930 1075694075 /nfs/dbraw/zinc/69/40/75/1075694075.db2.gz TYTNZRVUPQDFEH-CQSZACIVSA-N 0 1 414.510 1.931 20 30 HDEDMN COc1cc2c(cc1OC)CN(C(=O)CN(C)CCCc1[nH]nc(N)c1C#N)CC2 ZINC000536340731 1075704003 /nfs/dbraw/zinc/70/40/03/1075704003.db2.gz HCGTWTZJNOSNMP-UHFFFAOYSA-N 0 1 412.494 1.330 20 30 HDEDMN Cn1cc(CN2C[C@@H](F)C[C@H]2CNS(=O)(=O)c2c(F)cc(C#N)cc2F)cn1 ZINC000509255586 1075717666 /nfs/dbraw/zinc/71/76/66/1075717666.db2.gz OJBBYIMVGFWURE-KBPBESRZSA-N 0 1 413.425 1.461 20 30 HDEDMN O=C(NCCNC(=O)C1N=CC=CC1=O)NC[C@H](c1ccco1)N1CCCCC1 ZINC000732439042 1075744487 /nfs/dbraw/zinc/74/44/87/1075744487.db2.gz DMQYXSBNGDVXQK-RAJOGRCSSA-N 0 1 401.467 1.632 20 30 HDEDMN N#Cc1ccc(CSc2nnc(NC(=O)NCCN3CCCOCC3)s2)cc1 ZINC000446217604 1075802817 /nfs/dbraw/zinc/80/28/17/1075802817.db2.gz PVHPRWJQGRPEII-UHFFFAOYSA-N 0 1 418.548 2.546 20 30 HDEDMN N#C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2CN2CCSCC2)CCN1C1CC1 ZINC000732707263 1075840297 /nfs/dbraw/zinc/84/02/97/1075840297.db2.gz YNQUXWQNGUIBKO-GOSISDBHSA-N 0 1 413.547 1.373 20 30 HDEDMN N#Cc1cccc(OCCCCC(=O)C(C#N)C(=O)N2CCS(=O)(=O)CC2)c1 ZINC000732909780 1075906888 /nfs/dbraw/zinc/90/68/88/1075906888.db2.gz GMAYICOEHINZQY-QGZVFWFLSA-N 0 1 403.460 1.073 20 30 HDEDMN N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCC(OCCCO)CC2)CC1 ZINC000611430188 1075930157 /nfs/dbraw/zinc/93/01/57/1075930157.db2.gz OLMXKYVPNRDELX-GOSISDBHSA-N 0 1 406.552 1.320 20 30 HDEDMN C#CCCNC(=O)C(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccccc2OC)c1 ZINC000733674057 1076156521 /nfs/dbraw/zinc/15/65/21/1076156521.db2.gz DBDGOEIFTJXEHD-UHFFFAOYSA-N 0 1 415.471 1.882 20 30 HDEDMN C#Cc1cccc(NC(=O)CN(C)C(=O)[C@H](C)NC(=O)c2n[nH]c3ccccc32)c1 ZINC000727754462 1076227462 /nfs/dbraw/zinc/22/74/62/1076227462.db2.gz FAWBBTVLGYAATD-AWEZNQCLSA-N 0 1 403.442 1.760 20 30 HDEDMN CCOCCO[C@@H](C)C(=O)C(C#N)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000729890210 1076380653 /nfs/dbraw/zinc/38/06/53/1076380653.db2.gz ZCKLYPWNUDTNNH-NWDGAFQWSA-N 0 1 407.379 1.455 20 30 HDEDMN C=CCn1c(=O)c2ccc(C(=O)N3CC[NH+]([C@H]4CCC[C@@H]4O)CC3)cc2[n-]c1=S ZINC000730086709 1076440593 /nfs/dbraw/zinc/44/05/93/1076440593.db2.gz PLACUTPDOMFLJN-ROUUACIJSA-N 0 1 414.531 1.542 20 30 HDEDMN C#CCOc1ccc(NC(=O)C(=O)NCc2cccnc2N2CCN(C)CC2)cc1 ZINC000731128333 1076735155 /nfs/dbraw/zinc/73/51/55/1076735155.db2.gz VTLSEHACZQOJRB-UHFFFAOYSA-N 0 1 407.474 1.100 20 30 HDEDMN CSc1nc(Cl)c(C#N)c(N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164740771 720600519 /nfs/dbraw/zinc/60/05/19/720600519.db2.gz IWZTWBTXHICCQK-RYUDHWBXSA-N 0 1 403.899 1.855 20 30 HDEDMN N#C[C@@]1(C(=O)N2CCC([C@@H]3OCC[C@H]3NC(=O)C(F)(F)F)CC2)CCCOC1 ZINC001128872024 1074605007 /nfs/dbraw/zinc/60/50/07/1074605007.db2.gz XJRCYYCQXVYFKP-KEYYUXOJSA-N 0 1 403.401 1.381 20 30 HDEDMN C[C@@H]1C[C@@H](O)C[C@H](C)N1CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000429313953 1074694175 /nfs/dbraw/zinc/69/41/75/1074694175.db2.gz DXCIEBOXUDRPGZ-MUJYYYPQSA-N 0 1 413.478 1.689 20 30 HDEDMN CC(C)n1cc(C#N)c(NC(=O)C(=O)NCC2(N3CCSCC3)CCCC2)n1 ZINC000552702069 1074704112 /nfs/dbraw/zinc/70/41/12/1074704112.db2.gz OQBGEPFDSGFCFI-UHFFFAOYSA-N 0 1 404.540 1.752 20 30 HDEDMN Cc1cc(NC(=O)C(=O)N2CCC[C@H]2c2n[nH]c(-c3ccccc3)n2)nn1CCC#N ZINC000442243050 1074712248 /nfs/dbraw/zinc/71/22/48/1074712248.db2.gz OQMHXBIMUBCDPT-INIZCTEOSA-N 0 1 418.461 2.193 20 30 HDEDMN Cc1cc(NC(=O)C(=O)N2CCC[C@H]2c2nc(-c3ccccc3)n[nH]2)nn1CCC#N ZINC000442243050 1074712258 /nfs/dbraw/zinc/71/22/58/1074712258.db2.gz OQMHXBIMUBCDPT-INIZCTEOSA-N 0 1 418.461 2.193 20 30 HDEDMN CCOC(=O)CON=C(C(=O)NCc1c(F)cccc1N1CCCC1)c1ccn[nH]1 ZINC000804127910 1075475163 /nfs/dbraw/zinc/47/51/63/1075475163.db2.gz CBOJKNYKHQIJDF-UHFFFAOYSA-N 0 1 417.441 1.749 20 30 HDEDMN CC(=O)Nc1ccc(S(=O)(=O)CCCN(C)CCCc2[nH]nc(N)c2C#N)cc1 ZINC000536343572 1075626754 /nfs/dbraw/zinc/62/67/54/1075626754.db2.gz SOJUUIGFIPXEAJ-UHFFFAOYSA-N 0 1 418.523 1.550 20 30 HDEDMN CC(=O)Nc1ccc(NS(C)(=O)=O)c(C(=O)Nc2cc(C)n(CCC#N)n2)c1 ZINC000504371712 1075740337 /nfs/dbraw/zinc/74/03/37/1075740337.db2.gz PRHXASIGAOUNFU-UHFFFAOYSA-N 0 1 404.452 1.687 20 30 HDEDMN Cc1cc(NC(=O)CN(C)CCCc2[nH]nc(N)c2C#N)n(-c2ccccc2F)n1 ZINC000534833753 1075742649 /nfs/dbraw/zinc/74/26/49/1075742649.db2.gz IOLRONLKWLEQPF-UHFFFAOYSA-N 0 1 410.457 2.000 20 30 HDEDMN C[C@H](CC#N)N(C)S(=O)(=O)N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000509269944 1075781312 /nfs/dbraw/zinc/78/13/12/1075781312.db2.gz LIENRGGALAYXNL-ZWNOBZJWSA-N 0 1 402.402 1.981 20 30 HDEDMN N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)N2CC[C@@H](N3CC=CC3)C2)n1 ZINC000543925684 1075787558 /nfs/dbraw/zinc/78/75/58/1075787558.db2.gz JPOXXWIYBSWYJK-MRXNPFEDSA-N 0 1 410.865 1.809 20 30 HDEDMN C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H](c1nnc[nH]1)c1ccccc1 ZINC000543606217 1075852721 /nfs/dbraw/zinc/85/27/21/1075852721.db2.gz HSEVKZJQKFFNIT-DYVFJYSZSA-N 0 1 410.459 1.249 20 30 HDEDMN COc1ccc(CCCCCC(=O)C(C#N)C(=O)N2CCS(=O)(=O)CC2)cc1 ZINC000732908745 1075904010 /nfs/dbraw/zinc/90/40/10/1075904010.db2.gz QKUTZXNBLQPJMJ-SFHVURJKSA-N 0 1 406.504 1.764 20 30 HDEDMN N#C[C@@H](C(=O)C=Cc1ccccc1OC(F)(F)F)C(=O)N1CCS(=O)(=O)CC1 ZINC000732910104 1075908181 /nfs/dbraw/zinc/90/81/81/1075908181.db2.gz MFVJAARGPHIUJA-SZZPACECSA-N 0 1 416.377 1.564 20 30 HDEDMN CCCCn1c(N)c(N(CC)C(=O)CN[C@@H](C)c2cccc(C#N)c2)c(=O)[nH]c1=O ZINC000611387904 1075923458 /nfs/dbraw/zinc/92/34/58/1075923458.db2.gz VIUVVDFHSMATJH-AWEZNQCLSA-N 0 1 412.494 1.907 20 30 HDEDMN N#Cc1cnn(-c2ccc(C(=O)OCC3=Nc4ccccc4S(=O)(=O)N3)cc2)c1N ZINC000727188687 1076076969 /nfs/dbraw/zinc/07/69/69/1076076969.db2.gz AISIFLPSQQQGAX-UHFFFAOYSA-N 0 1 422.426 1.505 20 30 HDEDMN C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2cccc3c2CN([C@H](C)C(C)C)C3)CC1 ZINC000727947640 1076293371 /nfs/dbraw/zinc/29/33/71/1076293371.db2.gz PPKXOQGYJLQYCG-QGZVFWFLSA-N 0 1 424.545 1.973 20 30 HDEDMN C=CCN(CC=C)C(=O)[C@@H](C)OC(=O)c1cc(NC(C)=O)ccc1NS(C)(=O)=O ZINC000728106568 1076336303 /nfs/dbraw/zinc/33/63/03/1076336303.db2.gz ZNVDVKBZBDIEKN-CYBMUJFWSA-N 0 1 423.491 1.762 20 30 HDEDMN COc1cc(C=Nn2c(=O)c3ccccc3[nH]c2=S)cc(OC)c1OCC(N)=O ZINC000730582050 1076602389 /nfs/dbraw/zinc/60/23/89/1076602389.db2.gz BDCJKCLBINSPRK-UHFFFAOYSA-N 0 1 414.443 1.449 20 30 HDEDMN COc1ccc(CN2CCCN(C(=O)COC(=O)c3ccc(C#N)cn3)CC2)cc1 ZINC000730895727 1076687948 /nfs/dbraw/zinc/68/79/48/1076687948.db2.gz OJOONNAJIHNXHK-UHFFFAOYSA-N 0 1 408.458 1.853 20 30 HDEDMN C#CCNC(=O)C1CCN(C(=O)NCC2(N3CCOC(C)(C)C3)CCCCC2)CC1 ZINC000731285433 1076774892 /nfs/dbraw/zinc/77/48/92/1076774892.db2.gz XHDLMHYATWCZOT-UHFFFAOYSA-N 0 1 418.582 1.971 20 30 HDEDMN CCOC(=O)c1cc(C)nc(N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)c1C#N ZINC001164740602 720661944 /nfs/dbraw/zinc/66/19/44/720661944.db2.gz RBZWUDDIZFETNP-JKSUJKDBSA-N 0 1 408.462 1.570 20 30 HDEDMN CCc1nc(C#N)c(C#N)nc1N1CC[C@@]2(C1)CCC[C@@H](CN1CCN(C)CC1)O2 ZINC001164894932 721446460 /nfs/dbraw/zinc/44/64/60/721446460.db2.gz NOGUXVWRSNYOQI-HTAPYJJXSA-N 0 1 409.538 1.548 20 30 HDEDMN N#C[C@H](c1nc2ccccc2nc1-n1cnc(CN)n1)S(=O)(=O)c1ccc(F)cc1 ZINC001168750125 1073988315 /nfs/dbraw/zinc/98/83/15/1073988315.db2.gz KDTKTCNSVSLICP-MRXNPFEDSA-N 0 1 423.433 1.847 20 30 HDEDMN C[C@H](CC#N)N(C)S(=O)(=O)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000509366222 1075266167 /nfs/dbraw/zinc/26/61/67/1075266167.db2.gz ROXONFJIWHEPEB-RTBURBONSA-N 0 1 420.583 1.394 20 30 HDEDMN Cc1cccc(N2CCN(CCCCNS(=O)(=O)N(C)[C@@H](C)CC#N)CC2)c1 ZINC000509418728 1075575940 /nfs/dbraw/zinc/57/59/40/1075575940.db2.gz UIODECAZUWFMPW-IBGZPJMESA-N 0 1 407.584 1.966 20 30 HDEDMN CN(C)C(=O)c1ccc(C(=O)[C@@H](C#N)c2nc(N)nc(Nc3ccccc3)n2)cc1 ZINC000484069795 1075698003 /nfs/dbraw/zinc/69/80/03/1075698003.db2.gz NIUISQVPUSMXHP-MRXNPFEDSA-N 0 1 401.430 1.811 20 30 HDEDMN CN(C)C(=O)c1ccc(C(=O)C(C#N)c2nc(N)nc(Nc3ccccc3)n2)cc1 ZINC000484069795 1075698006 /nfs/dbraw/zinc/69/80/06/1075698006.db2.gz NIUISQVPUSMXHP-MRXNPFEDSA-N 0 1 401.430 1.811 20 30 HDEDMN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 ZINC000543930409 1075700691 /nfs/dbraw/zinc/70/06/91/1075700691.db2.gz LBOKQUQVZQMTDS-MLGOLLRUSA-N 0 1 412.881 1.935 20 30 HDEDMN Cc1cccn2c1ncc(C(=O)C(C#N)c1nc(N)nc(Nc3ccccc3)n1)c2=O ZINC000539147971 1075724507 /nfs/dbraw/zinc/72/45/07/1075724507.db2.gz MXWHEAMIJZKUAP-AWEZNQCLSA-N 0 1 412.413 1.426 20 30 HDEDMN N#Cc1ccc(-n2ccc(NC(=O)C(=O)N[C@@H]3CCc4nc[nH]c4C3)n2)c(Cl)c1 ZINC000589438371 1075796287 /nfs/dbraw/zinc/79/62/87/1075796287.db2.gz LOLCKKHUOLDOGF-GFCCVEGCSA-N 0 1 409.837 1.733 20 30 HDEDMN CCN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C[C@@H]1C ZINC000611088211 1075827211 /nfs/dbraw/zinc/82/72/11/1075827211.db2.gz JVLIDMSSEAMXGT-INIZCTEOSA-N 0 1 404.536 1.512 20 30 HDEDMN C[C@H](NCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)c1cccc(C#N)c1 ZINC000611388378 1075923446 /nfs/dbraw/zinc/92/34/46/1075923446.db2.gz GXCRBTSCSZFSNB-KRWDZBQOSA-N 0 1 412.515 1.742 20 30 HDEDMN N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCC(OCCCO)CC2)CC1 ZINC000611430195 1075930062 /nfs/dbraw/zinc/93/00/62/1075930062.db2.gz OLMXKYVPNRDELX-SFHVURJKSA-N 0 1 406.552 1.320 20 30 HDEDMN C=CCNC(=O)NC(=O)COC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000733529973 1076095570 /nfs/dbraw/zinc/09/55/70/1076095570.db2.gz FXVDTVVMFXMFBC-GOSISDBHSA-N 0 1 413.396 1.996 20 30 HDEDMN Cn1c(=O)c2ccc(C(=O)NC3CCN(c4ccc(C#N)cn4)CC3)cc2[nH]c1=S ZINC000727411911 1076118510 /nfs/dbraw/zinc/11/85/10/1076118510.db2.gz XDIZZQCJPBSUSR-UHFFFAOYSA-N 0 1 420.498 1.888 20 30 HDEDMN C#CCNC(=O)C1CCN(C(=O)N[C@@H](CN2CCN(C)CC2)c2ccccc2)CC1 ZINC000727946426 1076293168 /nfs/dbraw/zinc/29/31/68/1076293168.db2.gz ZFGHEAOYFVBTKK-NRFANRHFSA-N 0 1 411.550 1.146 20 30 HDEDMN CCOC(=O)C1C(COC(=O)c2ccc(C#N)cn2)=NC(=O)N[C@H]1c1ccccc1 ZINC000730891610 1076685789 /nfs/dbraw/zinc/68/57/89/1076685789.db2.gz ZMKVXJSNWGCSTE-SFHVURJKSA-N 0 1 406.398 1.981 20 30 HDEDMN C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NCCN2CCC(OC)CC2)cc1 ZINC000674320998 1074282357 /nfs/dbraw/zinc/28/23/57/1074282357.db2.gz RAXGTYBMZXOPBJ-UHFFFAOYSA-N 0 1 403.483 1.160 20 30 HDEDMN S=C(NCc1ccc2c(c1)OCO2)NN=C1CCN(CCN2CCOCC2)CC1 ZINC000731557854 1075382098 /nfs/dbraw/zinc/38/20/98/1075382098.db2.gz ZUPWWLLYHWUSMM-UHFFFAOYSA-N 0 1 419.551 1.163 20 30 HDEDMN COCCCOc1ccc(C(=O)C(C#N)c2nc(N)nc(Nc3ccccc3)n2)cn1 ZINC000587988747 1075632768 /nfs/dbraw/zinc/63/27/68/1075632768.db2.gz NHLYIUWFHVJXAN-MRXNPFEDSA-N 0 1 419.445 1.920 20 30 HDEDMN CN(CCCc1[nH]nc(N)c1C#N)CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000536342463 1075660104 /nfs/dbraw/zinc/66/01/04/1075660104.db2.gz SWXVETPAEYMCOY-UHFFFAOYSA-N 0 1 418.423 1.915 20 30 HDEDMN CN(C)C(=O)c1cccc(C(=O)[C@@H](C#N)c2nc(N)nc(Nc3ccccc3)n2)c1 ZINC000503560933 1075697953 /nfs/dbraw/zinc/69/79/53/1075697953.db2.gz DRHCJAWLLUNATG-MRXNPFEDSA-N 0 1 401.430 1.811 20 30 HDEDMN CN(C)C(=O)c1cccc(C(=O)C(C#N)c2nc(N)nc(Nc3ccccc3)n2)c1 ZINC000503560933 1075697957 /nfs/dbraw/zinc/69/79/57/1075697957.db2.gz DRHCJAWLLUNATG-MRXNPFEDSA-N 0 1 401.430 1.811 20 30 HDEDMN N#Cc1ccc(CN2CCCN(C(=O)NCCNC(=O)C3N=CC=CC3=O)CC2)cc1 ZINC000732467004 1075754453 /nfs/dbraw/zinc/75/44/53/1075754453.db2.gz RZESTKQWQUFGKZ-MRCUWXFGSA-N 0 1 422.489 1.302 20 30 HDEDMN N#CCCn1ccc(NC(=O)C(=O)N2CCC[C@@H](c3n[nH]c(C4CCCCC4)n3)C2)n1 ZINC000441657449 1075771268 /nfs/dbraw/zinc/77/12/68/1075771268.db2.gz AQOZTJNUGJZEOH-MRXNPFEDSA-N 0 1 424.509 2.307 20 30 HDEDMN CC(C)CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 ZINC000589485496 1075804204 /nfs/dbraw/zinc/80/42/04/1075804204.db2.gz OOZQTRCMDKPGKJ-KRWDZBQOSA-N 0 1 423.452 2.318 20 30 HDEDMN CC(C)CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 ZINC000589485505 1075804259 /nfs/dbraw/zinc/80/42/59/1075804259.db2.gz OOZQTRCMDKPGKJ-QGZVFWFLSA-N 0 1 423.452 2.318 20 30 HDEDMN CN(CC(=O)N[C@H](c1nnc[nH]1)c1ccccc1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000543605838 1075848846 /nfs/dbraw/zinc/84/88/46/1075848846.db2.gz WIQGHIFOBXLWOI-SFHVURJKSA-N 0 1 410.459 1.203 20 30 HDEDMN N#CC(C(=O)CCCCc1nc2ccccc2s1)C(=O)N1CCS(=O)(=O)CC1 ZINC000732910864 1075908841 /nfs/dbraw/zinc/90/88/41/1075908841.db2.gz UIQVUCSOZQQZBM-CQSZACIVSA-N 0 1 419.528 1.975 20 30 HDEDMN N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCC(OCCCO)CC2)CC1 ZINC000611430131 1075930026 /nfs/dbraw/zinc/93/00/26/1075930026.db2.gz FSCSAVPEXFGROD-OAQYLSRUSA-N 0 1 418.513 1.398 20 30 HDEDMN Cc1ccc(S(N)(=O)=O)cc1C(=O)NC1(C#N)CCN(Cc2ccccc2)CC1 ZINC000611505601 1075949874 /nfs/dbraw/zinc/94/98/74/1075949874.db2.gz AGZYYOVHXXTHRB-UHFFFAOYSA-N 0 1 412.515 1.931 20 30 HDEDMN C=CCn1c(=O)c2ccc(C(=O)NC[C@H]3CCC[N@@H+]3CCOC)cc2[n-]c1=S ZINC000727859914 1076275159 /nfs/dbraw/zinc/27/51/59/1076275159.db2.gz IQKVRXYWSHFFIX-OAHLLOKOSA-N 0 1 402.520 1.712 20 30 HDEDMN COc1ccc(S(=O)(=O)N2CCC(C(=O)C(C#N)C(=O)NC(C)C)CC2)cc1 ZINC000729888639 1076379676 /nfs/dbraw/zinc/37/96/76/1076379676.db2.gz MGJPTVBNKAXBRT-QGZVFWFLSA-N 0 1 407.492 1.329 20 30 HDEDMN CN1CCC(C#N)(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCCCC3)c2)CC1 ZINC000730092369 1076447830 /nfs/dbraw/zinc/44/78/30/1076447830.db2.gz GVFVKOSEHQFGHD-UHFFFAOYSA-N 0 1 408.499 1.718 20 30 HDEDMN CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCC[C@H]2c2n[nH]c(-c3ccccc3)n2)n1 ZINC000442250691 1074701956 /nfs/dbraw/zinc/70/19/56/1074701956.db2.gz LSVHHKSHRUMPEM-INIZCTEOSA-N 0 1 418.461 2.423 20 30 HDEDMN CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCC[C@H]2c2nc(-c3ccccc3)n[nH]2)n1 ZINC000442250691 1074701966 /nfs/dbraw/zinc/70/19/66/1074701966.db2.gz LSVHHKSHRUMPEM-INIZCTEOSA-N 0 1 418.461 2.423 20 30 HDEDMN CS(=O)(=O)c1ccccc1[N-][NH+]=C1c2ccc(N3CCOCC3)cc2NC1=O ZINC000731933389 1075575506 /nfs/dbraw/zinc/57/55/06/1075575506.db2.gz LRBVRIAGDWUVRA-UHFFFAOYSA-N 0 1 400.460 1.695 20 30 HDEDMN N#C[C@@H](C(=O)c1cccc(C(=O)NC2CC2)c1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000439653422 1075744821 /nfs/dbraw/zinc/74/48/21/1075744821.db2.gz VGMZXENLROASCK-KRWDZBQOSA-N 0 1 413.441 2.002 20 30 HDEDMN N#CC(C(=O)c1cccc(C(=O)NC2CC2)c1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000439653422 1075744825 /nfs/dbraw/zinc/74/48/25/1075744825.db2.gz VGMZXENLROASCK-KRWDZBQOSA-N 0 1 413.441 2.002 20 30 HDEDMN CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)NC2CCN(Cc3ccccn3)CC2)n1 ZINC000536977647 1075783586 /nfs/dbraw/zinc/78/35/86/1075783586.db2.gz CKQKOMGANRVSCA-UHFFFAOYSA-N 0 1 409.494 1.624 20 30 HDEDMN C#CCNC(=O)c1ccccc1NC(=O)Cc1c(C)nc(-c2ncccn2)[nH]c1=O ZINC000732756240 1075844977 /nfs/dbraw/zinc/84/49/77/1075844977.db2.gz LNXBAJHSSVONJX-UHFFFAOYSA-N 0 1 402.414 1.492 20 30 HDEDMN COC(=O)C(C)(C)[C@H]1CCCN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1 ZINC000611323542 1075901188 /nfs/dbraw/zinc/90/11/88/1075901188.db2.gz VXFVCXSATXAMLY-INIZCTEOSA-N 0 1 417.510 1.415 20 30 HDEDMN N#C[C@H](C(=O)C=Cc1ccccc1OC(F)(F)F)C(=O)N1CCS(=O)(=O)CC1 ZINC000732910105 1075908585 /nfs/dbraw/zinc/90/85/85/1075908585.db2.gz MFVJAARGPHIUJA-URWSZGRFSA-N 0 1 416.377 1.564 20 30 HDEDMN C=CCN1CCC(N2C(=O)N[C@H]3CN(C(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)CC[C@@H]32)CC1 ZINC001079165538 1075966641 /nfs/dbraw/zinc/96/66/41/1075966641.db2.gz XOTCXOTWMKNAOU-SXWOMNNJSA-N 0 1 400.523 1.055 20 30 HDEDMN C#CCCOc1ccc(CNCC(=O)Nc2cccc(S(=O)(=O)NC)c2)cc1 ZINC000733328355 1076045367 /nfs/dbraw/zinc/04/53/67/1076045367.db2.gz PNRJNOFXLGUHMC-UHFFFAOYSA-N 0 1 401.488 1.725 20 30 HDEDMN C#Cc1cccc(NC(=O)CN(C)C(=O)CCNC(=O)c2n[nH]c3ccccc32)c1 ZINC000727754483 1076227333 /nfs/dbraw/zinc/22/73/33/1076227333.db2.gz FKQDYGFSQKOCDI-UHFFFAOYSA-N 0 1 403.442 1.761 20 30 HDEDMN N#Cc1ccccc1OCC(=O)[N-]S(=O)(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000733856379 1076231667 /nfs/dbraw/zinc/23/16/67/1076231667.db2.gz COKQYOIHNOYTJO-UHFFFAOYSA-N 0 1 414.487 1.116 20 30 HDEDMN C#CCOc1ccc(NC(=O)C(=O)NCCCN2CCN(c3ccccc3)CC2)cc1 ZINC000731124929 1076727665 /nfs/dbraw/zinc/72/76/65/1076727665.db2.gz RNZGUCWAWRRQDQ-UHFFFAOYSA-N 0 1 420.513 1.966 20 30 HDEDMN N#CCNC(=O)COC(=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000731236167 1076763409 /nfs/dbraw/zinc/76/34/09/1076763409.db2.gz SKPDTQAGKNVGBA-UHFFFAOYSA-N 0 1 407.835 1.937 20 30 HDEDMN CN(C)C(=O)CN1CCOCC2(CCN(c3ncc4c(c3C#N)CCCC4)CC2)C1 ZINC001164877219 721293486 /nfs/dbraw/zinc/29/34/86/721293486.db2.gz MIOYMFPWJUJTIM-UHFFFAOYSA-N 0 1 411.550 1.839 20 30 HDEDMN CCN(C(=O)C(=O)Nc1nn(C(C)C)cc1C#N)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000446845485 1075185281 /nfs/dbraw/zinc/18/52/81/1075185281.db2.gz NBNJOFXHAHEBNK-LJQANCHMSA-N 0 1 408.506 2.397 20 30 HDEDMN CCc1nc([C@H](C)NC(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)n[nH]1 ZINC000541142523 1075539163 /nfs/dbraw/zinc/53/91/63/1075539163.db2.gz UZLXKTFCAXFMHH-JTQLQIEISA-N 0 1 412.841 1.894 20 30 HDEDMN CN(C)c1nc(N)nc(COc2cccc(NC(=O)c3ccc(C#N)c(O)c3)c2)n1 ZINC000442959639 1075634877 /nfs/dbraw/zinc/63/48/77/1075634877.db2.gz GAVGPQGBZXZQFQ-UHFFFAOYSA-N 0 1 405.418 1.928 20 30 HDEDMN C=CCn1c(CCN2CCCCC2)nn(CN(C)CC(=O)N2CCOCC2)c1=S ZINC000732180063 1075662208 /nfs/dbraw/zinc/66/22/08/1075662208.db2.gz QYIIMEDKPYHBGC-UHFFFAOYSA-N 0 1 422.599 1.377 20 30 HDEDMN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N ZINC000462949977 1075704584 /nfs/dbraw/zinc/70/45/84/1075704584.db2.gz DNPCJLQQYLTCKS-QAPCUYQASA-N 0 1 408.506 2.085 20 30 HDEDMN COc1cccc([C@@H](CNC(=O)NCCNC(=O)C2N=CC=CC2=O)N(C)C)c1 ZINC000732439021 1075744491 /nfs/dbraw/zinc/74/44/91/1075744491.db2.gz DCZLQEKABLNUKU-OZNQOIHVSA-N 0 1 401.467 1.124 20 30 HDEDMN N#CCCn1ccc(NC(=O)C(=O)N2CCC[C@H]2c2n[nH]c(-c3ccccc3)n2)n1 ZINC000442252260 1075771353 /nfs/dbraw/zinc/77/13/53/1075771353.db2.gz OYSHHPUVOMHIFA-HNNXBMFYSA-N 0 1 404.434 1.884 20 30 HDEDMN N#CCCn1ccc(NC(=O)C(=O)N2CCC[C@H]2c2nc(-c3ccccc3)n[nH]2)n1 ZINC000442252260 1075771359 /nfs/dbraw/zinc/77/13/59/1075771359.db2.gz OYSHHPUVOMHIFA-HNNXBMFYSA-N 0 1 404.434 1.884 20 30 HDEDMN C[C@@H](CC#N)N(C)S(=O)(=O)N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000509269936 1075781342 /nfs/dbraw/zinc/78/13/42/1075781342.db2.gz LIENRGGALAYXNL-GWCFXTLKSA-N 0 1 402.402 1.981 20 30 HDEDMN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC000541143492 1075808261 /nfs/dbraw/zinc/80/82/61/1075808261.db2.gz MENLVEOSJPLLGF-BLLLJJGKSA-N 0 1 412.881 1.935 20 30 HDEDMN COc1ccc([C@H](CNC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)N(C)C)cc1OC ZINC000732701151 1075835447 /nfs/dbraw/zinc/83/54/47/1075835447.db2.gz PUZIBUZMNDSXSE-ROUUACIJSA-N 0 1 401.511 1.688 20 30 HDEDMN C=CCn1c2nnc(SCC(=O)NCc3cc(CC)[nH]n3)n2c2ccccc2c1=O ZINC000732787974 1075870141 /nfs/dbraw/zinc/87/01/41/1075870141.db2.gz CVFUPZJJPIBXHP-UHFFFAOYSA-N 0 1 423.502 1.924 20 30 HDEDMN C#CCNC(=O)CN1CCCN(C(=O)c2[nH]nc3ccc(Br)cc32)CC1 ZINC000733149434 1075985166 /nfs/dbraw/zinc/98/51/66/1075985166.db2.gz GXSIKNQIEGHKQK-UHFFFAOYSA-N 0 1 418.295 1.223 20 30 HDEDMN COC(=O)CCCN1CCC(=NNC(=S)NCc2ccc3c(c2)OCO3)CC1 ZINC000727060120 1076035900 /nfs/dbraw/zinc/03/59/00/1076035900.db2.gz YZGPAMSRWJFFBS-UHFFFAOYSA-N 0 1 406.508 1.784 20 30 HDEDMN CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H]1CCN(CCOC)C1 ZINC000730788513 1076658456 /nfs/dbraw/zinc/65/84/56/1076658456.db2.gz UZLKRXWZPVOVNR-WBVHZDCISA-N 0 1 422.551 1.121 20 30 HDEDMN C#CCOc1cccc(NC(=O)C(=O)NCc2ccc(N3CCN(CC)CC3)nc2)c1 ZINC000731123440 1076726763 /nfs/dbraw/zinc/72/67/63/1076726763.db2.gz RCUUOXSULPLPAG-UHFFFAOYSA-N 0 1 421.501 1.490 20 30 HDEDMN CN(C)C(=O)CN1CCOCC2(CCN(c3nc4c(cc3C#N)COCC4)CC2)C1 ZINC001164875721 721289966 /nfs/dbraw/zinc/28/99/66/721289966.db2.gz GFJNLRUKFHECNT-UHFFFAOYSA-N 0 1 413.522 1.033 20 30 HDEDMN COC(=O)c1cc(C#N)cnc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164972197 722152817 /nfs/dbraw/zinc/15/28/17/722152817.db2.gz GOTOFUQQIRIQII-QUCCMNQESA-N 0 1 407.474 1.862 20 30 HDEDMN N#Cc1ccc2c(c1)N(C(=O)C(=O)NCCN1CCN(Cc3ccccc3)CC1)CC2 ZINC000555799326 1073510106 /nfs/dbraw/zinc/51/01/06/1073510106.db2.gz MUHVAOPZAKEUHQ-UHFFFAOYSA-N 0 1 417.513 1.381 20 30 HDEDMN O=C(NCC#Cc1ccc(C(F)(F)F)cc1)N[C@H]1CCN(CCN2CCOCC2)C1 ZINC000674630599 1074495650 /nfs/dbraw/zinc/49/56/50/1074495650.db2.gz FFRUVOYQMRPHFK-IBGZPJMESA-N 0 1 424.467 1.763 20 30 HDEDMN C[C@H](CC#N)N(C)S(=O)(=O)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000509366219 1075266216 /nfs/dbraw/zinc/26/62/16/1075266216.db2.gz ROXONFJIWHEPEB-MOPGFXCFSA-N 0 1 420.583 1.394 20 30 HDEDMN N#C[C@@]1(C(=O)NCC2(N3CCN(c4ccccc4)CC3)CCOCC2)CCCOC1 ZINC001129050673 1075267151 /nfs/dbraw/zinc/26/71/51/1075267151.db2.gz RQRFKEYRKBOJRH-QFIPXVFZSA-N 0 1 412.534 1.794 20 30 HDEDMN Cc1c(C(=O)C(C#N)C(=O)Nc2ccccn2)nnn1-c1ccc2c(c1)OCCO2 ZINC000731546791 1075386369 /nfs/dbraw/zinc/38/63/69/1075386369.db2.gz SMJHNRSQBMTGTO-CQSZACIVSA-N 0 1 404.386 1.703 20 30 HDEDMN O=C(CN=C1NS(=O)(=O)c2ccccc21)NCc1nc2ccc(Cl)cc2[nH]1 ZINC000731889409 1075557227 /nfs/dbraw/zinc/55/72/27/1075557227.db2.gz IGDKFRITUCNEOS-UHFFFAOYSA-N 0 1 403.851 1.571 20 30 HDEDMN NC(=O)CNC(=S)NN=Cc1cc(Br)cc(Br)c1O ZINC000731930244 1075575227 /nfs/dbraw/zinc/57/52/27/1075575227.db2.gz SLZMDABRCMUFMY-UHFFFAOYSA-N 0 1 410.091 1.201 20 30 HDEDMN N#CCSCCCN1CCCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000466735832 1075599083 /nfs/dbraw/zinc/59/90/83/1075599083.db2.gz NBIJMCWGEUYEKY-UHFFFAOYSA-N 0 1 411.549 1.801 20 30 HDEDMN CCN(CC)C(=O)c1cccc(NC(=O)CN(C)CCCc2[nH]nc(N)c2C#N)c1 ZINC000534098201 1075618508 /nfs/dbraw/zinc/61/85/08/1075618508.db2.gz HVOKFIMDJYQHOD-UHFFFAOYSA-N 0 1 411.510 1.849 20 30 HDEDMN N#CCCn1cc(C(=O)N2CCO[C@@H](c3nn[nH]n3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000732089933 1075622514 /nfs/dbraw/zinc/62/25/14/1075622514.db2.gz SNAXTUJZOGDRHW-OAHLLOKOSA-N 0 1 423.393 1.099 20 30 HDEDMN CN(CCCc1[nH]nc(N)c1C#N)C(=O)NCCN1CCN(Cc2ccccc2)CC1 ZINC000541896483 1075651255 /nfs/dbraw/zinc/65/12/55/1075651255.db2.gz YFTDKBBTDFQRBF-UHFFFAOYSA-N 0 1 424.553 1.255 20 30 HDEDMN COc1cc(OC)c(NC(=O)CN(C)CCCc2[nH]nc(N)c2C#N)cc1Cl ZINC000551462701 1075700364 /nfs/dbraw/zinc/70/03/64/1075700364.db2.gz QFXBKCXAZCNXFR-UHFFFAOYSA-N 0 1 406.874 2.037 20 30 HDEDMN Cc1ccc([C@H](CNC(=O)NCCNC(=O)C2N=CC=CC2=O)N2CCCC2)o1 ZINC000732459813 1075750275 /nfs/dbraw/zinc/75/02/75/1075750275.db2.gz RWIVAOCSTHFJEZ-MJWGMMHASA-N 0 1 401.467 1.551 20 30 HDEDMN N#CCCn1ccc(NC(=O)C(=O)N2CCC[C@@H]2c2n[nH]c(-c3ccccc3)n2)n1 ZINC000442252264 1075771304 /nfs/dbraw/zinc/77/13/04/1075771304.db2.gz OYSHHPUVOMHIFA-OAHLLOKOSA-N 0 1 404.434 1.884 20 30 HDEDMN N#CCCn1ccc(NC(=O)C(=O)N2CCC[C@@H]2c2nc(-c3ccccc3)n[nH]2)n1 ZINC000442252264 1075771309 /nfs/dbraw/zinc/77/13/09/1075771309.db2.gz OYSHHPUVOMHIFA-OAHLLOKOSA-N 0 1 404.434 1.884 20 30 HDEDMN N#Cc1ccccc1N1CCCN(C(=O)C(=O)Nc2ccn(-c3ccncc3)n2)CC1 ZINC000507224486 1075821929 /nfs/dbraw/zinc/82/19/29/1075821929.db2.gz AOLWLMPAROJEFB-UHFFFAOYSA-N 0 1 415.457 1.816 20 30 HDEDMN Cc1cccc(N2CCN(CCCNC(=O)N3CCN(C4CC4)[C@@H](C#N)C3)CC2)c1 ZINC000732673652 1075828884 /nfs/dbraw/zinc/82/88/84/1075828884.db2.gz CRDKOCBPVWDLRX-QFIPXVFZSA-N 0 1 410.566 1.889 20 30 HDEDMN CCN1CCN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C[C@H]1C ZINC000611092201 1075840072 /nfs/dbraw/zinc/84/00/72/1075840072.db2.gz KYNPWXRLMDVNGM-MRXNPFEDSA-N 0 1 412.494 1.481 20 30 HDEDMN C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000543606166 1075853938 /nfs/dbraw/zinc/85/39/38/1075853938.db2.gz GGWCMRNSTOAXGO-SUMWQHHRSA-N 0 1 410.459 1.249 20 30 HDEDMN CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCC(CC(=O)NC3CCCC3)CC2)CC1 ZINC000611371271 1075915503 /nfs/dbraw/zinc/91/55/03/1075915503.db2.gz YDEPVOIHWBIGAI-OAQYLSRUSA-N 0 1 417.598 1.840 20 30 HDEDMN CC(=O)Nc1ccc(NS(C)(=O)=O)c(C(=O)OCC(=O)N[C@](C)(C#N)C(C)C)c1 ZINC000728105654 1076335751 /nfs/dbraw/zinc/33/57/51/1076335751.db2.gz KSTGECVAZWFJMT-GOSISDBHSA-N 0 1 424.479 1.228 20 30 HDEDMN N#CC(C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1)C(=O)c1cocn1 ZINC000729888112 1076379811 /nfs/dbraw/zinc/37/98/11/1076379811.db2.gz HFLOVGORXOXYOX-HNNXBMFYSA-N 0 1 402.432 1.810 20 30 HDEDMN COc1ccc(S(=O)(=O)N2CCC(C(=O)C(C#N)C(=O)NC3CC3)CC2)cc1 ZINC000729889599 1076380229 /nfs/dbraw/zinc/38/02/29/1076380229.db2.gz QQOSYUIJYMLDSM-QGZVFWFLSA-N 0 1 405.476 1.083 20 30 HDEDMN CC(=O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)OCC(=O)NCC#N)cc2)cc1 ZINC000731237853 1076763275 /nfs/dbraw/zinc/76/32/75/1076763275.db2.gz QCSLOVZAPPNDQZ-UHFFFAOYSA-N 0 1 415.427 1.487 20 30 HDEDMN CSc1nc(Cl)c(C=NO)c(N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164736856 720657657 /nfs/dbraw/zinc/65/76/57/720657657.db2.gz BQIGPXHYTACRFN-VXGBXAGGSA-N 0 1 421.914 1.792 20 30 HDEDMN N#Cc1nc(Cl)c(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nc1C#N ZINC001164971411 722118785 /nfs/dbraw/zinc/11/87/85/722118785.db2.gz CJWZYKRZVKAVQB-MAUKXSAKSA-N 0 1 409.881 1.996 20 30 HDEDMN CCOC(=O)c1cnn(CCC#N)c1NS(=O)(=O)c1cccc(C(=O)OCC)c1 ZINC000509244599 1075124601 /nfs/dbraw/zinc/12/46/01/1075124601.db2.gz AAXVAJAGSDCDAC-UHFFFAOYSA-N 0 1 420.447 1.951 20 30 HDEDMN CCc1nc([C@H](C)NC(=O)C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)n[nH]1 ZINC000543928182 1075539169 /nfs/dbraw/zinc/53/91/69/1075539169.db2.gz LFVQCBMCENXNRH-JTQLQIEISA-N 0 1 412.841 1.894 20 30 HDEDMN CN(C(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000578536027 1075584176 /nfs/dbraw/zinc/58/41/76/1075584176.db2.gz SBJOKLMKMSTNIY-LJQANCHMSA-N 0 1 422.533 2.571 20 30 HDEDMN N#CCCn1cc(C(=O)N2CCO[C@H](c3nn[nH]n3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000732089931 1075622688 /nfs/dbraw/zinc/62/26/88/1075622688.db2.gz SNAXTUJZOGDRHW-HNNXBMFYSA-N 0 1 423.393 1.099 20 30 HDEDMN C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@H](C)CN1CCN(C)CC1 ZINC000429473769 1075728226 /nfs/dbraw/zinc/72/82/26/1075728226.db2.gz WAKYPOFQLMSPKD-HZPDHXFCSA-N 0 1 403.552 1.629 20 30 HDEDMN C=C(C)CCN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 ZINC000509260530 1075740058 /nfs/dbraw/zinc/74/00/58/1075740058.db2.gz REXSQSNAMUQOCU-UHFFFAOYSA-N 0 1 424.523 1.704 20 30 HDEDMN Cc1cc([C@H](C#N)C(=O)CNC(=O)[C@H]2c3ccccc3C(=O)N2C2CC2)nc(C)n1 ZINC000732495519 1075768111 /nfs/dbraw/zinc/76/81/11/1075768111.db2.gz XSHQUMXMLGPXDY-FXAWDEMLSA-N 0 1 403.442 1.745 20 30 HDEDMN COc1ccc([C@@H](CNC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)N(C)C)cc1OC ZINC000732701156 1075835413 /nfs/dbraw/zinc/83/54/13/1075835413.db2.gz PUZIBUZMNDSXSE-ZWKOTPCHSA-N 0 1 401.511 1.688 20 30 HDEDMN CCN1CCN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C[C@@H]1C ZINC000611092198 1075840116 /nfs/dbraw/zinc/84/01/16/1075840116.db2.gz KYNPWXRLMDVNGM-INIZCTEOSA-N 0 1 412.494 1.481 20 30 HDEDMN CN(CC(=O)N[C@@H](c1nnc[nH]1)c1ccccc1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000543605837 1075848695 /nfs/dbraw/zinc/84/86/95/1075848695.db2.gz WIQGHIFOBXLWOI-GOSISDBHSA-N 0 1 410.459 1.203 20 30 HDEDMN CN1CCN(C(C)(C)CNC(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)CC1 ZINC000611262619 1075888062 /nfs/dbraw/zinc/88/80/62/1075888062.db2.gz ZWSZDECINXOORG-UHFFFAOYSA-N 0 1 414.554 1.968 20 30 HDEDMN C[C@@H](NCC(=O)N1CCN(c2ncnc3c2cnn3C)CC1)c1cccc(C#N)c1 ZINC000611388177 1075923382 /nfs/dbraw/zinc/92/33/82/1075923382.db2.gz XUYLBEKMAYYCAJ-OAHLLOKOSA-N 0 1 404.478 1.234 20 30 HDEDMN C[C@H](NCC(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1)c1cccc(C#N)c1 ZINC000611387771 1075923437 /nfs/dbraw/zinc/92/34/37/1075923437.db2.gz SONXCJCPGYKJOW-SNRMKQJTSA-N 0 1 405.520 1.404 20 30 HDEDMN Cc1[nH]ncc1CCCNC(=O)CCNC(=O)[C@H]1CCCN1c1ccc(C#N)cc1 ZINC000611503964 1075949895 /nfs/dbraw/zinc/94/98/95/1075949895.db2.gz KBPMAGSRFNTRCJ-HXUWFJFHSA-N 0 1 408.506 1.814 20 30 HDEDMN C=C(C)CN1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC001079140475 1075965172 /nfs/dbraw/zinc/96/51/72/1075965172.db2.gz KNHWVNTTXWGNSD-VNXMGFANSA-N 0 1 400.519 1.688 20 30 HDEDMN N#CC(C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1)C(=O)c1cocn1 ZINC000729888113 1076379699 /nfs/dbraw/zinc/37/96/99/1076379699.db2.gz HFLOVGORXOXYOX-OAHLLOKOSA-N 0 1 402.432 1.810 20 30 HDEDMN CCCN1CCN(c2ccc(NC(=O)C(=O)N3CCO[C@@H](C#N)C3)cc2Cl)CC1 ZINC000730073678 1076437497 /nfs/dbraw/zinc/43/74/97/1076437497.db2.gz RDJPWGKEPZNJOQ-INIZCTEOSA-N 0 1 419.913 1.561 20 30 HDEDMN CCCN1CCN(c2ccc(NC(=O)C(=O)N3CCO[C@H](C#N)C3)cc2Cl)CC1 ZINC000730073679 1076437525 /nfs/dbraw/zinc/43/75/25/1076437525.db2.gz RDJPWGKEPZNJOQ-MRXNPFEDSA-N 0 1 419.913 1.561 20 30 HDEDMN CCN1CCN(c2ccc(CNS(=O)(=O)c3ccc(C#N)nc3)cc2F)CC1 ZINC000730269012 1076508712 /nfs/dbraw/zinc/50/87/12/1076508712.db2.gz MEGWAPYKFHKWPN-UHFFFAOYSA-N 0 1 403.483 1.713 20 30 HDEDMN C#CCN1CCC(C(=O)N2CCN(CCNC(=O)c3ccccc3F)CC2)CC1 ZINC000731201633 1076753005 /nfs/dbraw/zinc/75/30/05/1076753005.db2.gz CBLDKYBYUKQPSQ-UHFFFAOYSA-N 0 1 400.498 1.045 20 30 HDEDMN CN(C)C(=O)CN1CCOCC2(CCN(c3nc(Cl)c(F)cc3C#N)CC2)C1 ZINC001164871865 721261693 /nfs/dbraw/zinc/26/16/93/721261693.db2.gz ARSPDMHSHDWFJS-UHFFFAOYSA-N 0 1 409.893 1.753 20 30 HDEDMN C=CCNC(=O)c1cccnc1N1CC[C@]2(C1)CCC[C@@H](CN1CCN(C)CC1)O2 ZINC001164890713 721434213 /nfs/dbraw/zinc/43/42/13/721434213.db2.gz DKOLSECHLOVVSX-CVDCTZTESA-N 0 1 413.566 1.763 20 30 HDEDMN CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nc5c(cc4C#N)COCC5)C3)O2)CC1 ZINC001164897811 721443445 /nfs/dbraw/zinc/44/34/45/721443445.db2.gz URWBEVULQOZNJL-REWPJTCUSA-N 0 1 411.550 1.791 20 30 HDEDMN O=C(NCC#Cc1ccc(C(F)(F)F)cc1)N[C@@H]1CCN(CCN2CCOCC2)C1 ZINC000674630600 1074495593 /nfs/dbraw/zinc/49/55/93/1074495593.db2.gz FFRUVOYQMRPHFK-LJQANCHMSA-N 0 1 424.467 1.763 20 30 HDEDMN CCOC(=O)c1cnn(CCC#N)c1NS(=O)(=O)c1ccc(C(=O)N(C)C)cc1 ZINC000509245062 1075117494 /nfs/dbraw/zinc/11/74/94/1075117494.db2.gz BUSRJRLKDUZSPU-UHFFFAOYSA-N 0 1 419.463 1.476 20 30 HDEDMN CCN(C(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N)[C@H]1CCN(Cc2ccccc2)C1 ZINC000446867179 1075185404 /nfs/dbraw/zinc/18/54/04/1075185404.db2.gz KWMXIMLWYIIUTE-IBGZPJMESA-N 0 1 422.533 2.571 20 30 HDEDMN CC(=NNc1ccc(F)cn1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000731321070 1075307309 /nfs/dbraw/zinc/30/73/09/1075307309.db2.gz CPLMQGZWVFDTHS-UHFFFAOYSA-N 0 1 400.457 1.782 20 30 HDEDMN CN(C(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)[C@@H]1CCN(C2CC2)C1 ZINC000439596984 1075584817 /nfs/dbraw/zinc/58/48/17/1075584817.db2.gz QDXGWQQHNYWUSX-MRXNPFEDSA-N 0 1 412.881 2.031 20 30 HDEDMN CCN(Cc1ccc2c(c1)OCCO2)C(=O)CN(C)CCCc1[nH]nc(N)c1C#N ZINC000534831798 1075624543 /nfs/dbraw/zinc/62/45/43/1075624543.db2.gz KJXBZDRLECCHSC-UHFFFAOYSA-N 0 1 412.494 1.548 20 30 HDEDMN CN(CCCc1[nH]nc(N)c1C#N)CC(=O)N[C@H](c1nccs1)c1ccccc1 ZINC000551462636 1075660627 /nfs/dbraw/zinc/66/06/27/1075660627.db2.gz MVPNPLKNECRROH-SFHVURJKSA-N 0 1 409.519 2.090 20 30 HDEDMN CCCCCCC[C@]1(C)NC(=O)N(NC(=O)CN(C)c2ncnc3[nH]cnc32)C1=O ZINC000732257980 1075688727 /nfs/dbraw/zinc/68/87/27/1075688727.db2.gz CJBFUEGIAQYIDP-IBGZPJMESA-N 0 1 416.486 1.491 20 30 HDEDMN Cc1ccc([C@H](CNC(=O)NCCNC(=O)C2N=CC=CC2=O)N2CCCC2)o1 ZINC000732459812 1075750195 /nfs/dbraw/zinc/75/01/95/1075750195.db2.gz RWIVAOCSTHFJEZ-IJYGLTAASA-N 0 1 401.467 1.551 20 30 HDEDMN CN1CCN(C)[C@H](CNC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)C1 ZINC000732484437 1075762713 /nfs/dbraw/zinc/76/27/13/1075762713.db2.gz DFLSPXHXCSXOOR-RTWAWAEBSA-N 0 1 405.502 1.643 20 30 HDEDMN N#Cc1ccc(-n2ccc(NC(=O)C(=O)NCCN3CCCCC3)n2)c(Cl)c1 ZINC000543937104 1075795038 /nfs/dbraw/zinc/79/50/38/1075795038.db2.gz BUTRWLVUKDKTJO-UHFFFAOYSA-N 0 1 400.870 1.938 20 30 HDEDMN CCN1CCN(c2ccc(CNC(=O)N3CCN(C4CC4)[C@H](C#N)C3)cc2F)CC1 ZINC000732704484 1075837201 /nfs/dbraw/zinc/83/72/01/1075837201.db2.gz WKOWXHNFPYNJDI-LJQANCHMSA-N 0 1 414.529 1.849 20 30 HDEDMN N#C[C@H](C(=O)C=Cc1ccc(Br)o1)C(=O)N1CCS(=O)(=O)CC1 ZINC000732911222 1075909162 /nfs/dbraw/zinc/90/91/62/1075909162.db2.gz YBUGPAFYJFYVNQ-NNRVYMOVSA-N 0 1 401.238 1.021 20 30 HDEDMN C[C@@H](NCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)c1cccc(C#N)c1 ZINC000611388379 1075923399 /nfs/dbraw/zinc/92/33/99/1075923399.db2.gz GXCRBTSCSZFSNB-QGZVFWFLSA-N 0 1 412.515 1.742 20 30 HDEDMN COC(=O)C[C@@H]1CCCCN1CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 ZINC000611429355 1075929292 /nfs/dbraw/zinc/92/92/92/1075929292.db2.gz COXSTXGOPWFMQY-IRXDYDNUSA-N 0 1 404.536 1.875 20 30 HDEDMN N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCC(OCCCO)CC2)CC1 ZINC000611430130 1075929661 /nfs/dbraw/zinc/92/96/61/1075929661.db2.gz FSCSAVPEXFGROD-NRFANRHFSA-N 0 1 418.513 1.398 20 30 HDEDMN C#CCN(CCC(=O)NCC(=O)OC)[C@@H]1CCOc2ccc(Br)cc21 ZINC000733195501 1076001891 /nfs/dbraw/zinc/00/18/91/1076001891.db2.gz PFOYLTCNLUDOPI-OAHLLOKOSA-N 0 1 409.280 1.887 20 30 HDEDMN COC(=O)c1cc(C#N)cnc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164972198 722152655 /nfs/dbraw/zinc/15/26/55/722152655.db2.gz GOTOFUQQIRIQII-UYAOXDASSA-N 0 1 407.474 1.862 20 30 HDEDMN Cc1nc(C#N)c(N2CCN(C(=O)CN[C@H](C)[C@H]3OCCc4sccc43)CC2)o1 ZINC000429188917 1074017420 /nfs/dbraw/zinc/01/74/20/1074017420.db2.gz JPGUVGWKHAPVDG-BFUOFWGJSA-N 0 1 415.519 1.857 20 30 HDEDMN C[C@H](CN1CCN(C)CC1)NC(=O)C(=O)Nc1cccc(C#Cc2cccs2)c1 ZINC000674295811 1074258361 /nfs/dbraw/zinc/25/83/61/1074258361.db2.gz VRZFHMDAPNBSPV-QGZVFWFLSA-N 0 1 410.543 1.839 20 30 HDEDMN CCN(C(=O)C(=O)Nc1cc(C)n(CCC#N)n1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000446869104 1075186149 /nfs/dbraw/zinc/18/61/49/1075186149.db2.gz WTWMHNDMUGKWGI-IBGZPJMESA-N 0 1 408.506 2.167 20 30 HDEDMN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCCN(C)Cc1ccccc1 ZINC000460577420 1075380991 /nfs/dbraw/zinc/38/09/91/1075380991.db2.gz PJEBHMHHMRXNKP-UHFFFAOYSA-N 0 1 417.473 1.634 20 30 HDEDMN C[C@@H]1CN(C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CCN1CC(C)(C)O ZINC000444920958 1075611049 /nfs/dbraw/zinc/61/10/49/1075611049.db2.gz AWYGHYXCQOJFHS-CQSZACIVSA-N 0 1 400.458 2.192 20 30 HDEDMN C=CCn1c(=O)c2ccc(C(=O)N(C)CCC[NH+]3CCN(C)CC3)cc2[n-]c1=S ZINC000732115235 1075628233 /nfs/dbraw/zinc/62/82/33/1075628233.db2.gz VHSPVJUFNHAKIT-UHFFFAOYSA-N 0 1 415.563 1.581 20 30 HDEDMN COc1cccc([C@H](CNC(=O)NCCNC(=O)C2N=CC=CC2=O)N(C)C)c1 ZINC000732439022 1075744468 /nfs/dbraw/zinc/74/44/68/1075744468.db2.gz DCZLQEKABLNUKU-RUNIHZNKSA-N 0 1 401.467 1.124 20 30 HDEDMN CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 ZINC000574029270 1075767561 /nfs/dbraw/zinc/76/75/61/1075767561.db2.gz ZSVXOEYBQIXORW-UHFFFAOYSA-N 0 1 420.477 1.816 20 30 HDEDMN Cc1ccc(C)c(OCCCCC(=O)C(C#N)C(=O)N2CCS(=O)(=O)CC2)c1 ZINC000732907560 1075903242 /nfs/dbraw/zinc/90/32/42/1075903242.db2.gz AVDJZQQVTNHETP-QGZVFWFLSA-N 0 1 406.504 1.818 20 30 HDEDMN CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCC(C(N)=O)(c3ccccc3)CC2)CC1 ZINC000611371802 1075916033 /nfs/dbraw/zinc/91/60/33/1075916033.db2.gz ATBDIFUBIVADMS-HXUWFJFHSA-N 0 1 411.550 1.198 20 30 HDEDMN C[C@H](NCC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1)c1cccc(C#N)c1 ZINC000611388333 1075923514 /nfs/dbraw/zinc/92/35/14/1075923514.db2.gz FOFLUQMOWWXKKQ-KRWDZBQOSA-N 0 1 406.486 1.998 20 30 HDEDMN COC(=O)C[C@H]1CCCCN1CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000611429394 1075928834 /nfs/dbraw/zinc/92/88/34/1075928834.db2.gz LHSPZXWHKWWTMA-UXHICEINSA-N 0 1 416.497 1.952 20 30 HDEDMN O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)Nc1cnn(-c2ccncc2)c1 ZINC000727107459 1076046151 /nfs/dbraw/zinc/04/61/51/1076046151.db2.gz CCTVIZLWIYGDBY-UHFFFAOYSA-N 0 1 410.459 1.725 20 30 HDEDMN C=CCNC(=O)NC(=O)COC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000733529974 1076095630 /nfs/dbraw/zinc/09/56/30/1076095630.db2.gz FXVDTVVMFXMFBC-SFHVURJKSA-N 0 1 413.396 1.996 20 30 HDEDMN C=CCn1c(=O)c2ccc(C(=O)NC[C@@H]3CCC[N@@H+]3CCOC)cc2[n-]c1=S ZINC000727859913 1076275134 /nfs/dbraw/zinc/27/51/34/1076275134.db2.gz IQKVRXYWSHFFIX-HNNXBMFYSA-N 0 1 402.520 1.712 20 30 HDEDMN CN1CCN(c2ccccc2NC(=O)C(=O)NCc2ccc(OCC#N)cc2)CC1 ZINC000727947500 1076293430 /nfs/dbraw/zinc/29/34/30/1076293430.db2.gz MVNXAMPKUUDTGR-UHFFFAOYSA-N 0 1 407.474 1.596 20 30 HDEDMN CN1CCN(S(=O)(=O)c2ccc(NN=Cc3cc(F)c(F)c(F)c3)nc2)CC1 ZINC000727969767 1076300042 /nfs/dbraw/zinc/30/00/42/1076300042.db2.gz KWFFFQJFZDWABC-UHFFFAOYSA-N 0 1 413.425 1.881 20 30 HDEDMN N#CC(C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)c1nc(-c2ccncc2)cs1 ZINC000734084154 1076305461 /nfs/dbraw/zinc/30/54/61/1076305461.db2.gz XCUOPJZFONZHMR-AWEZNQCLSA-N 0 1 411.468 1.879 20 30 HDEDMN CC(=O)Nc1ccc(NS(C)(=O)=O)c(C(=O)OCC(=O)N[C@@](C)(C#N)C(C)C)c1 ZINC000728105655 1076335690 /nfs/dbraw/zinc/33/56/90/1076335690.db2.gz KSTGECVAZWFJMT-SFHVURJKSA-N 0 1 424.479 1.228 20 30 HDEDMN COc1ccc(S(=O)(=O)N2CCC(C(=O)C(C#N)C(=O)NC3CC3)CC2)cc1 ZINC000729889597 1076380302 /nfs/dbraw/zinc/38/03/02/1076380302.db2.gz QQOSYUIJYMLDSM-KRWDZBQOSA-N 0 1 405.476 1.083 20 30 HDEDMN CCOCCO[C@H](C)C(=O)C(C#N)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000729890212 1076380904 /nfs/dbraw/zinc/38/09/04/1076380904.db2.gz ZCKLYPWNUDTNNH-VXGBXAGGSA-N 0 1 407.379 1.455 20 30 HDEDMN COc1nc(N2CCC3(CC2)COCCN(CC(=O)N(C)C)C3)c(F)cc1C#N ZINC001164874405 721284002 /nfs/dbraw/zinc/28/40/02/721284002.db2.gz QLYRADUAIQUOMX-UHFFFAOYSA-N 0 1 405.474 1.108 20 30 HDEDMN C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CCN(Cc2n[nH]c(C)n2)CC1 ZINC000673742609 1073675599 /nfs/dbraw/zinc/67/55/99/1073675599.db2.gz KITDTRBRTSQDMU-UHFFFAOYSA-N 0 1 407.478 1.822 20 30 HDEDMN COCCN(C)CCNC(=O)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 ZINC000804083964 1075351389 /nfs/dbraw/zinc/35/13/89/1075351389.db2.gz JFCPIVWXMUTBQG-UHFFFAOYSA-N 0 1 400.504 1.597 20 30 HDEDMN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCC(c2cn[nH]c2C)CC1 ZINC000551726942 1075378369 /nfs/dbraw/zinc/37/83/69/1075378369.db2.gz JLAXCJWXSRXLPX-UHFFFAOYSA-N 0 1 418.461 1.824 20 30 HDEDMN COc1cccc([C@@H](CNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)N(C)C)c1 ZINC000540273661 1075492320 /nfs/dbraw/zinc/49/23/20/1075492320.db2.gz NOKMRMARVMAUKR-QGZVFWFLSA-N 0 1 412.494 1.876 20 30 HDEDMN C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H](c2ccccc2Cl)N2CCCC2)C1=O ZINC000676712080 1075657716 /nfs/dbraw/zinc/65/77/16/1075657716.db2.gz ZTZZNYCPUYZIHZ-MRXNPFEDSA-N 0 1 418.881 1.570 20 30 HDEDMN O=C(NCCNC(=O)C1N=CC=CC1=O)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000732439040 1075744386 /nfs/dbraw/zinc/74/43/86/1075744386.db2.gz DMQYXSBNGDVXQK-IJYGLTAASA-N 0 1 401.467 1.632 20 30 HDEDMN C[C@H](CN1CCN(C)CC1)NC(=O)C(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC000429475041 1075752296 /nfs/dbraw/zinc/75/22/96/1075752296.db2.gz YGRDPWDKGQJHOG-LJQANCHMSA-N 0 1 404.514 1.777 20 30 HDEDMN Cc1cc([C@@H](C#N)C(=O)CNC(=O)[C@H]2c3ccccc3C(=O)N2C2CC2)nc(C)n1 ZINC000732495524 1075768371 /nfs/dbraw/zinc/76/83/71/1075768371.db2.gz XSHQUMXMLGPXDY-YLJYHZDGSA-N 0 1 403.442 1.745 20 30 HDEDMN N#Cc1ncn(CCNc2ccc(S(=O)(=O)Nc3cc(F)cc(F)c3)cn2)n1 ZINC000561390288 1075826332 /nfs/dbraw/zinc/82/63/32/1075826332.db2.gz OIKZQAYRPXCBOI-UHFFFAOYSA-N 0 1 405.390 1.736 20 30 HDEDMN C#CCNC(=O)N(CCN1CCN(C)CC1)Cc1ccc(Br)cc1F ZINC000732701350 1075835307 /nfs/dbraw/zinc/83/53/07/1075835307.db2.gz QLBNNTBNIMCNGY-UHFFFAOYSA-N 0 1 411.319 1.980 20 30 HDEDMN C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H](c1nnc[nH]1)c1ccccc1 ZINC000543606218 1075852770 /nfs/dbraw/zinc/85/27/70/1075852770.db2.gz HSEVKZJQKFFNIT-GUYCJALGSA-N 0 1 410.459 1.249 20 30 HDEDMN COC(=O)C(C)(C)[C@@H]1CCCN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1 ZINC000611323543 1075901135 /nfs/dbraw/zinc/90/11/35/1075901135.db2.gz VXFVCXSATXAMLY-MRXNPFEDSA-N 0 1 417.510 1.415 20 30 HDEDMN C[C@H](NCC(=O)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1)c1cccc(C#N)c1 ZINC000611387769 1075923369 /nfs/dbraw/zinc/92/33/69/1075923369.db2.gz SONXCJCPGYKJOW-KFKAGJAMSA-N 0 1 405.520 1.404 20 30 HDEDMN C[C@@H](NCC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1)c1cccc(C#N)c1 ZINC000611388339 1075923521 /nfs/dbraw/zinc/92/35/21/1075923521.db2.gz FOFLUQMOWWXKKQ-QGZVFWFLSA-N 0 1 406.486 1.998 20 30 HDEDMN N#C[C@H](c1cccs1)N1CCN(C(=O)CN[C@@]2(CO)CCc3ccccc32)CC1 ZINC000611430963 1075930698 /nfs/dbraw/zinc/93/06/98/1075930698.db2.gz HVHOFTBACWAUNR-DENIHFKCSA-N 0 1 410.543 1.881 20 30 HDEDMN C=CCN1CCC(N2C(=O)N[C@@H]3CN(C(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)CC[C@@H]32)CC1 ZINC001079165537 1075966686 /nfs/dbraw/zinc/96/66/86/1075966686.db2.gz XOTCXOTWMKNAOU-SXJNSPEGSA-N 0 1 400.523 1.055 20 30 HDEDMN COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)NCc3ccc(OCC#N)cc3)cc2)[nH]1 ZINC000727677547 1076206532 /nfs/dbraw/zinc/20/65/32/1076206532.db2.gz FCHFGUSHSNMJKW-UHFFFAOYSA-N 0 1 420.425 1.713 20 30 HDEDMN COc1ccc(CN2CCCN(C(=O)CCNC(=O)C3N=CC=CC3=O)CC2)cc1 ZINC000733890217 1076251934 /nfs/dbraw/zinc/25/19/34/1076251934.db2.gz FKYYKENFBFKWNB-QURGRASLSA-N 0 1 412.490 1.646 20 30 HDEDMN CN1CCN(C[C@H](NC(=O)NCCNc2ccc(C#N)cn2)c2ccccc2)CC1 ZINC000727841695 1076266615 /nfs/dbraw/zinc/26/66/15/1076266615.db2.gz BTYWPDLDCDUCRC-FQEVSTJZSA-N 0 1 407.522 1.653 20 30 HDEDMN COc1ccc(S(=O)(=O)N2CCC(C(=O)C(C#N)C(=O)NC(C)C)CC2)cc1 ZINC000729888638 1076379892 /nfs/dbraw/zinc/37/98/92/1076379892.db2.gz MGJPTVBNKAXBRT-KRWDZBQOSA-N 0 1 407.492 1.329 20 30 HDEDMN C=CCn1c(=O)c2ccc(C(=O)N3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)cc2[n-]c1=S ZINC000730086707 1076440642 /nfs/dbraw/zinc/44/06/42/1076440642.db2.gz PLACUTPDOMFLJN-MSOLQXFVSA-N 0 1 414.531 1.542 20 30 HDEDMN N#CC(C(=O)CCCS(=O)(=O)c1ccc(Br)cc1)C(=O)NC1CC1 ZINC000731136117 1076737552 /nfs/dbraw/zinc/73/75/52/1076737552.db2.gz NLMKRVAIMTXBDT-CQSZACIVSA-N 0 1 413.293 1.990 20 30 HDEDMN CCOC(=O)c1cc(C)nc(N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)c1C#N ZINC001164740601 720662483 /nfs/dbraw/zinc/66/24/83/720662483.db2.gz RBZWUDDIZFETNP-HZPDHXFCSA-N 0 1 408.462 1.570 20 30 HDEDMN CN(C)C(=O)CN1CCOCC2(CCN(c3nc(Cl)c(C#N)cc3C#N)CC2)C1 ZINC001164869820 721272028 /nfs/dbraw/zinc/27/20/28/721272028.db2.gz OULXFPVNGBOFCJ-UHFFFAOYSA-N 0 1 416.913 1.485 20 30 HDEDMN CNS(=O)(=O)c1cc(NC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)ccc1O ZINC000509071677 1073456909 /nfs/dbraw/zinc/45/69/09/1073456909.db2.gz XZZCPRHFJMNRHA-CYBMUJFWSA-N 0 1 418.450 1.776 20 30 HDEDMN N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)Nc1cccc(NC(=O)C(N)=O)c1 ZINC000509396476 1075474785 /nfs/dbraw/zinc/47/47/85/1075474785.db2.gz KOGGYMZRFURVPZ-UHFFFAOYSA-N 0 1 412.349 1.802 20 30 HDEDMN Cc1nc(CN2CCN(C(=O)Nc3ccn(-c4cccc(F)c4C#N)n3)CC2)n[nH]1 ZINC000541798859 1075516501 /nfs/dbraw/zinc/51/65/01/1075516501.db2.gz IKKODFWFSXHIOA-UHFFFAOYSA-N 0 1 409.429 1.659 20 30 HDEDMN CNC(=O)CNC(=S)NN=Cc1cc(Br)cc(Br)c1O ZINC000731929112 1075574840 /nfs/dbraw/zinc/57/48/40/1075574840.db2.gz NEEGFXTXXOKEEP-UHFFFAOYSA-N 0 1 424.118 1.461 20 30 HDEDMN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CN=Nc1ccccc1S(C)(=O)=O ZINC000731934244 1075575576 /nfs/dbraw/zinc/57/55/76/1075575576.db2.gz WOHRHBUVELLCQM-CQSZACIVSA-N 0 1 410.521 1.709 20 30 HDEDMN CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000578888832 1075645372 /nfs/dbraw/zinc/64/53/72/1075645372.db2.gz SERSLGYVAXQNBY-IBGZPJMESA-N 0 1 423.521 1.208 20 30 HDEDMN N#CC(C(=O)c1ccnc(O[C@@H]2CCOC2)c1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000542653103 1075745801 /nfs/dbraw/zinc/74/58/01/1075745801.db2.gz ARKCZRPTWWGEBZ-HZPDHXFCSA-N 0 1 417.429 1.672 20 30 HDEDMN N#C[C@H](C(=O)c1ccnc(O[C@@H]2CCOC2)c1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000542653103 1075745807 /nfs/dbraw/zinc/74/58/07/1075745807.db2.gz ARKCZRPTWWGEBZ-HZPDHXFCSA-N 0 1 417.429 1.672 20 30 HDEDMN C[C@H](CC#N)N(C)S(=O)(=O)N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000509269943 1075781323 /nfs/dbraw/zinc/78/13/23/1075781323.db2.gz LIENRGGALAYXNL-MFKMUULPSA-N 0 1 402.402 1.981 20 30 HDEDMN N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)NC[C@H]2CCCCN2C2CC2)n1 ZINC000434559628 1075781359 /nfs/dbraw/zinc/78/13/59/1075781359.db2.gz QMDDZCQAEISNTA-OAHLLOKOSA-N 0 1 410.453 1.955 20 30 HDEDMN CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)NC2CCN(Cc3ccncc3)CC2)n1 ZINC000540278297 1075783566 /nfs/dbraw/zinc/78/35/66/1075783566.db2.gz LOVXPARODRIGTM-UHFFFAOYSA-N 0 1 409.494 1.624 20 30 HDEDMN COc1cccc([C@H](C#N)NC(=O)Cc2c(C)nc(-c3ncccn3)[nH]c2=O)c1OC ZINC000732763548 1075847185 /nfs/dbraw/zinc/84/71/85/1075847185.db2.gz JLNWJGQLZXVNRV-HNNXBMFYSA-N 0 1 420.429 1.888 20 30 HDEDMN COc1cnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C#N)nc3)cc2)nc1 ZINC000611127687 1075847326 /nfs/dbraw/zinc/84/73/26/1075847326.db2.gz UFHHLOXOHKWJNR-UHFFFAOYSA-N 0 1 410.415 1.805 20 30 HDEDMN N#Cc1ccc(OC2CCC(NC(=O)N3CCN([C@@H]4CCC[C@@H]4O)CC3)CC2)nc1 ZINC000611264834 1075888547 /nfs/dbraw/zinc/88/85/47/1075888547.db2.gz WHGRNOHQIQXCPF-TUNPWDSISA-N 0 1 413.522 1.884 20 30 HDEDMN COC(=O)C[C@@H]1CCCCN1CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000611429395 1075928953 /nfs/dbraw/zinc/92/89/53/1075928953.db2.gz LHSPZXWHKWWTMA-VQTJNVASSA-N 0 1 416.497 1.952 20 30 HDEDMN N#CC(C(=O)CCN1CCCC1=O)c1nnc(N2CCOCC2)n1-c1ccccc1 ZINC000727954420 1076296612 /nfs/dbraw/zinc/29/66/12/1076296612.db2.gz BKELHMUGGICXON-QGZVFWFLSA-N 0 1 408.462 1.293 20 30 HDEDMN C=CCn1c(=O)c2ccc(C(=O)N3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)cc2[n-]c1=S ZINC000730086708 1076440672 /nfs/dbraw/zinc/44/06/72/1076440672.db2.gz PLACUTPDOMFLJN-QZTJIDSGSA-N 0 1 414.531 1.542 20 30 HDEDMN C[C@H]1CC(O)C[C@H](C)N1CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000429313949 1074694114 /nfs/dbraw/zinc/69/41/14/1074694114.db2.gz DXCIEBOXUDRPGZ-GJZGRUSLSA-N 0 1 413.478 1.689 20 30 HDEDMN CCN1CCN([C@H]2CCN(C(=O)Nc3nn(-c4ccc(C#N)cn4)cc3C)C2)CC1 ZINC000462011407 1075234371 /nfs/dbraw/zinc/23/43/71/1075234371.db2.gz QSXSPFLJZZPVJT-SFHVURJKSA-N 0 1 408.510 1.691 20 30 HDEDMN CN(C)c1ccc(NC(=S)NN=C2CCN(CCN3CCOCC3)CC2)cc1 ZINC000731558321 1075382076 /nfs/dbraw/zinc/38/20/76/1075382076.db2.gz RNDWNVSRANIKJZ-UHFFFAOYSA-N 0 1 404.584 1.823 20 30 HDEDMN COc1ccc([C@@H](CN(C)C)NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)cc1 ZINC000551772948 1075453663 /nfs/dbraw/zinc/45/36/63/1075453663.db2.gz UUBXJXIASWSGAW-QGZVFWFLSA-N 0 1 412.494 1.876 20 30 HDEDMN CCOC(=O)CON=C(C(=O)N(C)Cc1nc(-c2cccs2)no1)c1cc[nH]n1 ZINC000804139157 1075539964 /nfs/dbraw/zinc/53/99/64/1075539964.db2.gz LYYPDWWBYPURQZ-UHFFFAOYSA-N 0 1 418.435 1.464 20 30 HDEDMN CN(CCCc1[nH]nc(N)c1C#N)CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000535545832 1075660126 /nfs/dbraw/zinc/66/01/26/1075660126.db2.gz OJKSPEUYAMKTKN-GOSISDBHSA-N 0 1 424.505 1.863 20 30 HDEDMN CN(CCCc1[nH]nc(N)c1C#N)CC(=O)N[C@@H](c1nccs1)c1ccccc1 ZINC000551462635 1075660617 /nfs/dbraw/zinc/66/06/17/1075660617.db2.gz MVPNPLKNECRROH-GOSISDBHSA-N 0 1 409.519 2.090 20 30 HDEDMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)NCCNC(=O)C1N=CC=CC1=O ZINC000732234001 1075685140 /nfs/dbraw/zinc/68/51/40/1075685140.db2.gz PBOFYJZMVRPJMA-VXPUYCOJSA-N 0 1 412.494 1.395 20 30 HDEDMN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC000541143494 1075700657 /nfs/dbraw/zinc/70/06/57/1075700657.db2.gz MENLVEOSJPLLGF-MLGOLLRUSA-N 0 1 412.881 1.935 20 30 HDEDMN O=C(NCCNC(=O)C1N=CC=CC1=O)NC[C@H](c1ccco1)N1CCCCC1 ZINC000732439039 1075744409 /nfs/dbraw/zinc/74/44/09/1075744409.db2.gz DMQYXSBNGDVXQK-AMGRQBIBSA-N 0 1 401.467 1.632 20 30 HDEDMN CN(C)[C@@H](CNC(=O)C(=O)Nc1ccn(CCC#N)n1)c1cccc(C(F)(F)F)c1 ZINC000469645740 1075748036 /nfs/dbraw/zinc/74/80/36/1075748036.db2.gz UZKLLDSYQKHFPU-HNNXBMFYSA-N 0 1 422.411 2.173 20 30 HDEDMN CN1CCN(C)[C@@H](CNC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)C1 ZINC000732484438 1075762584 /nfs/dbraw/zinc/76/25/84/1075762584.db2.gz DFLSPXHXCSXOOR-SFTDATJTSA-N 0 1 405.502 1.643 20 30 HDEDMN CN1CCN(C)[C@H](CNC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)C1 ZINC000732484436 1075762657 /nfs/dbraw/zinc/76/26/57/1075762657.db2.gz DFLSPXHXCSXOOR-NHCUHLMSSA-N 0 1 405.502 1.643 20 30 HDEDMN O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NCCN1CCSCC1 ZINC000732777611 1075854633 /nfs/dbraw/zinc/85/46/33/1075854633.db2.gz QPRWKTYCNPQGSC-UHFFFAOYSA-N 0 1 424.592 1.451 20 30 HDEDMN CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC(CC(=O)NC3CCCC3)CC2)CC1 ZINC000611371270 1075915587 /nfs/dbraw/zinc/91/55/87/1075915587.db2.gz YDEPVOIHWBIGAI-NRFANRHFSA-N 0 1 417.598 1.840 20 30 HDEDMN N#CC(C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)c1nc(-c2ccncc2)cs1 ZINC000734084156 1076305546 /nfs/dbraw/zinc/30/55/46/1076305546.db2.gz XCUOPJZFONZHMR-CQSZACIVSA-N 0 1 411.468 1.879 20 30 HDEDMN COc1ccccc1NC(=O)C(C#N)C(=O)CSc1nnnn1CC(F)(F)F ZINC000730071383 1076436872 /nfs/dbraw/zinc/43/68/72/1076436872.db2.gz LMHAQMSRIGGARI-VIFPVBQESA-N 0 1 414.369 1.684 20 30 HDEDMN C=CCn1c(=O)c2ccc(C(=O)N3CC[NH+]([C@H]4CCC[C@H]4O)CC3)cc2[n-]c1=S ZINC000730086710 1076440609 /nfs/dbraw/zinc/44/06/09/1076440609.db2.gz PLACUTPDOMFLJN-ZWKOTPCHSA-N 0 1 414.531 1.542 20 30 HDEDMN C=CCOc1cc(C)nc(N2CCC3(CC2)COCCN(CC(=O)N(C)C)C3)n1 ZINC001164873595 721274205 /nfs/dbraw/zinc/27/42/05/721274205.db2.gz OXTWKSGQUXPRLV-UHFFFAOYSA-N 0 1 403.527 1.357 20 30 HDEDMN CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ncc([N+](=O)[O-])cc4C#N)C3)O2)CC1 ZINC001164887751 721405207 /nfs/dbraw/zinc/40/52/07/721405207.db2.gz NFMWYVGCBZBZKV-ICSRJNTNSA-N 0 1 400.483 1.627 20 30 HDEDMN CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4nc(C#N)ccc4[N+](=O)[O-])C3)O2)CC1 ZINC001164883758 721409636 /nfs/dbraw/zinc/40/96/36/721409636.db2.gz CADCUEHRGYXSOC-FXAWDEMLSA-N 0 1 400.483 1.627 20 30 HDEDMN Cc1nc(C#N)c(N2CCN(C(=O)CN[C@H](C)[C@@H]3OCCc4sccc43)CC2)o1 ZINC000429188920 1074017624 /nfs/dbraw/zinc/01/76/24/1074017624.db2.gz JPGUVGWKHAPVDG-YJYMSZOUSA-N 0 1 415.519 1.857 20 30 HDEDMN CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCC(CCCN3CCOCC3)CC2)n1 ZINC000504974727 1074701261 /nfs/dbraw/zinc/70/12/61/1074701261.db2.gz JRHPNUOKTMSARL-UHFFFAOYSA-N 0 1 416.526 1.625 20 30 HDEDMN Cc1cc(NC(=O)C(=O)N2CCC[C@@H]2c2n[nH]c(-c3ccccc3)n2)nn1CCC#N ZINC000442243051 1074709895 /nfs/dbraw/zinc/70/98/95/1074709895.db2.gz OQMHXBIMUBCDPT-MRXNPFEDSA-N 0 1 418.461 2.193 20 30 HDEDMN Cc1cc(NC(=O)C(=O)N2CCC[C@@H]2c2nc(-c3ccccc3)n[nH]2)nn1CCC#N ZINC000442243051 1074709904 /nfs/dbraw/zinc/70/99/04/1074709904.db2.gz OQMHXBIMUBCDPT-MRXNPFEDSA-N 0 1 418.461 2.193 20 30 HDEDMN Cc1cc(NC(=O)NCC2CCN(CC(=O)NC(C)(C)C)CC2)nn1CCC#N ZINC000540814429 1075172126 /nfs/dbraw/zinc/17/21/26/1075172126.db2.gz UKSVJFAJAHHFST-UHFFFAOYSA-N 0 1 403.531 1.853 20 30 HDEDMN CCN(C(=O)C(=O)Nc1nn(C(C)C)cc1C#N)[C@H]1CCN(Cc2ccccc2)C1 ZINC000446845484 1075185347 /nfs/dbraw/zinc/18/53/47/1075185347.db2.gz NBNJOFXHAHEBNK-IBGZPJMESA-N 0 1 408.506 2.397 20 30 HDEDMN COc1ccc(NC(=S)NN=C2CCN(CCN3CCOCC3)CC2)cc1F ZINC000731557995 1075382068 /nfs/dbraw/zinc/38/20/68/1075382068.db2.gz GZHNJJKNOLOGAB-UHFFFAOYSA-N 0 1 409.531 1.905 20 30 HDEDMN COc1ccnc(N2CCN(C(=O)Nc3nn(-c4ccc(C#N)cn4)cc3C)CC2)c1 ZINC000462022663 1075518018 /nfs/dbraw/zinc/51/80/18/1075518018.db2.gz KOOYODVUKJQTAL-UHFFFAOYSA-N 0 1 418.461 2.205 20 30 HDEDMN Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CN=Nc1ccccc1S(C)(=O)=O ZINC000731934243 1075575599 /nfs/dbraw/zinc/57/55/99/1075575599.db2.gz WOHRHBUVELLCQM-AWEZNQCLSA-N 0 1 410.521 1.709 20 30 HDEDMN C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@@H](C)CN1CCN(C)CC1 ZINC000429473767 1075728239 /nfs/dbraw/zinc/72/82/39/1075728239.db2.gz WAKYPOFQLMSPKD-HOTGVXAUSA-N 0 1 403.552 1.629 20 30 HDEDMN N#CC(C(=O)c1cncc(N2CCOCC2)c1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000534584772 1075745047 /nfs/dbraw/zinc/74/50/47/1075745047.db2.gz UTMWNBWMEZTNJH-KRWDZBQOSA-N 0 1 416.445 1.341 20 30 HDEDMN N#C[C@@H](C(=O)c1cncc(N2CCOCC2)c1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000534584772 1075745053 /nfs/dbraw/zinc/74/50/53/1075745053.db2.gz UTMWNBWMEZTNJH-KRWDZBQOSA-N 0 1 416.445 1.341 20 30 HDEDMN N#CC(C(=O)c1ccnc(O[C@H]2CCOC2)c1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000542653106 1075745669 /nfs/dbraw/zinc/74/56/69/1075745669.db2.gz ARKCZRPTWWGEBZ-JKSUJKDBSA-N 0 1 417.429 1.672 20 30 HDEDMN N#C[C@H](C(=O)c1ccnc(O[C@H]2CCOC2)c1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000542653106 1075745671 /nfs/dbraw/zinc/74/56/71/1075745671.db2.gz ARKCZRPTWWGEBZ-JKSUJKDBSA-N 0 1 417.429 1.672 20 30 HDEDMN C[C@@H](CN1CCN(C)CC1)NC(=O)C(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC000429475039 1075752310 /nfs/dbraw/zinc/75/23/10/1075752310.db2.gz YGRDPWDKGQJHOG-IBGZPJMESA-N 0 1 404.514 1.777 20 30 HDEDMN CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)NCc2nc(-c3ccc(F)cc3)n[nH]2)n1 ZINC000538078730 1075784590 /nfs/dbraw/zinc/78/45/90/1075784590.db2.gz SPPXBNYLRXBDNO-UHFFFAOYSA-N 0 1 410.413 1.689 20 30 HDEDMN CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)NCc2n[nH]c(-c3ccc(F)cc3)n2)n1 ZINC000538078730 1075784595 /nfs/dbraw/zinc/78/45/95/1075784595.db2.gz SPPXBNYLRXBDNO-UHFFFAOYSA-N 0 1 410.413 1.689 20 30 HDEDMN N#Cc1ccc(NCC(=O)N[C@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)nc1 ZINC000438417157 1075814338 /nfs/dbraw/zinc/81/43/38/1075814338.db2.gz DHJHZBNRAXQMRE-INIZCTEOSA-N 0 1 401.352 2.408 20 30 HDEDMN COCCN1CC[C@H](NC(=O)C(=O)Nc2c(C)c(C)nn2-c2ccc(C#N)cc2)C1 ZINC000611189105 1075872204 /nfs/dbraw/zinc/87/22/04/1075872204.db2.gz WCZRXVBCOOXZMZ-KRWDZBQOSA-N 0 1 410.478 1.136 20 30 HDEDMN Cc1nc(CN2CCN(CC(=O)N(CCC#N)c3cccc(Cl)c3)CC2)n[nH]1 ZINC000611431321 1075930395 /nfs/dbraw/zinc/93/03/95/1075930395.db2.gz PARGUKVRAGGRLN-UHFFFAOYSA-N 0 1 401.902 1.831 20 30 HDEDMN CC[C@H](C#N)Oc1cc(CNC(=O)CN(C)c2ncnc3[nH]cnc32)ccc1OC ZINC000733230076 1076017235 /nfs/dbraw/zinc/01/72/35/1076017235.db2.gz KUDYFZZUANDJNI-CQSZACIVSA-N 0 1 409.450 1.795 20 30 HDEDMN C#CCOc1ccc(CN[C@H](C)C(=O)Nc2cccc(S(=O)(=O)NC)c2)cc1 ZINC000733328124 1076044948 /nfs/dbraw/zinc/04/49/48/1076044948.db2.gz IALATMPXTOGYDL-OAHLLOKOSA-N 0 1 401.488 1.724 20 30 HDEDMN CCOC(=O)C1C(CN2CCO[C@@H](C#N)C2)=NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000730062739 1076417450 /nfs/dbraw/zinc/41/74/50/1076417450.db2.gz RADMTZGOXQEJSA-MAUKXSAKSA-N 0 1 400.435 1.091 20 30 HDEDMN C#CCOc1cccc(NC(=O)C(=O)NCc2ccc(N3CCN(C)CC3)nc2)c1 ZINC000731123507 1076727169 /nfs/dbraw/zinc/72/71/69/1076727169.db2.gz VKXUODNPWZGSMI-UHFFFAOYSA-N 0 1 407.474 1.100 20 30 HDEDMN N#CC(C(=O)CCCS(=O)(=O)c1ccc(Br)cc1)C(=O)NC1CC1 ZINC000731136115 1076737593 /nfs/dbraw/zinc/73/75/93/1076737593.db2.gz NLMKRVAIMTXBDT-AWEZNQCLSA-N 0 1 413.293 1.990 20 30 HDEDMN CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nc(C#N)c(C#N)nc4Cl)C3)O2)CC1 ZINC001164884712 721411887 /nfs/dbraw/zinc/41/18/87/721411887.db2.gz FKBHBJTXCFIAOW-YWZLYKJASA-N 0 1 415.929 1.639 20 30 HDEDMN C=CCNC(=O)c1cccnc1N1CC[C@@]2(C1)CCC[C@H](CN1CCN(C)CC1)O2 ZINC001164890712 721433784 /nfs/dbraw/zinc/43/37/84/721433784.db2.gz DKOLSECHLOVVSX-AUSIDOKSSA-N 0 1 413.566 1.763 20 30 HDEDMN CCc1nc(C#N)c(C#N)nc1N1CC[C@]2(C1)CCC[C@@H](CN1CCN(C)CC1)O2 ZINC001164894933 721446244 /nfs/dbraw/zinc/44/62/44/721446244.db2.gz NOGUXVWRSNYOQI-JTSKRJEESA-N 0 1 409.538 1.548 20 30 HDEDMN CCOC(=O)c1cc(C)nc(N2CCCC23CCN(CC(=O)N(C)C)CC3)c1C#N ZINC001165010631 721734194 /nfs/dbraw/zinc/73/41/94/721734194.db2.gz HUMUKWXSJGFBKS-UHFFFAOYSA-N 0 1 413.522 1.961 20 30 HDEDMN COC(=O)c1cc(C#N)cnc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164972195 722152753 /nfs/dbraw/zinc/15/27/53/722152753.db2.gz GOTOFUQQIRIQII-AZUAARDMSA-N 0 1 407.474 1.862 20 30 HDEDMN N#C[C@@H](c1nc2ccccc2nc1-n1cnc(CN)n1)S(=O)(=O)c1ccc(F)cc1 ZINC001168750118 1073986304 /nfs/dbraw/zinc/98/63/04/1073986304.db2.gz KDTKTCNSVSLICP-INIZCTEOSA-N 0 1 423.433 1.847 20 30 HDEDMN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)Nc1cnn(-c2ccncc2)c1 ZINC000613105468 1075384637 /nfs/dbraw/zinc/38/46/37/1075384637.db2.gz QGHKHMLHLKOBGP-UHFFFAOYSA-N 0 1 413.401 1.605 20 30 HDEDMN C=CCOC[C@@H]1NC(=O)N(CCCN2CCN(c3ccc(OC)cc3)CC2)C1=O ZINC000804143804 1075541829 /nfs/dbraw/zinc/54/18/29/1075541829.db2.gz OLBGCGYJWBPRRK-IBGZPJMESA-N 0 1 402.495 1.330 20 30 HDEDMN C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H](c2ccccc2Cl)N2CCCC2)C1=O ZINC000676712078 1075657975 /nfs/dbraw/zinc/65/79/75/1075657975.db2.gz ZTZZNYCPUYZIHZ-INIZCTEOSA-N 0 1 418.881 1.570 20 30 HDEDMN CN(CCCc1[nH]nc(N)c1C#N)CC(=O)NCC1(c2ccccc2)CCOCC1 ZINC000536338043 1075660142 /nfs/dbraw/zinc/66/01/42/1075660142.db2.gz BAKUFMPVYNPPRS-UHFFFAOYSA-N 0 1 410.522 1.593 20 30 HDEDMN Cc1cccc(CN2CCN(C(=O)CN(C)CCCc3[nH]nc(N)c3C#N)CC2)c1 ZINC000534100686 1075714393 /nfs/dbraw/zinc/71/43/93/1075714393.db2.gz SBGYPMJYOKGLSY-UHFFFAOYSA-N 0 1 409.538 1.381 20 30 HDEDMN Cc1cc(C)c(NC(=O)CNC(=O)CN(C)CCCc2[nH]nc(N)c2C#N)c(C)c1 ZINC000534834135 1075736497 /nfs/dbraw/zinc/73/64/97/1075736497.db2.gz YLKWILKWBMGFTE-UHFFFAOYSA-N 0 1 411.510 1.408 20 30 HDEDMN CC1(C)CN(C(=O)NCCNC(=O)C2N=CC=CC2=O)CCN1Cc1ccccc1 ZINC000732466665 1075754797 /nfs/dbraw/zinc/75/47/97/1075754797.db2.gz QOIMMWIULPNCDT-VXPUYCOJSA-N 0 1 411.506 1.819 20 30 HDEDMN CCC(=O)NCc1cc(S(=O)(=O)Nc2cc(C)nn2CCC#N)ccc1OC ZINC000611028136 1075813804 /nfs/dbraw/zinc/81/38/04/1075813804.db2.gz LAYFTTIWJMIUHS-UHFFFAOYSA-N 0 1 405.480 1.941 20 30 HDEDMN COC1CCN(CCNC(=O)C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)CC1 ZINC000611057137 1075825647 /nfs/dbraw/zinc/82/56/47/1075825647.db2.gz IAFWBJRNEXTBIW-UHFFFAOYSA-N 0 1 413.503 1.847 20 30 HDEDMN N#Cc1ccc(OC2CCC(NC(=O)N3CCN([C@@H]4CCC[C@H]4O)CC3)CC2)nc1 ZINC000611264833 1075888558 /nfs/dbraw/zinc/88/85/58/1075888558.db2.gz WHGRNOHQIQXCPF-NTFDOXNWSA-N 0 1 413.522 1.884 20 30 HDEDMN N#Cc1cccc(OCCCCC(=O)C(C#N)C(=O)N2CCS(=O)(=O)CC2)c1 ZINC000732909779 1075906923 /nfs/dbraw/zinc/90/69/23/1075906923.db2.gz GMAYICOEHINZQY-KRWDZBQOSA-N 0 1 403.460 1.073 20 30 HDEDMN C[C@H](NCC(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1)c1cccc(C#N)c1 ZINC000611387772 1075923487 /nfs/dbraw/zinc/92/34/87/1075923487.db2.gz SONXCJCPGYKJOW-ZYSHUDEJSA-N 0 1 405.520 1.404 20 30 HDEDMN COC(=O)C[C@H]1CCCCN1CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 ZINC000611429356 1075929252 /nfs/dbraw/zinc/92/92/52/1075929252.db2.gz COXSTXGOPWFMQY-SJORKVTESA-N 0 1 404.536 1.875 20 30 HDEDMN C=CCc1cc(CNCC(=O)Nc2cccc(S(=O)(=O)NC)c2)cc(OC)c1O ZINC000733327921 1076044993 /nfs/dbraw/zinc/04/49/93/1076044993.db2.gz GYWGZTZOBFRLLS-UHFFFAOYSA-N 0 1 419.503 1.766 20 30 HDEDMN O=C(CCNC(=O)C1N=CC=CC1=O)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000733888621 1076250346 /nfs/dbraw/zinc/25/03/46/1076250346.db2.gz BADOPBKQRQBQFC-MRCUWXFGSA-N 0 1 400.454 1.823 20 30 HDEDMN C#CCNC(=O)C1CCN(C(=O)N[C@H](CN2CCN(C)CC2)c2ccccc2)CC1 ZINC000727946427 1076293236 /nfs/dbraw/zinc/29/32/36/1076293236.db2.gz ZFGHEAOYFVBTKK-OAQYLSRUSA-N 0 1 411.550 1.146 20 30 HDEDMN CN1CCN(Cc2cccc(NC(=O)C(=O)NCc3ccc(OCC#N)cc3)c2)CC1 ZINC000727947688 1076293406 /nfs/dbraw/zinc/29/34/06/1076293406.db2.gz PLALPTJPAWAUEJ-UHFFFAOYSA-N 0 1 421.501 1.591 20 30 HDEDMN CCOC(=O)C1C(COC(=O)c2ccc(C#N)cn2)=NC(=O)N[C@@H]1c1ccccc1 ZINC000730891609 1076685800 /nfs/dbraw/zinc/68/58/00/1076685800.db2.gz ZMKVXJSNWGCSTE-GOSISDBHSA-N 0 1 406.398 1.981 20 30 HDEDMN CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4nc(C#N)ccc4[N+](=O)[O-])C3)O2)CC1 ZINC001164883761 721409342 /nfs/dbraw/zinc/40/93/42/721409342.db2.gz CADCUEHRGYXSOC-XLIONFOSSA-N 0 1 400.483 1.627 20 30 HDEDMN COc1nc(N2CC[C@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)c(F)cc1C#N ZINC001164888833 721430730 /nfs/dbraw/zinc/43/07/30/721430730.db2.gz BBFDIFIKGHYHPY-UTKZUKDTSA-N 0 1 403.502 1.866 20 30 HDEDMN Cc1cc(NC(=O)C(=O)Nc2ccccc2CN2CCSCC2)nn1CCC#N ZINC000582294144 1074793279 /nfs/dbraw/zinc/79/32/79/1074793279.db2.gz QOAOCESUDNOLAP-UHFFFAOYSA-N 0 1 412.519 2.231 20 30 HDEDMN C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000509366221 1075266221 /nfs/dbraw/zinc/26/62/21/1075266221.db2.gz ROXONFJIWHEPEB-RBUKOAKNSA-N 0 1 420.583 1.394 20 30 HDEDMN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N1CCC(N2CCO[C@@H](C)C2)CC1 ZINC000462095879 1075385055 /nfs/dbraw/zinc/38/50/55/1075385055.db2.gz BEFJXRMMDZBSOG-INIZCTEOSA-N 0 1 409.494 2.164 20 30 HDEDMN CC(=NNC(=S)NCC(N)=O)c1cc(Br)cc(Br)c1O ZINC000731929173 1075574866 /nfs/dbraw/zinc/57/48/66/1075574866.db2.gz ZFFDGYIQMVBZPN-UHFFFAOYSA-N 0 1 424.118 1.591 20 30 HDEDMN Cc1cccc(N2CCN(CCCCNS(=O)(=O)N(C)[C@H](C)CC#N)CC2)c1 ZINC000509418729 1075575848 /nfs/dbraw/zinc/57/58/48/1075575848.db2.gz UIODECAZUWFMPW-LJQANCHMSA-N 0 1 407.584 1.966 20 30 HDEDMN CCN1CCN(c2ccccc2NC(=O)NCCNC(=O)C2N=CC=CC2=O)CC1 ZINC000732234016 1075685134 /nfs/dbraw/zinc/68/51/34/1075685134.db2.gz PUUFATBQOBTCOK-FMQUCBEESA-N 0 1 412.494 1.476 20 30 HDEDMN C[C@H](CN1CCN(C)CC1)NC(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000429477342 1075746014 /nfs/dbraw/zinc/74/60/14/1075746014.db2.gz PVUDNEUPSXZCNE-HZPDHXFCSA-N 0 1 403.552 1.771 20 30 HDEDMN Cc1cc([C@H](C#N)C(=O)CNC(=O)[C@@H]2c3ccccc3C(=O)N2C2CC2)nc(C)n1 ZINC000732495520 1075768350 /nfs/dbraw/zinc/76/83/50/1075768350.db2.gz XSHQUMXMLGPXDY-PXNSSMCTSA-N 0 1 403.442 1.745 20 30 HDEDMN N#Cc1ccc(C2=CCN(C(=O)N[C@H]3CCN(CCN4CCOCC4)C3)CC2)cc1 ZINC000611241122 1075882197 /nfs/dbraw/zinc/88/21/97/1075882197.db2.gz VXGOACWWHDIROP-QFIPXVFZSA-N 0 1 409.534 1.763 20 30 HDEDMN CCCCn1c(N)c(N(CC)C(=O)CN[C@H](C)c2cccc(C#N)c2)c(=O)[nH]c1=O ZINC000611387910 1075923482 /nfs/dbraw/zinc/92/34/82/1075923482.db2.gz VIUVVDFHSMATJH-CQSZACIVSA-N 0 1 412.494 1.907 20 30 HDEDMN COC(=O)CCN(CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)C(C)C ZINC000611429862 1075930049 /nfs/dbraw/zinc/93/00/49/1075930049.db2.gz IHRJWQULZQDQMC-IBGZPJMESA-N 0 1 404.486 1.808 20 30 HDEDMN COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CCN(Cc2n[nH]c(C)n2)CC1 ZINC000611431075 1075930755 /nfs/dbraw/zinc/93/07/55/1075930755.db2.gz MGZDHSTWIRRPLC-INIZCTEOSA-N 0 1 411.510 1.575 20 30 HDEDMN O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccn(-c2ccncc2)n1 ZINC000733786399 1076205858 /nfs/dbraw/zinc/20/58/58/1076205858.db2.gz UJBLEZJGSCEKRP-UHFFFAOYSA-N 0 1 410.459 1.725 20 30 HDEDMN N#Cc1ccc(OCC(=O)[N-]S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000733858565 1076234162 /nfs/dbraw/zinc/23/41/62/1076234162.db2.gz JNYQTWYMZNYRKV-UHFFFAOYSA-N 0 1 414.487 1.116 20 30 HDEDMN CN1CCN(C[C@@H](NC(=O)NCCNc2ncccc2C#N)c2ccccc2)CC1 ZINC000727940006 1076291827 /nfs/dbraw/zinc/29/18/27/1076291827.db2.gz ADKBZRAQHRMUHU-HXUWFJFHSA-N 0 1 407.522 1.653 20 30 HDEDMN CCOCCO[C@H](C)C(=O)C(C#N)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000729890209 1076380715 /nfs/dbraw/zinc/38/07/15/1076380715.db2.gz ZCKLYPWNUDTNNH-NEPJUHHUSA-N 0 1 407.379 1.455 20 30 HDEDMN C#CCOc1ccc(NC(=O)C(=O)NCc2ccnc(N3CCN(C)CC3)c2)cc1 ZINC000731123197 1076727199 /nfs/dbraw/zinc/72/71/99/1076727199.db2.gz JQZCPWFXFRYHGZ-UHFFFAOYSA-N 0 1 407.474 1.100 20 30 HDEDMN CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4ncc([N+](=O)[O-])cc4C#N)C3)O2)CC1 ZINC001164887752 721405071 /nfs/dbraw/zinc/40/50/71/721405071.db2.gz NFMWYVGCBZBZKV-QUCCMNQESA-N 0 1 400.483 1.627 20 30 HDEDMN COc1nc(N2CC[C@]3(C2)CCC[C@@H](CN2CCN(C)CC2)O3)c(F)cc1C#N ZINC001164888835 721430951 /nfs/dbraw/zinc/43/09/51/721430951.db2.gz BBFDIFIKGHYHPY-UWJYYQICSA-N 0 1 403.502 1.866 20 30 HDEDMN Cc1nc(C#N)c(N2CCN(C(=O)CN[C@@H](C)[C@@H]3OCCc4sccc43)CC2)o1 ZINC000429188918 1074017232 /nfs/dbraw/zinc/01/72/32/1074017232.db2.gz JPGUVGWKHAPVDG-DJJJIMSYSA-N 0 1 415.519 1.857 20 30 HDEDMN CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCC[C@@H]2c2n[nH]c(-c3ccccc3)n2)n1 ZINC000442250694 1074701886 /nfs/dbraw/zinc/70/18/86/1074701886.db2.gz LSVHHKSHRUMPEM-MRXNPFEDSA-N 0 1 418.461 2.423 20 30 HDEDMN CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCC[C@@H]2c2nc(-c3ccccc3)n[nH]2)n1 ZINC000442250694 1074701895 /nfs/dbraw/zinc/70/18/95/1074701895.db2.gz LSVHHKSHRUMPEM-MRXNPFEDSA-N 0 1 418.461 2.423 20 30 HDEDMN Cc1c(C(=O)C(C#N)C(=O)Nc2ccccn2)nnn1-c1ccc2c(c1)OCCO2 ZINC000731546790 1075386314 /nfs/dbraw/zinc/38/63/14/1075386314.db2.gz SMJHNRSQBMTGTO-AWEZNQCLSA-N 0 1 404.386 1.703 20 30 HDEDMN CN(C(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N)[C@H]1CCN(Cc2ccccc2)C1 ZINC000446857703 1075584026 /nfs/dbraw/zinc/58/40/26/1075584026.db2.gz WTBMZEZBQWHSMN-SFHVURJKSA-N 0 1 408.506 2.181 20 30 HDEDMN CCN(CC)C(=O)c1ccc(NC(=O)CN(C)CCCc2[nH]nc(N)c2C#N)cc1 ZINC000536342593 1075617999 /nfs/dbraw/zinc/61/79/99/1075617999.db2.gz ARCNVBWLCKPSLX-UHFFFAOYSA-N 0 1 411.510 1.849 20 30 HDEDMN CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000551076104 1075647314 /nfs/dbraw/zinc/64/73/14/1075647314.db2.gz GNVJYWGLLOHVIU-LJQANCHMSA-N 0 1 423.521 1.208 20 30 HDEDMN O=C(NCCNC(=O)C1N=CC=CC1=O)c1n[nH]c2ccc(Br)cc21 ZINC000732153897 1075652310 /nfs/dbraw/zinc/65/23/10/1075652310.db2.gz LYRGXBMXIUSWBY-JQIJEIRASA-N 0 1 404.224 1.582 20 30 HDEDMN CN(CCCc1[nH]nc(N)c1C#N)CC(=O)Nc1cc(Cl)ccc1-n1cncn1 ZINC000536344414 1075660547 /nfs/dbraw/zinc/66/05/47/1075660547.db2.gz JLUPPGGXHACZPW-UHFFFAOYSA-N 0 1 413.873 1.601 20 30 HDEDMN N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CSc2nc(N)cc(N)n2)CC1 ZINC000444402534 1075745355 /nfs/dbraw/zinc/74/53/55/1075745355.db2.gz JLCYMFWDWGCGMG-AWEZNQCLSA-N 0 1 401.471 1.281 20 30 HDEDMN N#Cc1ccc(-n2ccc(NC(=O)C(=O)N[C@H]3CCc4nc[nH]c4C3)n2)c(Cl)c1 ZINC000589438372 1075796614 /nfs/dbraw/zinc/79/66/14/1075796614.db2.gz LOLCKKHUOLDOGF-LBPRGKRZSA-N 0 1 409.837 1.733 20 30 HDEDMN C[C@H]1CN(C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CCN1CC(C)(C)O ZINC000444920955 1075806064 /nfs/dbraw/zinc/80/60/64/1075806064.db2.gz AWYGHYXCQOJFHS-AWEZNQCLSA-N 0 1 400.458 2.192 20 30 HDEDMN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 ZINC000543930408 1075808282 /nfs/dbraw/zinc/80/82/82/1075808282.db2.gz LBOKQUQVZQMTDS-LRDDRELGSA-N 0 1 412.881 1.935 20 30 HDEDMN CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)N(CCC#N)CCOC ZINC000611182707 1075868922 /nfs/dbraw/zinc/86/89/22/1075868922.db2.gz RCBSFCLXHMWZHE-UHFFFAOYSA-N 0 1 405.498 1.008 20 30 HDEDMN Cc1cc(NC(=O)CN[C@@H](C)c2cccc(C#N)c2)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000611387237 1075923348 /nfs/dbraw/zinc/92/33/48/1075923348.db2.gz IIJIHUYICMDKTK-YOEHRIQHSA-N 0 1 401.492 1.712 20 30 HDEDMN COC(=O)C[C@H]1CCCCN1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 ZINC000611429354 1075929409 /nfs/dbraw/zinc/92/94/09/1075929409.db2.gz COXSTXGOPWFMQY-IAGOWNOFSA-N 0 1 404.536 1.875 20 30 HDEDMN CCOc1ccc(N(CCC#N)C(=O)CN2CCN(Cc3n[nH]c(C)n3)CC2)cc1 ZINC000611431190 1075930434 /nfs/dbraw/zinc/93/04/34/1075930434.db2.gz YIQGEHNHVLGDPG-UHFFFAOYSA-N 0 1 411.510 1.576 20 30 HDEDMN CC(C)[C@H](NCC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)N1CCCC1 ZINC000611433027 1075931394 /nfs/dbraw/zinc/93/13/94/1075931394.db2.gz SYDYOYXFAHJTGR-PXNSSMCTSA-N 0 1 417.579 1.694 20 30 HDEDMN C#CCN1CCN(C(=O)c2cccc(S(=O)(=O)Nc3ccccc3OC)c2)CC1 ZINC000733162371 1075996052 /nfs/dbraw/zinc/99/60/52/1075996052.db2.gz MZWYKHYLKWYADJ-UHFFFAOYSA-N 0 1 413.499 1.887 20 30 HDEDMN N#CC(C(=O)COC[C@@H]1CCCO1)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000733679947 1076162907 /nfs/dbraw/zinc/16/29/07/1076162907.db2.gz QHAHJIGECUBBIL-NWDGAFQWSA-N 0 1 405.363 1.209 20 30 HDEDMN C=CCn1c(=O)c2ccc(C(=O)NC[C@@H](C)CN3CC[NH+](C)CC3)cc2[n-]c1=S ZINC000733975701 1076280112 /nfs/dbraw/zinc/28/01/12/1076280112.db2.gz JSBYNLZVGZQSMK-OAHLLOKOSA-N 0 1 415.563 1.485 20 30 HDEDMN N#Cc1cccc(CNC(=O)COC(=O)CCNC(=O)c2n[nH]c3ccccc32)c1 ZINC000728100230 1076330865 /nfs/dbraw/zinc/33/08/65/1076330865.db2.gz QRRJKFVFWKMFDC-UHFFFAOYSA-N 0 1 405.414 1.414 20 30 HDEDMN N#Cc1ccc(N2CC[C@H](OC(=O)CCNC(=O)c3n[nH]c4ccccc43)C2=O)cc1 ZINC000728102820 1076331693 /nfs/dbraw/zinc/33/16/93/1076331693.db2.gz QPTREEISEOKBRZ-SFHVURJKSA-N 0 1 417.425 1.903 20 30 HDEDMN COC(=O)N(C)CCCC(=O)C(C#N)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000729888341 1076379666 /nfs/dbraw/zinc/37/96/66/1076379666.db2.gz KEHBPKJAMVQSGV-NSHDSACASA-N 0 1 420.378 1.492 20 30 HDEDMN CCN1CCN(c2ccc(CNC(=O)CNC(=O)c3ccc(C#N)cc3)cc2F)CC1 ZINC000730286428 1076514925 /nfs/dbraw/zinc/51/49/25/1076514925.db2.gz NVXBRCROHYVRRW-UHFFFAOYSA-N 0 1 423.492 1.885 20 30 HDEDMN Cc1ccc(C)c(S(=O)(=O)Nc2ccccc2C(=O)OCC(=O)NCC#N)c1 ZINC000731234654 1076762115 /nfs/dbraw/zinc/76/21/15/1076762115.db2.gz GLOFADWTPTUIOK-UHFFFAOYSA-N 0 1 401.444 1.901 20 30 HDEDMN N#Cc1nc(Cl)c(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nc1C#N ZINC001164971410 722118281 /nfs/dbraw/zinc/11/82/81/722118281.db2.gz CJWZYKRZVKAVQB-CRAIPNDOSA-N 0 1 409.881 1.996 20 30 HDEDMN C[C@@H](CN1CCN(C)CC1)NC(=O)C(=O)Nc1cccc(C#Cc2cccs2)c1 ZINC000674295809 1074258465 /nfs/dbraw/zinc/25/84/65/1074258465.db2.gz VRZFHMDAPNBSPV-KRWDZBQOSA-N 0 1 410.543 1.839 20 30 HDEDMN CON(C)S(=O)(=O)c1cc(C(=O)NC2(C#N)CCN(C)CC2)ccc1Cl ZINC000731637088 1075423131 /nfs/dbraw/zinc/42/31/31/1075423131.db2.gz OHJKXATZTLRWLQ-UHFFFAOYSA-N 0 1 400.888 1.240 20 30 HDEDMN Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCO[C@@H](c3nn[nH]n3)C2)cc1C ZINC000732088453 1075621745 /nfs/dbraw/zinc/62/17/45/1075621745.db2.gz BXZQTHAKRVTYDE-QGZVFWFLSA-N 0 1 406.450 1.807 20 30 HDEDMN CCOC(=O)c1cc(C)sc1NC(=O)CN(C)CCCc1[nH]nc(N)c1C#N ZINC000534099130 1075638446 /nfs/dbraw/zinc/63/84/46/1075638446.db2.gz GTNPOOJSFLNDCK-UHFFFAOYSA-N 0 1 404.496 1.913 20 30 HDEDMN COc1cc(C)c([C@H](C)NC(=O)CN(C)CCCc2[nH]nc(N)c2C#N)cc1OC ZINC000536342929 1075694606 /nfs/dbraw/zinc/69/46/06/1075694606.db2.gz TYTNZRVUPQDFEH-AWEZNQCLSA-N 0 1 414.510 1.931 20 30 HDEDMN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 ZINC000543930410 1075700475 /nfs/dbraw/zinc/70/04/75/1075700475.db2.gz LBOKQUQVZQMTDS-WBMJQRKESA-N 0 1 412.881 1.935 20 30 HDEDMN CN(C)[C@@H](CNC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1)c1cccs1 ZINC000490514360 1075748111 /nfs/dbraw/zinc/74/81/11/1075748111.db2.gz QCJUJAQHGWWNTO-INIZCTEOSA-N 0 1 423.502 1.617 20 30 HDEDMN Cc1ccc([C@@H](CNC(=O)NCCNC(=O)C2N=CC=CC2=O)N2CCCC2)o1 ZINC000732459815 1075750216 /nfs/dbraw/zinc/75/02/16/1075750216.db2.gz RWIVAOCSTHFJEZ-RAJOGRCSSA-N 0 1 401.467 1.551 20 30 HDEDMN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC000541143493 1075808381 /nfs/dbraw/zinc/80/83/81/1075808381.db2.gz MENLVEOSJPLLGF-LRDDRELGSA-N 0 1 412.881 1.935 20 30 HDEDMN N#C[C@@H](C(=O)C=Cc1ccccc1OC(F)(F)F)C(=O)N1CCS(=O)(=O)CC1 ZINC000732910103 1075908146 /nfs/dbraw/zinc/90/81/46/1075908146.db2.gz MFVJAARGPHIUJA-GFUIURDCSA-N 0 1 416.377 1.564 20 30 HDEDMN COC(=O)C[C@@H]1CCCCN1CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000611429393 1075928899 /nfs/dbraw/zinc/92/88/99/1075928899.db2.gz LHSPZXWHKWWTMA-PMACEKPBSA-N 0 1 416.497 1.952 20 30 HDEDMN C=CCN1CCC(N2C(=O)N[C@@H]3CN(C(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)CC[C@H]32)CC1 ZINC001079165535 1075966659 /nfs/dbraw/zinc/96/66/59/1075966659.db2.gz XOTCXOTWMKNAOU-IRIQXGSBSA-N 0 1 400.523 1.055 20 30 HDEDMN C#CCN(CCC(=O)NCC(=O)OC)[C@H]1CCOc2ccc(Br)cc21 ZINC000733195500 1076001993 /nfs/dbraw/zinc/00/19/93/1076001993.db2.gz PFOYLTCNLUDOPI-HNNXBMFYSA-N 0 1 409.280 1.887 20 30 HDEDMN NS(=O)(=O)c1ccc(N=NCc2ccc(N3CCOCC3)c(F)c2)c([N+](=O)[O-])c1 ZINC000727251682 1076086925 /nfs/dbraw/zinc/08/69/25/1076086925.db2.gz CWDYKMATAVAUOA-UHFFFAOYSA-N 0 1 423.426 1.664 20 30 HDEDMN N#Cc1ccc(CN2CCCN(C(=O)CCNC(=O)C3N=CC=CC3=O)CC2)cc1 ZINC000733887297 1076250007 /nfs/dbraw/zinc/25/00/07/1076250007.db2.gz VZHJBRJCFUMRBI-QURGRASLSA-N 0 1 407.474 1.509 20 30 HDEDMN CN1CCN(C[C@H](NC(=O)NCCNc2ncccc2C#N)c2ccccc2)CC1 ZINC000727940002 1076291554 /nfs/dbraw/zinc/29/15/54/1076291554.db2.gz ADKBZRAQHRMUHU-FQEVSTJZSA-N 0 1 407.522 1.653 20 30 HDEDMN C=C(C)CN(CC)C(=O)COC(=O)c1cc(NC(C)=O)ccc1NS(C)(=O)=O ZINC000728106077 1076336587 /nfs/dbraw/zinc/33/65/87/1076336587.db2.gz QBXYXIRWHPVRKX-UHFFFAOYSA-N 0 1 411.480 1.598 20 30 HDEDMN CCOC(=O)C1C(CN2CCO[C@@H](C#N)C2)=NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000730062744 1076417447 /nfs/dbraw/zinc/41/74/47/1076417447.db2.gz RADMTZGOXQEJSA-YJBOKZPZSA-N 0 1 400.435 1.091 20 30 HDEDMN CN1CCC(C#N)(NC(=O)CS(=O)(=O)Nc2ccc(N3CCCCC3)cc2)CC1 ZINC000730092836 1076447291 /nfs/dbraw/zinc/44/72/91/1076447291.db2.gz RQMIZHNYJWKBMN-UHFFFAOYSA-N 0 1 419.551 1.523 20 30 HDEDMN C#CCOc1ccc(NC(=O)C(=O)NCc2ccc(N3CCN(CC)CC3)nc2)cc1 ZINC000731123264 1076727207 /nfs/dbraw/zinc/72/72/07/1076727207.db2.gz MRCBADDECMIXMC-UHFFFAOYSA-N 0 1 421.501 1.490 20 30 HDEDMN CSc1nc(Cl)c(C#N)c(N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164740751 720601847 /nfs/dbraw/zinc/60/18/47/720601847.db2.gz IWZTWBTXHICCQK-NEPJUHHUSA-N 0 1 403.899 1.855 20 30 HDEDMN Cc1nc(Cl)nc(N2CCC3(CC2)COCCN(CC(=O)N(C)C)C3)c1C#N ZINC001164873473 721273863 /nfs/dbraw/zinc/27/38/63/721273863.db2.gz MUXBRXLFCXKKEE-UHFFFAOYSA-N 0 1 406.918 1.317 20 30 HDEDMN CN(C)C(=O)CN1CCOCC2(CCN(c3ncc(CC#N)cc3Cl)CC2)C1 ZINC001164879662 721289728 /nfs/dbraw/zinc/28/97/28/721289728.db2.gz YVENNJZQTCZCBC-UHFFFAOYSA-N 0 1 405.930 1.808 20 30 HDEDMN Cc1nc(N2CCC3(CC2)COCCN(CC(=O)N(C)C)C3)c(Cl)cc1C#N ZINC001164875832 721293113 /nfs/dbraw/zinc/29/31/13/721293113.db2.gz HIAXHBCGDUUKNV-UHFFFAOYSA-N 0 1 405.930 1.922 20 30 HDEDMN COc1nc(N2CC[C@@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)c(F)cc1C#N ZINC001164888809 721431075 /nfs/dbraw/zinc/43/10/75/721431075.db2.gz BBFDIFIKGHYHPY-DYESRHJHSA-N 0 1 403.502 1.866 20 30 HDEDMN CSc1nc(Cl)c(C#N)c(N2CCn3cc(CN4CCN(C)CC4)nc3C2)n1 ZINC001164796195 721508179 /nfs/dbraw/zinc/50/81/79/721508179.db2.gz PQGPLNGRMSPJBJ-UHFFFAOYSA-N 0 1 418.958 1.688 20 30 HDEDMN CN1CCN(Cc2cn3c(n2)CN(c2nc(-c4ccncc4)ccc2C#N)CC3)CC1 ZINC001164798239 721518276 /nfs/dbraw/zinc/51/82/76/721518276.db2.gz QEVURHZKNSDRHF-UHFFFAOYSA-N 0 1 414.517 1.979 20 30 HDEDMN Cc1nc(C#N)c(N2CCN(C(=O)CN[C@@H](C)[C@H]3OCCc4sccc43)CC2)o1 ZINC000429188919 1074017390 /nfs/dbraw/zinc/01/73/90/1074017390.db2.gz JPGUVGWKHAPVDG-ORAYPTAESA-N 0 1 415.519 1.857 20 30 HDEDMN Cc1cc(NC(=O)C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)nn1CCC#N ZINC000504502568 1074737697 /nfs/dbraw/zinc/73/76/97/1074737697.db2.gz KZTZESWBYVBDBT-UHFFFAOYSA-N 0 1 412.469 1.964 20 30 HDEDMN Cc1cc(NC(=O)NCCCCN2CCN(c3ncccn3)CC2)nn1CCC#N ZINC000540815576 1075172907 /nfs/dbraw/zinc/17/29/07/1075172907.db2.gz PWNCHWWOIWSLKO-UHFFFAOYSA-N 0 1 411.514 1.619 20 30 HDEDMN N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N2CCO[C@H](c3nn[nH]n3)C2)CC1 ZINC000731852740 1075534823 /nfs/dbraw/zinc/53/48/23/1075534823.db2.gz FIUUBNPXBFRSSZ-HNNXBMFYSA-N 0 1 424.421 1.136 20 30 HDEDMN N#CCOc1ccc(CC(=O)NCCCCN2CCN(c3ncccn3)CC2)cc1 ZINC000732073981 1075605719 /nfs/dbraw/zinc/60/57/19/1075605719.db2.gz ODOAHEXZKILESH-UHFFFAOYSA-N 0 1 408.506 1.640 20 30 HDEDMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)NCCNC(=O)C1N=CC=CC1=O ZINC000732234000 1075685201 /nfs/dbraw/zinc/68/52/01/1075685201.db2.gz PBOFYJZMVRPJMA-FMQUCBEESA-N 0 1 412.494 1.395 20 30 HDEDMN Cc1cccn2c1ncc(C(=O)C(C#N)c1nc(N)nc(Nc3ccccc3)n1)c2=O ZINC000539148000 1075724478 /nfs/dbraw/zinc/72/44/78/1075724478.db2.gz MXWHEAMIJZKUAP-CQSZACIVSA-N 0 1 412.413 1.426 20 30 HDEDMN C[C@H](CN1CCN(C)CC1)NC(=O)C(=O)Nc1ccccc1Oc1ncccc1C#N ZINC000429477898 1075742926 /nfs/dbraw/zinc/74/29/26/1075742926.db2.gz RAJUESMBEBNSIM-MRXNPFEDSA-N 0 1 422.489 1.436 20 30 HDEDMN Cc1ccc([C@@H](CNC(=O)NCCNC(=O)C2N=CC=CC2=O)N2CCCC2)o1 ZINC000732459805 1075750184 /nfs/dbraw/zinc/75/01/84/1075750184.db2.gz RWIVAOCSTHFJEZ-AMGRQBIBSA-N 0 1 401.467 1.551 20 30 HDEDMN N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)NCCN2CCCCC2)n1 ZINC000543938018 1075787674 /nfs/dbraw/zinc/78/76/74/1075787674.db2.gz SWROAXIISMCLLA-UHFFFAOYSA-N 0 1 400.870 1.938 20 30 HDEDMN C[C@H]1CC[N@@H+](CCNC(=O)C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C1 ZINC000543921382 1075800741 /nfs/dbraw/zinc/80/07/41/1075800741.db2.gz MGKNJGGIPKCWEE-ZDUSSCGKSA-N 0 1 400.870 1.794 20 30 HDEDMN C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H](c1nnc[nH]1)c1ccccc1 ZINC000543606165 1075853964 /nfs/dbraw/zinc/85/39/64/1075853964.db2.gz GGWCMRNSTOAXGO-GUYCJALGSA-N 0 1 410.459 1.249 20 30 HDEDMN N#Cc1ccc(C2=CCN(C(=O)N[C@@H]3CCN(CCN4CCOCC4)C3)CC2)cc1 ZINC000611241119 1075882136 /nfs/dbraw/zinc/88/21/36/1075882136.db2.gz VXGOACWWHDIROP-JOCHJYFZSA-N 0 1 409.534 1.763 20 30 HDEDMN COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1CCN(Cc2n[nH]c(C)n2)CC1 ZINC000611431076 1075930810 /nfs/dbraw/zinc/93/08/10/1075930810.db2.gz MGZDHSTWIRRPLC-MRXNPFEDSA-N 0 1 411.510 1.575 20 30 HDEDMN C#CCCCC(=O)N1CCN(CCCCCNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC001079163088 1075966362 /nfs/dbraw/zinc/96/63/62/1075966362.db2.gz QEYBZSWNURBBND-JRHPMUGDSA-N 0 1 401.551 1.644 20 30 HDEDMN C=CCN1CCC(N2C(=O)N[C@H]3CN(C(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)CC[C@H]32)CC1 ZINC001079165536 1075966624 /nfs/dbraw/zinc/96/66/24/1075966624.db2.gz XOTCXOTWMKNAOU-PHUPPTAPSA-N 0 1 400.523 1.055 20 30 HDEDMN O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(C2CCC2)CC1 ZINC000733275932 1076027368 /nfs/dbraw/zinc/02/73/68/1076027368.db2.gz QKRAUQXZFWAIIL-UHFFFAOYSA-N 0 1 418.563 1.982 20 30 HDEDMN N#Cc1cccc(OCC(=O)[N-]S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000733858405 1076234622 /nfs/dbraw/zinc/23/46/22/1076234622.db2.gz XWSBWGCMSYWNMB-UHFFFAOYSA-N 0 1 414.487 1.116 20 30 HDEDMN N#Cc1ccc(CN2CCCN(C(=O)CCNC(=O)C3N=CC=CC3=O)CC2)cc1 ZINC000733887296 1076249927 /nfs/dbraw/zinc/24/99/27/1076249927.db2.gz VZHJBRJCFUMRBI-DQRAZIAOSA-N 0 1 407.474 1.509 20 30 HDEDMN O=C(CCNC(=O)C1N=CC=CC1=O)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000733888622 1076250626 /nfs/dbraw/zinc/25/06/26/1076250626.db2.gz BADOPBKQRQBQFC-QZQOTICOSA-N 0 1 400.454 1.823 20 30 HDEDMN Cc1oc(NC(=O)COC(=O)CCNC(=O)c2n[nH]c3ccccc32)c(C#N)c1C ZINC000728101125 1076331801 /nfs/dbraw/zinc/33/18/01/1076331801.db2.gz SCUDMIXHNOJXKF-UHFFFAOYSA-N 0 1 409.402 1.946 20 30 HDEDMN CCN(C[C@@H](C)C#N)C(=O)COC(=O)c1cc(NC(C)=O)ccc1NS(C)(=O)=O ZINC000728106212 1076336166 /nfs/dbraw/zinc/33/61/66/1076336166.db2.gz YEQJAJSTVFRZEX-LBPRGKRZSA-N 0 1 424.479 1.181 20 30 HDEDMN CCOC(=O)C1C(CN2CCO[C@H](C#N)C2)=NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000730062736 1076417540 /nfs/dbraw/zinc/41/75/40/1076417540.db2.gz RADMTZGOXQEJSA-CRAIPNDOSA-N 0 1 400.435 1.091 20 30 HDEDMN COc1ccccc1NC(=O)C(C#N)C(=O)CSc1nnnn1CC(F)(F)F ZINC000730071381 1076436779 /nfs/dbraw/zinc/43/67/79/1076436779.db2.gz LMHAQMSRIGGARI-SECBINFHSA-N 0 1 414.369 1.684 20 30 HDEDMN N#C[C@H](C(=O)CSc1nnnn1CC(F)(F)F)c1nnc2n1CCCCC2 ZINC000730071066 1076437129 /nfs/dbraw/zinc/43/71/29/1076437129.db2.gz DPXUCHOSEKJNPC-SECBINFHSA-N 0 1 400.390 1.522 20 30 HDEDMN CCOC(=O)c1cc(C)nc(N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c1C#N ZINC001164740599 720663209 /nfs/dbraw/zinc/66/32/09/720663209.db2.gz RBZWUDDIZFETNP-CVEARBPZSA-N 0 1 408.462 1.570 20 30 HDEDMN Cc1cc(Cl)nc(N2CCC3(CC2)COCCN(CC(=O)N(C)C)C3)c1C#N ZINC001164877733 721262911 /nfs/dbraw/zinc/26/29/11/721262911.db2.gz RNQUMFOMTDDQRY-UHFFFAOYSA-N 0 1 405.930 1.922 20 30 HDEDMN Cc1nc(C#N)c(N2CCC(C(=O)Nc3cc(C(N)=O)ccc3CN(C)C)CC2)o1 ZINC000556385280 1073803909 /nfs/dbraw/zinc/80/39/09/1073803909.db2.gz GMRLTNOYHPZGBK-UHFFFAOYSA-N 0 1 410.478 1.870 20 30 HDEDMN Cc1cc(NC(=O)C(=O)Nc2ccc(N3CCN(C)CC3)cc2C)nn1CCC#N ZINC000525844802 1074785769 /nfs/dbraw/zinc/78/57/69/1074785769.db2.gz GFCLSNZZMLGWKJ-UHFFFAOYSA-N 0 1 409.494 1.743 20 30 HDEDMN N#Cc1ccc(S(=O)(=O)Nc2cccc(NC(=O)C(N)=O)c2)c(C(F)(F)F)c1 ZINC000509382122 1075350857 /nfs/dbraw/zinc/35/08/57/1075350857.db2.gz AFSUVXFOCGWLGV-UHFFFAOYSA-N 0 1 412.349 1.802 20 30 HDEDMN Cc1[nH]ncc1C1CCN(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC1 ZINC000570831372 1075507722 /nfs/dbraw/zinc/50/77/22/1075507722.db2.gz HGNFYIMXTZPODH-UHFFFAOYSA-N 0 1 421.436 2.259 20 30 HDEDMN CCc1nc([C@@H](C)NC(=O)C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)n[nH]1 ZINC000543928184 1075538840 /nfs/dbraw/zinc/53/88/40/1075538840.db2.gz LFVQCBMCENXNRH-SNVBAGLBSA-N 0 1 412.841 1.894 20 30 HDEDMN O=C(NCCNC(=O)C1N=CC=CC1=O)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000732448402 1075740608 /nfs/dbraw/zinc/74/06/08/1075740608.db2.gz HDAWYTBYCCWMOK-VXPUYCOJSA-N 0 1 415.469 1.616 20 30 HDEDMN N#CC(C(=O)c1ccnc(O[C@@H]2CCOC2)c1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000542653099 1075745089 /nfs/dbraw/zinc/74/50/89/1075745089.db2.gz ARKCZRPTWWGEBZ-CVEARBPZSA-N 0 1 417.429 1.672 20 30 HDEDMN N#C[C@@H](C(=O)c1ccnc(O[C@@H]2CCOC2)c1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000542653099 1075745092 /nfs/dbraw/zinc/74/50/92/1075745092.db2.gz ARKCZRPTWWGEBZ-CVEARBPZSA-N 0 1 417.429 1.672 20 30 HDEDMN CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)n1 ZINC000527125420 1075782663 /nfs/dbraw/zinc/78/26/63/1075782663.db2.gz QYPVQKCIIKRIQE-ZDUSSCGKSA-N 0 1 410.482 1.850 20 30 HDEDMN N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)CN1CCc3n[nH]nc3C1)CCCC2 ZINC000429293003 1075831832 /nfs/dbraw/zinc/83/18/32/1075831832.db2.gz IXCRWMRDLNDTAM-CQSZACIVSA-N 0 1 409.494 1.532 20 30 HDEDMN COc1ccc([C@@H](CNC(=O)N2CCN(C3CC3)[C@H](C#N)C2)N(C)C)cc1OC ZINC000732701148 1075835436 /nfs/dbraw/zinc/83/54/36/1075835436.db2.gz PUZIBUZMNDSXSE-QZTJIDSGSA-N 0 1 401.511 1.688 20 30 HDEDMN CCc1cc(CNC(=O)[C@@H](CC(C)C)N=C2NS(=O)(=O)c3ccccc32)n[nH]1 ZINC000732789043 1075857876 /nfs/dbraw/zinc/85/78/76/1075857876.db2.gz SXHVVPLLOMUAAY-MRXNPFEDSA-N 0 1 403.508 1.742 20 30 HDEDMN N#Cc1ccc(OC2CCC(NC(=O)N3CCN([C@H]4CCC[C@H]4O)CC3)CC2)nc1 ZINC000611264831 1075888619 /nfs/dbraw/zinc/88/86/19/1075888619.db2.gz WHGRNOHQIQXCPF-GHBBCFCZSA-N 0 1 413.522 1.884 20 30 HDEDMN C#CCN1CCC(C(=O)N2CCC(N(CC(F)(F)F)S(C)(=O)=O)CC2)CC1 ZINC000732945103 1075923357 /nfs/dbraw/zinc/92/33/57/1075923357.db2.gz MIPUEPGYZXMBHK-UHFFFAOYSA-N 0 1 409.474 1.147 20 30 HDEDMN COC(=O)C[C@H]1CCCCN1CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000611429396 1075928984 /nfs/dbraw/zinc/92/89/84/1075928984.db2.gz LHSPZXWHKWWTMA-WOJBJXKFSA-N 0 1 416.497 1.952 20 30 HDEDMN CC(C)[C@H](NCC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)C(=O)N1CCCC1 ZINC000611433028 1075931491 /nfs/dbraw/zinc/93/14/91/1075931491.db2.gz SYDYOYXFAHJTGR-XLIONFOSSA-N 0 1 417.579 1.694 20 30 HDEDMN CC[C@@H](C#N)Oc1cc(CNC(=O)CN(C)c2ncnc3[nH]cnc32)ccc1OC ZINC000733230074 1076017336 /nfs/dbraw/zinc/01/73/36/1076017336.db2.gz KUDYFZZUANDJNI-AWEZNQCLSA-N 0 1 409.450 1.795 20 30 HDEDMN C=CCn1c(CCN2CCCCC2)nn(CN(C)CCS(C)(=O)=O)c1=S ZINC000728046990 1076319034 /nfs/dbraw/zinc/31/90/34/1076319034.db2.gz REFSTEKROZKHTA-UHFFFAOYSA-N 0 1 401.602 1.562 20 30 HDEDMN