smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(NC[C@@H]2CO[C@]3(C2)COCCN(C(F)(F)c2cnc(Cl)c(C#N)c2)C3)nn1 ZINC001164639548 719265489 /nfs/dbraw/zinc/26/54/89/719265489.db2.gz QIFXWLFYZIPDSO-QRWLVFNGSA-N 0 0 464.904 2.974 20 30 JFEDRN CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1C[C@@H]2CCCO[C@@H]2[C@@H](N2CCCC2=O)C1 ZINC001164655280 719304338 /nfs/dbraw/zinc/30/43/38/719304338.db2.gz SLVNIIGOWAYQRE-OWQGQXMQSA-N 0 0 482.915 2.934 20 30 JFEDRN Cc1oncc1C(=O)N[C@@H]1CN(C(F)(F)c2cc(Cl)nc(C#N)c2)C[C@@H]2CCCO[C@@H]12 ZINC001164650258 719319363 /nfs/dbraw/zinc/31/93/63/719319363.db2.gz CWBGGIMQYNHIBT-BJOOFOGMSA-N 0 0 451.861 2.862 20 30 JFEDRN Cc1oncc1C(=O)N[C@@H]1CN(C(F)(F)c2ccc(Cl)nc2C#N)C[C@@H]2CCCO[C@H]12 ZINC001164654937 719319395 /nfs/dbraw/zinc/31/93/95/719319395.db2.gz TVYNTSDFLUTSDX-XZOAIXRZSA-N 0 0 451.861 2.862 20 30 JFEDRN Cc1oncc1C(=O)N[C@@H]1CN(C(F)(F)c2nc(Cl)ccc2C#N)C[C@@H]2CCCO[C@H]12 ZINC001164652000 719319680 /nfs/dbraw/zinc/31/96/80/719319680.db2.gz IUYAVVSOPUGAJM-LXZKKBNFSA-N 0 0 451.861 2.862 20 30 JFEDRN C[C@@H]1N(c2cnn(C)c2)C(=O)COC12CCN(C(F)(F)c1cc(Cl)nc(C#N)c1)CC2 ZINC001164683418 719690589 /nfs/dbraw/zinc/69/05/89/719690589.db2.gz FVNYQOMYUJAXKI-ZDUSSCGKSA-N 0 0 450.877 2.676 20 30 JFEDRN N#Cc1ccc(N2C[C@]3(COCCN(C(F)(F)c4cnc(Cl)c(C#N)c4)C3)OCC2=O)cc1 ZINC001164692713 719782001 /nfs/dbraw/zinc/78/20/01/719782001.db2.gz VIMUCEIJJVRKLQ-OAQYLSRUSA-N 0 0 473.867 2.662 20 30 JFEDRN N#Cc1ccc(N2C[C@@]3(COCCN(C(F)(F)c4cc(C#N)cc(Cl)n4)C3)OCC2=O)cc1 ZINC001164690339 719782102 /nfs/dbraw/zinc/78/21/02/719782102.db2.gz AOMGZLCAZBCAPE-NRFANRHFSA-N 0 0 473.867 2.662 20 30 JFEDRN N#Cc1ccc(N2C[C@@]3(COCCN(C(F)(F)c4cc(Cl)ncc4C#N)C3)OCC2=O)cc1 ZINC001164692023 719782225 /nfs/dbraw/zinc/78/22/25/719782225.db2.gz RBRXWNNPVRRLOT-NRFANRHFSA-N 0 0 473.867 2.662 20 30 JFEDRN N#Cc1ccc(C(F)(F)N2CC[C@@H]3C[C@@H](C(=O)NCCc4ccccn4)O[C@H]3C2)nc1Cl ZINC001164702029 719817761 /nfs/dbraw/zinc/81/77/61/719817761.db2.gz QMHWQCWVYWNJLZ-JLSDUUJJSA-N 0 0 461.900 2.889 20 30 JFEDRN COc1cc(C(F)(F)N2CC[C@@H]3C[C@H](C(=O)NCCc4ccccn4)O[C@H]3C2)c(C#N)c(Cl)n1 ZINC001164700138 719819280 /nfs/dbraw/zinc/81/92/80/719819280.db2.gz ISUJYBFXQZOQDI-ZMYBRWDISA-N 0 0 491.926 2.898 20 30 JFEDRN Cc1cccc2nc(Cl)c(C#N)c(N3CCc4c(C(=O)N5CCN(C)CC5)nn(C)c4C3)c12 ZINC001164714662 720048964 /nfs/dbraw/zinc/04/89/64/720048964.db2.gz QSOGEUPOXNYSTI-UHFFFAOYSA-N 0 0 463.973 2.752 20 30 JFEDRN CSc1nc(Cl)c(C#N)c(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CCN3C)n1 ZINC001164828353 720356453 /nfs/dbraw/zinc/35/64/53/720356453.db2.gz OIZBRBZAGACEQA-UHFFFAOYSA-N 0 0 478.047 2.802 20 30 JFEDRN Cn1cnc2c1[C@@H](COCCN1CCOCC1)CN(c1nc3ccccc3c(Cl)c1C#N)C2 ZINC001164831794 720469192 /nfs/dbraw/zinc/46/91/92/720469192.db2.gz QKEOKSMNGCKZAF-QGZVFWFLSA-N 0 0 466.973 2.946 20 30 JFEDRN CC(C)CC(=O)NCc1cc(=O)n2c(n1)CN(C(F)(F)c1cnc(Cl)cc1C#N)CCC2 ZINC001164747323 720866699 /nfs/dbraw/zinc/86/66/99/720866699.db2.gz BDNBGKSEICMVIK-UHFFFAOYSA-N 0 0 464.904 2.781 20 30 JFEDRN CNC(=O)[C@@]12CN(C(F)(F)c3cc(Cl)nc(Cl)c3C#N)C[C@H]1N(c1ncccn1)CCC2 ZINC001164870359 721201073 /nfs/dbraw/zinc/20/10/73/721201073.db2.gz UKRPNWXQYNKLIQ-KUHUBIRLSA-N 0 0 482.322 2.816 20 30 JFEDRN COc1cc(C(F)(F)N2C[C@@H]3OCC[C@H]3[C@H](C(=O)NCc3cccnc3)C2)c(C#N)c(Cl)n1 ZINC001164874172 721302945 /nfs/dbraw/zinc/30/29/45/721302945.db2.gz BIGVWNKOCBNMHE-LESCRADOSA-N 0 0 477.899 2.713 20 30 JFEDRN COc1cc(C(F)(F)N2C[C@@H]3CN(S(=O)(=O)c4ccccc4)C[C@@H]3C2)c(C#N)c(Cl)n1 ZINC001164876188 721308702 /nfs/dbraw/zinc/30/87/02/721308702.db2.gz GKQWKXQCZQQNTA-OKILXGFUSA-N 0 0 468.913 2.917 20 30 JFEDRN C=CCOCc1nn(C)c2c1CN([C@@]1(F)CN(C3CCCC3)c3nc(Cl)ncc3NC1=O)CC2 ZINC001164788007 721446887 /nfs/dbraw/zinc/44/68/87/721446887.db2.gz YJWARMPRRWRFTQ-QHCPKHFHSA-N 0 0 489.983 2.991 20 30 JFEDRN N#Cc1cnc(Cl)cc1C(F)(F)N1CCCn2c(=O)cc(CNC(=O)c3ccco3)nc2C1 ZINC001164888278 721471294 /nfs/dbraw/zinc/47/12/94/721471294.db2.gz FXBNDUDUJGPBHG-UHFFFAOYSA-N 0 0 474.855 2.642 20 30 JFEDRN N#Cc1cnc(Cl)cc1C(F)(F)N1Cc2nccn2C[C@@H](COCC(=O)N2CCCC2)C1 ZINC001164902786 721581941 /nfs/dbraw/zinc/58/19/41/721581941.db2.gz HQNLFYMLLYNYSV-OAHLLOKOSA-N 0 0 464.904 2.623 20 30 JFEDRN COc1cc(C(F)(F)N2Cc3nccn3C[C@@H](COCC(=O)N3CCCC3)C2)c(C#N)c(Cl)n1 ZINC001164903816 721582044 /nfs/dbraw/zinc/58/20/44/721582044.db2.gz OBMFRLJWGOSPSD-OAHLLOKOSA-N 0 0 494.930 2.632 20 30 JFEDRN N#Cc1c(Cl)nccc1C(F)(F)N1CCOC[C@@]2(CN(c3ccsc3)C(=O)CO2)C1 ZINC001164803624 721593713 /nfs/dbraw/zinc/59/37/13/721593713.db2.gz XQAAEMUAKJKQMC-SFHVURJKSA-N 0 0 454.886 2.852 20 30 JFEDRN Cc1ccc([C@H](C#N)c2ccc(N3CCO[C@]4(C3)COCCN(Cc3cccnc3)C4)nn2)cc1 ZINC001164912993 721770462 /nfs/dbraw/zinc/77/04/62/721770462.db2.gz SSZGVUMXMCXIHZ-RPLLCQBOSA-N 0 0 470.577 2.943 20 30 JFEDRN Cc1nc(CN2CCOC[C@]3(CN(c4nc(-c5ccncc5)ccc4C#N)CCO3)C2)cs1 ZINC001164921118 721831861 /nfs/dbraw/zinc/83/18/61/721831861.db2.gz IIVRJLIWWVAGRR-XMMPIXPASA-N 0 0 462.579 2.888 20 30 JFEDRN Cc1nc(CN2CCOC[C@@]3(CN(c4cc(C#N)c5cc([N+](=O)[O-])ccc5n4)CCO3)C2)cs1 ZINC001164921201 721834244 /nfs/dbraw/zinc/83/42/44/721834244.db2.gz CKGNLJYQLMUQGB-QHCPKHFHSA-N 0 0 480.550 2.887 20 30 JFEDRN COCCN1CCO[C@H]2CN(C(F)(F)c3cc(-c4cccc(C#N)c4)nnc3Cl)CC[C@@H]2C1=O ZINC001164920154 721845224 /nfs/dbraw/zinc/84/52/24/721845224.db2.gz GLDJTLGHXQGVRA-PXNSSMCTSA-N 0 0 491.926 2.914 20 30 JFEDRN Cn1ccc(CN2CCOCC23CCN(c2ccc([C@@H](C#N)c4ccccc4F)nn2)CC3)n1 ZINC001164936610 721906611 /nfs/dbraw/zinc/90/66/11/721906611.db2.gz RUQMXJVXTKTBIF-NRFANRHFSA-N 0 0 461.545 2.876 20 30 JFEDRN COC(=O)c1c(C#C[Si](C)(C)C)ccnc1N1C[C@@H]2[C@H](C1)OCCN2Cc1c(C)noc1C ZINC001164941831 721950767 /nfs/dbraw/zinc/95/07/67/721950767.db2.gz BYWOQGWYOHXELC-RTWAWAEBSA-N 0 0 468.630 2.792 20 30 JFEDRN CN(C)S(=O)(=O)N1CC[C@H]2CN(C(F)(F)c3cc(-c4ccc(C#N)cc4)nnc3Cl)C[C@@H]2C1 ZINC001164950175 721990406 /nfs/dbraw/zinc/99/04/06/721990406.db2.gz JEOBIRHPOICKGF-DLBZAZTESA-N 0 0 496.971 2.778 20 30 JFEDRN CC(=O)N1CC(=O)NC[C@]12CCN(C(F)(F)c1ccc3nc(Cl)c(C#N)c(Cl)c3c1)C2 ZINC001164968423 722079806 /nfs/dbraw/zinc/07/98/06/722079806.db2.gz ARNXLKPQAOFPPE-IBGZPJMESA-N 0 0 468.291 2.885 20 30 JFEDRN COc1cc(C(F)(F)N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)N3C(C)=O)C2)c(C#N)c(Cl)n1 ZINC001164969303 722080726 /nfs/dbraw/zinc/08/07/26/722080726.db2.gz IWSOFGTUTPNOOH-IIDMSEBBSA-N 0 0 464.904 2.873 20 30 JFEDRN CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1CC[C@@H](OCCOC)[C@H]1Cc1cnn(C)c1 ZINC001164999417 722224145 /nfs/dbraw/zinc/22/41/45/722224145.db2.gz MWYMKQVRHKYYSH-QZTJIDSGSA-N 0 0 497.930 2.915 20 30 JFEDRN Cc1ccc([C@@H](C#N)c2ccc(N3CCc4ncnc(N5CCN(C)CC5)c4CC3)nn2)cc1 ZINC001164998073 722229731 /nfs/dbraw/zinc/22/97/31/722229731.db2.gz WLNODKZTXRDMMO-JOCHJYFZSA-N 0 0 454.582 2.588 20 30 JFEDRN N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1Cc2nccn2C[C@H](CNC(=O)c2ccnnc2)C1 ZINC001165004126 722240684 /nfs/dbraw/zinc/24/06/84/722240684.db2.gz NLSTXTVUEXWGOH-LBPRGKRZSA-N 0 0 493.305 2.858 20 30 JFEDRN COc1ccc([C@]2(C)NC(=O)N(CC(=O)[C@@H](C#N)c3nccn3Cc3ccccc3)C2=O)cc1 ZINC001263374446 1059478275 /nfs/dbraw/zinc/47/82/75/1059478275.db2.gz KQCGXXQDGBRWNC-NLFFAJNJSA-N 0 0 457.490 2.583 20 30 JFEDRN CN(C)C(=O)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cn(-c3ccc(Br)cc3)nn2)cc1 ZINC001263375537 1059479199 /nfs/dbraw/zinc/47/91/99/1059479199.db2.gz RSJUCBUOCHGNFP-QGZVFWFLSA-N 0 0 481.310 2.693 20 30 JFEDRN N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)OCc3noc(-c4ccc(F)cc4)n3)CC2)cc1 ZINC001263380592 1059481145 /nfs/dbraw/zinc/48/11/45/1059481145.db2.gz VIHQCDNOVACHFA-UHFFFAOYSA-N 0 0 470.482 2.891 20 30 JFEDRN CC(C)CNc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)Cc1cccc(C#N)c1 ZINC001264018519 1059506459 /nfs/dbraw/zinc/50/64/59/1059506459.db2.gz FYFNKCZRPNAUJB-UHFFFAOYSA-N 0 0 456.568 2.828 20 30 JFEDRN C=C[C@@H]1OCC[C@H]1C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCCC1 ZINC001264296392 1059563354 /nfs/dbraw/zinc/56/33/54/1059563354.db2.gz ORVKXPUAOOIXRG-KNQAVFIVSA-N 0 0 463.600 2.618 20 30 JFEDRN Cc1c(C)n(-c2ccccc2)c(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)c1C#N ZINC001264507736 1059600522 /nfs/dbraw/zinc/60/05/22/1059600522.db2.gz SAGXGGRBQBNASS-UHFFFAOYSA-N 0 0 454.508 2.832 20 30 JFEDRN C=CC[C@@]1(C(=O)Nc2ccc(CC(=O)NCC(=O)OC)cc2)CCCN1C(=O)OC(C)(C)C ZINC001264580930 1059618760 /nfs/dbraw/zinc/61/87/60/1059618760.db2.gz OTLJETYRKYUQKE-DEOSSOPVSA-N 0 0 459.543 2.803 20 30 JFEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)[C@@]23CN(C(=O)OC(C)(C)C)C[C@@H]2CCOC3)cc1 ZINC001264608846 1059625138 /nfs/dbraw/zinc/62/51/38/1059625138.db2.gz DTSAJMRYCWNIPS-GAJHUEQPSA-N 0 0 479.599 2.705 20 30 JFEDRN CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(C)(C)CNC(=O)OC(C)(C)C)c1 ZINC001264633934 1059632695 /nfs/dbraw/zinc/63/26/95/1059632695.db2.gz GHBCWKPZKKMHPF-JJIBRWJFSA-N 0 0 452.577 2.989 20 30 JFEDRN Cc1cc(F)cc(-n2cc(C(=O)Nc3cccc(S(=O)(=O)/N=C4/CCCN4C)c3)nn2)c1 ZINC001264634970 1059633701 /nfs/dbraw/zinc/63/37/01/1059633701.db2.gz VGSHMVSDZAGMRW-QQTULTPQSA-N 0 0 456.503 2.780 20 30 JFEDRN COc1cc(C(=O)N2CCN(C(=O)[C@H]3CCN(c4ccc(C#N)cc4F)C3)CC2)ccc1C ZINC001264653934 1059641253 /nfs/dbraw/zinc/64/12/53/1059641253.db2.gz SBDPKNIZUGLUJG-FQEVSTJZSA-N 0 0 450.514 2.825 20 30 JFEDRN CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2cncc(N3CCCC3)n2)c1 ZINC001264676680 1059646529 /nfs/dbraw/zinc/64/65/29/1059646529.db2.gz DYRBHNCJQUCSNQ-LHLOQNFPSA-N 0 0 456.572 2.922 20 30 JFEDRN COC(=O)c1ccc(CC(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCCCN3C)cc2)cn1 ZINC001264724602 1059656102 /nfs/dbraw/zinc/65/61/02/1059656102.db2.gz ZGEMBTMTOMBTKM-QQTULTPQSA-N 0 0 458.540 2.642 20 30 JFEDRN C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)C2CCC(OC[C@@H]3CCCO3)CC2)c1 ZINC001264809639 1059687360 /nfs/dbraw/zinc/68/73/60/1059687360.db2.gz OCPJNXPEVRHFRB-HQNXYIODSA-N 0 0 454.567 2.614 20 30 JFEDRN C#CCNC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(C(=O)N2CCc3sccc3C2)C1 ZINC001264863965 1059710942 /nfs/dbraw/zinc/71/09/42/1059710942.db2.gz RZTNMFAZTBEAEC-GOSISDBHSA-N 0 0 450.564 2.940 20 30 JFEDRN COCCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1C[C@@H](OC)CN1C(=O)OCc1ccccc1 ZINC001264937660 1059732721 /nfs/dbraw/zinc/73/27/21/1059732721.db2.gz MAZWJLPTNKTPGF-DHIUTWEWSA-N 0 0 451.523 2.959 20 30 JFEDRN N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCCc4ccc([N+](=O)[O-])cc43)CC2)cc1 ZINC001264967284 1059741672 /nfs/dbraw/zinc/74/16/72/1059741672.db2.gz HDZLMRZYMLPEGZ-UHFFFAOYSA-N 0 0 454.508 2.847 20 30 JFEDRN COCC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 ZINC001265114267 1059768993 /nfs/dbraw/zinc/76/89/93/1059768993.db2.gz UCSPCOLQHWHBGL-XZOQPEGZSA-N 0 0 450.539 2.554 20 30 JFEDRN C=CCC1(C(=O)N2CCN(C(=O)COc3ccc(Br)cc3)CC2)CCOCC1 ZINC001265123460 1059772137 /nfs/dbraw/zinc/77/21/37/1059772137.db2.gz HMSVBBGEUHUMKU-UHFFFAOYSA-N 0 0 451.361 2.872 20 30 JFEDRN C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)Nc3ccnn3-c3ccc(C#N)cc3)n(C)c2)C1 ZINC001265207396 1059794254 /nfs/dbraw/zinc/79/42/54/1059794254.db2.gz AQEORSVTLMESGS-MRXNPFEDSA-N 0 0 452.540 2.755 20 30 JFEDRN 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Cc1noc(C)c1[C@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(OCC(N)=O)CC1 ZINC001290906505 1062781313 /nfs/dbraw/zinc/78/13/13/1062781313.db2.gz RLZITQQBRPTUQH-OAHLLOKOSA-N 0 0 463.542 2.696 20 30 JFEDRN CC(C)[C@@H]1OCCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)N1CCOCC1 ZINC001287311418 1062785816 /nfs/dbraw/zinc/78/58/16/1062785816.db2.gz STZXICFIISRBGX-GGAORHGYSA-N 0 0 466.586 2.563 20 30 JFEDRN CC(C)[C@@H]1OCCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1 ZINC001287319198 1062792041 /nfs/dbraw/zinc/79/20/41/1062792041.db2.gz MLZBLQWEGOLZCL-XXBNENTESA-N 0 0 452.559 2.506 20 30 JFEDRN CCCO[C@@H]1CCCN(c2nnc(Cc3ccncc3)n2CCNC(=O)C2N=CC=CC2=O)CC1 ZINC001295006307 1062793290 /nfs/dbraw/zinc/79/32/90/1062793290.db2.gz LWMBPRZSOVNYRG-BBJJLJPOSA-N 0 0 479.585 2.576 20 30 JFEDRN Cc1noc(C)c1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC001290934585 1062809722 /nfs/dbraw/zinc/80/97/22/1062809722.db2.gz KHGAKVRLSPAGTQ-QGZVFWFLSA-N 0 0 473.459 2.975 20 30 JFEDRN Cc1noc(C)c1Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCO[C@H](C#N)C1 ZINC001290938654 1062813561 /nfs/dbraw/zinc/81/35/61/1062813561.db2.gz VYHWRDWJAVJVCR-ZWKOTPCHSA-N 0 0 471.562 2.775 20 30 JFEDRN CCN(C(=O)OC(C)(C)C)[C@H](C)Cn1c(Cc2ccncc2)nnc1N1CCO[C@H](C#N)C1 ZINC001295045353 1062845207 /nfs/dbraw/zinc/84/52/07/1062845207.db2.gz LNUMGTIAAYFXMT-IEBWSBKVSA-N 0 0 455.563 2.638 20 30 JFEDRN CC(C)Cc1nnc(N2CCC(CC(=O)NC3CCCC3)CC2)n1CCNC(=O)C1N=CC=CC1=O ZINC001287408115 1062848942 /nfs/dbraw/zinc/84/89/42/1062848942.db2.gz VLQNATXPCSEGAG-IZHYLOQSSA-N 0 0 497.644 2.668 20 30 JFEDRN C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1Cc1ccnc(OCC(F)(F)F)c1 ZINC001290977486 1062860421 /nfs/dbraw/zinc/86/04/21/1062860421.db2.gz ATHOXMABRAXEOY-OAHLLOKOSA-N 0 0 485.470 2.868 20 30 JFEDRN CC(C)Cc1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1CC1(C(N)=O)CCOCC1 ZINC001287425607 1062863363 /nfs/dbraw/zinc/86/33/63/1062863363.db2.gz NFCZDDNOGJATEW-UHFFFAOYSA-N 0 0 466.586 2.678 20 30 JFEDRN CCN(C)C(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 ZINC001295061755 1062874287 /nfs/dbraw/zinc/87/42/87/1062874287.db2.gz DBTBNVUSJLFPEZ-IBGZPJMESA-N 0 0 465.945 2.921 20 30 JFEDRN CCN(C)C(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC001295061756 1062874402 /nfs/dbraw/zinc/87/44/02/1062874402.db2.gz DBTBNVUSJLFPEZ-LJQANCHMSA-N 0 0 465.945 2.921 20 30 JFEDRN CC(C)c1nnc(N2CCN(CC(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)n1Cc1ccc(C#N)o1 ZINC001290990165 1062881958 /nfs/dbraw/zinc/88/19/58/1062881958.db2.gz QYDCXHXJRUDLAZ-RTBURBONSA-N 0 0 453.591 2.541 20 30 JFEDRN CC(C)Cc1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1CC1(S(C)(=O)=O)CC1 ZINC001287470907 1062918400 /nfs/dbraw/zinc/91/84/00/1062918400.db2.gz GZOYBPPGEWEOLD-UHFFFAOYSA-N 0 0 477.034 2.905 20 30 JFEDRN CC(C)Cc1nnc(N2CCN(c3ccccc3Cl)CC2)n1CCNC(=O)C1N=CC=CC1=O ZINC001287471641 1062920883 /nfs/dbraw/zinc/92/08/83/1062920883.db2.gz PKQAGBKPDHMDLC-GHVJWSGMSA-N 0 0 484.004 2.983 20 30 JFEDRN CCN(C)C(=O)Cn1c(N2C[C@@H](c3ccccc3)[C@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001295085033 1062921308 /nfs/dbraw/zinc/92/13/08/1062921308.db2.gz VMJVBWKSAPFJDE-CZSZKKDXSA-N 0 0 466.586 2.541 20 30 JFEDRN CC(C)Cc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CCCC(=O)NC1CC1 ZINC001287471990 1062921445 /nfs/dbraw/zinc/92/14/45/1062921445.db2.gz QPAVLBHXIGBCTK-UHFFFAOYSA-N 0 0 453.566 2.873 20 30 JFEDRN CC(C)Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@H]1CCN(CC(F)(F)F)C1 ZINC001287474793 1062923645 /nfs/dbraw/zinc/92/36/45/1062923645.db2.gz GXXGRZIFXPOAOK-ROUUACIJSA-N 0 0 491.566 2.738 20 30 JFEDRN CC(C)Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCOC[C@H]1CCCO1 ZINC001287475271 1062924837 /nfs/dbraw/zinc/92/48/37/1062924837.db2.gz QDVPKDJNFPYBRX-OAQYLSRUSA-N 0 0 453.591 2.656 20 30 JFEDRN C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1CC[C@@H]1CCO[C@H](C)C1 ZINC001291017711 1062930960 /nfs/dbraw/zinc/93/09/60/1062930960.db2.gz VNIDTVGDCDOTIA-FGTMMUONSA-N 0 0 460.604 2.602 20 30 JFEDRN C[C@@H]1C[C@H](CCn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@H](C(N)=O)C2)CCO1 ZINC001291021550 1062939757 /nfs/dbraw/zinc/93/97/57/1062939757.db2.gz TWPRPJBXCCHDNJ-GGPKGHCWSA-N 0 0 452.559 2.636 20 30 JFEDRN CN(CCOc1cccc(C(=O)N(C)CCCc2[nH]nc(N)c2C#N)c1)C(=O)OC(C)(C)C ZINC001295144705 1062963230 /nfs/dbraw/zinc/96/32/30/1062963230.db2.gz SFKSSEQEKGDCTQ-UHFFFAOYSA-N 0 0 456.547 2.814 20 30 JFEDRN CC(C)CC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 ZINC001287533298 1062968455 /nfs/dbraw/zinc/96/84/55/1062968455.db2.gz OSEUQGUPXBCFIE-XMMPIXPASA-N 0 0 488.658 2.864 20 30 JFEDRN CC(C)CC[C@](C)(O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 ZINC001287549050 1062981197 /nfs/dbraw/zinc/98/11/97/1062981197.db2.gz RQMUQJSWXVJXCS-CYFREDJKSA-N 0 0 485.658 2.633 20 30 JFEDRN CCN(c1nnc(-c2ccc(C#N)cc2)n1CCCNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001295165482 1062989750 /nfs/dbraw/zinc/98/97/50/1062989750.db2.gz SDGLLKYHMKYHDS-LJQANCHMSA-N 0 0 488.614 2.745 20 30 JFEDRN CC(C)CCN(C)c1nnc(Cc2cn3ccccc3n2)n1CCNC(=O)C1N=CC=CC1=O ZINC001287586852 1062995934 /nfs/dbraw/zinc/99/59/34/1062995934.db2.gz KDZZHJLNYMYZPU-FCQUAONHSA-N 0 0 462.558 2.525 20 30 JFEDRN CC(C)CCOCCCn1c([C@H]2CCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C ZINC001287654970 1063027283 /nfs/dbraw/zinc/02/72/83/1063027283.db2.gz ODCPGWDMAMPFNT-TZIWHRDSSA-N 0 0 468.606 2.959 20 30 JFEDRN CC(C)CN1C[C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCCNC(=O)C(C)C)CCN2C1=O ZINC001287732956 1063054744 /nfs/dbraw/zinc/05/47/44/1063054744.db2.gz ALPQVNJYHKQNPN-JOCHJYFZSA-N 0 0 492.628 2.561 20 30 JFEDRN CC(C)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCOC(C)(C)C2)[C@H](C)C1=O ZINC001287751305 1063078082 /nfs/dbraw/zinc/07/80/82/1063078082.db2.gz FIOQDJHEWBUVGZ-HXUWFJFHSA-N 0 0 479.629 2.621 20 30 JFEDRN CCN(C1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccco2)CC1)S(C)(=O)=O ZINC001295266752 1063084827 /nfs/dbraw/zinc/08/48/27/1063084827.db2.gz MSFCLZBEARLODJ-UHFFFAOYSA-N 0 0 454.556 2.708 20 30 JFEDRN CC(C)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NC2CCCCC2)CC1=O ZINC001287762093 1063088320 /nfs/dbraw/zinc/08/83/20/1063088320.db2.gz YQEVVZMTQUZQQN-UHFFFAOYSA-N 0 0 463.586 2.570 20 30 JFEDRN C[C@H]1CCCN(c2nnc(COc3ccccc3F)n2CCNC(=O)C2N=CC=CC2=O)C1 ZINC001291122229 1063134357 /nfs/dbraw/zinc/13/43/57/1063134357.db2.gz NBRYMNCAEAMGKF-XGNMISCSSA-N 0 0 454.506 2.759 20 30 JFEDRN CCN(CC)C(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(F)F)CC1 ZINC001295313763 1063184244 /nfs/dbraw/zinc/18/42/44/1063184244.db2.gz ODFTWLXSPIBWPV-UHFFFAOYSA-N 0 0 459.545 2.852 20 30 JFEDRN C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1Cn1c(-c2cccnc2)nnc1N1CCO[C@@H](C#N)C1 ZINC001291140299 1063208248 /nfs/dbraw/zinc/20/82/48/1063208248.db2.gz VNHNGNGSGNOEJR-NZSAHSFTSA-N 0 0 453.547 2.714 20 30 JFEDRN CCN(CC)C(=O)CN1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC[C@H](O)C2)CC1 ZINC001295327124 1063221009 /nfs/dbraw/zinc/22/10/09/1063221009.db2.gz OHCIXBQIQYEXMR-UPVQGACJSA-N 0 0 493.656 2.748 20 30 JFEDRN C[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNS(=O)(=O)Cc2ccon2)CC1(C)C ZINC001291154855 1063243800 /nfs/dbraw/zinc/24/38/00/1063243800.db2.gz GWJWQRKZYSCXCJ-KRWDZBQOSA-N 0 0 483.598 2.797 20 30 JFEDRN CCN(CC)C(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCOC2)CC1 ZINC001295349871 1063294062 /nfs/dbraw/zinc/29/40/62/1063294062.db2.gz XOEMDGYPHRQVNM-HXUWFJFHSA-N 0 0 451.575 2.827 20 30 JFEDRN CCN(CC)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C)(C#N)CC1)c1ccco1 ZINC001295407704 1063399736 /nfs/dbraw/zinc/39/97/36/1063399736.db2.gz XOWVWXVVPLQDLF-RBUKOAKNSA-N 0 0 474.631 2.986 20 30 JFEDRN C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@H]2C)C[C@@H]1NC(=O)OC(C)(C)C ZINC001291217533 1063438772 /nfs/dbraw/zinc/43/87/72/1063438772.db2.gz DFYRNNTWZMNBLA-XHFAZCCNSA-N 0 0 482.585 2.706 20 30 JFEDRN CC(C)C(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC001291218098 1063441229 /nfs/dbraw/zinc/44/12/29/1063441229.db2.gz NNNFAMWOMGQCNX-KBMIEXCESA-N 0 0 466.586 2.753 20 30 JFEDRN C[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2CCNC(=O)C2N=CC=CC2=O)C[C@@H](C)O1 ZINC001291219196 1063446502 /nfs/dbraw/zinc/44/65/02/1063446502.db2.gz HFNQNVHHKBOGEO-ITIGLASJSA-N 0 0 456.934 2.739 20 30 JFEDRN C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCOC(F)(F)F)C[C@@H]1N1CCOCC1 ZINC001291223143 1063462708 /nfs/dbraw/zinc/46/27/08/1063462708.db2.gz ANQIIHCYEGMULK-LPHOPBHVSA-N 0 0 464.492 2.900 20 30 JFEDRN C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(OCC(F)(F)F)nc2)CC(=O)N1C ZINC001291223893 1063465744 /nfs/dbraw/zinc/46/57/44/1063465744.db2.gz OIDIDCKNVCHHSS-OAHLLOKOSA-N 0 0 485.470 2.868 20 30 JFEDRN C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC2(O)CCOCC2)CCN1CC(F)(F)F ZINC001291224447 1063467735 /nfs/dbraw/zinc/46/77/35/1063467735.db2.gz YVRISNPPMBOEPL-QGZVFWFLSA-N 0 0 478.519 2.821 20 30 JFEDRN Cc1ccc(N2CCN(C(=O)[C@H](CC(C)C)/N=C3/NS(=O)(=O)c4ccccc43)CC2)cc1 ZINC001295468091 1063473872 /nfs/dbraw/zinc/47/38/72/1063473872.db2.gz VASDJZFDBBXWJQ-NRFANRHFSA-N 0 0 454.596 2.797 20 30 JFEDRN 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CC(C)(C)c1csc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(S(C)(=O)=O)CC2)n1 ZINC001286993447 1061899985 /nfs/dbraw/zinc/89/99/85/1061899985.db2.gz MEDZHSFWKBNXPL-UHFFFAOYSA-N 0 0 485.639 2.701 20 30 JFEDRN CC(C)(C)C1=CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)CC1 ZINC001286994553 1061903295 /nfs/dbraw/zinc/90/32/95/1061903295.db2.gz RHGCBTNXGBZMHA-UHFFFAOYSA-N 0 0 472.615 2.851 20 30 JFEDRN CC(C)(C)c1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1CCN1CCCS1(=O)=O ZINC001287000239 1061914291 /nfs/dbraw/zinc/91/42/91/1061914291.db2.gz CBUKMILYVGLDEA-UHFFFAOYSA-N 0 0 472.615 2.531 20 30 JFEDRN CCCCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2n[nH]c(C)n2)CC1 ZINC001294353360 1061920201 /nfs/dbraw/zinc/92/02/01/1061920201.db2.gz GTXSCXOYFUWRBW-UHFFFAOYSA-N 0 0 461.574 2.619 20 30 JFEDRN CCCCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2CCS(=O)(=O)CC2)CC1 ZINC001294353373 1061920378 /nfs/dbraw/zinc/92/03/78/1061920378.db2.gz HGIMOFGXERQOLO-UHFFFAOYSA-N 0 0 498.653 2.774 20 30 JFEDRN CC(C)(C)c1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1CCCn1cnnn1 ZINC001287008116 1061933896 /nfs/dbraw/zinc/93/38/96/1061933896.db2.gz PXBCJPVVPPUKOY-UHFFFAOYSA-N 0 0 454.970 2.504 20 30 JFEDRN Cc1cccnc1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](C#N)C1 ZINC001290229432 1061976832 /nfs/dbraw/zinc/97/68/32/1061976832.db2.gz MLQKJBWGZPLLPS-MJGOQNOKSA-N 0 0 453.547 2.831 20 30 JFEDRN CCCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCOC2(CCOCC2)C1 ZINC001294414633 1061979676 /nfs/dbraw/zinc/97/96/76/1061979676.db2.gz BSCVETPDIXHBOO-UHFFFAOYSA-N 0 0 455.559 2.931 20 30 JFEDRN CC1=CCCN(c2nnc(-c3cc(Br)cn3C)n2CCNC(=O)C2N=CC=CC2=O)C1 ZINC001290236401 1061982604 /nfs/dbraw/zinc/98/26/04/1061982604.db2.gz PPPFAOZYTGKKMP-ZZEZOPTASA-N 0 0 486.374 2.729 20 30 JFEDRN CC(C)(C)Cc1nnc(N2CCN(c3ccc(Cl)cn3)CC2)n1CCNC(=O)C1N=CC=CC1=O ZINC001287033739 1061992903 /nfs/dbraw/zinc/99/29/03/1061992903.db2.gz KFXMKRUKSNOYIY-DQRAZIAOSA-N 0 0 499.019 2.768 20 30 JFEDRN CC(C)(C)Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCNC(=O)C(C)(C)C ZINC001287034393 1061995898 /nfs/dbraw/zinc/99/58/98/1061995898.db2.gz UGWBSTFMPCUAMF-UHFFFAOYSA-N 0 0 452.607 2.622 20 30 JFEDRN CC(C)(C)Cc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1C[C@@H]1CC[C@H](CO)O1 ZINC001287034600 1061997615 /nfs/dbraw/zinc/99/76/15/1061997615.db2.gz YKPIXWQMFVXGBB-RBUKOAKNSA-N 0 0 456.566 2.744 20 30 JFEDRN COc1cccc([C@H](NC(=O)CCNC(=O)C2N=CC=CC2=O)c2cc(F)ccc2OC)c1 ZINC001294458165 1062005508 /nfs/dbraw/zinc/00/55/08/1062005508.db2.gz XECGHYLFMQYJNW-ACOCPHQRSA-N 0 0 453.470 2.965 20 30 JFEDRN Cc1cnc([C@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@H](C(N)=O)C2)s1 ZINC001290297991 1062027458 /nfs/dbraw/zinc/02/74/58/1062027458.db2.gz UJOASKOULNJNAM-QAPCUYQASA-N 0 0 465.583 2.999 20 30 JFEDRN CC(C)(C)NC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC[C@H](O)C2)CC1 ZINC001287047241 1062032150 /nfs/dbraw/zinc/03/21/50/1062032150.db2.gz CSHQBMQWUFHGPV-FPOVZHCZSA-N 0 0 465.602 2.998 20 30 JFEDRN CC(C)(C)OC(=O)N1CC[C@@H](CCn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@H](C(N)=O)C2)C1 ZINC001287049826 1062044920 /nfs/dbraw/zinc/04/49/20/1062044920.db2.gz WROXZYJJCDYEMX-AZUAARDMSA-N 0 0 479.585 2.775 20 30 JFEDRN CC(C)(C)OC(=O)N1CC(Cn2c(CCc3ccccc3)nnc2N2CCO[C@H](C#N)C2)C1 ZINC001287051647 1062052124 /nfs/dbraw/zinc/05/21/24/1062052124.db2.gz SQXRMYCCHIHGLB-HXUWFJFHSA-N 0 0 452.559 2.659 20 30 JFEDRN CC(C)(C)OC(=O)N1CCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001287052934 1062058415 /nfs/dbraw/zinc/05/84/15/1062058415.db2.gz KXGLJVYUQPQOOQ-VQTJNVASSA-N 0 0 479.585 2.918 20 30 JFEDRN CC(C)(C)OC(=O)N1CCc2[nH]nc(C(=O)N3CCN([C@@H](C#N)c4ccccc4)CC3)c2C1 ZINC001290343480 1062059812 /nfs/dbraw/zinc/05/98/12/1062059812.db2.gz PBDFADVYBDMBAX-FQEVSTJZSA-N 0 0 450.543 2.726 20 30 JFEDRN Cc1csc(Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](c3cccc(C#N)c3)C2)n1 ZINC001290344112 1062060620 /nfs/dbraw/zinc/06/06/20/1062060620.db2.gz SDYDRAWSVWETJA-GOSISDBHSA-N 0 0 451.556 2.679 20 30 JFEDRN CC(C)(C)OC(=O)N1CCOC[C@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1CCCOCC(F)F ZINC001287053692 1062061153 /nfs/dbraw/zinc/06/11/53/1062061153.db2.gz JLRFQABNYSOMBQ-BTYIYWSLSA-N 0 0 488.511 2.700 20 30 JFEDRN CC(C)(C)OC(=O)N1CCOC[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCCC(F)(F)F ZINC001287056535 1062076928 /nfs/dbraw/zinc/07/69/28/1062076928.db2.gz IDNSNLLEWHWBRQ-LSDHHAIUSA-N 0 0 474.484 2.658 20 30 JFEDRN CC(C)(C)OC(=O)N1CCOC[C@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCCC(F)(F)F ZINC001287056531 1062076952 /nfs/dbraw/zinc/07/69/52/1062076952.db2.gz IDNSNLLEWHWBRQ-GJZGRUSLSA-N 0 0 474.484 2.658 20 30 JFEDRN CC(C)(C)OC(=O)NC1(Cn2c([C@H]3CCCOC3)nnc2N2CCC(CC#N)CC2)COC1 ZINC001287057716 1062082224 /nfs/dbraw/zinc/08/22/24/1062082224.db2.gz XKFZIFDVPXMBRO-SFHVURJKSA-N 0 0 460.579 2.596 20 30 JFEDRN Cc1nc(Cc2nnc(N(C)[C@@H](C)CC#N)n2CCS(=O)(=O)Cc2ccccc2)cs1 ZINC001290381318 1062082994 /nfs/dbraw/zinc/08/29/94/1062082994.db2.gz JRDDZFUIAFHZAV-INIZCTEOSA-N 0 0 458.613 2.987 20 30 JFEDRN CC(C)(C)OC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)C2CC2)CC1 ZINC001287059048 1062088250 /nfs/dbraw/zinc/08/82/50/1062088250.db2.gz PJIPLNPXALSZPL-UHFFFAOYSA-N 0 0 479.585 2.836 20 30 JFEDRN Cc1nc(Cc2nnc(N(C)CCc3ccccc3F)n2CCNC(=O)C2N=CC=CC2=O)cs1 ZINC001290398004 1062098875 /nfs/dbraw/zinc/09/88/75/1062098875.db2.gz CHLURGMFQZHRAP-FCQUAONHSA-N 0 0 495.584 2.978 20 30 JFEDRN COc1ccc(-c2nn(CC(=O)N3CCCN(Cc4ccc(C#N)cc4)CC3)cc2C=O)cc1 ZINC001290400038 1062100974 /nfs/dbraw/zinc/10/09/74/1062100974.db2.gz HXJTXTFMBVTUTI-UHFFFAOYSA-N 0 0 457.534 2.977 20 30 JFEDRN Cc1nc(Cc2nnc(N3CCC(C#N)CC3)n2CC[C@H](C(F)F)N2CCOCC2)cs1 ZINC001290410697 1062127856 /nfs/dbraw/zinc/12/78/56/1062127856.db2.gz LKJRAVOHNFZBBT-GOSISDBHSA-N 0 0 465.574 2.730 20 30 JFEDRN N#CCc1ccnc(NC(=O)c2cccc(S(=O)(=O)NCc3ccc4c(c3)OCO4)c2)c1 ZINC001294623882 1062131541 /nfs/dbraw/zinc/13/15/41/1062131541.db2.gz LWNQXEKVJUHYOD-UHFFFAOYSA-N 0 0 450.476 2.607 20 30 JFEDRN CC(C)(C)OC(=O)NC[C@H]1CN(c2nnc(-c3cccnc3)n2Cc2ccc(C#N)o2)CCO1 ZINC001287066996 1062155010 /nfs/dbraw/zinc/15/50/10/1062155010.db2.gz YOPYQGZIEIOMRW-IBGZPJMESA-N 0 0 465.514 2.583 20 30 JFEDRN CC(C)(C)OC(=O)N[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2NC(=O)CC2(C)C)C1 ZINC001287072120 1062205657 /nfs/dbraw/zinc/20/56/57/1062205657.db2.gz PSYQJHUVSUAVHQ-OALUTQOASA-N 0 0 479.585 2.835 20 30 JFEDRN CC(C)(C)O[C@@H]1CCCN(c2nnc(-c3ccccn3)n2CCNC(=O)C2N=CC=CC2=O)C1 ZINC001287075439 1062222604 /nfs/dbraw/zinc/22/26/04/1062222604.db2.gz HEXLDIDHWMMVBP-SLNYWTKHSA-N 0 0 465.558 2.650 20 30 JFEDRN CC(C)(C)OCCn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 ZINC001287079521 1062231696 /nfs/dbraw/zinc/23/16/96/1062231696.db2.gz KEUXAYKTMBRJJN-UHFFFAOYSA-N 0 0 465.602 2.523 20 30 JFEDRN CC(C)(C)OCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCO[C@H](C#N)C1 ZINC001287079959 1062232762 /nfs/dbraw/zinc/23/27/62/1062232762.db2.gz OEMOYNLQYPKACZ-GOSISDBHSA-N 0 0 462.595 2.936 20 30 JFEDRN Cc1nc(CCn2c(-c3cccc(C#N)c3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n[nH]1 ZINC001290456775 1062236735 /nfs/dbraw/zinc/23/67/35/1062236735.db2.gz ZEGZNQSWQLBHHO-INIZCTEOSA-N 0 0 477.573 2.932 20 30 JFEDRN CC(C)(C)S(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 ZINC001287084405 1062251034 /nfs/dbraw/zinc/25/10/34/1062251034.db2.gz OHIOWCINQYXPNW-UHFFFAOYSA-N 0 0 470.643 2.638 20 30 JFEDRN CC(C)(C)[S@@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 ZINC001287084603 1062252562 /nfs/dbraw/zinc/25/25/62/1062252562.db2.gz TVUMQNCFPLBJFZ-BPJXYHRLSA-N 0 0 468.627 2.955 20 30 JFEDRN CC(C)(C)[S@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 ZINC001287084606 1062252847 /nfs/dbraw/zinc/25/28/47/1062252847.db2.gz TVUMQNCFPLBJFZ-OGPYBGEISA-N 0 0 468.627 2.955 20 30 JFEDRN CC(C)(C)[S@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C[C@H]2CCCO2)CC1 ZINC001287084620 1062253321 /nfs/dbraw/zinc/25/33/21/1062253321.db2.gz UEMHBLJZKGHAAQ-GSTQUKTASA-N 0 0 470.643 2.665 20 30 JFEDRN CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCC(F)(F)C2)n1CCNC(=O)C1N=CC=CC1=O ZINC001287084857 1062254904 /nfs/dbraw/zinc/25/49/04/1062254904.db2.gz AZYHVGYMVRIKRP-RIJZSDJMSA-N 0 0 464.517 2.569 20 30 JFEDRN CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N(CCC#N)CC2CC2)n1CCC(=O)N1CCOCC1 ZINC001287085657 1062259253 /nfs/dbraw/zinc/25/92/53/1062259253.db2.gz JDQAJTFVFGUWNQ-TZIWHRDSSA-N 0 0 458.607 2.576 20 30 JFEDRN CC(C)(C)[S@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ncccc2C#N)CC1 ZINC001287087957 1062269976 /nfs/dbraw/zinc/26/99/76/1062269976.db2.gz OMVJZGDQMCWHET-PGUFJCEWSA-N 0 0 488.621 2.957 20 30 JFEDRN Cc1ncc(CN(C)c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCS(=O)(=O)C2)s1 ZINC001290488589 1062275383 /nfs/dbraw/zinc/27/53/83/1062275383.db2.gz FWQCMICGLNZELP-KRWDZBQOSA-N 0 0 472.596 2.565 20 30 JFEDRN Cc1ncc(Cn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CCO[C@@H](C#N)C2)s1 ZINC001290491334 1062280122 /nfs/dbraw/zinc/28/01/22/1062280122.db2.gz MESIUWHEXFDNDA-IRXDYDNUSA-N 0 0 473.603 2.935 20 30 JFEDRN CC(C)(C)[S@@](=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 ZINC001287090157 1062280967 /nfs/dbraw/zinc/28/09/67/1062280967.db2.gz VAVPSVGEORXKMY-WHUARKNTSA-N 0 0 489.667 2.768 20 30 JFEDRN N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NCC#Cc3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC001290502884 1062297895 /nfs/dbraw/zinc/29/78/95/1062297895.db2.gz YMPCSONHBVBKHB-IBGZPJMESA-N 0 0 454.408 2.950 20 30 JFEDRN CC(C)(O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCN(c2ccc(C#N)cn2)CC1 ZINC001287097719 1062303202 /nfs/dbraw/zinc/30/32/02/1062303202.db2.gz UKPAJAMJSLENQY-UHFFFAOYSA-N 0 0 467.524 2.901 20 30 JFEDRN Cc1nccn1CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@](C)(C#N)C1 ZINC001290522015 1062323042 /nfs/dbraw/zinc/32/30/42/1062323042.db2.gz SZJGZQHWEDMKHL-QHCPKHFHSA-N 0 0 482.614 2.531 20 30 JFEDRN CC(C)C(=O)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@@H]2CCOC2)CC1 ZINC001287112072 1062327787 /nfs/dbraw/zinc/32/77/87/1062327787.db2.gz FOSHSMOWFCVMIJ-OAQYLSRUSA-N 0 0 466.586 2.850 20 30 JFEDRN N#Cc1ccnc(N2CCN(C(=O)c3ncc(Br)cc3Br)CC2)c1 ZINC001290527158 1062328267 /nfs/dbraw/zinc/32/82/67/1062328267.db2.gz QRUCZYGZMJHIAX-UHFFFAOYSA-N 0 0 451.122 2.836 20 30 JFEDRN CC(C)C(=O)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCO[C@H]2CCOC2)CC1 ZINC001287112210 1062328225 /nfs/dbraw/zinc/32/82/25/1062328225.db2.gz JVMWNFNGRLXLDV-QHCPKHFHSA-N 0 0 496.612 2.619 20 30 JFEDRN CC(C)C(=O)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCO[C@@H]2CCOC2)CC1 ZINC001287112208 1062328359 /nfs/dbraw/zinc/32/83/59/1062328359.db2.gz JVMWNFNGRLXLDV-HSZRJFAPSA-N 0 0 496.612 2.619 20 30 JFEDRN Cc1nccnc1CCn1c(C(=O)NC(C)C)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 ZINC001290529482 1062330091 /nfs/dbraw/zinc/33/00/91/1062330091.db2.gz QDEGGTMOZPVJRE-UHFFFAOYSA-N 0 0 474.569 2.677 20 30 JFEDRN CC(C)C(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nccn2C(F)F)CC1 ZINC001287113562 1062333372 /nfs/dbraw/zinc/33/33/72/1062333372.db2.gz MHJSVBGIBDSROV-UHFFFAOYSA-N 0 0 454.485 2.761 20 30 JFEDRN Cc1nccnc1CCn1c(COc2ccc(C#N)cc2)nnc1N(C)CCN1CCOC(C)(C)C1 ZINC001290536819 1062336769 /nfs/dbraw/zinc/33/67/69/1062336769.db2.gz VTECVQYYMLKQRO-UHFFFAOYSA-N 0 0 490.612 2.617 20 30 JFEDRN 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CCCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)N2CCOCC2)CC1 ZINC001294819259 1062497352 /nfs/dbraw/zinc/49/73/52/1062497352.db2.gz DCTCTNXFIBWTMS-UHFFFAOYSA-N 0 0 479.629 2.670 20 30 JFEDRN CCCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C(=O)NCC)CCC2)CC1 ZINC001294820277 1062501114 /nfs/dbraw/zinc/50/11/14/1062501114.db2.gz QSNYGMXOOOPMMS-UHFFFAOYSA-N 0 0 477.613 2.866 20 30 JFEDRN Cc1cc(C)n(Cc2nnc(N3CC[C@](F)(C#N)C3)n2Cc2ccc(C[S@@](C)=O)cc2)n1 ZINC001290628708 1062502346 /nfs/dbraw/zinc/50/23/46/1062502346.db2.gz NQBRPAWKPCJWNW-GHRAFVERSA-N 0 0 455.563 2.509 20 30 JFEDRN CC(C)[C@H](C)NC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCO[C@H]2C)CC1 ZINC001287153079 1062529166 /nfs/dbraw/zinc/52/91/66/1062529166.db2.gz LUWZQJCCQNIYPY-DGUDUIIESA-N 0 0 480.613 2.734 20 30 JFEDRN CC(C)[C@H](C)NC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC2CC2)CC1 ZINC001287153729 1062532387 /nfs/dbraw/zinc/53/23/87/1062532387.db2.gz SLAPHYWUASPUQX-SFHVURJKSA-N 0 0 477.613 2.720 20 30 JFEDRN CC(C)[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC001287154400 1062535454 /nfs/dbraw/zinc/53/54/54/1062535454.db2.gz UZWJUIXBJDZULU-DFIYOIEZSA-N 0 0 470.618 2.681 20 30 JFEDRN CCCNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC001294843490 1062538743 /nfs/dbraw/zinc/53/87/43/1062538743.db2.gz ZQTWGFCLCAMWSY-PBHICJAKSA-N 0 0 450.465 2.889 20 30 JFEDRN Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C#N)C3)n2Cc2cccc(COCC(F)(F)F)c2)n1 ZINC001290648790 1062545649 /nfs/dbraw/zinc/54/56/49/1062545649.db2.gz WKWVVSWOUODUCF-FQEVSTJZSA-N 0 0 489.502 2.996 20 30 JFEDRN CCCNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(N(C)C(=O)OCC)CC1 ZINC001294847323 1062545751 /nfs/dbraw/zinc/54/57/51/1062545751.db2.gz PHALTKKAQGDVLS-UHFFFAOYSA-N 0 0 467.574 2.790 20 30 JFEDRN CCCNC(=O)CCn1c(-c2cccnc2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 ZINC001294849182 1062549062 /nfs/dbraw/zinc/54/90/62/1062549062.db2.gz IRQYXHXEFNSREL-UHFFFAOYSA-N 0 0 462.533 2.594 20 30 JFEDRN CCCNC(=O)CCn1c(-c2nn(CC)c(=O)c3ccccc32)nnc1N1CCC(C)(C#N)CC1 ZINC001294851175 1062551634 /nfs/dbraw/zinc/55/16/34/1062551634.db2.gz HAWHKDAGJOTOKE-UHFFFAOYSA-N 0 0 476.585 2.721 20 30 JFEDRN Cn1cc(NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)c(-c2ccccn2)n1 ZINC001294853065 1062555360 /nfs/dbraw/zinc/55/53/60/1062555360.db2.gz TUASDAJGEABZGZ-UHFFFAOYSA-N 0 0 452.540 2.720 20 30 JFEDRN Cc1cc(C)n(CC2CCN(c3nnc(-c4cccc(C#N)c4)n3CC(=O)NCC(F)F)CC2)n1 ZINC001290659136 1062562893 /nfs/dbraw/zinc/56/28/93/1062562893.db2.gz HZVUZPBNBSNVNT-UHFFFAOYSA-N 0 0 482.539 2.928 20 30 JFEDRN CC(C)[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C(N)=O)C1)c1cccnc1 ZINC001287164006 1062572713 /nfs/dbraw/zinc/57/27/13/1062572713.db2.gz TXSKGFLGTZFWFN-UNMCSNQZSA-N 0 0 459.554 2.875 20 30 JFEDRN CCCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 ZINC001294874738 1062584870 /nfs/dbraw/zinc/58/48/70/1062584870.db2.gz SZYNRVSBLBKSIA-OAQYLSRUSA-N 0 0 486.580 2.782 20 30 JFEDRN CC(C)c1nc(CCn2c(-c3cccc(C#N)c3)nnc2N2CCS(=O)(=O)CC2)cs1 ZINC001287171058 1062588046 /nfs/dbraw/zinc/58/80/46/1062588046.db2.gz WCINNMAQYLRSEM-UHFFFAOYSA-N 0 0 456.597 2.874 20 30 JFEDRN CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(C(=O)c2ccsc2)CC1 ZINC001294882582 1062595893 /nfs/dbraw/zinc/59/58/93/1062595893.db2.gz YANQMDVZISFHTN-UHFFFAOYSA-N 0 0 477.594 2.757 20 30 JFEDRN CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001294888712 1062610787 /nfs/dbraw/zinc/61/07/87/1062610787.db2.gz PYTSUSHBXATZKN-QFBILLFUSA-N 0 0 467.574 2.692 20 30 JFEDRN CC(C)c1nnc(N2CC[C@H](OCc3ccccc3)C2)n1CCNC(=O)C1N=CC=CC1=O ZINC001287200910 1062639347 /nfs/dbraw/zinc/63/93/47/1062639347.db2.gz XCWHFEIQCQHWHE-KFGJJWJMSA-N 0 0 450.543 2.723 20 30 JFEDRN CCCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 ZINC001294911030 1062661409 /nfs/dbraw/zinc/66/14/09/1062661409.db2.gz XVOLPCUXMVIEEE-FQEVSTJZSA-N 0 0 450.568 2.906 20 30 JFEDRN CCCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC001294911031 1062661518 /nfs/dbraw/zinc/66/15/18/1062661518.db2.gz XVOLPCUXMVIEEE-HXUWFJFHSA-N 0 0 450.568 2.906 20 30 JFEDRN CC(C)c1nnc(N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1CCNC(=O)C1N=CC=CC1=O ZINC001287211331 1062661590 /nfs/dbraw/zinc/66/15/90/1062661590.db2.gz HTWODUMDLOYRPB-JLUOLNIDSA-N 0 0 487.605 2.764 20 30 JFEDRN CCCOc1ccc(-c2nnc(N3CCC(C#N)CC3)n2CCC(=O)N2CCOCC2)cc1OC ZINC001294929349 1062705466 /nfs/dbraw/zinc/70/54/66/1062705466.db2.gz UIGUDLMBZABTDV-UHFFFAOYSA-N 0 0 482.585 2.731 20 30 JFEDRN CCCOc1ccc(-c2nnc(N3CCN(C(=O)COC)CC3)n2Cc2ccc(C#N)o2)cc1OC ZINC001294939361 1062718822 /nfs/dbraw/zinc/71/88/22/1062718822.db2.gz PQAGQZUMEDEWGW-UHFFFAOYSA-N 0 0 494.552 2.550 20 30 JFEDRN CCCOc1ccc(Cn2c(C(C)C)nnc2N2CCN(c3c(C#N)c(C)nn3C)CC2)cn1 ZINC001294948926 1062735102 /nfs/dbraw/zinc/73/51/02/1062735102.db2.gz PELDKFMZBGQZII-UHFFFAOYSA-N 0 0 463.590 2.874 20 30 JFEDRN CCCOc1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCS(C)(=O)=O)cn1 ZINC001294952964 1062738719 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456.564 2.757 20 30 JFEDRN Cc1noc(C2CCN(c3nnc(COc4ccc(C#N)cc4)n3CCC(C)(C)O)CC2)n1 ZINC001290950424 1062827012 /nfs/dbraw/zinc/82/70/12/1062827012.db2.gz VECPRQDQWRDIRD-UHFFFAOYSA-N 0 0 451.531 2.965 20 30 JFEDRN Cc1noc(CCCn2c(-c3ccc(C#N)cc3)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)n1 ZINC001290952623 1062827809 /nfs/dbraw/zinc/82/78/09/1062827809.db2.gz OTVCEYZKMRKYLG-IBGZPJMESA-N 0 0 469.571 2.545 20 30 JFEDRN Cc1noc(CCCn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N2CC[C@](F)(C#N)C2)n1 ZINC001290957632 1062833565 /nfs/dbraw/zinc/83/35/65/1062833565.db2.gz DQORPHPEOOIWBB-DMPWYTOCSA-N 0 0 474.541 2.815 20 30 JFEDRN CCN(C(=O)OC(C)(C)C)[C@H](C)Cn1c([C@@H]2CCOC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 ZINC001295045952 1062848796 /nfs/dbraw/zinc/84/87/96/1062848796.db2.gz ZRKFEFKJNUIPBZ-GGPKGHCWSA-N 0 0 473.622 2.604 20 30 JFEDRN CCN(C(=O)OC(C)(C)C)[C@H](C)Cn1c([C@@H]2CCOC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 ZINC001295045954 1062848852 /nfs/dbraw/zinc/84/88/52/1062848852.db2.gz ZRKFEFKJNUIPBZ-QWFCFKBJSA-N 0 0 473.622 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C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(c3nnc(-c4cccc(C#N)c4)n3CCCCCO)CC2)C1 ZINC001290989389 1062879136 /nfs/dbraw/zinc/87/91/36/1062879136.db2.gz MQARXBCYKUXZAV-FGZHOGPDSA-N 0 0 493.656 2.606 20 30 JFEDRN CC(C)Cc1nnc(N2CCN(c3c(C#N)cnc4ccccc43)CC2)n1CCOCCCO ZINC001287469841 1062918006 /nfs/dbraw/zinc/91/80/06/1062918006.db2.gz WPTHBNPRAWOQEA-UHFFFAOYSA-N 0 0 463.586 2.622 20 30 JFEDRN CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)Cc1cnc(C(C)C)nc1 ZINC001295084577 1062919451 /nfs/dbraw/zinc/91/94/51/1062919451.db2.gz UBTMULZBMLQHSZ-UHFFFAOYSA-N 0 0 462.558 2.757 20 30 JFEDRN CC(C)Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1Cc1nccc(C(F)F)n1 ZINC001287474558 1062923048 /nfs/dbraw/zinc/92/30/48/1062923048.db2.gz DFQVTLAIBOXBLP-UHFFFAOYSA-N 0 0 453.501 2.846 20 30 JFEDRN CC(C)Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCCOCC1CCOCC1 ZINC001287474802 1062923744 /nfs/dbraw/zinc/92/37/44/1062923744.db2.gz GYUNEUHLBQSMLW-FQEVSTJZSA-N 0 0 482.633 2.687 20 30 JFEDRN CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1ccccc1-n1cccn1 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BMGVVSPXGGIOCK-QHCPKHFHSA-N 0 0 457.600 2.894 20 30 JFEDRN C[C@H]1CCC[C@H](NC(=O)CN2CCN(c3nnc(-c4cccc(C#N)c4)n3CCCCCO)CC2)C1 ZINC001291076621 1063026232 /nfs/dbraw/zinc/02/62/32/1063026232.db2.gz QZCOVECAQDAJAU-URXFXBBRSA-N 0 0 493.656 2.796 20 30 JFEDRN CC(C)CCOCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 ZINC001287664173 1063030822 /nfs/dbraw/zinc/03/08/22/1063030822.db2.gz SBCKRZXNZVGXHD-NRFANRHFSA-N 0 0 453.591 2.828 20 30 JFEDRN Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCN(c4ccc(C#N)cc4)CC3)C2)s1 ZINC001287697683 1063041505 /nfs/dbraw/zinc/04/15/05/1063041505.db2.gz NJIOWEOEWWDJHQ-IBGZPJMESA-N 0 0 458.609 2.678 20 30 JFEDRN CCN(c1nnc(Cn2nc(C)cc2C)n1CCNC(=O)C1N=CC=CC1=O)C1CCCCC1 ZINC001295247519 1063064514 /nfs/dbraw/zinc/06/45/14/1063064514.db2.gz FZNBGUMWCNPBCI-GHVJWSGMSA-N 0 0 466.590 2.825 20 30 JFEDRN N#Cc1ccc(S(=O)(=O)NCC(=O)NCCc2cc(Cl)ccc2Br)cc1 ZINC001295248322 1063065980 /nfs/dbraw/zinc/06/59/80/1063065980.db2.gz DFQAJUMYQWHMBW-UHFFFAOYSA-N 0 0 456.749 2.611 20 30 JFEDRN 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CCN(CC)C(=O)CN1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cc(C)no2)CC1 ZINC001295327544 1063224130 /nfs/dbraw/zinc/22/41/30/1063224130.db2.gz WVENJYGGTOTCDP-UHFFFAOYSA-N 0 0 476.585 2.542 20 30 JFEDRN CCN(CC)C(=O)CCCn1c(N2CCN(c3nccnc3C#N)C[C@H]2C)nnc1C(C)(C)C ZINC001295330579 1063230813 /nfs/dbraw/zinc/23/08/13/1063230813.db2.gz ZPFSKOJXXHGMAB-GOSISDBHSA-N 0 0 467.622 2.601 20 30 JFEDRN CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1cccc([C@@H]2CNC(=O)C2)c1 ZINC001295333906 1063233603 /nfs/dbraw/zinc/23/36/03/1063233603.db2.gz RKSLVOANQDYWNG-LPHOPBHVSA-N 0 0 454.552 2.526 20 30 JFEDRN CCN(CC)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nc(C)c(C)s2)CC1 ZINC001295336649 1063259670 /nfs/dbraw/zinc/25/96/70/1063259670.db2.gz USTJATGCDZBPLJ-UHFFFAOYSA-N 0 0 492.653 2.929 20 30 JFEDRN C[C@@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCNC(=O)C2N=CC=CC2=O)[C@@H]1C ZINC001291178744 1063267141 /nfs/dbraw/zinc/26/71/41/1063267141.db2.gz PTIQDIDUBTZNOF-XQWVOTRJSA-N 0 0 499.616 2.810 20 30 JFEDRN C[C@@H]1CN(C(C)(C)Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCCS(C)(=O)=O)C[C@@H](C)O1 ZINC001291186622 1063291860 /nfs/dbraw/zinc/29/18/60/1063291860.db2.gz HRMQNZRGNOOWSV-RTBURBONSA-N 0 0 488.658 2.575 20 30 JFEDRN CCN(CC)C(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)C(C)(C)C)CC1 ZINC001295349621 1063293553 /nfs/dbraw/zinc/29/35/53/1063293553.db2.gz WDKRRPNXYXCJIP-UHFFFAOYSA-N 0 0 480.617 2.563 20 30 JFEDRN CCN(CC)C(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)NC(C)(C)C)CC1 ZINC001295349570 1063293598 /nfs/dbraw/zinc/29/35/98/1063293598.db2.gz ULTPGBWURZSYQV-UHFFFAOYSA-N 0 0 480.617 2.705 20 30 JFEDRN C[C@@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1CCCC1CCOCC1 ZINC001291193477 1063322754 /nfs/dbraw/zinc/32/27/54/1063322754.db2.gz CRWMIOSRZKSLCD-GOSISDBHSA-N 0 0 452.559 2.602 20 30 JFEDRN C[C@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCSC1(C)C ZINC001291193534 1063323254 /nfs/dbraw/zinc/32/32/54/1063323254.db2.gz DOUVYUOWBKDNLN-WMZOPIPTSA-N 0 0 454.600 2.927 20 30 JFEDRN CCN(CC)[C@@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C#N)C1)c1ccco1 ZINC001295396530 1063382836 /nfs/dbraw/zinc/38/28/36/1063382836.db2.gz FBFBJPDSGHCJEI-CTNGQTDRSA-N 0 0 498.609 2.753 20 30 JFEDRN CCN(CC)[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C)(C#N)CC1)c1ccco1 ZINC001295407687 1063399785 /nfs/dbraw/zinc/39/97/85/1063399785.db2.gz XOWVWXVVPLQDLF-MOPGFXCFSA-N 0 0 474.631 2.986 20 30 JFEDRN C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)N2CCSCC2)C[C@H](C)S1 ZINC001291217708 1063439588 /nfs/dbraw/zinc/43/95/88/1063439588.db2.gz GYZQBGNCNCTENK-IRXDYDNUSA-N 0 0 492.696 2.526 20 30 JFEDRN C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(CS(C)(=O)=O)CC2)CCN1CC(F)(F)F ZINC001291218341 1063442457 /nfs/dbraw/zinc/44/24/57/1063442457.db2.gz QXGCVFQHWWFHFD-MRXNPFEDSA-N 0 0 496.559 2.714 20 30 JFEDRN C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2CCS(=O)(=O)CC2)C[C@@H](C(F)(F)F)O1 ZINC001291223392 1063464737 /nfs/dbraw/zinc/46/47/37/1063464737.db2.gz GJDTXMIGYRVKAE-KSSFIOAISA-N 0 0 483.516 2.798 20 30 JFEDRN 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C=C(Br)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC001286536171 1060575351 /nfs/dbraw/zinc/57/53/51/1060575351.db2.gz VRJXNILLHURQRU-OAHLLOKOSA-N 0 0 481.782 2.730 20 30 JFEDRN C=C(Br)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@]2(CCOC2)C1 ZINC001286536351 1060576467 /nfs/dbraw/zinc/57/64/67/1060576467.db2.gz YJUQWAOXEQGVDT-HXUWFJFHSA-N 0 0 465.348 2.867 20 30 JFEDRN C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC001286536632 1060576870 /nfs/dbraw/zinc/57/68/70/1060576870.db2.gz QUQMBGOSKUJFOA-MRXNPFEDSA-N 0 0 496.381 2.899 20 30 JFEDRN C=C(Br)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(=O)NC)CC1 ZINC001286537011 1060577802 /nfs/dbraw/zinc/57/78/02/1060577802.db2.gz VEBGYPBLSHIXOZ-CQSZACIVSA-N 0 0 467.343 2.927 20 30 JFEDRN C=C(Br)Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCCO[C@@H](C)C1 ZINC001286538975 1060581682 /nfs/dbraw/zinc/58/16/82/1060581682.db2.gz SBMDHYCOKUNZQJ-AWEZNQCLSA-N 0 0 459.348 2.716 20 30 JFEDRN C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 ZINC001286539196 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C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC001286544404 1060590831 /nfs/dbraw/zinc/59/08/31/1060590831.db2.gz VMUMZTRMJUBNFJ-KRWDZBQOSA-N 0 0 480.329 2.839 20 30 JFEDRN C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2cccc(C)c2)CC1 ZINC001286544292 1060591050 /nfs/dbraw/zinc/59/10/50/1060591050.db2.gz ULYBPWMSRSQEJC-UHFFFAOYSA-N 0 0 459.392 2.944 20 30 JFEDRN C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@](O)(c2ccccc2F)C1 ZINC001286545687 1060592609 /nfs/dbraw/zinc/59/26/09/1060592609.db2.gz AJHVFTPBOYSFJU-REIDKSKDSA-N 0 0 457.550 2.635 20 30 JFEDRN C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001286545779 1060592866 /nfs/dbraw/zinc/59/28/66/1060592866.db2.gz BKTGWONTPPNOCB-OTWHNJEPSA-N 0 0 476.622 2.749 20 30 JFEDRN C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)CCc1ccccc1[N+](=O)[O-] ZINC001286545690 1060593012 /nfs/dbraw/zinc/59/30/12/1060593012.db2.gz AKBOPLINVYUTEZ-AZUAARDMSA-N 0 0 456.547 2.985 20 30 JFEDRN C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]2CCCC[C@H]2C1 ZINC001286545865 1060593330 /nfs/dbraw/zinc/59/33/30/1060593330.db2.gz CHSMLSPGCOLIFM-YHDCXSKOSA-N 0 0 451.637 2.886 20 30 JFEDRN C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CCc1cccs1 ZINC001286546082 1060593822 /nfs/dbraw/zinc/59/38/22/1060593822.db2.gz GBWIGDCEPFQUIV-BQFCYCMXSA-N 0 0 453.634 2.610 20 30 JFEDRN C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 ZINC001286546237 1060595444 /nfs/dbraw/zinc/59/54/44/1060595444.db2.gz HRXGPRNLEVCLKT-GIWBLDEGSA-N 0 0 458.651 2.906 20 30 JFEDRN C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@H](C)c1cccc(O)c1 ZINC001286546348 1060595842 /nfs/dbraw/zinc/59/58/42/1060595842.db2.gz IRJYWTUZZPZPOT-CIWUYKSXSA-N 0 0 463.604 2.773 20 30 JFEDRN C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC001286547813 1060598004 /nfs/dbraw/zinc/59/80/04/1060598004.db2.gz QDMWWMJRLBHIFG-RGQDEETRSA-N 0 0 492.473 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C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCC(=O)NC ZINC001286549580 1060608519 /nfs/dbraw/zinc/60/85/19/1060608519.db2.gz ANBYWWKKTADGDX-DYVFJYSZSA-N 0 0 451.369 2.589 20 30 JFEDRN C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 ZINC001286549462 1060608589 /nfs/dbraw/zinc/60/85/89/1060608589.db2.gz VPPDDUDYEOIDFN-MRXNPFEDSA-N 0 0 451.369 2.965 20 30 JFEDRN C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCN(C(=O)N2CCCCC2)CC1 ZINC001286552913 1060617136 /nfs/dbraw/zinc/61/71/36/1060617136.db2.gz OJIZJPJECBIMIN-FSSWDIPSSA-N 0 0 490.649 2.711 20 30 JFEDRN C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N(C)CC(C)(C)CN1CCOCC1 ZINC001286553074 1060617149 /nfs/dbraw/zinc/61/71/49/1060617149.db2.gz CNRZAXDWFJEREX-FSSWDIPSSA-N 0 0 461.651 2.948 20 30 JFEDRN C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(S(C)(=O)=O)CC1 ZINC001286555494 1060622666 /nfs/dbraw/zinc/62/26/66/1060622666.db2.gz YBZLAAYGWVLOAT-MJGOQNOKSA-N 0 0 497.568 2.609 20 30 JFEDRN C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(CCOC)CC1 ZINC001286555796 1060623510 /nfs/dbraw/zinc/62/35/10/1060623510.db2.gz ZFIALMKATUYPPS-VQIMIIECSA-N 0 0 479.423 2.785 20 30 JFEDRN C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC001286556208 1060625437 /nfs/dbraw/zinc/62/54/37/1060625437.db2.gz BRDBQCGHIUBRGJ-ZJOUEHCJSA-N 0 0 453.653 2.566 20 30 JFEDRN C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC=C(C(F)(F)F)CC1 ZINC001286556463 1060626206 /nfs/dbraw/zinc/62/62/06/1060626206.db2.gz PPDVHKUNESLHQO-ZOBUZTSGSA-N 0 0 460.522 2.860 20 30 JFEDRN C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](C)(OC)CC1 ZINC001286556887 1060627388 /nfs/dbraw/zinc/62/73/88/1060627388.db2.gz RUBPJLVULCMCHK-IWQHBPENSA-N 0 0 452.621 2.557 20 30 JFEDRN C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N(C)CCS(=O)(=O)CC ZINC001286557115 1060628148 /nfs/dbraw/zinc/62/81/48/1060628148.db2.gz HEKGATRPCWPXKF-IIBYNOLFSA-N 0 0 468.570 2.999 20 30 JFEDRN 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